| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.9 | Very low | 69.7 | Low | 209 Ų | 209 | 52.5 Ų | 52.5 | 100% | 1.03 | 25% | 0.253 | S | S | * | . | 0 | 111.7 | 0 | -71.2 | 169.5 | 170.7 | 0 | 0 | 106.6 | |||||
| 2 | K | 42.8 | Very low | 70.7 | Confident | 67 Ų | 67 | 59.3 Ų | 59.3 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | trans | -74.9 | 150.7 | 155.4 | -77.5 | 166 | 156.8 | -73.5 | 0 | 108.3 | D50 E52 | K2-D50 WeakPolarHBondContact CE-OD2 3.35Å; K2-D50 IonicContact NZ-OD1 2.81Å; K2-D50 PolarHBondContact NZ-OD1 2.79Å; K2-D50 IonicContact NZ-OD2 3.28Å; K2-D50 PolarHBondContact NZ-OD2 2.76Å; K2-E52 IonicContact NZ-OE2 3.06Å; K2-E52 PolarHBondContact NZ-OE2 3.38Å | ||
| 3 | L | 53.3 | Low | 71.4 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 137.8 | 167.4 | -75 | 150 | 0 | 0 | 0 | 107.9 | E51 | L3-E51 HydrophobicContact CB-CB 3.98Å; L3-E51 WeakPolarHBondContact CB-OE2 3.42Å; L3-E51 WeakPolarHBondContact CD1-OE2 3.49Å; L3-E51 WeakPolarHBondContact O-CB 3.34Å; L3-E51 PolarHBondContact O-N 3.47Å |
| 4 | V | 61.8 | Low | 72.3 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.2 | -176.1 | -164.8 | 0 | 0 | 0 | 0 | 108.1 | I34 I48 Y49 T79 F80 E82 | V4-I34 HydrophobicContact CG1-CD1 3.56Å; V4-I34 HydrophobicContact CG2-CD1 4.35Å; V4-I48 HydrophobicContact CG1-CG2 3.35Å; V4-Y49 CarbonylContact C-O 3.56Å; V4-Y49 VanDerWaalsContact CG1-O 3.25Å; V4-Y49 WeakPolarHBondContact CG1-O 3.27Å; V4-T79 CarbonylContact O-C 3.6Å; V4-T79 WeakPolarHBondContact O-CA 3.4Å; V4-F80 PolarHBondContact N-O 3.42Å; V4-F80 PolarHBondContact O-N 2.79Å; V4-E82 HydrophobicContact CG2-CB 3.85Å; V4-E82 HydrophobicContact CG2-CG 4.42Å |
| 5 | R | 70 | Confident | 72.8 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 38% | 0.377 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 149.6 | 173.5 | -75.6 | -172.8 | -179 | -162.9 | 4.8 | 110.4 | I48 Y49 E51 G78 T79 | R5-I48 WeakPolarHBondContact O-CA 3.46Å; R5-Y49 HydrophobicContact CB-CE1 4.1Å; R5-Y49 HydrophobicContact CB-CE2 4.11Å; R5-Y49 PolarHBondContact N-O 3.4Å; R5-Y49 PolarHBondContact O-N 3.06Å; R5-Y49 VanDerWaalsContact O-O 3.12Å; R5-E51 HydrophobicContact CG-CB 4.19Å; R5-E51 HydrophobicContact CG-CG 4.2Å; R5-E51 IonicContact CZ-OE1 3.8Å; R5-E51 IonicContact NE-OE1 3.31Å; R5-E51 PolarHBondContact NE-OE1 3.06Å; R5-E51 IonicContact NH2-OE1 3.9Å; R5-E51 PolarHBondContact NH2-OE1 3.47Å; R5-G78 WeakPolarHBondContact CA-O 3.45Å; R5-T79 HydrophobicContact CG-CG2 3.8Å |
| 6 | F | 79 | Confident | 73.5 | Confident | 52 Ų | 52 | 59.2 Ų | 59.2 | 23% | 0.228 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 151.5 | 158.1 | 76.6 | -86.5 | 0 | 0 | 0 | 110.7 | I47 I48 S77 G78 F80 | F6-I47 CarbonylContact C-O 3.54Å; F6-I47 VanDerWaalsContact CA-O 3.22Å; F6-I47 WeakPolarHBondContact CA-O 3.39Å; F6-I48 HydrophobicContact CB-CG1 4Å; F6-S77 VanDerWaalsContact O-CA 3.3Å; F6-S77 WeakPolarHBondContact O-CA 3.24Å; F6-S77 VanDerWaalsContact O-CB 3.27Å; F6-S77 WeakPolarHBondContact O-CB 3.15Å; F6-G78 VanDerWaalsContact CD1-O 3.24Å; F6-G78 WeakPolarHBondContact CD1-O 3.21Å; F6-G78 VanDerWaalsContact CE1-N 3.28Å; F6-G78 PolarHBondContact N-O 3.46Å; F6-G78 VanDerWaalsContact N-O 3.11Å; F6-F80 AromaticContact CD1-CD2 3.86Å; F6-F80 HydrophobicContact CD1-CD2 3.86Å; F6-F80 AromaticContact CD1-CE2 3.45Å; F6-F80 HydrophobicContact CD1-CE2 3.45Å; F6-F80 VanDerWaalsContact CD1-CE2 3.45Å; F6-F80 HydrophobicContact CE1-CD2 4.36Å; F6-F80 AromaticContact CE1-CE2 3.63Å; F6-F80 HydrophobicContact CE1-CE2 3.63Å; F6-F80 HydrophobicContact CE1-CZ 4.32Å; F6-F80 HydrophobicContact CG-CE2 4.42Å |
| 7 | S | 78.2 | Confident | 73.8 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 151.3 | 168.1 | 62.7 | 0 | 0 | 0 | 0 | 110 | I47 | S7-I47 PolarHBondContact N-O 3.33Å; S7-I47 PolarHBondContact O-N 2.84Å |
| 8 | T | 82.1 | Confident | 74.1 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.8 | 168.5 | -57.8 | 0 | 0 | 0 | 0 | 108.5 | R44 A45 F74 | T8-R44 HydrophobicContact CG2-CB 4.23Å; T8-R44 HydrophobicContact CG2-CG 4.16Å; T8-A45 CarbonylContact C-O 3.59Å; T8-A45 WeakPolarHBondContact CA-O 3.46Å; T8-F74 HydrophobicContact CG2-CB 4.36Å; T8-F74 WeakPolarHBondContact O-CA 3.44Å; T8-F74 WeakPolarHBondContact O-CB 3.18Å; T8-F74 PolarHBondContact O-N 3.27Å |
| 9 | I | 88.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128 | 178.2 | -59.1 | -168.5 | 0 | 0 | 0 | 107.7 | I11 R44 A45 I47 L60 A61 A71 | I9-I11 HydrophobicContact CG2-CG1 4.16Å; I9-R44 CarbonylContact O-C 3.59Å; I9-R44 VanDerWaalsContact O-CA 3.29Å; I9-R44 WeakPolarHBondContact O-CA 3.42Å; I9-A45 PolarHBondContact N-O 2.73Å; I9-A45 PolarHBondContact O-N 2.75Å; I9-I47 HydrophobicContact CD1-CD1 3.61Å; I9-I47 HydrophobicContact CG1-CD1 4.11Å; I9-L60 HydrophobicContact CD1-CB 3.44Å; I9-L60 VanDerWaalsContact CD1-CB 3.44Å; I9-A61 HydrophobicContact CD1-CB 4.27Å; I9-A61 HydrophobicContact CG2-CB 4.15Å; I9-A71 HydrophobicContact CG2-CB 4.06Å |
| 10 | S | 88 | Confident | 75.2 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 139.1 | 168.9 | 64.4 | 0 | 0 | 0 | 0 | 109.4 | E43 A71 E72 | S10-E43 CarbonylContact C-O 3.46Å; S10-E43 WeakPolarHBondContact CA-O 3.32Å; S10-A71 WeakPolarHBondContact O-CA 3.3Å; S10-A71 WeakPolarHBondContact O-CB 3.49Å; S10-E72 PolarHBondContact N-O 3.45Å; S10-E72 PolarHBondContact O-N 3.01Å; S10-E72 VanDerWaalsContact O-N 3.13Å; S10-E72 PolarHBondContact OG-O 3.38Å |
| 11 | I | 89.1 | Confident | 75.6 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 109.9 | 179.4 | -52.1 | 177.3 | 0 | 0 | 0 | 109 | I9 M14 I23 I38 E43 A45 V64 F69 E70 A71 | I9-I11 HydrophobicContact CG2-CG1 4.16Å; I11-M14 HydrophobicContact CB-CE 4.03Å; I11-M14 HydrophobicContact CB-SD 4.34Å; I11-M14 HydrophobicContact CG2-CE 4.28Å; I11-M14 HydrophobicContact CG2-CG 3.86Å; I11-M14 HydrophobicContact CG2-SD 4.02Å; I11-I23 HydrophobicContact CD1-CG2 4.27Å; I11-I23 HydrophobicContact CG2-CD1 4.18Å; I11-I38 HydrophobicContact CD1-CD1 4.34Å; I11-E43 PolarHBondContact N-O 3.1Å; I11-E43 WeakPolarHBondContact O-CB 3.41Å; I11-A45 HydrophobicContact CD1-CB 3.58Å; I11-A45 HydrophobicContact CG1-CB 4.39Å; I11-V64 HydrophobicContact CD1-CG1 3.99Å; I11-V64 HydrophobicContact CD1-CG2 4.22Å; I11-V64 HydrophobicContact CG1-CG1 4.14Å; I11-V64 HydrophobicContact CG2-CG1 3.73Å; I11-F69 HydrophobicContact CG2-CB 3.84Å; I11-E70 CarbonylContact C-O 3.58Å; I11-E70 WeakPolarHBondContact CA-O 3.43Å; I11-A71 HydrophobicContact CG1-CB 4.19Å |
| 12 | R | 82.4 | Confident | 78 | Confident | 133 Ų | 133 | 54.3 Ų | 54.3 | 50% | 0.502 | 29% | 0.292 | S | S | . | . | trans | -93.4 | 164.9 | 175.9 | -68.7 | 177.6 | 175.9 | 158.2 | 3.1 | 111.3 | M14 E70 | R12-M14 VanDerWaalsContact C-N 3.27Å; R12-M14 PolarHBondContact O-N 3.17Å; R12-E70 HydrophobicContact CB-CB 4.19Å; R12-E70 PolarHBondContact N-O 3.37Å | ||
| 13 | G | 78.7 | Confident | 80 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | trans | 77.7 | 2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T15 | G13-T15 PolarHBondContact O-N 3.1Š| ||
| 14 | M | 85 | Confident | 81.6 | Confident | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.069 | 27% | 0.266 | C | S | . | . | trans | -71.5 | 106.6 | 170.8 | -65 | -168.7 | -66 | 0 | 0 | 110.3 | I11 R12 C19 V20 I23 I38 L40 F69 | I11-M14 HydrophobicContact CB-CE 4.03Å; I11-M14 HydrophobicContact CB-SD 4.34Å; I11-M14 HydrophobicContact CG2-CE 4.28Å; I11-M14 HydrophobicContact CG2-CG 3.86Å; I11-M14 HydrophobicContact CG2-SD 4.02Å; R12-M14 VanDerWaalsContact C-N 3.27Å; R12-M14 PolarHBondContact O-N 3.17Å; M14-C19 HydrophobicContact CB-CB 4.24Å; M14-C19 HydrophobicContact CG-CB 4.38Å; M14-V20 HydrophobicContact SD-CG2 4.47Å; M14-I23 HydrophobicContact CG-CD1 3.77Å; M14-I23 HydrophobicContact SD-CD1 3.66Å; M14-I38 HydrophobicContact CE-CG2 3.71Å; M14-I38 HydrophobicContact SD-CG2 3.48Å; M14-I38 WeakPolarHBondContact SD-CG2 3.43Å; M14-L40 HydrophobicContact CB-CD1 3.62Å; M14-L40 WeakPolarHBondContact O-CD1 3.49Å; M14-F69 HydrophobicContact CG-CD1 4.2Å; M14-F69 HydrophobicContact CG-CE1 4.49Å | ||
| 15 | T | 79.2 | Confident | 82.5 | Confident | 123 Ų | 123 | 50.9 Ų | 50.9 | 76% | 0.755 | 28% | 0.28 | S | S | * | . | trans | -98.5 | -17.3 | -175.1 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | G13 | G13-T15 PolarHBondContact O-N 3.1Š| ||
| 16 | C | 83.9 | Confident | 83 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 35% | 0.345 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -151.9 | 167.1 | -178.3 | 70.4 | 0 | 0 | 0 | 0 | 112.8 | S18 C19 V20 | C16-S18 PolarHBondContact O-N 3.27Å; C16-S18 VanDerWaalsContact O-N 3.15Å; C16-C19 VanDerWaalsContact O-CB 3.28Å; C16-C19 WeakPolarHBondContact O-CB 3.37Å; C16-C19 PolarHBondContact O-N 2.87Å; C16-V20 PolarHBondContact O-N 3.37Å |
| 17 | N | 79.3 | Confident | 83.2 | Confident | 100 Ų | 100 | 46 Ų | 46 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64 | -19.1 | 179.2 | -153.1 | 64.5 | 0 | 0 | 0 | 113.2 | V20 Q21 | N17-V20 WeakPolarHBondContact O-CB 3.47Å; N17-V20 PolarHBondContact O-N 2.82Å; N17-Q21 WeakPolarHBondContact O-CG 3.24Å; N17-Q21 PolarHBondContact O-N 3.43Å; N17-Q21 VanDerWaalsContact O-N 3.08Å |
| 18 | S | 78.7 | Confident | 83.2 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -73.1 | -29.7 | 172 | -44.6 | 0 | 0 | 0 | 0 | 112.3 | C16 L22 | C16-S18 PolarHBondContact O-N 3.27Å; C16-S18 VanDerWaalsContact O-N 3.15Å; S18-L22 WeakPolarHBondContact O-CB 3.47Å; S18-L22 PolarHBondContact O-N 3.09Å |
| 19 | C | 84.7 | Confident | 82.8 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 10% | 0.101 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 170.6 | -57 | 0 | 0 | 0 | 0 | 110.4 | M14 C16 Q21 L22 I23 F69 | M14-C19 HydrophobicContact CB-CB 4.24Å; M14-C19 HydrophobicContact CG-CB 4.38Å; C16-C19 VanDerWaalsContact O-CB 3.28Å; C16-C19 WeakPolarHBondContact O-CB 3.37Å; C16-C19 PolarHBondContact O-N 2.87Å; C19-Q21 PolarHBondContact O-N 3.26Å; C19-L22 WeakPolarHBondContact O-CB 3.37Å; C19-L22 PolarHBondContact O-N 3.39Å; C19-I23 WeakPolarHBondContact O-CD1 3.18Å; C19-I23 VanDerWaalsContact O-CG1 3.29Å; C19-I23 WeakPolarHBondContact O-CG1 3.14Å; C19-I23 PolarHBondContact O-N 3.19Å; C19-F69 HydrophobicContact CB-CE1 3.85Å; C19-F69 HydrophobicContact CB-CZ 3.83Å |
| 20 | V | 86.1 | Confident | 82.1 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.9 | -55.8 | 175.4 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | M14 C16 N17 L22 I23 E24 I38 L40 | M14-V20 HydrophobicContact SD-CG2 4.47Å; C16-V20 PolarHBondContact O-N 3.37Å; N17-V20 WeakPolarHBondContact O-CB 3.47Å; N17-V20 PolarHBondContact O-N 2.82Å; V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 3.14Å; V20-I23 PolarHBondContact O-N 2.86Å; V20-E24 WeakPolarHBondContact O-CB 3.46Å; V20-E24 WeakPolarHBondContact O-CG 3.29Å; V20-E24 PolarHBondContact O-N 3.16Å; V20-I38 HydrophobicContact CG1-CB 3.82Å; V20-I38 HydrophobicContact CG1-CG2 4.08Å; V20-I38 WeakPolarHBondContact CG1-O 3.48Å; V20-L40 HydrophobicContact CG2-CB 3.83Å; V20-L40 HydrophobicContact CG2-CD1 4Å; V20-L40 HydrophobicContact CG2-CD2 4.46Å; V20-L40 HydrophobicContact CG2-CG 4.32Å |
| 21 | Q | 82.7 | Confident | 81 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 178.7 | -73 | -179.6 | -21.8 | 0 | 0 | 113.2 | N17 C19 S25 | N17-Q21 WeakPolarHBondContact O-CG 3.24Å; N17-Q21 PolarHBondContact O-N 3.43Å; N17-Q21 VanDerWaalsContact O-N 3.08Å; C19-Q21 PolarHBondContact O-N 3.26Å; Q21-S25 WeakPolarHBondContact O-CB 3.5Å; Q21-S25 PolarHBondContact O-N 3.11Å; Q21-S25 PolarHBondContact O-OG 3.27Å |
| 22 | L | 84.4 | Confident | 80.3 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 45% | 0.45 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 177.5 | -179.7 | 65.6 | 0 | 0 | 0 | 110.7 | S18 C19 V20 S25 V26 M67 F69 | S18-L22 WeakPolarHBondContact O-CB 3.47Å; S18-L22 PolarHBondContact O-N 3.09Å; C19-L22 WeakPolarHBondContact O-CB 3.37Å; C19-L22 PolarHBondContact O-N 3.39Å; V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 3.14Å; L22-S25 PolarHBondContact O-N 2.75Å; L22-S25 PolarHBondContact O-OG 3.19Å; L22-V26 PolarHBondContact O-N 3.45Å; L22-M67 HydrophobicContact CD1-CE 4.34Å; L22-M67 HydrophobicContact CD2-CE 4.22Å; L22-M67 HydrophobicContact CG-CE 3.66Å; L22-F69 HydrophobicContact CD2-CE2 4.31Å |
| 23 | I | 85.4 | Confident | 80 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68 | -46.1 | -179.6 | -57.5 | 158.8 | 0 | 0 | 0 | 110.6 | I11 M14 C19 V20 S25 V26 I27 I38 V64 M67 F69 | I11-I23 HydrophobicContact CD1-CG2 4.27Å; I11-I23 HydrophobicContact CG2-CD1 4.18Å; M14-I23 HydrophobicContact CG-CD1 3.77Å; M14-I23 HydrophobicContact SD-CD1 3.66Å; C19-I23 WeakPolarHBondContact O-CD1 3.18Å; C19-I23 VanDerWaalsContact O-CG1 3.29Å; C19-I23 WeakPolarHBondContact O-CG1 3.14Å; C19-I23 PolarHBondContact O-N 3.19Å; V20-I23 PolarHBondContact O-N 2.86Å; I23-S25 PolarHBondContact O-N 2.84Å; I23-V26 PolarHBondContact O-N 2.71Å; I23-I27 HydrophobicContact CG2-CD1 3.62Å; I23-I27 HydrophobicContact CG2-CG1 4Å; I23-I27 PolarHBondContact O-N 2.89Å; I23-I38 HydrophobicContact CB-CD1 3.72Å; I23-I38 HydrophobicContact CG2-CD1 3.42Å; I23-I38 VanDerWaalsContact CG2-CD1 3.42Å; I23-V64 HydrophobicContact CG2-CG1 4.34Å; I23-V64 HydrophobicContact CG2-CG2 3.94Å; I23-M67 HydrophobicContact CG1-CE 4.22Å; I23-F69 HydrophobicContact CD1-CB 4.48Å; I23-F69 HydrophobicContact CD1-CD1 4.29Å; I23-F69 HydrophobicContact CD1-CD2 3.66Å; I23-F69 HydrophobicContact CD1-CE1 4.46Å; I23-F69 HydrophobicContact CD1-CE2 3.86Å; I23-F69 HydrophobicContact CD1-CG 3.89Å; I23-F69 HydrophobicContact CD1-CZ 4.26Å; I23-F69 HydrophobicContact CG1-CD2 3.77Å; I23-F69 HydrophobicContact CG1-CE2 3.78Å; I23-F69 HydrophobicContact CG1-CG 4.49Å |
| 24 | E | 86.5 | Confident | 79.7 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 24% | 0.238 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -53.7 | -40.1 | 172.3 | -76.4 | -178.4 | 163.9 | 0 | 0 | 111.3 | V20 V26 N28 V36 I38 | V20-E24 WeakPolarHBondContact O-CB 3.46Å; V20-E24 WeakPolarHBondContact O-CG 3.29Å; V20-E24 PolarHBondContact O-N 3.16Å; E24-V26 VanDerWaalsContact C-N 3.25Å; E24-V26 PolarHBondContact O-N 3.32Å; E24-N28 VanDerWaalsContact O-CB 3.26Å; E24-N28 WeakPolarHBondContact O-CB 3.22Å; E24-N28 PolarHBondContact O-N 3.32Å; E24-N28 PolarHBondContact O-ND2 3.46Å; E24-V36 HydrophobicContact CG-CG1 4.33Å; E24-I38 HydrophobicContact CG-CB 4.06Å; E24-I38 HydrophobicContact CG-CD1 3.73Å; E24-I38 HydrophobicContact CG-CG1 3.64Å; E24-I38 PolarHBondContact OE1-N 3.04Å; E24-I38 VanDerWaalsContact OE1-N 3.11Å |
| 25 | S | 80.1 | Confident | 79.4 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 34% | 0.336 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -72.1 | -12 | 179.7 | 85.2 | 0 | 0 | 0 | 0 | 114.9 | Q21 L22 I23 K29 | Q21-S25 WeakPolarHBondContact O-CB 3.5Å; Q21-S25 PolarHBondContact O-N 3.11Å; Q21-S25 PolarHBondContact O-OG 3.27Å; L22-S25 PolarHBondContact O-N 2.75Å; L22-S25 PolarHBondContact O-OG 3.19Å; I23-S25 PolarHBondContact O-N 2.84Å; S25-K29 VanDerWaalsContact O-CD 3.25Å; S25-K29 WeakPolarHBondContact O-CD 3.29Å; S25-K29 WeakPolarHBondContact O-CE 3.36Å; S25-K29 WeakPolarHBondContact O-CG 3.39Å; S25-K29 PolarHBondContact O-NZ 2.79Å |
| 26 | V | 81.1 | Confident | 79.5 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 30% | 0.297 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -105.1 | -44.5 | 179 | 172.6 | 0 | 0 | 0 | 0 | 111 | L22 I23 E24 N28 K29 M67 | L22-V26 PolarHBondContact O-N 3.45Å; I23-V26 PolarHBondContact O-N 2.71Å; E24-V26 VanDerWaalsContact C-N 3.25Å; E24-V26 PolarHBondContact O-N 3.32Å; V26-N28 PolarHBondContact O-N 3.24Å; V26-K29 WeakPolarHBondContact O-CB 3.33Å; V26-K29 PolarHBondContact O-N 2.94Å; V26-M67 HydrophobicContact CB-CE 3.86Å; V26-M67 HydrophobicContact CB-SD 3.62Å; V26-M67 HydrophobicContact CG1-CE 4.41Å; V26-M67 HydrophobicContact CG1-SD 3.65Å; V26-M67 HydrophobicContact CG2-CE 3.55Å; V26-M67 HydrophobicContact CG2-SD 3.93Å |
| 27 | I | 83 | Confident | 79.4 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 176.7 | -53.6 | 179.3 | 0 | 0 | 0 | 110.4 | I23 K29 Q30 V33 V36 I38 I47 L60 V64 | I23-I27 HydrophobicContact CG2-CD1 3.62Å; I23-I27 HydrophobicContact CG2-CG1 4Å; I23-I27 PolarHBondContact O-N 2.89Å; I27-K29 PolarHBondContact O-N 2.93Å; I27-Q30 PolarHBondContact O-N 3.5Å; I27-V33 HydrophobicContact CG2-CG1 4.34Å; I27-V33 HydrophobicContact CG2-CG2 4.43Å; I27-V36 HydrophobicContact CB-CG1 4.28Å; I27-V36 HydrophobicContact CB-CG2 3.89Å; I27-V36 HydrophobicContact CD1-CG1 4.34Å; I27-V36 HydrophobicContact CG2-CG1 4.38Å; I27-V36 HydrophobicContact CG2-CG2 3.51Å; I27-I38 HydrophobicContact CD1-CD1 4.33Å; I27-I47 HydrophobicContact CD1-CD1 3.9Å; I27-I47 HydrophobicContact CG2-CD1 3.98Å; I27-I47 HydrophobicContact CG2-CG1 4.28Å; I27-I47 HydrophobicContact CG2-CG2 4.2Å; I27-L60 HydrophobicContact CG2-CD2 4.03Å; I27-V64 HydrophobicContact CD1-CG2 3.64Å; I27-V64 HydrophobicContact CG1-CG2 4.2Å |
| 28 | N | 79.2 | Confident | 79.8 | Confident | 80 Ų | 80 | 55.8 Ų | 55.8 | 43% | 0.428 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -5.9 | 174.2 | -74.7 | -60.7 | 0 | 0 | 0 | 114.4 | E24 V26 V36 | E24-N28 VanDerWaalsContact O-CB 3.26Å; E24-N28 WeakPolarHBondContact O-CB 3.22Å; E24-N28 PolarHBondContact O-N 3.32Å; E24-N28 PolarHBondContact O-ND2 3.46Å; V26-N28 PolarHBondContact O-N 3.24Å; N28-V36 WeakPolarHBondContact OD1-CG2 3.45Å |
| 29 | K | 72.9 | Confident | 79.9 | Confident | 140 Ų | 140 | 54.1 Ų | 54.1 | 61% | 0.609 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -11.6 | 172.4 | -69.2 | 177.7 | -172.9 | 125.9 | 0 | 113.3 | S25 V26 I27 | S25-K29 VanDerWaalsContact O-CD 3.25Å; S25-K29 WeakPolarHBondContact O-CD 3.29Å; S25-K29 WeakPolarHBondContact O-CE 3.36Å; S25-K29 WeakPolarHBondContact O-CG 3.39Å; S25-K29 PolarHBondContact O-NZ 2.79Å; V26-K29 WeakPolarHBondContact O-CB 3.33Å; V26-K29 PolarHBondContact O-N 2.94Å; I27-K29 PolarHBondContact O-N 2.93Å |
| 30 | Q | 73.8 | Confident | 79.8 | Confident | 57 Ų | 57 | 56.6 Ų | 56.6 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -68.7 | 137.8 | 174.3 | -70.6 | -158.3 | -22.9 | 0 | 0 | 110.2 | I27 V33 A63 | I27-Q30 PolarHBondContact O-N 3.5Å; Q30-V33 HydrophobicContact CB-CG2 3.89Å; Q30-V33 PolarHBondContact O-N 3.01Å; Q30-A63 VanDerWaalsContact NE2-CB 3.31Å |
| 31 | F | 65.2 | Low | 79.3 | Confident | 171 Ų | 171 | 66.2 Ų | 66.2 | 75% | 0.75 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 143.6 | -179.7 | -154.4 | -101 | 0 | 0 | 0 | 109.4 | V33 I55 | F31-V33 PolarHBondContact O-N 2.79Å; F31-V33 VanDerWaalsContact O-N 3.12Å; F31-I55 WeakPolarHBondContact O-CD1 3.26Å |
| 32 | N | 73.2 | Confident | 79.1 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 28% | 0.283 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 2.9 | -177 | -55.8 | -21.8 | 0 | 0 | 0 | 117.8 | Y49 D50 S53 | N32-Y49 WeakPolarHBondContact O-CA 3.38Å; N32-D50 HydrophobicContact CB-CB 4.09Å; N32-D50 PolarHBondContact O-N 3.3Å; N32-D50 VanDerWaalsContact O-N 3.12Å; N32-S53 VanDerWaalsContact ND2-CB 3.28Å; N32-S53 WeakPolarHBondContact ND2-CB 3.47Å |
| 33 | V | 76.3 | Confident | 79.1 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.024 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 140.5 | 160.6 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | I27 Q30 F31 V36 I47 L60 K86 | I27-V33 HydrophobicContact CG2-CG1 4.34Å; I27-V33 HydrophobicContact CG2-CG2 4.43Å; Q30-V33 HydrophobicContact CB-CG2 3.89Å; Q30-V33 PolarHBondContact O-N 3.01Å; F31-V33 PolarHBondContact O-N 2.79Å; F31-V33 VanDerWaalsContact O-N 3.12Å; V33-V36 HydrophobicContact CG1-CG2 3.64Å; V33-I47 HydrophobicContact CG1-CG2 4.13Å; V33-L60 HydrophobicContact CG2-CD2 4.09Å; V33-K86 PolarHBondContact O-NZ 3.42Å |
| 34 | I | 74 | Confident | 79 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -43.8 | -175.5 | -67.7 | 158.3 | 0 | 0 | 0 | 111.1 | V4 I48 | V4-I34 HydrophobicContact CG1-CD1 3.56Å; V4-I34 HydrophobicContact CG2-CD1 4.35Å; I34-I48 PolarHBondContact N-O 2.88Å |
| 35 | F | 77 | Confident | 78.9 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 145.9 | -179.6 | 175.3 | -96 | 0 | 0 | 0 | 111.5 | N37 I47 I48 | F35-N37 HydrophobicContact CE1-CB 3.59Å; F35-N37 HydrophobicContact CZ-CB 3.73Å; F35-I47 WeakPolarHBondContact O-CA 3.34Å; F35-I48 HydrophobicContact CB-CB 4.14Å; F35-I48 HydrophobicContact CB-CD1 4.19Å; F35-I48 HydrophobicContact CB-CG1 4.4Å; F35-I48 HydrophobicContact CD1-CD1 3.77Å; F35-I48 HydrophobicContact CD1-CG1 4.19Å; F35-I48 HydrophobicContact CG-CD1 4.35Å; F35-I48 PolarHBondContact N-O 3.49Å; F35-I48 PolarHBondContact O-N 3.23Å |
| 36 | V | 83 | Confident | 79.1 | Confident | 9 Ų | 9 | 68 Ų | 68 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 134 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | E24 I27 N28 V33 I38 I46 I47 | E24-V36 HydrophobicContact CG-CG1 4.33Å; I27-V36 HydrophobicContact CB-CG1 4.28Å; I27-V36 HydrophobicContact CB-CG2 3.89Å; I27-V36 HydrophobicContact CD1-CG1 4.34Å; I27-V36 HydrophobicContact CG2-CG1 4.38Å; I27-V36 HydrophobicContact CG2-CG2 3.51Å; N28-V36 WeakPolarHBondContact OD1-CG2 3.45Å; V33-V36 HydrophobicContact CG1-CG2 3.64Å; V36-I38 HydrophobicContact CG1-CD1 4.03Å; V36-I38 HydrophobicContact CG1-CG1 3.81Å; V36-I46 WeakPolarHBondContact CA-O 3.49Å; V36-I47 HydrophobicContact CG1-CG1 4.3Å; V36-I47 HydrophobicContact CG2-CG1 4.47Å; V36-I47 HydrophobicContact CG2-CG2 4.32Å |
| 37 | N | 81.3 | Confident | 79.3 | Confident | 78 Ų | 78 | 65.6 Ų | 65.6 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 120 | 174.2 | 174.6 | 24.2 | 0 | 0 | 0 | 109.3 | F35 A45 I46 | F35-N37 HydrophobicContact CE1-CB 3.59Å; F35-N37 HydrophobicContact CZ-CB 3.73Å; N37-A45 WeakPolarHBondContact O-CA 2.97Å; N37-I46 PolarHBondContact N-O 2.58Å; N37-I46 PolarHBondContact O-N 3.21Å |
| 38 | I | 87.5 | Confident | 79.2 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 5% | 0.046 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.4 | -173.4 | -54.5 | -170.7 | 0 | 0 | 0 | 111.1 | I11 M14 V20 I23 E24 I27 V36 A45 | I11-I38 HydrophobicContact CD1-CD1 4.34Å; M14-I38 HydrophobicContact CE-CG2 3.71Å; M14-I38 HydrophobicContact SD-CG2 3.48Å; M14-I38 WeakPolarHBondContact SD-CG2 3.43Å; V20-I38 HydrophobicContact CG1-CB 3.82Å; V20-I38 HydrophobicContact CG1-CG2 4.08Å; V20-I38 WeakPolarHBondContact CG1-O 3.48Å; I23-I38 HydrophobicContact CB-CD1 3.72Å; I23-I38 HydrophobicContact CG2-CD1 3.42Å; I23-I38 VanDerWaalsContact CG2-CD1 3.42Å; E24-I38 HydrophobicContact CG-CB 4.06Å; E24-I38 HydrophobicContact CG-CD1 3.73Å; E24-I38 HydrophobicContact CG-CG1 3.64Å; E24-I38 PolarHBondContact OE1-N 3.04Å; E24-I38 VanDerWaalsContact OE1-N 3.11Å; I27-I38 HydrophobicContact CD1-CD1 4.33Å; V36-I38 HydrophobicContact CG1-CD1 4.03Å; V36-I38 HydrophobicContact CG1-CG1 3.81Å; I38-A45 HydrophobicContact CD1-CB 4.15Å; I38-A45 HydrophobicContact CG1-CB 3.74Å |
| 39 | S | 79.8 | Confident | 79.3 | Confident | 44 Ų | 44 | 64 Ų | 64 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 101.1 | -178 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | K41 S42 E43 R44 | S39-K41 PolarHBondContact O-N 3.34Å; S39-S42 WeakPolarHBondContact CB-OG 3.43Å; S39-S42 PolarHBondContact O-N 3.4Å; S39-S42 VanDerWaalsContact O-N 3.15Å; S39-S42 PolarHBondContact OG-N 3.22Å; S39-S42 PolarHBondContact OG-OG 3Å; S39-E43 PolarHBondContact O-N 3.09Å; S39-E43 VanDerWaalsContact O-N 3.08Å; S39-R44 PolarHBondContact N-O 2.78Å |
| 40 | L | 83 | Confident | 79.5 | Confident | 67 Ų | 67 | 58 Ų | 58 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.7 | 171.8 | -170.7 | 66.6 | 0 | 0 | 0 | 112.8 | M14 V20 S42 | M14-L40 HydrophobicContact CB-CD1 3.62Å; M14-L40 WeakPolarHBondContact O-CD1 3.49Å; V20-L40 HydrophobicContact CG2-CB 3.83Å; V20-L40 HydrophobicContact CG2-CD1 4Å; V20-L40 HydrophobicContact CG2-CD2 4.46Å; V20-L40 HydrophobicContact CG2-CG 4.32Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 3.43Å |
| 41 | K | 76.9 | Confident | 79.2 | Confident | 208 Ų | 208 | 58.1 Ų | 58.1 | 90% | 0.904 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -20.8 | -178 | -173.4 | 179.6 | 174.4 | -168.7 | 0 | 113.1 | S39 | S39-K41 PolarHBondContact O-N 3.34Š|
| 42 | S | 77.9 | Confident | 79 | Confident | 59 Ų | 59 | 57 Ų | 57 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 11.7 | -174.2 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | S39 L40 R44 | S39-S42 WeakPolarHBondContact CB-OG 3.43Å; S39-S42 PolarHBondContact O-N 3.4Å; S39-S42 VanDerWaalsContact O-N 3.15Å; S39-S42 PolarHBondContact OG-N 3.22Å; S39-S42 PolarHBondContact OG-OG 3Å; L40-S42 VanDerWaalsContact C-N 3.32Å; L40-S42 PolarHBondContact O-N 3.43Å; S42-R44 VanDerWaalsContact O-CG 3.29Å; S42-R44 WeakPolarHBondContact O-CG 3.24Å; S42-R44 PolarHBondContact O-N 3.23Å; S42-R44 VanDerWaalsContact O-N 3.11Å |
| 43 | E | 85.1 | Confident | 78.4 | Confident | 93 Ų | 93 | 55.3 Ų | 55.3 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 42.2 | 179.2 | -63 | -168.9 | 155.9 | 0 | 0 | 113.3 | S10 I11 S39 | S10-E43 CarbonylContact C-O 3.46Å; S10-E43 WeakPolarHBondContact CA-O 3.32Å; I11-E43 PolarHBondContact N-O 3.1Å; I11-E43 WeakPolarHBondContact O-CB 3.41Å; S39-E43 PolarHBondContact O-N 3.09Å; S39-E43 VanDerWaalsContact O-N 3.08Å |
| 44 | R | 82.8 | Confident | 77.9 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.2 | -175.3 | -74.9 | 170.3 | -167.5 | -163.9 | 0.1 | 112.2 | T8 I9 S39 S42 | T8-R44 HydrophobicContact CG2-CB 4.23Å; T8-R44 HydrophobicContact CG2-CG 4.16Å; I9-R44 CarbonylContact O-C 3.59Å; I9-R44 VanDerWaalsContact O-CA 3.29Å; I9-R44 WeakPolarHBondContact O-CA 3.42Å; S39-R44 PolarHBondContact N-O 2.78Å; S42-R44 VanDerWaalsContact O-CG 3.29Å; S42-R44 WeakPolarHBondContact O-CG 3.24Å; S42-R44 PolarHBondContact O-N 3.23Å; S42-R44 VanDerWaalsContact O-N 3.11Å |
| 45 | A | 84.8 | Confident | 77.8 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T8 I9 I11 N37 I38 I47 | T8-A45 CarbonylContact C-O 3.59Å; T8-A45 WeakPolarHBondContact CA-O 3.46Å; I9-A45 PolarHBondContact N-O 2.73Å; I9-A45 PolarHBondContact O-N 2.75Å; I11-A45 HydrophobicContact CD1-CB 3.58Å; I11-A45 HydrophobicContact CG1-CB 4.39Å; N37-A45 WeakPolarHBondContact O-CA 2.97Å; I38-A45 HydrophobicContact CD1-CB 4.15Å; I38-A45 HydrophobicContact CG1-CB 3.74Å; A45-I47 HydrophobicContact CB-CG1 4.35Å |
| 46 | I | 83.3 | Confident | 77.9 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.2 | 165.2 | -61.5 | 169.6 | 0 | 0 | 0 | 106.8 | V36 N37 | V36-I46 WeakPolarHBondContact CA-O 3.49Å; N37-I46 PolarHBondContact N-O 2.58Å; N37-I46 PolarHBondContact O-N 3.21Å |
| 47 | I | 85.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.9 | -175.6 | -56.4 | 166.8 | 0 | 0 | 0 | 108.8 | F6 S7 I9 I27 V33 F35 V36 A45 Y49 L60 | F6-I47 CarbonylContact C-O 3.54Å; F6-I47 VanDerWaalsContact CA-O 3.22Å; F6-I47 WeakPolarHBondContact CA-O 3.39Å; S7-I47 PolarHBondContact N-O 3.33Å; S7-I47 PolarHBondContact O-N 2.84Å; I9-I47 HydrophobicContact CD1-CD1 3.61Å; I9-I47 HydrophobicContact CG1-CD1 4.11Å; I27-I47 HydrophobicContact CD1-CD1 3.9Å; I27-I47 HydrophobicContact CG2-CD1 3.98Å; I27-I47 HydrophobicContact CG2-CG1 4.28Å; I27-I47 HydrophobicContact CG2-CG2 4.2Å; V33-I47 HydrophobicContact CG1-CG2 4.13Å; F35-I47 WeakPolarHBondContact O-CA 3.34Å; V36-I47 HydrophobicContact CG1-CG1 4.3Å; V36-I47 HydrophobicContact CG2-CG1 4.47Å; V36-I47 HydrophobicContact CG2-CG2 4.32Å; A45-I47 HydrophobicContact CB-CG1 4.35Å; I47-Y49 HydrophobicContact CG2-CD1 4.35Å; I47-L60 HydrophobicContact CB-CD1 4.47Å; I47-L60 HydrophobicContact CD1-CB 4.21Å; I47-L60 HydrophobicContact CD1-CD1 4.25Å; I47-L60 HydrophobicContact CD1-CD2 4.38Å; I47-L60 HydrophobicContact CG2-CD1 3.92Å; I47-L60 HydrophobicContact CG2-CD2 4.28Å |
| 48 | I | 80.5 | Confident | 77.7 | Confident | 39 Ų | 39 | 61 Ų | 61 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129 | 179.4 | -55.4 | 178.6 | 0 | 0 | 0 | 108.4 | V4 R5 F6 I34 F35 | V4-I48 HydrophobicContact CG1-CG2 3.35Å; R5-I48 WeakPolarHBondContact O-CA 3.46Å; F6-I48 HydrophobicContact CB-CG1 4Å; I34-I48 PolarHBondContact N-O 2.88Å; F35-I48 HydrophobicContact CB-CB 4.14Å; F35-I48 HydrophobicContact CB-CD1 4.19Å; F35-I48 HydrophobicContact CB-CG1 4.4Å; F35-I48 HydrophobicContact CD1-CD1 3.77Å; F35-I48 HydrophobicContact CD1-CG1 4.19Å; F35-I48 HydrophobicContact CG-CD1 4.35Å; F35-I48 PolarHBondContact N-O 3.49Å; F35-I48 PolarHBondContact O-N 3.23Å |
| 49 | Y | 80.9 | Confident | 77.5 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 154.1 | -170.3 | 62.9 | -80 | 0 | 0 | 0 | 112.4 | V4 R5 N32 I47 I55 L60 | V4-Y49 CarbonylContact C-O 3.56Å; V4-Y49 VanDerWaalsContact CG1-O 3.25Å; V4-Y49 WeakPolarHBondContact CG1-O 3.27Å; R5-Y49 HydrophobicContact CB-CE1 4.1Å; R5-Y49 HydrophobicContact CB-CE2 4.11Å; R5-Y49 PolarHBondContact N-O 3.4Å; R5-Y49 PolarHBondContact O-N 3.06Å; R5-Y49 VanDerWaalsContact O-O 3.12Å; N32-Y49 WeakPolarHBondContact O-CA 3.38Å; I47-Y49 HydrophobicContact CG2-CD1 4.35Å; Y49-I55 WeakPolarHBondContact CE2-O 3.4Å; Y49-L60 HydrophobicContact CD1-CD1 4.09Å; Y49-L60 HydrophobicContact CE1-CD1 4.12Å |
| 50 | D | 78 | Confident | 77.8 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 130.2 | -176.8 | -168.8 | -12.4 | 0 | 0 | 0 | 112.1 | K2 N32 E52 S53 | K2-D50 WeakPolarHBondContact CE-OD2 3.35Å; K2-D50 IonicContact NZ-OD1 2.81Å; K2-D50 PolarHBondContact NZ-OD1 2.79Å; K2-D50 IonicContact NZ-OD2 3.28Å; K2-D50 PolarHBondContact NZ-OD2 2.76Å; N32-D50 HydrophobicContact CB-CB 4.09Å; N32-D50 PolarHBondContact O-N 3.3Å; N32-D50 VanDerWaalsContact O-N 3.12Å; D50-E52 PolarHBondContact O-N 3.44Å; D50-E52 PolarHBondContact OD1-N 2.97Å; D50-E52 VanDerWaalsContact OD1-N 3.15Å; D50-S53 VanDerWaalsContact O-CB 3.32Å; D50-S53 WeakPolarHBondContact O-CB 3.29Å; D50-S53 PolarHBondContact O-N 3.45Å; D50-S53 VanDerWaalsContact O-N 3.14Å; D50-S53 PolarHBondContact O-OG 3Å |
| 51 | E | 67.7 | Low | 77.9 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24 | 179.9 | -175.1 | 164.2 | -141 | 0 | 0 | 112.5 | L3 R5 S53 T79 | L3-E51 HydrophobicContact CB-CB 3.98Å; L3-E51 WeakPolarHBondContact CB-OE2 3.42Å; L3-E51 WeakPolarHBondContact CD1-OE2 3.49Å; L3-E51 WeakPolarHBondContact O-CB 3.34Å; L3-E51 PolarHBondContact O-N 3.47Å; R5-E51 HydrophobicContact CG-CB 4.19Å; R5-E51 HydrophobicContact CG-CG 4.2Å; R5-E51 IonicContact CZ-OE1 3.8Å; R5-E51 IonicContact NE-OE1 3.31Å; R5-E51 PolarHBondContact NE-OE1 3.06Å; R5-E51 IonicContact NH2-OE1 3.9Å; R5-E51 PolarHBondContact NH2-OE1 3.47Å; E51-S53 PolarHBondContact O-N 3.4Å; E51-T79 WeakPolarHBondContact OE2-CG2 3.42Å |
| 52 | E | 60.7 | Low | 78.3 | Confident | 148 Ų | 148 | 50.5 Ų | 50.5 | 69% | 0.692 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | 2.6 | 174.5 | -63.9 | -176.6 | 159.3 | 0 | 0 | 113.1 | K2 D50 | K2-E52 IonicContact NZ-OE2 3.06Å; K2-E52 PolarHBondContact NZ-OE2 3.38Å; D50-E52 PolarHBondContact O-N 3.44Å; D50-E52 PolarHBondContact OD1-N 2.97Å; D50-E52 VanDerWaalsContact OD1-N 3.15Å |
| 53 | S | 60.9 | Low | 78.6 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 12% | 0.119 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -92.8 | 143.8 | 179.3 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | N32 D50 E51 I55 | N32-S53 VanDerWaalsContact ND2-CB 3.28Å; N32-S53 WeakPolarHBondContact ND2-CB 3.47Å; D50-S53 VanDerWaalsContact O-CB 3.32Å; D50-S53 WeakPolarHBondContact O-CB 3.29Å; D50-S53 PolarHBondContact O-N 3.45Å; D50-S53 VanDerWaalsContact O-N 3.14Å; D50-S53 PolarHBondContact O-OG 3Å; E51-S53 PolarHBondContact O-N 3.4Å; S53-I55 PolarHBondContact O-N 2.73Å |
| 54 | S | 65.3 | Low | 78.7 | Confident | 121 Ų | 121 | 43.9 Ų | 43.9 | 85% | 0.846 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -75.5 | 29.9 | 175.7 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 55 | I | 72.3 | Confident | 78.8 | Confident | 26 Ų | 26 | 41.9 Ų | 41.9 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | trans | -101.8 | 109 | -177.3 | -64.9 | -178.2 | 0 | 0 | 0 | 108.5 | F31 Y49 S53 L60 | F31-I55 WeakPolarHBondContact O-CD1 3.26Å; Y49-I55 WeakPolarHBondContact CE2-O 3.4Å; S53-I55 PolarHBondContact O-N 2.73Å; I55-L60 HydrophobicContact CG2-CD1 3.87Å; I55-L60 HydrophobicContact CG2-CD2 4.02Å; I55-L60 HydrophobicContact CG2-CG 3.61Å | ||
| 56 | T | 78.8 | Confident | 78.7 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | trans | -87.8 | 157.2 | 172.4 | 75.9 | 0 | 0 | 0 | 0 | 110 | E58 C59 L60 | T56-E58 WeakPolarHBondContact CB-OE2 3.17Å; T56-E58 PolarHBondContact O-N 2.83Å; T56-E58 PolarHBondContact OG1-OE2 2.73Å; T56-C59 VanDerWaalsContact O-CB 3.29Å; T56-C59 WeakPolarHBondContact O-CB 3.39Å; T56-C59 PolarHBondContact O-N 3.26Å; T56-C59 PolarHBondContact OG1-N 2.9Å; T56-L60 PolarHBondContact O-N 2.66Å | ||
| 57 | P | 78.3 | Confident | 78.5 | Confident | 29 Ų | 29 | 47.5 Ų | 47.5 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65 | -24.8 | 178.6 | 28.6 | -35.8 | 0 | 0 | 0 | 112.8 | C59 L60 A61 P73 | P57-C59 VanDerWaalsContact C-N 3.32Å; P57-L60 PolarHBondContact O-N 3.19Å; P57-A61 WeakPolarHBondContact O-CB 3.35Å; P57-A61 PolarHBondContact O-N 3.32Å; P57-P73 HydrophobicContact CB-CB 3.86Å; P57-P73 HydrophobicContact CG-CB 4.39Å |
| 58 | E | 82.4 | Confident | 78.2 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.2 | -34.3 | 169.8 | -48.3 | 75.9 | -165.7 | 0 | 0 | 111.5 | T56 A61 A62 P73 | T56-E58 WeakPolarHBondContact CB-OE2 3.17Å; T56-E58 PolarHBondContact O-N 2.83Å; T56-E58 PolarHBondContact OG1-OE2 2.73Å; E58-A61 PolarHBondContact O-N 3.14Å; E58-A62 VanDerWaalsContact O-CB 3.25Å; E58-A62 WeakPolarHBondContact O-CB 3.03Å; E58-A62 PolarHBondContact O-N 3.36Å; E58-P73 HydrophobicContact CG-CG 4.35Å |
| 59 | C | 83.5 | Confident | 78.5 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 178 | -166.2 | 0 | 0 | 0 | 0 | 111.7 | T56 P57 A62 A63 | T56-C59 VanDerWaalsContact O-CB 3.29Å; T56-C59 WeakPolarHBondContact O-CB 3.39Å; T56-C59 PolarHBondContact O-N 3.26Å; T56-C59 PolarHBondContact OG1-N 2.9Å; P57-C59 VanDerWaalsContact C-N 3.32Å; C59-A62 PolarHBondContact O-N 2.89Å; C59-A63 PolarHBondContact O-N 3.48Å |
| 60 | L | 84.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 172.4 | -71.3 | 164.9 | 0 | 0 | 0 | 111.6 | I9 I27 V33 I47 Y49 I55 T56 P57 A63 V64 | I9-L60 HydrophobicContact CD1-CB 3.44Å; I9-L60 VanDerWaalsContact CD1-CB 3.44Å; I27-L60 HydrophobicContact CG2-CD2 4.03Å; V33-L60 HydrophobicContact CG2-CD2 4.09Å; I47-L60 HydrophobicContact CB-CD1 4.47Å; I47-L60 HydrophobicContact CD1-CB 4.21Å; I47-L60 HydrophobicContact CD1-CD1 4.25Å; I47-L60 HydrophobicContact CD1-CD2 4.38Å; I47-L60 HydrophobicContact CG2-CD1 3.92Å; I47-L60 HydrophobicContact CG2-CD2 4.28Å; Y49-L60 HydrophobicContact CD1-CD1 4.09Å; Y49-L60 HydrophobicContact CE1-CD1 4.12Å; I55-L60 HydrophobicContact CG2-CD1 3.87Å; I55-L60 HydrophobicContact CG2-CD2 4.02Å; I55-L60 HydrophobicContact CG2-CG 3.61Å; T56-L60 PolarHBondContact O-N 2.66Å; P57-L60 PolarHBondContact O-N 3.19Å; L60-A63 WeakPolarHBondContact O-CB 3.45Å; L60-A63 PolarHBondContact O-N 3.18Å; L60-V64 PolarHBondContact O-N 3.25Å |
| 61 | A | 86.5 | Confident | 79.1 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I9 P57 E58 A63 V64 N65 A71 | I9-A61 HydrophobicContact CD1-CB 4.27Å; I9-A61 HydrophobicContact CG2-CB 4.15Å; P57-A61 WeakPolarHBondContact O-CB 3.35Å; P57-A61 PolarHBondContact O-N 3.32Å; E58-A61 PolarHBondContact O-N 3.14Å; A61-A63 VanDerWaalsContact C-N 3.28Å; A61-A63 PolarHBondContact O-N 3.4Å; A61-V64 PolarHBondContact O-N 3.46Å; A61-V64 VanDerWaalsContact O-N 3.08Å; A61-N65 PolarHBondContact O-N 3.37Å; A61-N65 PolarHBondContact O-ND2 3.44Å; A61-A71 HydrophobicContact CB-CB 4.47Å |
| 62 | A | 84.4 | Confident | 79.9 | Confident | 43 Ų | 43 | 58.7 Ų | 58.7 | 36% | 0.355 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -36.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E58 C59 V64 N65 N66 | E58-A62 VanDerWaalsContact O-CB 3.25Å; E58-A62 WeakPolarHBondContact O-CB 3.03Å; E58-A62 PolarHBondContact O-N 3.36Å; C59-A62 PolarHBondContact O-N 2.89Å; A62-V64 VanDerWaalsContact C-N 3.29Å; A62-V64 PolarHBondContact O-N 3.36Å; A62-N65 PolarHBondContact O-N 3.42Å; A62-N66 WeakPolarHBondContact O-CB 3.46Å; A62-N66 PolarHBondContact O-N 3.36Å; A62-N66 PolarHBondContact O-ND2 2.97Å; A62-N66 VanDerWaalsContact O-ND2 3.15Å |
| 63 | A | 84.3 | Confident | 80.8 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -35.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q30 C59 L60 A61 M67 | Q30-A63 VanDerWaalsContact NE2-CB 3.31Å; C59-A63 PolarHBondContact O-N 3.48Å; L60-A63 WeakPolarHBondContact O-CB 3.45Å; L60-A63 PolarHBondContact O-N 3.18Å; A61-A63 VanDerWaalsContact C-N 3.28Å; A61-A63 PolarHBondContact O-N 3.4Å; A63-M67 WeakPolarHBondContact O-CG 3.45Å |
| 64 | V | 85.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.9 | -41.3 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | I11 I23 I27 L60 A61 A62 N66 M67 F69 A71 | I11-V64 HydrophobicContact CD1-CG1 3.99Å; I11-V64 HydrophobicContact CD1-CG2 4.22Å; I11-V64 HydrophobicContact CG1-CG1 4.14Å; I11-V64 HydrophobicContact CG2-CG1 3.73Å; I23-V64 HydrophobicContact CG2-CG1 4.34Å; I23-V64 HydrophobicContact CG2-CG2 3.94Å; I27-V64 HydrophobicContact CD1-CG2 3.64Å; I27-V64 HydrophobicContact CG1-CG2 4.2Å; L60-V64 PolarHBondContact O-N 3.25Å; A61-V64 PolarHBondContact O-N 3.46Å; A61-V64 VanDerWaalsContact O-N 3.08Å; A62-V64 VanDerWaalsContact C-N 3.29Å; A62-V64 PolarHBondContact O-N 3.36Å; V64-N66 VanDerWaalsContact C-N 3.27Å; V64-N66 PolarHBondContact O-N 3.07Å; V64-M67 WeakPolarHBondContact O-CA 3.42Å; V64-M67 WeakPolarHBondContact O-CB 3.48Å; V64-M67 PolarHBondContact O-N 2.93Å; V64-F69 CarbonylContact C-O 3.53Å; V64-F69 HydrophobicContact CG1-CB 3.86Å; V64-A71 HydrophobicContact CB-CB 3.7Å; V64-A71 HydrophobicContact CG1-CB 3.64Å |
| 65 | N | 85.2 | Confident | 80.6 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.4 | -41.3 | 172.5 | -74.2 | -63.8 | 0 | 0 | 0 | 111.7 | A61 A62 M67 G68 F69 E70 A71 | A61-N65 PolarHBondContact O-N 3.37Å; A61-N65 PolarHBondContact O-ND2 3.44Å; A62-N65 PolarHBondContact O-N 3.42Å; N65-M67 PolarHBondContact O-N 3Å; N65-M67 VanDerWaalsContact O-N 3.12Å; N65-G68 PolarHBondContact O-N 2.91Å; N65-F69 VanDerWaalsContact CA-O 3.28Å; N65-F69 WeakPolarHBondContact CA-O 3.33Å; N65-F69 PolarHBondContact N-O 2.77Å; N65-F69 PolarHBondContact OD1-O 3.12Å; N65-E70 WeakPolarHBondContact OD1-CA 3.04Å; N65-A71 PolarHBondContact ND2-O 3.31Å; N65-A71 PolarHBondContact OD1-N 3.18Å |
| 66 | N | 82.8 | Confident | 79.4 | Confident | 143 Ų | 143 | 65.5 Ų | 65.5 | 77% | 0.765 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.2 | 174.9 | -72.9 | -29.3 | 0 | 0 | 0 | 114.3 | A62 V64 | A62-N66 WeakPolarHBondContact O-CB 3.46Å; A62-N66 PolarHBondContact O-N 3.36Å; A62-N66 PolarHBondContact O-ND2 2.97Å; A62-N66 VanDerWaalsContact O-ND2 3.15Å; V64-N66 VanDerWaalsContact C-N 3.27Å; V64-N66 PolarHBondContact O-N 3.07Å |
| 67 | M | 79.2 | Confident | 77.9 | Confident | 48 Ų | 48 | 65.8 Ų | 65.8 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -0.6 | 172.1 | -60.9 | 178.3 | 66.7 | 0 | 0 | 113.4 | L22 I23 V26 A63 V64 N65 F69 | L22-M67 HydrophobicContact CD1-CE 4.34Å; L22-M67 HydrophobicContact CD2-CE 4.22Å; L22-M67 HydrophobicContact CG-CE 3.66Å; I23-M67 HydrophobicContact CG1-CE 4.22Å; V26-M67 HydrophobicContact CB-CE 3.86Å; V26-M67 HydrophobicContact CB-SD 3.62Å; V26-M67 HydrophobicContact CG1-CE 4.41Å; V26-M67 HydrophobicContact CG1-SD 3.65Å; V26-M67 HydrophobicContact CG2-CE 3.55Å; V26-M67 HydrophobicContact CG2-SD 3.93Å; A63-M67 WeakPolarHBondContact O-CG 3.45Å; V64-M67 WeakPolarHBondContact O-CA 3.42Å; V64-M67 WeakPolarHBondContact O-CB 3.48Å; V64-M67 PolarHBondContact O-N 2.93Å; N65-M67 PolarHBondContact O-N 3Å; N65-M67 VanDerWaalsContact O-N 3.12Å; M67-F69 HydrophobicContact CB-CD2 3.93Å; M67-F69 HydrophobicContact CB-CE2 4.27Å |
| 68 | G | 79 | Confident | 76.7 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 20.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N65 | N65-G68 PolarHBondContact O-N 2.91Š|
| 69 | F | 86.4 | Confident | 74.8 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | trans | -118.2 | 122.3 | 173.6 | -57.7 | -81.3 | 0 | 0 | 0 | 109.5 | I11 M14 C19 L22 I23 V64 N65 M67 A71 | I11-F69 HydrophobicContact CG2-CB 3.84Å; M14-F69 HydrophobicContact CG-CD1 4.2Å; M14-F69 HydrophobicContact CG-CE1 4.49Å; C19-F69 HydrophobicContact CB-CE1 3.85Å; C19-F69 HydrophobicContact CB-CZ 3.83Å; L22-F69 HydrophobicContact CD2-CE2 4.31Å; I23-F69 HydrophobicContact CD1-CB 4.48Å; I23-F69 HydrophobicContact CD1-CD1 4.29Å; I23-F69 HydrophobicContact CD1-CD2 3.66Å; I23-F69 HydrophobicContact CD1-CE1 4.46Å; I23-F69 HydrophobicContact CD1-CE2 3.86Å; I23-F69 HydrophobicContact CD1-CG 3.89Å; I23-F69 HydrophobicContact CD1-CZ 4.26Å; I23-F69 HydrophobicContact CG1-CD2 3.77Å; I23-F69 HydrophobicContact CG1-CE2 3.78Å; I23-F69 HydrophobicContact CG1-CG 4.49Å; V64-F69 CarbonylContact C-O 3.53Å; V64-F69 HydrophobicContact CG1-CB 3.86Å; N65-F69 VanDerWaalsContact CA-O 3.28Å; N65-F69 WeakPolarHBondContact CA-O 3.33Å; N65-F69 PolarHBondContact N-O 2.77Å; N65-F69 PolarHBondContact OD1-O 3.12Å; M67-F69 HydrophobicContact CB-CD2 3.93Å; M67-F69 HydrophobicContact CB-CE2 4.27Å; F69-A71 PolarHBondContact O-N 3.44Å | ||
| 70 | E | 85 | Confident | 73 | Confident | 132 Ų | 132 | 67.4 Ų | 67.4 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | trans | -61.5 | 122.3 | 178.1 | -71.3 | 174.5 | -176.9 | 0 | 0 | 110.3 | I11 R12 N65 | I11-E70 CarbonylContact C-O 3.58Å; I11-E70 WeakPolarHBondContact CA-O 3.43Å; R12-E70 HydrophobicContact CB-CB 4.19Å; R12-E70 PolarHBondContact N-O 3.37Å; N65-E70 WeakPolarHBondContact OD1-CA 3.04Å | ||
| 71 | A | 87.6 | Confident | 70.7 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 5% | 0.05 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 135.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | I9 S10 I11 A61 V64 N65 F69 | I9-A71 HydrophobicContact CG2-CB 4.06Å; S10-A71 WeakPolarHBondContact O-CA 3.3Å; S10-A71 WeakPolarHBondContact O-CB 3.49Å; I11-A71 HydrophobicContact CG1-CB 4.19Å; A61-A71 HydrophobicContact CB-CB 4.47Å; V64-A71 HydrophobicContact CB-CB 3.7Å; V64-A71 HydrophobicContact CG1-CB 3.64Å; N65-A71 PolarHBondContact ND2-O 3.31Å; N65-A71 PolarHBondContact OD1-N 3.18Å; F69-A71 PolarHBondContact O-N 3.44Å |
| 72 | E | 84.4 | Confident | 68.4 | Low | 124 Ų | 124 | 75.6 Ų | 75.6 | 58% | 0.579 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 137.9 | -178.9 | -58.6 | -179.4 | 140.7 | 0 | 0 | 110.8 | S10 | S10-E72 PolarHBondContact N-O 3.45Å; S10-E72 PolarHBondContact O-N 3.01Å; S10-E72 VanDerWaalsContact O-N 3.13Å; S10-E72 PolarHBondContact OG-O 3.38Å |
| 73 | P | 79.2 | Confident | 65.9 | Low | 36 Ų | 36 | 78 Ų | 78 | 23% | 0.234 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 132.2 | 178.4 | 31.2 | -34.3 | 0 | 0 | 0 | 111.4 | P57 E58 | P57-P73 HydrophobicContact CB-CB 3.86Å; P57-P73 HydrophobicContact CG-CB 4.39Å; E58-P73 HydrophobicContact CG-CG 4.35Å |
| 74 | F | 69.2 | Low | 63.6 | Low | 95 Ų | 95 | 81.2 Ų | 81.2 | 42% | 0.417 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.4 | 178.2 | -156.2 | -94.2 | 0 | 0 | 0 | 109 | T8 E76 | T8-F74 HydrophobicContact CG2-CB 4.36Å; T8-F74 WeakPolarHBondContact O-CA 3.44Å; T8-F74 WeakPolarHBondContact O-CB 3.18Å; T8-F74 PolarHBondContact O-N 3.27Å; F74-E76 PolarHBondContact O-N 3.01Å |
| 75 | Y | 52.6 | Low | 61.3 | Low | 192 Ų | 192 | 87.2 Ų | 87.2 | 75% | 0.753 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -77.1 | 61.5 | -169.1 | -83.3 | -85.9 | 0 | 0 | 0 | 114.5 | ||
| 76 | E | 48.3 | Very low | 58.8 | Low | 132 Ų | 132 | 90.7 Ų | 90.7 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | trans | -127.8 | 114.3 | 155.4 | -73.6 | -171.8 | 127.9 | 0 | 0 | 108.7 | F74 | F74-E76 PolarHBondContact O-N 3.01Š| ||
| 77 | S | 47.7 | Very low | 56.3 | Low | 75 Ų | 75 | 89.1 Ų | 89.1 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | trans | -137.7 | 127.2 | 177.8 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | F6 | F6-S77 VanDerWaalsContact O-CA 3.3Å; F6-S77 WeakPolarHBondContact O-CA 3.24Å; F6-S77 VanDerWaalsContact O-CB 3.27Å; F6-S77 WeakPolarHBondContact O-CB 3.15Å | ||
| 78 | G | 52.7 | Low | 54 | Low | 27 Ų | 27 | 91.7 Ų | 91.7 | 28% | 0.278 | 50% | 0.501 | S | S | . | . | trans | -127.6 | 166.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | R5 F6 | R5-G78 WeakPolarHBondContact CA-O 3.45Å; F6-G78 VanDerWaalsContact CD1-O 3.24Å; F6-G78 WeakPolarHBondContact CD1-O 3.21Å; F6-G78 VanDerWaalsContact CE1-N 3.28Å; F6-G78 PolarHBondContact N-O 3.46Å; F6-G78 VanDerWaalsContact N-O 3.11Å | ||
| 79 | T | 42.3 | Very low | 52.2 | Low | 74 Ų | 74 | 90.8 Ų | 90.8 | 45% | 0.454 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 140 | 179.8 | 44.3 | 0 | 0 | 0 | 0 | 112.1 | V4 R5 E51 | V4-T79 CarbonylContact O-C 3.6Å; V4-T79 WeakPolarHBondContact O-CA 3.4Å; R5-T79 HydrophobicContact CG-CG2 3.8Å; E51-T79 WeakPolarHBondContact OE2-CG2 3.42Å |
| 80 | F | 44.6 | Very low | 50 | Low | 109 Ų | 109 | 97.5 Ų | 97.5 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.6 | 174.8 | -71.3 | -71.6 | 0 | 0 | 0 | 110.8 | V4 F6 | V4-F80 PolarHBondContact N-O 3.42Å; V4-F80 PolarHBondContact O-N 2.79Å; F6-F80 AromaticContact CD1-CD2 3.86Å; F6-F80 HydrophobicContact CD1-CD2 3.86Å; F6-F80 AromaticContact CD1-CE2 3.45Å; F6-F80 HydrophobicContact CD1-CE2 3.45Å; F6-F80 VanDerWaalsContact CD1-CE2 3.45Å; F6-F80 HydrophobicContact CE1-CD2 4.36Å; F6-F80 AromaticContact CE1-CE2 3.63Å; F6-F80 HydrophobicContact CE1-CE2 3.63Å; F6-F80 HydrophobicContact CE1-CZ 4.32Å; F6-F80 HydrophobicContact CG-CE2 4.42Å |
| 81 | P | 36.6 | Very low | 48.2 | Very low | 84 Ų | 84 | 93.9 Ų | 93.9 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 141.5 | 167.1 | 32 | -32.9 | 0 | 0 | 0 | 111.3 | ||
| 82 | E | 39.3 | Very low | 46.5 | Very low | 90 Ų | 90 | 97.3 Ų | 97.3 | 42% | 0.421 | 53% | 0.527 | S | S | . | . | trans | -72.2 | 126.7 | -172.8 | -177.4 | -179.1 | -145.8 | 0 | 0 | 115.1 | V4 | V4-E82 HydrophobicContact CG2-CB 3.85Å; V4-E82 HydrophobicContact CG2-CG 4.42Å | ||
| 83 | C | 32.4 | Very low | 45.8 | Very low | 94 Ų | 94 | 95.8 Ų | 95.8 | 64% | 0.635 | 52% | 0.52 | S | S | * | . | trans | -156.7 | 67.8 | 163.6 | -91.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 84 | L | 35.3 | Very low | 45.5 | Very low | 80 Ų | 80 | 95 Ų | 95 | 42% | 0.419 | 52% | 0.515 | S | S | . | . | trans | -151.2 | 108.1 | 178.3 | -112.1 | 162.1 | 0 | 0 | 0 | 111.2 | V121 | L84-V121 HydrophobicContact CD1-CG1 3.94Å; L84-V121 HydrophobicContact CG-CG1 4.11Å | ||
| 85 | D | 36.8 | Very low | 45.7 | Very low | 126 Ų | 126 | 91.6 Ų | 91.6 | 67% | 0.674 | 50% | 0.503 | S | S | * | . | trans | -87.9 | 149.9 | 177.3 | -156.8 | -18.2 | 0 | 0 | 0 | 111.3 | T87 | D85-T87 PolarHBondContact O-N 2.76Š| ||
| 86 | K | 32.8 | Very low | 47 | Very low | 144 Ų | 144 | 82.5 Ų | 82.5 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -76.7 | 20.9 | -163 | -70.4 | -167.5 | 166.2 | -167.6 | 0 | 115.2 | V33 | V33-K86 PolarHBondContact O-NZ 3.42Š|
| 87 | T | 30.9 | Very low | 48.5 | Very low | 110 Ų | 110 | 79.6 Ų | 79.6 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -133.3 | 112.7 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | D85 | D85-T87 PolarHBondContact O-N 2.76Š|
| 88 | S | 30.3 | Very low | 49.9 | Very low | 102 Ų | 102 | 76 Ų | 76 | 71% | 0.713 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 77.3 | 143.9 | 168.8 | 83.3 | 0 | 0 | 0 | 0 | 118.8 | ||
| 89 | G | 41.1 | Very low | 50.6 | Low | 50 Ų | 50 | 78.3 Ų | 78.3 | 52% | 0.515 | 43% | 0.432 | S | S | . | . | trans | 99.1 | 136.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 90 | K | 40.4 | Very low | 51.6 | Low | 166 Ų | 166 | 80.9 Ų | 80.9 | 72% | 0.722 | 44% | 0.443 | S | S | * | . | trans | -76.6 | 143.7 | 151.4 | -67.9 | -175.2 | 174.9 | -170.5 | 0 | 107.6 | F92 | K90-F92 HydrophobicContact CB-CE2 4.39Å; K90-F92 WeakPolarHBondContact O-CD2 3.43Å; K90-F92 VanDerWaalsContact O-CE2 3.29Å; K90-F92 WeakPolarHBondContact O-CE2 3.45Å | ||
| 91 | A | 48.7 | Very low | 52.3 | Low | 55 Ų | 55 | 75.9 Ų | 75.9 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | trans | -70.7 | 141.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V121 | A91-V121 HydrophobicContact CB-CG2 4.44Š| ||
| 92 | F | 51.7 | Low | 53 | Low | 78 Ų | 78 | 79 Ų | 79 | 34% | 0.342 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142 | 174.9 | -68 | -98.3 | 0 | 0 | 0 | 108.7 | K90 W135 H136 Q138 | K90-F92 HydrophobicContact CB-CE2 4.39Å; K90-F92 WeakPolarHBondContact O-CD2 3.43Å; K90-F92 VanDerWaalsContact O-CE2 3.29Å; K90-F92 WeakPolarHBondContact O-CE2 3.45Å; F92-W135 CarbonylContact O-C 3Å; F92-W135 VanDerWaalsContact O-CA 3.3Å; F92-W135 WeakPolarHBondContact O-CA 3.37Å; F92-H136 PolarHBondContact N-O 3.11Å; F92-H136 PolarHBondContact O-N 2.97Å; F92-Q138 HydrophobicContact CD2-CB 4.2Å; F92-Q138 HydrophobicContact CE2-CB 3.67Å; F92-Q138 HydrophobicContact CE2-CG 3.75Å; F92-Q138 HydrophobicContact CZ-CB 4.41Å; F92-Q138 HydrophobicContact CZ-CG 3.99Å |
| 93 | E | 68.3 | Low | 53.9 | Low | 92 Ų | 92 | 77.8 Ų | 77.8 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.5 | 179.3 | -172.6 | 178 | 139.7 | 0 | 0 | 110.5 | I134 W135 | E93-I134 CarbonylContact C-O 3.58Å; E93-I134 WeakPolarHBondContact CA-O 3.04Å; E93-W135 VanDerWaalsContact CD-NE1 3.32Å; E93-W135 HydrophobicContact CG-CZ2 4.21Å; E93-W135 PolarHBondContact OE2-NE1 2.98Å |
| 94 | T | 73 | Confident | 55.1 | Low | 19 Ų | 19 | 79 Ų | 79 | 12% | 0.117 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 116.6 | 175.9 | -69.7 | 0 | 0 | 0 | 0 | 109.3 | L96 I134 H136 T142 L145 | T94-L96 HydrophobicContact CG2-CD2 3.87Å; T94-L96 HydrophobicContact CG2-CG 4.2Å; T94-I134 PolarHBondContact N-O 2.91Å; T94-I134 PolarHBondContact O-N 2.66Å; T94-H136 PolarHBondContact OG1-NE2 2.76Å; T94-T142 HydrophobicContact CG2-CG2 4.04Å; T94-L145 HydrophobicContact CG2-CD1 3.86Å |
| 95 | C | 74.8 | Confident | 56.2 | Low | 25 Ų | 25 | 80.7 Ų | 80.7 | 17% | 0.169 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 117.5 | 175.8 | -41.2 | 0 | 0 | 0 | 0 | 110.6 | K159 | C95-K159 PolarHBondContact O-N 2.95Å; C95-K159 VanDerWaalsContact O-N 3.15Å |
| 96 | L | 79.6 | Confident | 57.5 | Low | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.9 | 173 | -58.1 | -178.7 | 0 | 0 | 0 | 110 | T94 V98 T131 L132 I134 L145 I146 I149 A156 T158 | T94-L96 HydrophobicContact CG2-CD2 3.87Å; T94-L96 HydrophobicContact CG2-CG 4.2Å; L96-V98 HydrophobicContact CB-CG2 4.27Å; L96-T131 CarbonylContact O-C 3.46Å; L96-T131 VanDerWaalsContact O-CA 3.27Å; L96-T131 WeakPolarHBondContact O-CA 3.42Å; L96-L132 PolarHBondContact N-O 3.38Å; L96-L132 PolarHBondContact O-N 2.94Å; L96-I134 HydrophobicContact CD1-CD1 3.9Å; L96-I134 HydrophobicContact CG-CD1 4.45Å; L96-L145 HydrophobicContact CD1-CB 4.03Å; L96-I146 HydrophobicContact CD1-CG1 4.46Å; L96-I146 HydrophobicContact CD2-CG1 4.17Å; L96-I149 HydrophobicContact CD1-CD1 3.41Å; L96-I149 VanDerWaalsContact CD1-CD1 3.41Å; L96-A156 HydrophobicContact CD1-CB 4.33Å; L96-T158 HydrophobicContact CD2-CG2 3.57Å |
| 97 | H | 79.4 | Confident | 59.1 | Low | 71 Ų | 71 | 71.3 Ų | 71.3 | 33% | 0.329 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 135.5 | 162.5 | -176.9 | -87.9 | 0 | 0 | 0 | 108.6 | S130 T131 A156 I157 | H97-S130 PolarHBondContact CD2-O 3.14Å; H97-T131 HydrophobicContact CB-CG2 4.43Å; H97-A156 CarbonylContact O-C 3.49Å; H97-A156 WeakPolarHBondContact O-CA 3.22Å; H97-I157 PolarHBondContact N-O 3.14Å; H97-I157 PolarHBondContact O-N 2.99Å |
| 98 | V | 76.6 | Confident | 60.9 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 119.3 | -172.2 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | L96 L101 S130 L132 I149 F154 A156 | L96-V98 HydrophobicContact CB-CG2 4.27Å; V98-L101 HydrophobicContact CB-CD1 4.2Å; V98-S130 PolarHBondContact N-O 3.08Å; V98-L132 HydrophobicContact CG2-CB 4.17Å; V98-L132 HydrophobicContact CG2-CD2 4.47Å; V98-I149 HydrophobicContact CG1-CG2 4.43Å; V98-F154 HydrophobicContact CG1-CB 3.6Å; V98-F154 HydrophobicContact CG1-CG 4.29Å; V98-A156 HydrophobicContact CG2-CB 4.08Å |
| 99 | E | 68.8 | Low | 62.9 | Low | 75 Ų | 75 | 70.4 Ų | 70.4 | 35% | 0.35 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 143.5 | 178.9 | -68.3 | 172.1 | -163.5 | 0 | 0 | 111.1 | K155 | E99-K155 VanDerWaalsContact CD-CD 3.42Å; E99-K155 HydrophobicContact CG-CD 4.45Å; E99-K155 PolarHBondContact N-O 2.88Å; E99-K155 VanDerWaalsContact N-O 3.14Å; E99-K155 IonicContact OE1-NZ 2.73Å; E99-K155 PolarHBondContact OE1-NZ 2.81Å; E99-K155 WeakPolarHBondContact OE2-CD 3.43Å; E99-K155 IonicContact OE2-NZ 2.83Å; E99-K155 PolarHBondContact OE2-NZ 2.95Å |
| 100 | D | 62.6 | Low | 64.4 | Low | 129 Ų | 129 | 68 Ų | 68 | 69% | 0.69 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 35.8 | 177.2 | -61.8 | -25.9 | 0 | 0 | 0 | 118.5 | I102 | D100-I102 PolarHBondContact O-N 3.43Š|
| 101 | L | 59.7 | Low | 65.8 | Low | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 37.9 | 178.8 | -134 | 173.9 | 0 | 0 | 0 | 115 | V98 C106 I110 I125 | V98-L101 HydrophobicContact CB-CD1 4.2Å; L101-C106 HydrophobicContact CD2-CB 4.1Å; L101-I110 HydrophobicContact CD1-CD1 4.23Å; L101-I110 HydrophobicContact CD2-CD1 4.27Å; L101-I110 HydrophobicContact CG-CD1 4.2Å; L101-I125 HydrophobicContact CD1-CG2 4.07Å; L101-I125 HydrophobicContact CD2-CG2 3.46Å; L101-I125 VanDerWaalsContact CD2-CG2 3.46Å; L101-I125 HydrophobicContact CG-CG2 4.45Å |
| 102 | I | 50.8 | Low | 66.8 | Low | 150 Ų | 150 | 68 Ų | 68 | 77% | 0.769 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -19.5 | -167.5 | -60.6 | 175.9 | 0 | 0 | 0 | 113.5 | D100 | D100-I102 PolarHBondContact O-N 3.43Š|
| 103 | S | 59 | Low | 67.7 | Low | 65 Ų | 65 | 65.5 Ų | 65.5 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -95.8 | 148.6 | -179.6 | 94.5 | 0 | 0 | 0 | 0 | 114.4 | N105 C106 | S103-N105 PolarHBondContact O-N 3.23Å; S103-C106 WeakPolarHBondContact O-CB 3.4Å; S103-C106 PolarHBondContact O-N 2.9Å; S103-C106 PolarHBondContact O-SG 2.9Å; S103-C106 PolarHBondContact OG-SG 3.5Å |
| 104 | T | 55.8 | Low | 67.8 | Low | 119 Ų | 119 | 61.1 Ų | 61.1 | 73% | 0.73 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.1 | -28.6 | 176.4 | 46.4 | 0 | 0 | 0 | 0 | 113.6 | C106 | T104-C106 VanDerWaalsContact C-N 3.26Å; T104-C106 PolarHBondContact O-N 3.31Å |
| 105 | N | 58.8 | Low | 67.5 | Low | 116 Ų | 116 | 64.2 Ų | 64.2 | 62% | 0.62 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -76.7 | -4.6 | 175.7 | -79.5 | -25.4 | 0 | 0 | 0 | 114 | S103 R109 | S103-N105 PolarHBondContact O-N 3.23Å; N105-R109 WeakPolarHBondContact O-CD 3.12Å; N105-R109 WeakPolarHBondContact O-CG 3.28Å |
| 106 | C | 64.1 | Low | 66.8 | Low | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.7 | -41.8 | 175.8 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | L101 S103 T104 D108 R109 I110 F154 | L101-C106 HydrophobicContact CD2-CB 4.1Å; S103-C106 WeakPolarHBondContact O-CB 3.4Å; S103-C106 PolarHBondContact O-N 2.9Å; S103-C106 PolarHBondContact O-SG 2.9Å; S103-C106 PolarHBondContact OG-SG 3.5Å; T104-C106 VanDerWaalsContact C-N 3.26Å; T104-C106 PolarHBondContact O-N 3.31Å; C106-D108 PolarHBondContact O-N 3.45Å; C106-R109 PolarHBondContact O-N 2.76Å; C106-I110 WeakPolarHBondContact O-CG1 3.5Å; C106-I110 PolarHBondContact O-N 2.73Å; C106-F154 HydrophobicContact CB-CE1 4.08Å; C106-F154 HydrophobicContact CB-CE2 4.37Å; C106-F154 HydrophobicContact CB-CZ 3.62Å |
| 107 | E | 66.9 | Low | 66 | Low | 68 Ų | 68 | 69.6 Ų | 69.6 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -56.9 | -51.6 | -178.7 | -172.1 | 151.9 | -130.9 | 0 | 0 | 110.7 | R109 I110 N111 I125 K127 | E107-R109 PolarHBondContact O-N 3.47Å; E107-R109 VanDerWaalsContact O-N 3.17Å; E107-I110 PolarHBondContact O-N 2.78Å; E107-I110 VanDerWaalsContact O-N 3.15Å; E107-N111 WeakPolarHBondContact O-CB 3.43Å; E107-N111 PolarHBondContact O-N 2.98Å; E107-N111 PolarHBondContact O-OD1 3.27Å; E107-I125 HydrophobicContact CB-CD1 4.12Å; E107-I125 HydrophobicContact CG-CD1 3.83Å; E107-K127 IonicContact OE1-NZ 2.63Å; E107-K127 PolarHBondContact OE1-NZ 2.97Å; E107-K127 IonicContact OE2-NZ 3.33Å; E107-K127 PolarHBondContact OE2-NZ 3.24Å |
| 108 | D | 67.8 | Low | 65 | Low | 82 Ų | 82 | 70.8 Ų | 70.8 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.8 | -20.5 | -178.5 | -145.1 | 53.6 | 0 | 0 | 0 | 114.5 | C106 R112 | C106-D108 PolarHBondContact O-N 3.45Å; D108-R112 WeakPolarHBondContact O-CG 3.34Å; D108-R112 PolarHBondContact O-NE 3.39Å; D108-R112 IonicContact OD2-CZ 3.5Å; D108-R112 IonicContact OD2-NE 3.64Å; D108-R112 IonicContact OD2-NH2 2.65Å; D108-R112 PolarHBondContact OD2-NH2 2.88Å |
| 109 | R | 72.4 | Confident | 64.2 | Low | 111 Ų | 111 | 73.8 Ų | 73.8 | 42% | 0.419 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -83 | -43.7 | 171.9 | -75.3 | 169.1 | 62.7 | -173.2 | -2.9 | 111.9 | N105 C106 E107 R112 S113 S152 F154 | N105-R109 WeakPolarHBondContact O-CD 3.12Å; N105-R109 WeakPolarHBondContact O-CG 3.28Å; C106-R109 PolarHBondContact O-N 2.76Å; E107-R109 PolarHBondContact O-N 3.47Å; E107-R109 VanDerWaalsContact O-N 3.17Å; R109-R112 PolarHBondContact O-N 3.43Å; R109-S113 WeakPolarHBondContact O-CB 2.92Å; R109-S113 PolarHBondContact O-N 2.93Å; R109-S113 VanDerWaalsContact O-N 3.1Å; R109-S113 PolarHBondContact O-OG 3.18Å; R109-S152 PolarHBondContact NH2-O 3.01Å; R109-F154 HydrophobicContact CB-CE2 4.11Å |
| 110 | I | 72.7 | Confident | 63.9 | Low | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 176.3 | -69.2 | 166.7 | 0 | 0 | 0 | 109.2 | L101 C106 E107 R112 S113 L114 F123 I125 L132 F154 | L101-I110 HydrophobicContact CD1-CD1 4.23Å; L101-I110 HydrophobicContact CD2-CD1 4.27Å; L101-I110 HydrophobicContact CG-CD1 4.2Å; C106-I110 WeakPolarHBondContact O-CG1 3.5Å; C106-I110 PolarHBondContact O-N 2.73Å; E107-I110 PolarHBondContact O-N 2.78Å; E107-I110 VanDerWaalsContact O-N 3.15Å; I110-R112 PolarHBondContact O-N 3.46Å; I110-S113 PolarHBondContact O-N 3.28Å; I110-S113 VanDerWaalsContact O-N 3.1Å; I110-L114 HydrophobicContact CG2-CD1 3.63Å; I110-L114 HydrophobicContact CG2-CG 4.16Å; I110-L114 WeakPolarHBondContact O-CB 3.45Å; I110-L114 WeakPolarHBondContact O-CG 3.39Å; I110-L114 PolarHBondContact O-N 3.31Å; I110-F123 HydrophobicContact CG2-CE2 4.27Å; I110-I125 HydrophobicContact CB-CD1 4.34Å; I110-I125 HydrophobicContact CD1-CD1 4.28Å; I110-I125 HydrophobicContact CG2-CD1 4.19Å; I110-L132 HydrophobicContact CG2-CD1 4Å; I110-L132 HydrophobicContact CG2-CD2 4.04Å; I110-F154 HydrophobicContact CG1-CD2 4.26Å; I110-F154 HydrophobicContact CG1-CE2 4.31Å |
| 111 | N | 71.5 | Confident | 63.5 | Low | 56 Ų | 56 | 67 Ų | 67 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -52.5 | -51.9 | 176.1 | -64.3 | 1 | 0 | 0 | 0 | 112 | E107 S113 A115 F123 | E107-N111 WeakPolarHBondContact O-CB 3.43Å; E107-N111 PolarHBondContact O-N 2.98Å; E107-N111 PolarHBondContact O-OD1 3.27Å; N111-S113 VanDerWaalsContact C-N 3.29Å; N111-S113 PolarHBondContact O-N 3.45Å; N111-A115 VanDerWaalsContact O-CB 3.25Å; N111-A115 WeakPolarHBondContact O-CB 3.38Å; N111-A115 PolarHBondContact O-N 2.81Å; N111-F123 HydrophobicContact CB-CZ 4.25Å; N111-F123 WeakPolarHBondContact OD1-CE2 3.44Å; N111-F123 WeakPolarHBondContact OD1-CZ 3.29Å |
| 112 | R | 69.4 | Low | 63.8 | Low | 166 Ų | 166 | 69.8 Ų | 69.8 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.6 | -28.8 | 179.7 | -81.3 | -176.6 | -96.2 | -178.6 | -13.3 | 114 | D108 R109 I110 C116 | D108-R112 WeakPolarHBondContact O-CG 3.34Å; D108-R112 PolarHBondContact O-NE 3.39Å; D108-R112 IonicContact OD2-CZ 3.5Å; D108-R112 IonicContact OD2-NE 3.64Å; D108-R112 IonicContact OD2-NH2 2.65Å; D108-R112 PolarHBondContact OD2-NH2 2.88Å; R109-R112 PolarHBondContact O-N 3.43Å; I110-R112 PolarHBondContact O-N 3.46Å; R112-C116 PolarHBondContact O-SG 2.71Å |
| 113 | S | 69.6 | Low | 64.9 | Low | 24 Ų | 24 | 65.1 Ų | 65.1 | 17% | 0.168 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -79.9 | -46.9 | -180 | -52.5 | 0 | 0 | 0 | 0 | 111 | R109 I110 N111 A115 C116 C148 S152 | R109-S113 WeakPolarHBondContact O-CB 2.92Å; R109-S113 PolarHBondContact O-N 2.93Å; R109-S113 VanDerWaalsContact O-N 3.1Å; R109-S113 PolarHBondContact O-OG 3.18Å; I110-S113 PolarHBondContact O-N 3.28Å; I110-S113 VanDerWaalsContact O-N 3.1Å; N111-S113 VanDerWaalsContact C-N 3.29Å; N111-S113 PolarHBondContact O-N 3.45Å; S113-A115 VanDerWaalsContact C-N 3.31Å; S113-A115 PolarHBondContact O-N 3.32Å; S113-C116 WeakPolarHBondContact O-CB 3.41Å; S113-C116 PolarHBondContact O-N 3.08Å; S113-C116 VanDerWaalsContact O-N 3.13Å; S113-C148 PolarHBondContact O-SG 2.87Å; S113-S152 WeakPolarHBondContact OG-CB 3.45Å |
| 114 | L | 70.2 | Confident | 65.6 | Low | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.1 | -31.7 | 176.9 | -67.7 | -179.6 | 0 | 0 | 0 | 112.6 | I110 C116 L117 L120 F123 L132 I134 I149 | I110-L114 HydrophobicContact CG2-CD1 3.63Å; I110-L114 HydrophobicContact CG2-CG 4.16Å; I110-L114 WeakPolarHBondContact O-CB 3.45Å; I110-L114 WeakPolarHBondContact O-CG 3.39Å; I110-L114 PolarHBondContact O-N 3.31Å; L114-C116 PolarHBondContact O-N 3.5Å; L114-L117 HydrophobicContact CD2-CD1 4.01Å; L114-L117 PolarHBondContact O-N 3.37Å; L114-L120 HydrophobicContact CB-CD2 3.8Å; L114-F123 HydrophobicContact CB-CD1 4.27Å; L114-F123 HydrophobicContact CB-CE1 4.08Å; L114-F123 HydrophobicContact CD1-CB 4.09Å; L114-F123 HydrophobicContact CD1-CD1 3.49Å; L114-F123 VanDerWaalsContact CD1-CD1 3.49Å; L114-F123 HydrophobicContact CD1-CD2 3.75Å; L114-F123 HydrophobicContact CD1-CE1 3.82Å; L114-F123 HydrophobicContact CD1-CE2 4.07Å; L114-F123 HydrophobicContact CD1-CG 3.46Å; L114-F123 VanDerWaalsContact CD1-CG 3.46Å; L114-F123 HydrophobicContact CD1-CZ 4.11Å; L114-L132 HydrophobicContact CD1-CD1 4.49Å; L114-L132 HydrophobicContact CD1-CD2 4.35Å; L114-I134 HydrophobicContact CD2-CD1 4.3Å; L114-I149 HydrophobicContact CD2-CD1 4.48Å; L114-I149 HydrophobicContact CD2-CG1 4.3Å |
| 115 | A | 66.4 | Low | 66.5 | Low | 84 Ų | 84 | 65.2 Ų | 65.2 | 69% | 0.694 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -11.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N111 S113 | N111-A115 VanDerWaalsContact O-CB 3.25Å; N111-A115 WeakPolarHBondContact O-CB 3.38Å; N111-A115 PolarHBondContact O-N 2.81Å; S113-A115 VanDerWaalsContact C-N 3.31Å; S113-A115 PolarHBondContact O-N 3.32Å |
| 116 | C | 59.9 | Low | 67.3 | Low | 103 Ų | 103 | 62 Ų | 62 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -5.2 | 173.6 | -61.8 | 0 | 0 | 0 | 0 | 113.7 | R112 S113 L114 | R112-C116 PolarHBondContact O-SG 2.71Å; S113-C116 WeakPolarHBondContact O-CB 3.41Å; S113-C116 PolarHBondContact O-N 3.08Å; S113-C116 VanDerWaalsContact O-N 3.13Å; L114-C116 PolarHBondContact O-N 3.5Å |
| 117 | L | 64.4 | Low | 67.6 | Low | 34 Ų | 34 | 66.8 Ų | 66.8 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -94.5 | 115.7 | 179.2 | -73.9 | 167.1 | 0 | 0 | 0 | 111 | L114 L120 L145 C148 | L114-L117 HydrophobicContact CD2-CD1 4.01Å; L114-L117 PolarHBondContact O-N 3.37Å; L117-L120 HydrophobicContact CB-CB 4.46Å; L117-L120 HydrophobicContact CD1-CD1 4.25Å; L117-L145 HydrophobicContact CD1-CD2 3.82Å; L117-C148 HydrophobicContact CD1-CB 3.99Å; L117-C148 HydrophobicContact CD2-CB 4.49Å; L117-C148 HydrophobicContact CG-CB 4.39Å |
| 118 | P | 56.9 | Low | 67.6 | Low | 96 Ų | 96 | 69.1 Ų | 69.1 | 62% | 0.623 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 150.8 | 168.9 | 29.1 | -34 | 0 | 0 | 0 | 110.2 | L120 V140 | P118-L120 PolarHBondContact O-N 3.1Å; P118-V140 WeakPolarHBondContact O-CG2 3.44Å |
| 119 | N | 60.8 | Low | 67.5 | Low | 64 Ų | 64 | 67.2 Ų | 67.2 | 34% | 0.342 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 15.8 | 177.6 | -52.1 | -33.8 | 0 | 0 | 0 | 115.9 | L137 Q139 V140 | N119-L137 HydrophobicContact CB-CB 4.19Å; N119-L137 HydrophobicContact CB-CD1 4.22Å; N119-L137 PolarHBondContact O-N 3.45Å; N119-Q139 PolarHBondContact ND2-OE1 2.96Å; N119-V140 HydrophobicContact CB-CG2 4.21Å |
| 120 | L | 61.8 | Low | 67.7 | Low | 33 Ų | 33 | 63.2 Ų | 63.2 | 17% | 0.173 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 137.8 | 158.9 | -156.5 | 91.1 | 0 | 0 | 0 | 109.3 | L114 L117 P118 F123 I134 L145 | L114-L120 HydrophobicContact CB-CD2 3.8Å; L117-L120 HydrophobicContact CB-CB 4.46Å; L117-L120 HydrophobicContact CD1-CD1 4.25Å; P118-L120 PolarHBondContact O-N 3.1Å; L120-F123 HydrophobicContact CD2-CD1 3.89Å; L120-F123 HydrophobicContact CD2-CE1 4.38Å; L120-I134 HydrophobicContact CD1-CG2 3.58Å; L120-I134 HydrophobicContact CG-CG2 4.4Å; L120-L145 HydrophobicContact CD1-CD2 3.99Å |
| 121 | V | 54.5 | Low | 67.8 | Low | 28 Ų | 28 | 63.6 Ų | 63.6 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -54.5 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | L84 A91 W135 L137 | L84-V121 HydrophobicContact CD1-CG1 3.94Å; L84-V121 HydrophobicContact CG-CG1 4.11Å; A91-V121 HydrophobicContact CB-CG2 4.44Å; V121-W135 WeakPolarHBondContact CA-O 3.34Å; V121-W135 HydrophobicContact CB-CB 4.31Å; V121-W135 WeakPolarHBondContact CB-O 3.44Å; V121-W135 PolarHBondContact N-O 3.1Å; V121-L137 HydrophobicContact CG2-CD2 4.21Å; V121-L137 HydrophobicContact CG2-CG 4.14Å |
| 122 | T | 65.5 | Low | 68.2 | Low | 62 Ų | 62 | 60.9 Ų | 60.9 | 38% | 0.38 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 173.3 | 175.1 | -171.8 | 0 | 0 | 0 | 0 | 110 | W135 | T122-W135 HydrophobicContact CG2-CB 4.21Å; T122-W135 HydrophobicContact CG2-CD2 4.23Å; T122-W135 HydrophobicContact CG2-CE3 3.69Å; T122-W135 HydrophobicContact CG2-CG 4.47Å; T122-W135 HydrophobicContact CG2-CZ3 4.47Å; T122-W135 PolarHBondContact N-O 2.73Å; T122-W135 PolarHBondContact O-N 2.74Å |
| 123 | F | 74.6 | Confident | 68.6 | Low | 52 Ų | 52 | 54.4 Ų | 54.4 | 23% | 0.228 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 157.8 | 174 | 60.5 | -85.6 | 0 | 0 | 0 | 111.1 | I110 N111 L114 L120 I125 L132 E133 I134 | I110-F123 HydrophobicContact CG2-CE2 4.27Å; N111-F123 HydrophobicContact CB-CZ 4.25Å; N111-F123 WeakPolarHBondContact OD1-CE2 3.44Å; N111-F123 WeakPolarHBondContact OD1-CZ 3.29Å; L114-F123 HydrophobicContact CB-CD1 4.27Å; L114-F123 HydrophobicContact CB-CE1 4.08Å; L114-F123 HydrophobicContact CD1-CB 4.09Å; L114-F123 HydrophobicContact CD1-CD1 3.49Å; L114-F123 VanDerWaalsContact CD1-CD1 3.49Å; L114-F123 HydrophobicContact CD1-CD2 3.75Å; L114-F123 HydrophobicContact CD1-CE1 3.82Å; L114-F123 HydrophobicContact CD1-CE2 4.07Å; L114-F123 HydrophobicContact CD1-CG 3.46Å; L114-F123 VanDerWaalsContact CD1-CG 3.46Å; L114-F123 HydrophobicContact CD1-CZ 4.11Å; L120-F123 HydrophobicContact CD2-CD1 3.89Å; L120-F123 HydrophobicContact CD2-CE1 4.38Å; F123-I125 HydrophobicContact CD2-CG1 4.44Å; F123-I125 HydrophobicContact CE2-CD1 4.21Å; F123-L132 HydrophobicContact CB-CD1 4.3Å; F123-L132 HydrophobicContact CD2-CD1 3.82Å; F123-L132 HydrophobicContact CG-CD1 4.41Å; F123-E133 CarbonylContact C-O 3.56Å; F123-E133 WeakPolarHBondContact CA-O 3.25Å; F123-E133 VanDerWaalsContact CB-O 3.3Å; F123-E133 WeakPolarHBondContact CB-O 3.45Å; F123-I134 HydrophobicContact CB-CB 4.47Å; F123-I134 HydrophobicContact CB-CG1 4.15Å; F123-I134 HydrophobicContact CB-CG2 4.5Å |
| 124 | R | 72.9 | Confident | 68.9 | Low | 162 Ų | 162 | 53.2 Ų | 53.2 | 61% | 0.611 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.9 | 179.3 | -168.1 | -172.5 | -156.3 | 176.5 | 5.5 | 109.9 | L132 E133 W135 | R124-L132 WeakPolarHBondContact O-CA 3.47Å; R124-E133 HydrophobicContact CB-CB 4.25Å; R124-E133 VanDerWaalsContact CD-OE2 3.22Å; R124-E133 WeakPolarHBondContact CD-OE2 3.25Å; R124-E133 PolarHBondContact N-O 2.93Å; R124-E133 PolarHBondContact O-N 3.27Å; R124-W135 HydrophobicContact CB-CH2 3.95Å; R124-W135 HydrophobicContact CB-CZ3 3.75Å |
| 125 | I | 75.3 | Confident | 68.9 | Low | 24 Ų | 24 | 56.1 Ų | 56.1 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.2 | 176.5 | -70.5 | 161.5 | 0 | 0 | 0 | 108.7 | L101 E107 I110 F123 K127 L132 | L101-I125 HydrophobicContact CD1-CG2 4.07Å; L101-I125 HydrophobicContact CD2-CG2 3.46Å; L101-I125 VanDerWaalsContact CD2-CG2 3.46Å; L101-I125 HydrophobicContact CG-CG2 4.45Å; E107-I125 HydrophobicContact CB-CD1 4.12Å; E107-I125 HydrophobicContact CG-CD1 3.83Å; I110-I125 HydrophobicContact CB-CD1 4.34Å; I110-I125 HydrophobicContact CD1-CD1 4.28Å; I110-I125 HydrophobicContact CG2-CD1 4.19Å; F123-I125 HydrophobicContact CD2-CG1 4.44Å; F123-I125 HydrophobicContact CE2-CD1 4.21Å; I125-K127 HydrophobicContact CG2-CG 3.77Å; I125-K127 PolarHBondContact O-N 2.84Å; I125-L132 HydrophobicContact CD1-CD1 4.48Å; I125-L132 HydrophobicContact CG1-CD1 3.54Å |
| 126 | N | 75 | Confident | 69 | Low | 48 Ų | 48 | 52.6 Ų | 52.6 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 81.7 | -176.7 | -165.8 | -23.6 | 0 | 0 | 0 | 110 | S128 S129 S130 T131 E133 | N126-S128 VanDerWaalsContact C-N 3.25Å; N126-S128 PolarHBondContact O-N 2.61Å; N126-S128 PolarHBondContact OD1-OG 3.15Å; N126-S129 PolarHBondContact O-N 2.93Å; N126-S129 PolarHBondContact O-OG 3.19Å; N126-S129 PolarHBondContact OD1-OG 2.65Å; N126-S130 PolarHBondContact O-N 2.99Å; N126-S130 VanDerWaalsContact O-N 3.15Å; N126-T131 PolarHBondContact N-O 3.05Å; N126-T131 PolarHBondContact O-N 3.16Å; N126-E133 PolarHBondContact ND2-OE1 2.99Å |
| 127 | K | 71.5 | Confident | 69 | Low | 105 Ų | 105 | 49.1 Ų | 49.1 | 46% | 0.457 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -26.9 | -168.6 | -62.2 | 177.1 | -179.3 | 158.6 | 0 | 114.3 | E107 I125 S129 | E107-K127 IonicContact OE1-NZ 2.63Å; E107-K127 PolarHBondContact OE1-NZ 2.97Å; E107-K127 IonicContact OE2-NZ 3.33Å; E107-K127 PolarHBondContact OE2-NZ 3.24Å; I125-K127 HydrophobicContact CG2-CG 3.77Å; I125-K127 PolarHBondContact O-N 2.84Å; K127-S129 VanDerWaalsContact C-N 3.31Å; K127-S129 PolarHBondContact O-N 3.17Å |
| 128 | S | 65.9 | Low | 68.6 | Low | 116 Ų | 116 | 54.7 Ų | 54.7 | 81% | 0.811 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -15.8 | 177.8 | 57.6 | 0 | 0 | 0 | 0 | 114 | N126 | N126-S128 VanDerWaalsContact C-N 3.25Å; N126-S128 PolarHBondContact O-N 2.61Å; N126-S128 PolarHBondContact OD1-OG 3.15Å |
| 129 | S | 66.2 | Low | 68.7 | Low | 43 Ų | 43 | 57.2 Ų | 57.2 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 4.5 | -176.6 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | N126 K127 T131 | N126-S129 PolarHBondContact O-N 2.93Å; N126-S129 PolarHBondContact O-OG 3.19Å; N126-S129 PolarHBondContact OD1-OG 2.65Å; K127-S129 VanDerWaalsContact C-N 3.31Å; K127-S129 PolarHBondContact O-N 3.17Å; S129-T131 PolarHBondContact O-N 3.47Å; S129-T131 VanDerWaalsContact O-N 3.15Å; S129-T131 PolarHBondContact OG-OG1 3.37Å |
| 130 | S | 75.9 | Confident | 68.9 | Low | 27 Ų | 27 | 54.9 Ų | 54.9 | 19% | 0.189 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 35.4 | -173.7 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | H97 V98 N126 | H97-S130 PolarHBondContact CD2-O 3.14Å; V98-S130 PolarHBondContact N-O 3.08Å; N126-S130 PolarHBondContact O-N 2.99Å; N126-S130 VanDerWaalsContact O-N 3.15Å |
| 131 | T | 75.4 | Confident | 69.4 | Low | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 150 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 112.9 | L96 H97 N126 S129 K159 | L96-T131 CarbonylContact O-C 3.46Å; L96-T131 VanDerWaalsContact O-CA 3.27Å; L96-T131 WeakPolarHBondContact O-CA 3.42Å; H97-T131 HydrophobicContact CB-CG2 4.43Å; N126-T131 PolarHBondContact N-O 3.05Å; N126-T131 PolarHBondContact O-N 3.16Å; S129-T131 PolarHBondContact O-N 3.47Å; S129-T131 VanDerWaalsContact O-N 3.15Å; S129-T131 PolarHBondContact OG-OG1 3.37Å; T131-K159 HydrophobicContact CG2-CD 3.86Å |
| 132 | L | 79 | Confident | 70.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 106.1 | 176 | 178.2 | 67.1 | 0 | 0 | 0 | 106.7 | L96 V98 I110 L114 F123 R124 I125 I134 I149 | L96-L132 PolarHBondContact N-O 3.38Å; L96-L132 PolarHBondContact O-N 2.94Å; V98-L132 HydrophobicContact CG2-CB 4.17Å; V98-L132 HydrophobicContact CG2-CD2 4.47Å; I110-L132 HydrophobicContact CG2-CD1 4Å; I110-L132 HydrophobicContact CG2-CD2 4.04Å; L114-L132 HydrophobicContact CD1-CD1 4.49Å; L114-L132 HydrophobicContact CD1-CD2 4.35Å; F123-L132 HydrophobicContact CB-CD1 4.3Å; F123-L132 HydrophobicContact CD2-CD1 3.82Å; F123-L132 HydrophobicContact CG-CD1 4.41Å; R124-L132 WeakPolarHBondContact O-CA 3.47Å; I125-L132 HydrophobicContact CD1-CD1 4.48Å; I125-L132 HydrophobicContact CG1-CD1 3.54Å; L132-I134 HydrophobicContact CD2-CD1 3.82Å; L132-I134 HydrophobicContact CD2-CG1 4.21Å; L132-I134 HydrophobicContact CG-CD1 3.99Å; L132-I134 HydrophobicContact CG-CG1 3.8Å; L132-I149 HydrophobicContact CD2-CD1 3.49Å; L132-I149 VanDerWaalsContact CD2-CD1 3.49Å; L132-I149 HydrophobicContact CD2-CG1 4.32Å |
| 133 | E | 78.3 | Confident | 70.5 | Confident | 29 Ų | 29 | 58.8 Ų | 58.8 | 14% | 0.136 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 120.9 | 175.8 | -63.8 | 152.3 | -158.9 | 0 | 0 | 107.1 | F123 R124 N126 W135 | F123-E133 CarbonylContact C-O 3.56Å; F123-E133 WeakPolarHBondContact CA-O 3.25Å; F123-E133 VanDerWaalsContact CB-O 3.3Å; F123-E133 WeakPolarHBondContact CB-O 3.45Å; R124-E133 HydrophobicContact CB-CB 4.25Å; R124-E133 VanDerWaalsContact CD-OE2 3.22Å; R124-E133 WeakPolarHBondContact CD-OE2 3.25Å; R124-E133 PolarHBondContact N-O 2.93Å; R124-E133 PolarHBondContact O-N 3.27Å; N126-E133 PolarHBondContact ND2-OE1 2.99Å; E133-W135 HydrophobicContact CB-CH2 3.53Å; E133-W135 HydrophobicContact CB-CZ2 4.15Å; E133-W135 HydrophobicContact CB-CZ3 3.9Å; E133-W135 WeakPolarHBondContact O-CZ3 3.39Å |
| 134 | I | 77.4 | Confident | 70.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.4 | -175.3 | -53.9 | -179.6 | 0 | 0 | 0 | 110.1 | E93 T94 L96 L114 L120 F123 L132 L145 I149 | E93-I134 CarbonylContact C-O 3.58Å; E93-I134 WeakPolarHBondContact CA-O 3.04Å; T94-I134 PolarHBondContact N-O 2.91Å; T94-I134 PolarHBondContact O-N 2.66Å; L96-I134 HydrophobicContact CD1-CD1 3.9Å; L96-I134 HydrophobicContact CG-CD1 4.45Å; L114-I134 HydrophobicContact CD2-CD1 4.3Å; L120-I134 HydrophobicContact CD1-CG2 3.58Å; L120-I134 HydrophobicContact CG-CG2 4.4Å; F123-I134 HydrophobicContact CB-CB 4.47Å; F123-I134 HydrophobicContact CB-CG1 4.15Å; F123-I134 HydrophobicContact CB-CG2 4.5Å; L132-I134 HydrophobicContact CD2-CD1 3.82Å; L132-I134 HydrophobicContact CD2-CG1 4.21Å; L132-I134 HydrophobicContact CG-CD1 3.99Å; L132-I134 HydrophobicContact CG-CG1 3.8Å; I134-L145 HydrophobicContact CD1-CD1 4.35Å; I134-L145 HydrophobicContact CD1-CD2 4.07Å; I134-L145 HydrophobicContact CG2-CD1 4.37Å; I134-L145 HydrophobicContact CG2-CD2 4.06Å; I134-I149 HydrophobicContact CD1-CD1 4.12Å |
| 135 | W | 68.4 | Low | 70.7 | Confident | 61 Ų | 61 | 51.9 Ų | 51.9 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.4 | 171.5 | -61.7 | -88.7 | 0 | 0 | 0 | 110.2 | F92 E93 V121 T122 R124 E133 | F92-W135 CarbonylContact O-C 3Å; F92-W135 VanDerWaalsContact O-CA 3.3Å; F92-W135 WeakPolarHBondContact O-CA 3.37Å; E93-W135 VanDerWaalsContact CD-NE1 3.32Å; E93-W135 HydrophobicContact CG-CZ2 4.21Å; E93-W135 PolarHBondContact OE2-NE1 2.98Å; V121-W135 WeakPolarHBondContact CA-O 3.34Å; V121-W135 HydrophobicContact CB-CB 4.31Å; V121-W135 WeakPolarHBondContact CB-O 3.44Å; V121-W135 PolarHBondContact N-O 3.1Å; T122-W135 HydrophobicContact CG2-CB 4.21Å; T122-W135 HydrophobicContact CG2-CD2 4.23Å; T122-W135 HydrophobicContact CG2-CE3 3.69Å; T122-W135 HydrophobicContact CG2-CG 4.47Å; T122-W135 HydrophobicContact CG2-CZ3 4.47Å; T122-W135 PolarHBondContact N-O 2.73Å; T122-W135 PolarHBondContact O-N 2.74Å; R124-W135 HydrophobicContact CB-CH2 3.95Å; R124-W135 HydrophobicContact CB-CZ3 3.75Å; E133-W135 HydrophobicContact CB-CH2 3.53Å; E133-W135 HydrophobicContact CB-CZ2 4.15Å; E133-W135 HydrophobicContact CB-CZ3 3.9Å; E133-W135 WeakPolarHBondContact O-CZ3 3.39Å |
| 136 | H | 69.1 | Low | 70.9 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.051 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 163 | -176.1 | 63.6 | 92.9 | 0 | 0 | 0 | 111.6 | F92 T94 V140 | F92-H136 PolarHBondContact N-O 3.11Å; F92-H136 PolarHBondContact O-N 2.97Å; T94-H136 PolarHBondContact OG1-NE2 2.76Å; H136-V140 HydrophobicContact CB-CB 4.23Å; H136-V140 HydrophobicContact CB-CG2 4.32Å; H136-V140 PolarHBondContact CE1-O 2.9Å; H136-V140 VanDerWaalsContact CE1-O 3.26Å; H136-V140 PolarHBondContact ND1-O 2.98Å |
| 137 | L | 60.6 | Low | 71 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | trans | -82.3 | 166.3 | 171.9 | -58.2 | 173.6 | 0 | 0 | 0 | 111.3 | N119 V121 Q139 V140 | N119-L137 HydrophobicContact CB-CB 4.19Å; N119-L137 HydrophobicContact CB-CD1 4.22Å; N119-L137 PolarHBondContact O-N 3.45Å; V121-L137 HydrophobicContact CG2-CD2 4.21Å; V121-L137 HydrophobicContact CG2-CG 4.14Å; L137-Q139 PolarHBondContact O-N 3.16Å; L137-V140 PolarHBondContact O-N 3.25Å | ||
| 138 | Q | 54.8 | Low | 71.2 | Confident | 151 Ų | 151 | 50.4 Ų | 50.4 | 71% | 0.706 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -8.6 | -171.4 | -157.1 | 174.9 | -12.2 | 0 | 0 | 115.8 | F92 | F92-Q138 HydrophobicContact CD2-CB 4.2Å; F92-Q138 HydrophobicContact CE2-CB 3.67Å; F92-Q138 HydrophobicContact CE2-CG 3.75Å; F92-Q138 HydrophobicContact CZ-CB 4.41Å; F92-Q138 HydrophobicContact CZ-CG 3.99Å |
| 139 | Q | 59.2 | Low | 71.8 | Confident | 149 Ų | 149 | 44.9 Ų | 44.9 | 70% | 0.696 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -15.9 | -178.2 | -65.2 | -176.6 | -2.2 | 0 | 0 | 114.2 | N119 L137 | N119-Q139 PolarHBondContact ND2-OE1 2.96Å; L137-Q139 PolarHBondContact O-N 3.16Å |
| 140 | V | 66.4 | Low | 72.3 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -91 | 127.4 | 177.5 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | P118 N119 H136 L137 D144 L145 | P118-V140 WeakPolarHBondContact O-CG2 3.44Å; N119-V140 HydrophobicContact CB-CG2 4.21Å; H136-V140 HydrophobicContact CB-CB 4.23Å; H136-V140 HydrophobicContact CB-CG2 4.32Å; H136-V140 PolarHBondContact CE1-O 2.9Å; H136-V140 VanDerWaalsContact CE1-O 3.26Å; H136-V140 PolarHBondContact ND1-O 2.98Å; L137-V140 PolarHBondContact O-N 3.25Å; V140-D144 HydrophobicContact CG1-CB 4.26Å; V140-L145 HydrophobicContact CG1-CD2 3.85Å; V140-L145 HydrophobicContact CG1-CG 3.92Å |
| 141 | T | 71 | Confident | 72 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | trans | -90.9 | 157.6 | 177.7 | 75.8 | 0 | 0 | 0 | 0 | 112 | S143 D144 L145 | T141-S143 PolarHBondContact O-N 3.35Å; T141-S143 PolarHBondContact OG1-OG 3.1Å; T141-D144 WeakPolarHBondContact CA-OD2 3.15Å; T141-D144 VanDerWaalsContact CB-OD2 3.25Å; T141-D144 WeakPolarHBondContact CB-OD2 3.16Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.47Å; T141-D144 PolarHBondContact N-OD2 3.16Å; T141-D144 PolarHBondContact O-N 3.24Å; T141-D144 PolarHBondContact OG1-N 3.06Å; T141-D144 PolarHBondContact OG1-OD2 2.71Å; T141-L145 PolarHBondContact O-N 3.43Å | ||
| 142 | T | 71.9 | Confident | 71.7 | Confident | 69 Ų | 69 | 52 Ų | 52 | 42% | 0.423 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -29.2 | 174.7 | 52.5 | 0 | 0 | 0 | 0 | 112.5 | T94 I146 T158 | T94-T142 HydrophobicContact CG2-CG2 4.04Å; T142-I146 WeakPolarHBondContact O-CG1 3.32Å; T142-I146 PolarHBondContact O-N 3.13Å; T142-I146 VanDerWaalsContact O-N 3.12Å; T142-T158 HydrophobicContact CG2-CG2 4.37Å |
| 143 | S | 71.7 | Confident | 71.3 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 170.5 | 20.2 | 0 | 0 | 0 | 0 | 112.8 | T141 L145 I146 D147 | T141-S143 PolarHBondContact O-N 3.35Å; T141-S143 PolarHBondContact OG1-OG 3.1Å; S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 3.01Å; S143-I146 PolarHBondContact O-N 2.86Å; S143-D147 VanDerWaalsContact O-CB 3.26Å; S143-D147 WeakPolarHBondContact O-CB 3.33Å; S143-D147 PolarHBondContact O-N 2.76Å |
| 144 | D | 75.1 | Confident | 71.2 | Confident | 69 Ų | 69 | 54.2 Ų | 54.2 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 179.9 | -53.2 | -49.1 | 0 | 0 | 0 | 111.3 | V140 T141 C148 | V140-D144 HydrophobicContact CG1-CB 4.26Å; T141-D144 WeakPolarHBondContact CA-OD2 3.15Å; T141-D144 VanDerWaalsContact CB-OD2 3.25Å; T141-D144 WeakPolarHBondContact CB-OD2 3.16Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.47Å; T141-D144 PolarHBondContact N-OD2 3.16Å; T141-D144 PolarHBondContact O-N 3.24Å; T141-D144 PolarHBondContact OG1-N 3.06Å; T141-D144 PolarHBondContact OG1-OD2 2.71Å; D144-C148 WeakPolarHBondContact O-CB 3.35Å; D144-C148 PolarHBondContact O-N 3.35Å |
| 145 | L | 77.6 | Confident | 71 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.1 | -49.4 | 175.5 | -64.1 | 173.6 | 0 | 0 | 0 | 111.6 | T94 L96 L117 L120 I134 V140 T141 S143 I149 | T94-L145 HydrophobicContact CG2-CD1 3.86Å; L96-L145 HydrophobicContact CD1-CB 4.03Å; L117-L145 HydrophobicContact CD1-CD2 3.82Å; L120-L145 HydrophobicContact CD1-CD2 3.99Å; I134-L145 HydrophobicContact CD1-CD1 4.35Å; I134-L145 HydrophobicContact CD1-CD2 4.07Å; I134-L145 HydrophobicContact CG2-CD1 4.37Å; I134-L145 HydrophobicContact CG2-CD2 4.06Å; V140-L145 HydrophobicContact CG1-CD2 3.85Å; V140-L145 HydrophobicContact CG1-CG 3.92Å; T141-L145 PolarHBondContact O-N 3.43Å; S143-L145 VanDerWaalsContact C-N 3.32Å; S143-L145 PolarHBondContact O-N 3.01Å; L145-I149 WeakPolarHBondContact O-CD1 3.27Å; L145-I149 WeakPolarHBondContact O-CG1 3.37Å; L145-I149 PolarHBondContact O-N 3.13Å; L145-I149 VanDerWaalsContact O-N 3.08Å |
| 146 | I | 78.7 | Confident | 71.2 | Confident | 50 Ų | 50 | 57.6 Ų | 57.6 | 26% | 0.256 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 176.5 | -69.4 | 167.3 | 0 | 0 | 0 | 110.8 | L96 T142 S143 C148 I149 S150 A156 T158 | L96-I146 HydrophobicContact CD1-CG1 4.46Å; L96-I146 HydrophobicContact CD2-CG1 4.17Å; T142-I146 WeakPolarHBondContact O-CG1 3.32Å; T142-I146 PolarHBondContact O-N 3.13Å; T142-I146 VanDerWaalsContact O-N 3.12Å; S143-I146 PolarHBondContact O-N 2.86Å; I146-C148 PolarHBondContact O-N 3.3Å; I146-I149 PolarHBondContact O-N 3.29Å; I146-S150 WeakPolarHBondContact O-CB 3.47Å; I146-S150 PolarHBondContact O-N 3.02Å; I146-A156 HydrophobicContact CG1-CB 4.44Å; I146-T158 HydrophobicContact CD1-CG2 3.99Å |
| 147 | D | 76.4 | Confident | 71.4 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | -176.9 | -175.6 | 40.2 | 0 | 0 | 0 | 111.5 | S143 S150 K151 | S143-D147 VanDerWaalsContact O-CB 3.26Å; S143-D147 WeakPolarHBondContact O-CB 3.33Å; S143-D147 PolarHBondContact O-N 2.76Å; D147-S150 PolarHBondContact O-N 2.89Å; D147-S150 PolarHBondContact O-OG 2.92Å; D147-K151 WeakPolarHBondContact O-CG 3.46Å; D147-K151 PolarHBondContact O-N 3.2Å; D147-K151 VanDerWaalsContact OD1-CE 3.29Å; D147-K151 WeakPolarHBondContact OD1-CE 3.41Å; D147-K151 IonicContact OD1-NZ 3.63Å; D147-K151 WeakPolarHBondContact OD2-CE 3.47Å; D147-K151 IonicContact OD2-NZ 2.58Å; D147-K151 PolarHBondContact OD2-NZ 3.41Å |
| 148 | C | 76.9 | Confident | 71.2 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 14% | 0.142 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 174.4 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | S113 L117 D144 I146 K151 S152 | S113-C148 PolarHBondContact O-SG 2.87Å; L117-C148 HydrophobicContact CD1-CB 3.99Å; L117-C148 HydrophobicContact CD2-CB 4.49Å; L117-C148 HydrophobicContact CG-CB 4.39Å; D144-C148 WeakPolarHBondContact O-CB 3.35Å; D144-C148 PolarHBondContact O-N 3.35Å; I146-C148 PolarHBondContact O-N 3.3Å; C148-K151 PolarHBondContact O-N 3.06Å; C148-S152 PolarHBondContact O-N 3.4Å |
| 149 | I | 78 | Confident | 70.9 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.9 | -35.3 | 177.4 | -64.5 | 159 | 0 | 0 | 0 | 111.2 | L96 V98 L114 L132 I134 L145 I146 K151 S152 G153 F154 A156 | L96-I149 HydrophobicContact CD1-CD1 3.41Å; L96-I149 VanDerWaalsContact CD1-CD1 3.41Å; V98-I149 HydrophobicContact CG1-CG2 4.43Å; L114-I149 HydrophobicContact CD2-CD1 4.48Å; L114-I149 HydrophobicContact CD2-CG1 4.3Å; L132-I149 HydrophobicContact CD2-CD1 3.49Å; L132-I149 VanDerWaalsContact CD2-CD1 3.49Å; L132-I149 HydrophobicContact CD2-CG1 4.32Å; I134-I149 HydrophobicContact CD1-CD1 4.12Å; L145-I149 WeakPolarHBondContact O-CD1 3.27Å; L145-I149 WeakPolarHBondContact O-CG1 3.37Å; L145-I149 PolarHBondContact O-N 3.13Å; L145-I149 VanDerWaalsContact O-N 3.08Å; I146-I149 PolarHBondContact O-N 3.29Å; I149-K151 VanDerWaalsContact C-N 3.35Å; I149-K151 PolarHBondContact O-N 3.21Å; I149-S152 WeakPolarHBondContact O-CA 3.43Å; I149-S152 WeakPolarHBondContact O-CB 3.4Å; I149-S152 PolarHBondContact O-N 3.01Å; I149-S152 PolarHBondContact O-OG 3.26Å; I149-G153 PolarHBondContact O-N 3Å; I149-F154 CarbonylContact C-O 3.55Å; I149-F154 HydrophobicContact CG2-CB 3.97Å; I149-F154 PolarHBondContact O-N 3.23Å; I149-A156 HydrophobicContact CB-CB 4.18Å; I149-A156 HydrophobicContact CD1-CB 4.44Å; I149-A156 HydrophobicContact CG2-CB 3.89Å |
| 150 | S | 76.9 | Confident | 69.8 | Low | 57 Ų | 57 | 58.3 Ų | 58.3 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 175.1 | 84.8 | 0 | 0 | 0 | 0 | 112.1 | I146 D147 S152 G153 F154 | I146-S150 WeakPolarHBondContact O-CB 3.47Å; I146-S150 PolarHBondContact O-N 3.02Å; D147-S150 PolarHBondContact O-N 2.89Å; D147-S150 PolarHBondContact O-OG 2.92Å; S150-S152 PolarHBondContact O-N 2.93Å; S150-G153 WeakPolarHBondContact O-CA 3.08Å; S150-G153 PolarHBondContact O-N 3.37Å; S150-F154 WeakPolarHBondContact CA-O 3.46Å |
| 151 | K | 70 | Confident | 68.1 | Low | 154 Ų | 154 | 63.9 Ų | 63.9 | 67% | 0.67 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.6 | -27.8 | 172.9 | -71.6 | 164.9 | -172.5 | 165.4 | 0 | 112.9 | D147 C148 I149 G153 | D147-K151 WeakPolarHBondContact O-CG 3.46Å; D147-K151 PolarHBondContact O-N 3.2Å; D147-K151 VanDerWaalsContact OD1-CE 3.29Å; D147-K151 WeakPolarHBondContact OD1-CE 3.41Å; D147-K151 IonicContact OD1-NZ 3.63Å; D147-K151 WeakPolarHBondContact OD2-CE 3.47Å; D147-K151 IonicContact OD2-NZ 2.58Å; D147-K151 PolarHBondContact OD2-NZ 3.41Å; C148-K151 PolarHBondContact O-N 3.06Å; I149-K151 VanDerWaalsContact C-N 3.35Å; I149-K151 PolarHBondContact O-N 3.21Å; K151-G153 PolarHBondContact O-N 3.32Å |
| 152 | S | 68.7 | Low | 65.9 | Low | 16 Ų | 16 | 66.2 Ų | 66.2 | 11% | 0.112 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -9.1 | 172.8 | 85.4 | 0 | 0 | 0 | 0 | 113.7 | R109 S113 C148 I149 S150 F154 | R109-S152 PolarHBondContact NH2-O 3.01Å; S113-S152 WeakPolarHBondContact OG-CB 3.45Å; C148-S152 PolarHBondContact O-N 3.4Å; I149-S152 WeakPolarHBondContact O-CA 3.43Å; I149-S152 WeakPolarHBondContact O-CB 3.4Å; I149-S152 PolarHBondContact O-N 3.01Å; I149-S152 PolarHBondContact O-OG 3.26Å; S150-S152 PolarHBondContact O-N 2.93Å; S152-F154 WeakPolarHBondContact OG-CD2 3.33Å |
| 153 | G | 70.1 | Confident | 63.7 | Low | 56 Ų | 56 | 70.1 Ų | 70.1 | 58% | 0.577 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 18.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | I149 S150 K151 | I149-G153 PolarHBondContact O-N 3Å; S150-G153 WeakPolarHBondContact O-CA 3.08Å; S150-G153 PolarHBondContact O-N 3.37Å; K151-G153 PolarHBondContact O-N 3.32Å |
| 154 | F | 75.9 | Confident | 61.4 | Low | 18 Ų | 18 | 72.5 Ų | 72.5 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | trans | -117.5 | 142 | 173.3 | -64.1 | -80 | 0 | 0 | 0 | 110.5 | V98 C106 R109 I110 I149 S150 S152 A156 | V98-F154 HydrophobicContact CG1-CB 3.6Å; V98-F154 HydrophobicContact CG1-CG 4.29Å; C106-F154 HydrophobicContact CB-CE1 4.08Å; C106-F154 HydrophobicContact CB-CE2 4.37Å; C106-F154 HydrophobicContact CB-CZ 3.62Å; R109-F154 HydrophobicContact CB-CE2 4.11Å; I110-F154 HydrophobicContact CG1-CD2 4.26Å; I110-F154 HydrophobicContact CG1-CE2 4.31Å; I149-F154 CarbonylContact C-O 3.55Å; I149-F154 HydrophobicContact CG2-CB 3.97Å; I149-F154 PolarHBondContact O-N 3.23Å; S150-F154 WeakPolarHBondContact CA-O 3.46Å; S152-F154 WeakPolarHBondContact OG-CD2 3.33Å; F154-A156 PolarHBondContact O-N 3.47Å | ||
| 155 | K | 73.9 | Confident | 58.9 | Low | 122 Ų | 122 | 76.6 Ų | 76.6 | 53% | 0.53 | 42% | 0.423 | S | S | . | . | trans | -93.7 | 106.4 | -175.7 | -167.7 | -151.4 | -172.3 | -170 | 0 | 109.5 | E99 | E99-K155 VanDerWaalsContact CD-CD 3.42Å; E99-K155 HydrophobicContact CG-CD 4.45Å; E99-K155 PolarHBondContact N-O 2.88Å; E99-K155 VanDerWaalsContact N-O 3.14Å; E99-K155 IonicContact OE1-NZ 2.73Å; E99-K155 PolarHBondContact OE1-NZ 2.81Å; E99-K155 WeakPolarHBondContact OE2-CD 3.43Å; E99-K155 IonicContact OE2-NZ 2.83Å; E99-K155 PolarHBondContact OE2-NZ 2.95Å | ||
| 156 | A | 72.8 | Confident | 56.3 | Low | 11 Ų | 11 | 82.3 Ų | 82.3 | 9% | 0.091 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L96 H97 V98 I146 I149 F154 | L96-A156 HydrophobicContact CD1-CB 4.33Å; H97-A156 CarbonylContact O-C 3.49Å; H97-A156 WeakPolarHBondContact O-CA 3.22Å; V98-A156 HydrophobicContact CG2-CB 4.08Å; I146-A156 HydrophobicContact CG1-CB 4.44Å; I149-A156 HydrophobicContact CB-CB 4.18Å; I149-A156 HydrophobicContact CD1-CB 4.44Å; I149-A156 HydrophobicContact CG2-CB 3.89Å; F154-A156 PolarHBondContact O-N 3.47Å |
| 157 | I | 72.7 | Confident | 53.7 | Low | 84 Ų | 84 | 87 Ų | 87 | 43% | 0.431 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.1 | 174.9 | -55.6 | 177.3 | 0 | 0 | 0 | 107.7 | H97 K159 | H97-I157 PolarHBondContact N-O 3.14Å; H97-I157 PolarHBondContact O-N 2.99Å; I157-K159 PolarHBondContact O-N 3.36Å |
| 158 | T | 57.6 | Low | 51 | Low | 60 Ų | 60 | 91.7 Ų | 91.7 | 37% | 0.368 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 118.9 | 170.8 | 38 | 0 | 0 | 0 | 0 | 110.2 | L96 T142 I146 P160 | L96-T158 HydrophobicContact CD2-CG2 3.57Å; T142-T158 HydrophobicContact CG2-CG2 4.37Å; I146-T158 HydrophobicContact CD1-CG2 3.99Å; T158-P160 WeakPolarHBondContact O-CD 3.45Å |
| 159 | K | 48 | Very low | 48.4 | Very low | 105 Ų | 105 | 101 Ų | 101 | 46% | 0.457 | 55% | 0.55 | S | S | . | * | trans | -74.3 | 114.7 | 174.5 | -167 | 172.3 | -176.1 | 176.3 | 0 | 107.5 | C95 T131 I157 Q161 | C95-K159 PolarHBondContact O-N 2.95Å; C95-K159 VanDerWaalsContact O-N 3.15Å; T131-K159 HydrophobicContact CG2-CD 3.86Å; I157-K159 PolarHBondContact O-N 3.36Å; K159-Q161 PolarHBondContact O-N 3.01Å; K159-Q161 VanDerWaalsContact O-N 3.17Å | ||
| 160 | P | 36.1 | Very low | 45.6 | Very low | 106 Ų | 106 | 105.7 Ų | 105.7 | 69% | 0.688 | 58% | 0.584 | S | S | * | * | trans | -66.2 | 119.2 | -177.3 | 26.4 | -33.1 | 0 | 0 | 0 | 109.6 | T158 T162 | T158-P160 WeakPolarHBondContact O-CD 3.45Å; P160-T162 VanDerWaalsContact C-N 3.26Å; P160-T162 PolarHBondContact O-N 3.27Å | ||
| 161 | Q | 30.6 | Very low | 43.1 | Very low | 133 Ų | 133 | 110.2 Ų | 110.2 | 62% | 0.621 | 61% | 0.609 | S | S | * | * | trans | -73.4 | 75.8 | 176.6 | -75.3 | -172.3 | -11.5 | 0 | 0 | 111.4 | K159 | K159-Q161 PolarHBondContact O-N 3.01Å; K159-Q161 VanDerWaalsContact O-N 3.17Å | ||
| 162 | T | 25.2 | Very low | 40.8 | Very low | 111 Ų | 111 | 107.6 Ų | 107.6 | 68% | 0.681 | 61% | 0.61 | S | S | * | * | trans | -163.1 | 141.9 | 156.6 | 16.4 | 0 | 0 | 0 | 0 | 112.4 | P160 | P160-T162 VanDerWaalsContact C-N 3.26Å; P160-T162 PolarHBondContact O-N 3.27Å | ||
| 163 | M | 25.2 | Very low | 38.7 | Very low | 150 Ų | 150 | 113 Ų | 113 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | trans | 66.4 | 114.2 | 156.9 | -63.5 | 178.3 | 67.3 | 0 | 0 | 119.4 | M165 | M163-M165 VanDerWaalsContact C-N 3.34Å; M163-M165 PolarHBondContact O-N 3.45Å | ||
| 164 | S | 23.9 | Very low | 36.4 | Very low | 125 Ų | 125 | 116.7 Ų | 116.7 | 87% | 0.874 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -79.7 | 77.6 | 154.1 | 56.3 | 0 | 0 | 0 | 0 | 111 | ||
| 165 | M | 22.5 | Very low | 33.9 | Very low | 155 Ų | 155 | 122 Ų | 122 | 76% | 0.764 | 67% | 0.673 | S | S | * | * | trans | -168.6 | 120 | 137.6 | -109 | -176 | -178.7 | 0 | 0 | 109.6 | M163 | M163-M165 VanDerWaalsContact C-N 3.34Å; M163-M165 PolarHBondContact O-N 3.45Å | ||
| 166 | C | 22.4 | Very low | 31.5 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | trans | -118.1 | 139 | 169.3 | -68.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 167 | T | 23.4 | Very low | 29.1 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 91% | 0.914 | 72% | 0.718 | S | S | * | * | trans | -125.8 | 143.9 | 151.5 | 41.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 168 | E | 21.4 | Very low | 26.8 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -92.4 | 158 | -165 | -54.5 | 178.2 | 124.3 | 0 | 0 | 112 | ||||
| 169 | F | 20.4 | Very low | 25.2 | Very low | 215 Ų | 215 | 136.7 Ų | 136.7 | 94% | 0.943 | 75% | 0.749 | S | S | * | * | trans | -144.2 | 135.6 | 132.1 | -104 | -72.8 | 0 | 0 | 0 | 109.9 | ||||
| 170 | S | 20.1 | Very low | 23.9 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | trans | -127.7 | 143.3 | 171.7 | 67.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 171 | T | 24.4 | Very low | 23.3 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 93% | 0.926 | 78% | 0.778 | S | S | * | * | trans | -150.5 | 167 | 161.2 | 31.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 172 | S | 21.5 | Very low | 22.9 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -130.9 | -177 | -144.7 | 58.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 173 | N | 24.5 | Very low | 22.7 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | trans | 94.9 | 97.2 | 159.3 | -61.8 | -36.1 | 0 | 0 | 0 | 120.5 | ||||
| 174 | N | 22 | Very low | 22.5 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | 69 | 141.6 | 113.5 | -66.2 | -31.2 | 0 | 0 | 0 | 123.5 | |||||
| 175 | N | 24.4 | Very low | 22.4 | Very low | 130 Ų | 130 | 150.9 Ų | 150.9 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | 96.6 | 104.6 | 145.9 | -72.1 | -42.9 | 0 | 0 | 0 | 122 | ||||
| 176 | R | 22.6 | Very low | 22.3 | Very low | 214 Ų | 214 | 151.9 Ų | 151.9 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | 87.5 | 128.5 | 116.9 | -77.9 | -178 | 179 | -161.2 | -2.1 | 122.5 | |||||
| 177 | I | 23 | Very low | 22.2 | Very low | 148 Ų | 148 | 150.7 Ų | 150.7 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | 96 | 127.1 | 141.2 | -68.8 | 159.4 | 0 | 0 | 0 | 119 | ||||
| 178 | P | 23.5 | Very low | 22.2 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | trans | -110.3 | -162.9 | 167.2 | 44.6 | -35.3 | 0 | 0 | 0 | 110.9 | ||||
| 179 | P | 24.2 | Very low | 22.3 | Very low | 114 Ų | 114 | 148.8 Ų | 148.8 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | cis | -119 | -167.2 | -38.2 | 35 | -18.6 | 0 | 0 | 0 | 111.8 | ||||
| 180 | S | 21.4 | Very low | 22.3 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | 88.3 | 81.7 | 157.2 | 73.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 181 | M | 23.1 | Very low | 22.5 | Very low | 192 Ų | 192 | 150 Ų | 150 | 95% | 0.946 | 80% | 0.8 | S | S | * | * | trans | -136.5 | 145.6 | 135.6 | -97.3 | -171 | 172.1 | 0 | 0 | 109.1 | ||||
| 182 | K | 21.4 | Very low | 22.4 | Very low | 211 Ų | 211 | 147.7 Ų | 147.7 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -120.2 | 78 | 175.2 | -95.7 | -165.5 | 172.1 | -171.3 | 0 | 110.2 | ||||
| 183 | F | 20.5 | Very low | 22.6 | Very low | 208 Ų | 208 | 148 Ų | 148 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | trans | -154.5 | 120.7 | 163 | -95.6 | -75.4 | 0 | 0 | 0 | 106.9 | ||||
| 184 | E | 22.2 | Very low | 22.7 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -149.1 | 116.7 | 177.2 | -134.7 | 166.2 | -136.3 | 0 | 0 | 110.5 | ||||
| 185 | C | 21.1 | Very low | 22.8 | Very low | 118 Ų | 118 | 148 Ų | 148 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -118.6 | 138.4 | 157.1 | -73 | 0 | 0 | 0 | 0 | 107 | ||||
| 186 | L | 20.5 | Very low | 22.8 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | 54.3 | 91.8 | 157.8 | -74.4 | 154.2 | 0 | 0 | 0 | 117.8 | ||||
| 187 | S | 21.7 | Very low | 22.9 | Very low | 95 Ų | 95 | 145 Ų | 145 | 66% | 0.664 | 79% | 0.791 | S | S | * | * | trans | -153.5 | 124.5 | 139.1 | 61 | 0 | 0 | 0 | 0 | 113 | ||||
| 188 | T | 22.2 | Very low | 22.9 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | 32.8 | 107.6 | 146.5 | 55.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 189 | I | 22.7 | Very low | 23 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -96.8 | 116.7 | 148.6 | -67.3 | 178.4 | 0 | 0 | 0 | 108.1 | L191 | I189-L191 PolarHBondContact O-N 3.04Š| ||
| 190 | H | 21.9 | Very low | 23 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | -67.8 | 121.9 | 168.6 | -94.8 | -106.5 | 0 | 0 | 0 | 110.1 | S192 | H190-S192 PolarHBondContact O-N 3.35Š| ||
| 191 | L | 23.1 | Very low | 23.1 | Very low | 172 Ų | 172 | 153 Ų | 153 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -84.5 | 83.4 | 168.2 | -89.3 | 162.6 | 0 | 0 | 0 | 110.4 | I189 | I189-L191 PolarHBondContact O-N 3.04Š| ||
| 192 | S | 22.3 | Very low | 23.2 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -78.5 | 152.2 | 166 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | H190 | H190-S192 PolarHBondContact O-N 3.35Š| ||
| 193 | S | 25.8 | Very low | 23.6 | Very low | 107 Ų | 107 | 148.6 Ų | 148.6 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | 73.6 | 123 | -173.9 | -166.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 194 | K | 26.3 | Very low | 23.7 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | trans | -107.4 | 10.7 | -171 | -151.3 | 173.8 | -176.6 | 178.5 | 0 | 113.1 | ||||
| 195 | A | 24.4 | Very low | 23.8 | Very low | 61 Ų | 61 | 142.7 Ų | 142.7 | 50% | 0.504 | 76% | 0.758 | S | S | . | * | trans | -94.2 | -21.8 | -161.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 196 | N | 24.5 | Very low | 24 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -96.8 | 17.1 | -170.2 | -89.8 | -20.9 | 0 | 0 | 0 | 115.7 | ||
| 197 | L | 25.1 | Very low | 24.1 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | trans | -96 | 0.9 | -168.2 | -101.3 | 165.2 | 0 | 0 | 0 | 116.7 | ||||
| 198 | Q | 24.2 | Very low | 24.4 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -99.1 | -5.7 | 179.8 | -72.1 | -166.5 | -9.9 | 0 | 0 | 115.5 | ||
| 199 | S | 24.9 | Very low | 24.5 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -86.9 | -21.5 | 176.4 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | R201 | S199-R201 VanDerWaalsContact C-N 3.35Å; S199-R201 PolarHBondContact O-N 3.43Å |
| 200 | F | 24 | Very low | 24.7 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 62% | 0.618 | 73% | 0.734 | S | S | * | * | trans | -82.1 | 68.1 | -176.6 | -89.3 | -90.9 | 0 | 0 | 0 | 113.8 | Q202 | F200-Q202 PolarHBondContact O-N 3.24Š| ||
| 201 | R | 24.1 | Very low | 24.9 | Very low | 230 Ų | 230 | 137.1 Ų | 137.1 | 87% | 0.868 | 73% | 0.728 | S | S | * | * | trans | -84.1 | 45.4 | 165.3 | -94.4 | -166.4 | 173.2 | -163.6 | -0.4 | 113.1 | S199 | S199-R201 VanDerWaalsContact C-N 3.35Å; S199-R201 PolarHBondContact O-N 3.43Å | ||
| 202 | Q | 25.2 | Very low | 25 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | -165.5 | 77.1 | 168.7 | -112 | 171.3 | 36.3 | 0 | 0 | 110.6 | F200 L204 | F200-Q202 PolarHBondContact O-N 3.24Å; Q202-L204 PolarHBondContact O-N 3.44Å | ||
| 203 | N | 29.3 | Very low | 25.1 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | -83.8 | 78.3 | 179.4 | -81.7 | 1.2 | 0 | 0 | 0 | 112.5 | ||||
| 204 | L | 23.2 | Very low | 25.1 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | trans | -88.7 | 104 | 152.5 | -171.1 | 86.8 | 0 | 0 | 0 | 107.8 | Q202 I206 | Q202-L204 PolarHBondContact O-N 3.44Å; L204-I206 HydrophobicContact CD2-CD1 4.22Å; L204-I206 HydrophobicContact CD2-CG1 4.01Å; L204-I206 HydrophobicContact CG-CG1 4.49Å; L204-I206 PolarHBondContact O-N 3.25Å | ||
| 205 | L | 23.2 | Very low | 25.1 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -79.9 | 101.2 | -180 | -171.1 | 75.2 | 0 | 0 | 0 | 110.7 | V207 | L205-V207 HydrophobicContact CD2-CG2 3.73Å; L205-V207 HydrophobicContact CG-CG2 3.85Å; L205-V207 PolarHBondContact O-N 2.81Å | ||
| 206 | I | 25.5 | Very low | 25.3 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 62% | 0.621 | 71% | 0.711 | S | S | * | * | trans | -85.2 | 95.4 | 174.6 | -55.1 | 178.3 | 0 | 0 | 0 | 109.3 | L204 | L204-I206 HydrophobicContact CD2-CD1 4.22Å; L204-I206 HydrophobicContact CD2-CG1 4.01Å; L204-I206 HydrophobicContact CG-CG1 4.49Å; L204-I206 PolarHBondContact O-N 3.25Å | ||
| 207 | V | 23.6 | Very low | 25.4 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 61% | 0.606 | 71% | 0.706 | S | S | * | * | trans | -89.9 | 109.5 | 170.2 | -169 | 0 | 0 | 0 | 0 | 109.1 | L205 V209 | L205-V207 HydrophobicContact CD2-CG2 3.73Å; L205-V207 HydrophobicContact CG-CG2 3.85Å; L205-V207 PolarHBondContact O-N 2.81Å; V207-V209 HydrophobicContact CG1-CG2 3.95Å; V207-V209 PolarHBondContact O-N 2.82Å | ||
| 208 | K | 26.7 | Very low | 25.8 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 81% | 0.809 | 71% | 0.706 | S | S | * | * | trans | -82.3 | 102.6 | 176.3 | -176.1 | 179.6 | -179.1 | 176.7 | 0 | 110.1 | ||||
| 209 | V | 25.1 | Very low | 26.2 | Very low | 92 Ų | 92 | 135 Ų | 135 | 56% | 0.558 | 69% | 0.694 | S | S | * | * | trans | -117.1 | 129.2 | 167.6 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | V207 G211 | V207-V209 HydrophobicContact CG1-CG2 3.95Å; V207-V209 PolarHBondContact O-N 2.82Å; V209-G211 PolarHBondContact O-N 3.39Å | ||
| 210 | D | 26.1 | Very low | 26.6 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 86% | 0.856 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.3 | 39.2 | 171.9 | -60.8 | -11.6 | 0 | 0 | 0 | 117 | V212 | D210-V212 VanDerWaalsContact C-N 3.33Å; D210-V212 PolarHBondContact O-N 2.93Å |
| 211 | G | 26.6 | Very low | 27 | Very low | 63 Ų | 63 | 133.1 Ų | 133.1 | 65% | 0.649 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.6 | 3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | V209 | V209-G211 PolarHBondContact O-N 3.39Š|
| 212 | V | 24.6 | Very low | 27.4 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 58% | 0.582 | 66% | 0.657 | S | S | * | * | trans | -115.1 | 120.6 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 110.9 | D210 N214 | D210-V212 VanDerWaalsContact C-N 3.33Å; D210-V212 PolarHBondContact O-N 2.93Å; V212-N214 PolarHBondContact O-N 2.98Å | ||
| 213 | I | 26 | Very low | 27.9 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 75% | 0.749 | 64% | 0.644 | S | S | * | * | trans | -83.1 | 106.7 | 175.2 | -56.5 | 175 | 0 | 0 | 0 | 108.8 | ||||
| 214 | N | 25.8 | Very low | 28 | Very low | 130 Ų | 130 | 119.2 Ų | 119.2 | 70% | 0.695 | 63% | 0.633 | S | S | * | * | trans | -114.9 | 134.3 | 171.2 | -80.9 | -40.6 | 0 | 0 | 0 | 110.5 | V212 | V212-N214 PolarHBondContact O-N 2.98Š| ||
| 215 | T | 24.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | trans | -96.7 | 107.4 | 178 | 40.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 216 | I | 28.6 | Very low | 28.9 | Very low | 119 Ų | 119 | 122 Ų | 122 | 61% | 0.61 | 63% | 0.632 | S | S | * | * | trans | -95.1 | 143.4 | 176.8 | -60.6 | 175.4 | 0 | 0 | 0 | 109.4 | E220 | I216-E220 HydrophobicContact CG2-CB 3.91Š| ||
| 217 | K | 27.2 | Very low | 29.2 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 67% | 0.674 | 64% | 0.637 | S | S | * | * | trans | -78.3 | 143.6 | 179 | -65.8 | -178 | 177.3 | -176.3 | 0 | 111.2 | H219 E220 L221 | K217-H219 PolarHBondContact O-N 3.43Å; K217-E220 HydrophobicContact CB-CG 4.43Å; K217-E220 WeakPolarHBondContact CB-OE2 3.35Å; K217-E220 PolarHBondContact N-OE2 2.86Å; K217-E220 PolarHBondContact O-N 3.37Å; K217-L221 PolarHBondContact O-N 3.22Å; K217-L221 VanDerWaalsContact O-N 3.11Å | ||
| 218 | F | 33.5 | Very low | 29.3 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 72% | 0.724 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -49.6 | -36.2 | 179.5 | -176.3 | -110.2 | 0 | 0 | 0 | 113.7 | L222 | F218-L222 HydrophobicContact CD1-CD1 3.89Å; F218-L222 HydrophobicContact CE1-CD1 3.48Å; F218-L222 VanDerWaalsContact CE1-CD1 3.48Å; F218-L222 HydrophobicContact CE1-CG 4.48Å; F218-L222 HydrophobicContact CZ-CD1 3.91Å; F218-L222 WeakPolarHBondContact O-CB 3.47Å; F218-L222 PolarHBondContact O-N 3.07Å |
| 219 | H | 33.5 | Very low | 29.4 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 66% | 0.662 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.3 | -36 | 178 | -163.7 | 44.6 | 0 | 0 | 0 | 113.6 | K217 Q223 | K217-H219 PolarHBondContact O-N 3.43Å; H219-Q223 WeakPolarHBondContact O-CB 3.41Å; H219-Q223 PolarHBondContact O-N 3.34Å |
| 220 | E | 32.9 | Very low | 29.3 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 52% | 0.519 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -72.4 | -35.5 | 176.4 | -64.6 | 167.7 | 145.4 | 0 | 0 | 110.8 | I216 K217 Q223 A224 | I216-E220 HydrophobicContact CG2-CB 3.91Å; K217-E220 HydrophobicContact CB-CG 4.43Å; K217-E220 WeakPolarHBondContact CB-OE2 3.35Å; K217-E220 PolarHBondContact N-OE2 2.86Å; K217-E220 PolarHBondContact O-N 3.37Å; E220-Q223 PolarHBondContact O-N 2.58Å; E220-A224 PolarHBondContact O-N 3.28Å |
| 221 | L | 32.6 | Very low | 29.3 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 39% | 0.393 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.3 | -43.7 | 173.6 | -164.7 | 154.9 | 0 | 0 | 0 | 111.2 | K217 Q223 A224 Y225 | K217-L221 PolarHBondContact O-N 3.22Å; K217-L221 VanDerWaalsContact O-N 3.11Å; L221-Q223 VanDerWaalsContact C-N 3.32Å; L221-Q223 PolarHBondContact O-N 2.74Å; L221-A224 PolarHBondContact O-N 3.24Å; L221-Y225 HydrophobicContact CD2-CD2 4.07Å; L221-Y225 WeakPolarHBondContact O-CB 3.43Å; L221-Y225 PolarHBondContact O-N 3.01Å |
| 222 | L | 33.1 | Very low | 29.1 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 38% | 0.382 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -58.6 | -40.9 | 172.6 | -97.3 | 165.5 | 0 | 0 | 0 | 112.7 | F218 Y225 H226 | F218-L222 HydrophobicContact CD1-CD1 3.89Å; F218-L222 HydrophobicContact CE1-CD1 3.48Å; F218-L222 VanDerWaalsContact CE1-CD1 3.48Å; F218-L222 HydrophobicContact CE1-CG 4.48Å; F218-L222 HydrophobicContact CZ-CD1 3.91Å; F218-L222 WeakPolarHBondContact O-CB 3.47Å; F218-L222 PolarHBondContact O-N 3.07Å; L222-Y225 WeakPolarHBondContact O-CB 3.44Å; L222-Y225 PolarHBondContact O-N 3.06Å; L222-H226 PolarHBondContact O-N 3.12Å |
| 223 | Q | 34.8 | Very low | 29.1 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 54% | 0.542 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -68.8 | -42 | 179.1 | -165.3 | 163.2 | 13.4 | 0 | 0 | 111.6 | H219 E220 L221 Y225 H226 D227 | H219-Q223 WeakPolarHBondContact O-CB 3.41Å; H219-Q223 PolarHBondContact O-N 3.34Å; E220-Q223 PolarHBondContact O-N 2.58Å; L221-Q223 VanDerWaalsContact C-N 3.32Å; L221-Q223 PolarHBondContact O-N 2.74Å; Q223-Y225 VanDerWaalsContact C-N 3.28Å; Q223-Y225 PolarHBondContact O-N 3.13Å; Q223-H226 PolarHBondContact O-N 3.42Å; Q223-D227 PolarHBondContact O-N 2.98Å; Q223-D227 VanDerWaalsContact O-N 3.11Å |
| 224 | A | 31.5 | Very low | 29 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 50% | 0.504 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -64 | -30.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | E220 L221 S228 | E220-A224 PolarHBondContact O-N 3.28Å; L221-A224 PolarHBondContact O-N 3.24Å; A224-S228 WeakPolarHBondContact O-CB 3.44Å; A224-S228 PolarHBondContact O-OG 3.38Å |
| 225 | Y | 31.3 | Very low | 28.8 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 70% | 0.698 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.9 | -38 | 172.7 | -125.3 | -92.4 | 0 | 0 | 0 | 112.2 | L221 L222 Q223 S228 | L221-Y225 HydrophobicContact CD2-CD2 4.07Å; L221-Y225 WeakPolarHBondContact O-CB 3.43Å; L221-Y225 PolarHBondContact O-N 3.01Å; L222-Y225 WeakPolarHBondContact O-CB 3.44Å; L222-Y225 PolarHBondContact O-N 3.06Å; Q223-Y225 VanDerWaalsContact C-N 3.28Å; Q223-Y225 PolarHBondContact O-N 3.13Å; Y225-S228 PolarHBondContact O-OG 3.47Å |
| 226 | H | 33.4 | Very low | 28.7 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 69% | 0.694 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -66.6 | -36.9 | 176.9 | -106 | -69.5 | 0 | 0 | 0 | 113.1 | L222 Q223 S228 | L222-H226 PolarHBondContact O-N 3.12Å; Q223-H226 PolarHBondContact O-N 3.42Å; H226-S228 VanDerWaalsContact C-N 3.28Å; H226-S228 PolarHBondContact O-N 2.89Å |
| 227 | D | 31.6 | Very low | 28.6 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 2.8 | -175.4 | -69.3 | -19.8 | 0 | 0 | 0 | 114 | Q223 | Q223-D227 PolarHBondContact O-N 2.98Å; Q223-D227 VanDerWaalsContact O-N 3.11Å |
| 228 | S | 25.8 | Very low | 28.4 | Very low | 81 Ų | 81 | 136.6 Ų | 136.6 | 57% | 0.566 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -127.6 | 2.4 | -162.9 | 58.4 | 0 | 0 | 0 | 0 | 119.1 | A224 Y225 H226 | A224-S228 WeakPolarHBondContact O-CB 3.44Å; A224-S228 PolarHBondContact O-OG 3.38Å; Y225-S228 PolarHBondContact O-OG 3.47Å; H226-S228 VanDerWaalsContact C-N 3.28Å; H226-S228 PolarHBondContact O-N 2.89Å |
| 229 | M | 28.2 | Very low | 27.9 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 88% | 0.882 | 69% | 0.694 | S | S | * | * | trans | -141 | 130.5 | 168.3 | -85.6 | -159.2 | 167.2 | 0 | 0 | 115.6 | ||||
| 230 | N | 23.5 | Very low | 27.5 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 87% | 0.866 | 70% | 0.701 | S | S | * | * | trans | -101 | 123.4 | 157.8 | -90.2 | -29.8 | 0 | 0 | 0 | 108.5 | ||||
| 231 | L | 25.6 | Very low | 27.1 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | 174.1 | 124.8 | 133.7 | -95.7 | 157.6 | 0 | 0 | 0 | 112.3 | ||||
| 232 | S | 23 | Very low | 26.8 | Very low | 90 Ų | 90 | 135.3 Ų | 135.3 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | trans | 5.5 | 140.2 | 156.6 | 56 | 0 | 0 | 0 | 0 | 122 | ||||
| 233 | N | 24.7 | Very low | 26.3 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 75.7 | 94.1 | 160.4 | -56.3 | -3.1 | 0 | 0 | 0 | 117 | ||||
| 234 | Y | 24.1 | Very low | 25.7 | Very low | 232 Ų | 232 | 143 Ų | 143 | 91% | 0.91 | 77% | 0.77 | S | S | * | * | 176.5 | 150 | 124.3 | -87.8 | -58.5 | 0 | 0 | 0 | 109.4 | |||||
| 235 | D | 22.5 | Very low | 25.4 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -72.8 | 137.6 | -167.9 | -66 | -65.1 | 0 | 0 | 0 | 115.1 | ||||
| 236 | L | 22.6 | Very low | 25.2 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -100.1 | 97.8 | -176.3 | -176.4 | 71.8 | 0 | 0 | 0 | 111.6 | V238 | L236-V238 PolarHBondContact O-N 3.18Š| ||
| 237 | H | 26 | Very low | 24.7 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -74 | 117.2 | 170.3 | -79.8 | -75.8 | 0 | 0 | 0 | 111.8 | ||||
| 238 | V | 21.8 | Very low | 24.2 | Very low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -81.9 | 128.8 | 178.5 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | L236 | L236-V238 PolarHBondContact O-N 3.18Š| ||
| 239 | L | 24.3 | Very low | 24.1 | Very low | 148 Ų | 148 | 142 Ų | 142 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -126.8 | 113.1 | 161.7 | -76.5 | 175 | 0 | 0 | 0 | 109.7 | ||||
| 240 | A | 24.1 | Very low | 23.9 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -76.3 | 154.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 241 | S | 24.6 | Very low | 23.9 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | trans | -106 | 139.3 | 174.3 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 242 | S | 25.7 | Very low | 23.8 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | trans | -122.5 | 146.7 | 169.6 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | N244 | S242-N244 PolarHBondContact O-N 3.15Å; S242-N244 VanDerWaalsContact O-N 3.1Å | ||
| 243 | E | 22.6 | Very low | 23.9 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -68.6 | -11.7 | -168.4 | -63 | -176.7 | 139.6 | 0 | 0 | 114.2 | ||
| 244 | N | 23.4 | Very low | 23.8 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -111 | 108.9 | 170.7 | -63.8 | -54.7 | 0 | 0 | 0 | 109.2 | S242 | S242-N244 PolarHBondContact O-N 3.15Å; S242-N244 VanDerWaalsContact O-N 3.1Å |
| 245 | G | 23.7 | Very low | 23.9 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | -79.8 | 145.8 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 246 | M | 27.4 | Very low | 24 | Very low | 180 Ų | 180 | 131.2 Ų | 131.2 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -143.4 | 140.5 | 159.6 | -104.4 | -79.2 | -81.7 | 0 | 0 | 107.8 | ||||
| 247 | L | 22.6 | Very low | 24.1 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -116 | 100.7 | -173.2 | -165.1 | 161.8 | 0 | 0 | 0 | 109.9 | A249 | L247-A249 HydrophobicContact CD2-CB 4.01Å; L247-A249 PolarHBondContact O-N 2.97Å | ||
| 248 | L | 22.8 | Very low | 24.1 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 58% | 0.581 | 75% | 0.749 | S | S | * | * | trans | -79.2 | 82.8 | -179 | -163.5 | 84.3 | 0 | 0 | 0 | 111.2 | V250 | L248-V250 HydrophobicContact CD2-CG2 3.79Å; L248-V250 HydrophobicContact CG-CG2 4.03Å; L248-V250 PolarHBondContact O-N 2.84Å; L248-V250 VanDerWaalsContact O-N 3.11Å | ||
| 249 | A | 23.5 | Very low | 24.3 | Very low | 82 Ų | 82 | 127.2 Ų | 127.2 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -78.9 | 86.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L247 N251 | L247-A249 HydrophobicContact CD2-CB 4.01Å; L247-A249 PolarHBondContact O-N 2.97Å; A249-N251 VanDerWaalsContact C-N 3.32Å; A249-N251 PolarHBondContact O-N 2.94Å | ||
| 250 | V | 23.7 | Very low | 24.3 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -71.1 | 89.8 | 170.8 | -172.3 | 0 | 0 | 0 | 0 | 109 | L248 I252 | L248-V250 HydrophobicContact CD2-CG2 3.79Å; L248-V250 HydrophobicContact CG-CG2 4.03Å; L248-V250 PolarHBondContact O-N 2.84Å; L248-V250 VanDerWaalsContact O-N 3.11Å; V250-I252 VanDerWaalsContact C-N 3.26Å; V250-I252 HydrophobicContact CG1-CG1 3.88Å; V250-I252 PolarHBondContact O-N 2.84Å | ||
| 251 | N | 23.3 | Very low | 24.4 | Very low | 137 Ų | 137 | 128.3 Ų | 128.3 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | -78.3 | 76.8 | 176.3 | -167 | 55.6 | 0 | 0 | 0 | 110 | A249 L253 | A249-N251 VanDerWaalsContact C-N 3.32Å; A249-N251 PolarHBondContact O-N 2.94Å; N251-L253 PolarHBondContact O-N 3.49Å; N251-L253 VanDerWaalsContact O-N 3.17Å | ||
| 252 | I | 23.2 | Very low | 24.4 | Very low | 144 Ų | 144 | 129.2 Ų | 129.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 116.9 | 169.2 | -55.8 | -178.6 | 0 | 0 | 0 | 107.1 | V250 S254 | V250-I252 VanDerWaalsContact C-N 3.26Å; V250-I252 HydrophobicContact CG1-CG1 3.88Å; V250-I252 PolarHBondContact O-N 2.84Å; I252-S254 PolarHBondContact O-N 2.82Å; I252-S254 VanDerWaalsContact O-N 3.14Å |
| 253 | L | 24.7 | Very low | 24.4 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63 | 117.9 | 169.8 | -82.5 | 81.4 | 0 | 0 | 0 | 108.1 | N251 | N251-L253 PolarHBondContact O-N 3.49Å; N251-L253 VanDerWaalsContact O-N 3.17Å |
| 254 | S | 22.8 | Very low | 24.6 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 134.6 | 158 | 51.7 | 0 | 0 | 0 | 0 | 108.5 | I252 | I252-S254 PolarHBondContact O-N 2.82Å; I252-S254 VanDerWaalsContact O-N 3.14Å |
| 255 | P | 25.5 | Very low | 24.8 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 141.6 | 178.5 | 26.3 | -34.5 | 0 | 0 | 0 | 110.5 | ||
| 256 | I | 25.5 | Very low | 24.9 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 127.7 | 170.3 | -61.2 | 172.7 | 0 | 0 | 0 | 107.5 | C258 | I256-C258 PolarHBondContact O-N 2.67Å; I256-C258 VanDerWaalsContact O-N 3.13Å |
| 257 | P | 24.1 | Very low | 25.1 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | -77.8 | 98.5 | 177.1 | 31.1 | -33.3 | 0 | 0 | 0 | 110.5 | ||||
| 258 | C | 26.7 | Very low | 25.7 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -136.8 | 116.4 | 163 | -75.4 | 0 | 0 | 0 | 0 | 109 | I256 | I256-C258 PolarHBondContact O-N 2.67Å; I256-C258 VanDerWaalsContact O-N 3.13Å | ||
| 259 | D | 25.2 | Very low | 26.3 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | -71.7 | 155.9 | 173.6 | -86.4 | -58.8 | 0 | 0 | 0 | 112.3 | ||||
| 260 | S | 26.1 | Very low | 27.1 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | 62.1 | 88.4 | 169.9 | 64.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 261 | L | 26.2 | Very low | 28.1 | Very low | 166 Ų | 166 | 129.9 Ų | 129.9 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | -175.4 | 148.7 | 95.8 | -99.8 | 155.5 | 0 | 0 | 0 | 114.4 | |||||
| 262 | N | 24.5 | Very low | 29 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | -72.9 | 123.1 | -170.8 | -64.9 | -60.4 | 0 | 0 | 0 | 114.5 | ||||
| 263 | K | 25.3 | Very low | 30 | Very low | 207 Ų | 207 | 124.8 Ų | 124.8 | 90% | 0.9 | 71% | 0.71 | S | S | * | * | -178.3 | 140.8 | 114.8 | -95.1 | 154.5 | -174.7 | 175.2 | 0 | 111 | |||||
| 264 | G | 26 | Very low | 30.9 | Very low | 80 Ų | 80 | 123.8 Ų | 123.8 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | -84.4 | 150 | -157.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 265 | V | 27.5 | Very low | 32.1 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 89% | 0.891 | 69% | 0.689 | S | S | * | * | trans | -125.4 | 134.1 | 150.9 | 178.3 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 266 | R | 27.3 | Very low | 32.9 | Very low | 224 Ų | 224 | 120.1 Ų | 120.1 | 85% | 0.845 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -94 | 147.9 | 177.8 | -76.5 | 179.3 | 170.3 | 170.5 | -4.5 | 110.8 | ||
| 267 | L | 30.7 | Very low | 33.7 | Very low | 172 Ų | 172 | 115.1 Ų | 115.1 | 90% | 0.901 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 144.8 | 176.2 | -73.8 | 157.3 | 0 | 0 | 0 | 111.3 | ||
| 268 | V | 34.9 | Very low | 34.8 | Very low | 84 Ų | 84 | 113.9 Ų | 113.9 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 137.8 | 173.2 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | A270 L272 | V268-A270 PolarHBondContact O-N 3.46Å; V268-L272 HydrophobicContact CG1-CD2 4.2Å |
| 269 | P | 36.5 | Very low | 35.7 | Very low | 70 Ų | 70 | 113.5 Ų | 113.5 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 132.6 | 176.2 | -25.5 | 35.1 | 0 | 0 | 0 | 112.6 | D271 L272 | P269-D271 PolarHBondContact O-N 3.13Å; P269-L272 PolarHBondContact O-N 3.15Å; P269-L272 VanDerWaalsContact O-N 3.16Å |
| 270 | A | 40.6 | Very low | 36.3 | Very low | 77 Ų | 77 | 109.2 Ų | 109.2 | 64% | 0.636 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.8 | -31.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V268 L272 M273 K274 | V268-A270 PolarHBondContact O-N 3.46Å; A270-L272 VanDerWaalsContact C-N 3.3Å; A270-L272 PolarHBondContact O-N 3.15Å; A270-M273 PolarHBondContact O-N 2.63Å; A270-K274 WeakPolarHBondContact O-CB 3.42Å; A270-K274 PolarHBondContact O-N 2.9Å |
| 271 | D | 43.5 | Very low | 36.9 | Very low | 90 Ų | 90 | 108.4 Ų | 108.4 | 48% | 0.481 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.2 | -32.3 | 178.3 | -63 | -48 | 0 | 0 | 0 | 112.9 | P269 K274 Q275 | P269-D271 PolarHBondContact O-N 3.13Å; D271-K274 PolarHBondContact O-N 3.29Å; D271-Q275 WeakPolarHBondContact O-CB 3.4Å; D271-Q275 WeakPolarHBondContact O-CG 2.95Å; D271-Q275 PolarHBondContact O-N 3.28Å |
| 272 | L | 42.9 | Very low | 37.5 | Very low | 47 Ų | 47 | 104.9 Ų | 104.9 | 25% | 0.246 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -70.7 | -43.5 | 177.3 | -174.5 | 66 | 0 | 0 | 0 | 111.3 | V268 P269 A270 K274 Q275 I276 A396 | V268-L272 HydrophobicContact CG1-CD2 4.2Å; P269-L272 PolarHBondContact O-N 3.15Å; P269-L272 VanDerWaalsContact O-N 3.16Å; A270-L272 VanDerWaalsContact C-N 3.3Å; A270-L272 PolarHBondContact O-N 3.15Å; L272-K274 VanDerWaalsContact C-N 3.25Å; L272-K274 PolarHBondContact O-N 3.36Å; L272-Q275 PolarHBondContact O-N 3.36Å; L272-I276 HydrophobicContact CD1-CD1 4.45Å; L272-I276 HydrophobicContact CG-CD1 4.19Å; L272-I276 VanDerWaalsContact O-CG1 3.32Å; L272-I276 WeakPolarHBondContact O-CG1 3.35Å; L272-I276 PolarHBondContact O-N 3.16Å; L272-A396 HydrophobicContact CD1-CB 4.5Å |
| 273 | M | 42.8 | Very low | 37.9 | Very low | 127 Ų | 127 | 103.5 Ų | 103.5 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.8 | -36.1 | 172.5 | -78.6 | -70.4 | -68.7 | 0 | 0 | 111.7 | A270 S277 | A270-M273 PolarHBondContact O-N 2.63Å; M273-S277 WeakPolarHBondContact O-CB 3.29Å; M273-S277 PolarHBondContact O-N 3.01Å |
| 274 | K | 44.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 101.1 Ų | 101.1 | 54% | 0.535 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69 | -48.4 | 175.4 | -173.8 | -174.4 | 170.5 | -163 | 0 | 111.8 | A270 D271 L272 I276 S277 D278 | A270-K274 WeakPolarHBondContact O-CB 3.42Å; A270-K274 PolarHBondContact O-N 2.9Å; D271-K274 PolarHBondContact O-N 3.29Å; L272-K274 VanDerWaalsContact C-N 3.25Å; L272-K274 PolarHBondContact O-N 3.36Å; K274-I276 VanDerWaalsContact C-N 3.32Å; K274-I276 PolarHBondContact O-N 3.28Å; K274-S277 CarbonylContact O-C 3.56Å; K274-S277 WeakPolarHBondContact O-CB 3.06Å; K274-S277 PolarHBondContact O-N 3.36Å; K274-S277 VanDerWaalsContact O-N 3.11Å; K274-D278 WeakPolarHBondContact CE-OD2 3.31Å; K274-D278 WeakPolarHBondContact CG-OD2 3.47Å; K274-D278 WeakPolarHBondContact O-CB 3.48Å; K274-D278 VanDerWaalsContact O-CG 3.31Å; K274-D278 PolarHBondContact O-N 3.18Å |
| 275 | Q | 46.6 | Very low | 39 | Very low | 101 Ų | 101 | 102 Ų | 102 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 176.9 | -77.5 | 175.8 | -7 | 0 | 0 | 111.7 | D271 L272 D278 F279 | D271-Q275 WeakPolarHBondContact O-CB 3.4Å; D271-Q275 WeakPolarHBondContact O-CG 2.95Å; D271-Q275 PolarHBondContact O-N 3.28Å; L272-Q275 PolarHBondContact O-N 3.36Å; Q275-D278 PolarHBondContact O-N 3.27Å; Q275-F279 WeakPolarHBondContact O-CB 3.3Å; Q275-F279 PolarHBondContact O-N 3.29Å |
| 276 | I | 42.6 | Very low | 39.2 | Very low | 40 Ų | 40 | 100.5 Ų | 100.5 | 21% | 0.205 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 175.8 | -66.7 | 167 | 0 | 0 | 0 | 111.2 | L272 K274 L280 I290 A396 | L272-I276 HydrophobicContact CD1-CD1 4.45Å; L272-I276 HydrophobicContact CG-CD1 4.19Å; L272-I276 VanDerWaalsContact O-CG1 3.32Å; L272-I276 WeakPolarHBondContact O-CG1 3.35Å; L272-I276 PolarHBondContact O-N 3.16Å; K274-I276 VanDerWaalsContact C-N 3.32Å; K274-I276 PolarHBondContact O-N 3.28Å; I276-L280 HydrophobicContact CG2-CD1 3.99Å; I276-L280 WeakPolarHBondContact O-CB 3.37Å; I276-L280 VanDerWaalsContact O-CG 3.28Å; I276-L280 WeakPolarHBondContact O-CG 3.43Å; I276-L280 PolarHBondContact O-N 3.09Å; I276-L280 VanDerWaalsContact O-N 3.15Å; I276-I290 HydrophobicContact CG2-CD1 4.07Å; I276-A396 HydrophobicContact CD1-CB 4.42Å |
| 277 | S | 43.5 | Very low | 39.5 | Very low | 44 Ų | 44 | 93 Ų | 93 | 31% | 0.308 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 175.2 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | M273 K274 L280 T281 | M273-S277 WeakPolarHBondContact O-CB 3.29Å; M273-S277 PolarHBondContact O-N 3.01Å; K274-S277 CarbonylContact O-C 3.56Å; K274-S277 WeakPolarHBondContact O-CB 3.06Å; K274-S277 PolarHBondContact O-N 3.36Å; K274-S277 VanDerWaalsContact O-N 3.11Å; S277-L280 PolarHBondContact O-N 3.32Å; S277-T281 WeakPolarHBondContact O-CB 3.1Å; S277-T281 WeakPolarHBondContact O-CG2 3.48Å; S277-T281 PolarHBondContact O-N 2.93Å; S277-T281 PolarHBondContact O-OG1 3.28Å |
| 278 | D | 46 | Very low | 39.7 | Very low | 74 Ų | 74 | 87.7 Ų | 87.7 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.3 | -36.9 | -175.8 | -67.3 | -8.7 | 0 | 0 | 0 | 110.6 | K274 Q275 L280 T281 S282 | K274-D278 WeakPolarHBondContact CE-OD2 3.31Å; K274-D278 WeakPolarHBondContact CG-OD2 3.47Å; K274-D278 WeakPolarHBondContact O-CB 3.48Å; K274-D278 VanDerWaalsContact O-CG 3.31Å; K274-D278 PolarHBondContact O-N 3.18Å; Q275-D278 PolarHBondContact O-N 3.27Å; D278-L280 PolarHBondContact O-N 2.98Å; D278-T281 PolarHBondContact O-N 3.25Å; D278-S282 WeakPolarHBondContact O-CB 3.5Å; D278-S282 PolarHBondContact O-N 2.81Å; D278-S282 PolarHBondContact O-OG 2.83Å |
| 279 | F | 45.6 | Very low | 39.9 | Very low | 102 Ų | 102 | 92.6 Ų | 92.6 | 45% | 0.447 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 172 | -172.8 | -99.7 | 0 | 0 | 0 | 112.4 | Q275 L400 | Q275-F279 WeakPolarHBondContact O-CB 3.3Å; Q275-F279 PolarHBondContact O-N 3.29Å; F279-L400 HydrophobicContact CB-CD2 4.43Å; F279-L400 HydrophobicContact CD1-CD2 3.84Å; F279-L400 HydrophobicContact CD2-CD2 4.02Å; F279-L400 HydrophobicContact CE1-CD2 3.97Å; F279-L400 HydrophobicContact CE2-CD2 4.15Å; F279-L400 HydrophobicContact CG-CD2 3.85Å; F279-L400 HydrophobicContact CZ-CD2 4.12Å |
| 280 | L | 39.1 | Very low | 40.2 | Very low | 68 Ų | 68 | 92.9 Ų | 92.9 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -80.7 | -14.4 | 179.6 | -70.7 | 173.2 | 0 | 0 | 0 | 114.6 | I276 S277 D278 I290 | I276-L280 HydrophobicContact CG2-CD1 3.99Å; I276-L280 WeakPolarHBondContact O-CB 3.37Å; I276-L280 VanDerWaalsContact O-CG 3.28Å; I276-L280 WeakPolarHBondContact O-CG 3.43Å; I276-L280 PolarHBondContact O-N 3.09Å; I276-L280 VanDerWaalsContact O-N 3.15Å; S277-L280 PolarHBondContact O-N 3.32Å; D278-L280 PolarHBondContact O-N 2.98Å; L280-I290 HydrophobicContact CD1-CD1 4.18Å |
| 281 | T | 38.1 | Very low | 40.2 | Very low | 89 Ų | 89 | 95 Ų | 95 | 55% | 0.546 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -120.3 | -11.2 | -174.8 | 59.4 | 0 | 0 | 0 | 0 | 115.5 | S277 D278 K283 | S277-T281 WeakPolarHBondContact O-CB 3.1Å; S277-T281 WeakPolarHBondContact O-CG2 3.48Å; S277-T281 PolarHBondContact O-N 2.93Å; S277-T281 PolarHBondContact O-OG1 3.28Å; D278-T281 PolarHBondContact O-N 3.25Å; T281-K283 VanDerWaalsContact C-N 3.33Å; T281-K283 PolarHBondContact O-N 3.47Å |
| 282 | S | 37.9 | Very low | 40.1 | Very low | 91 Ų | 91 | 95.9 Ų | 95.9 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -73.1 | -17.2 | 178.7 | 53.2 | 0 | 0 | 0 | 0 | 115 | D278 | D278-S282 WeakPolarHBondContact O-CB 3.5Å; D278-S282 PolarHBondContact O-N 2.81Å; D278-S282 PolarHBondContact O-OG 2.83Å |
| 283 | K | 34 | Very low | 40 | Very low | 116 Ų | 116 | 96.6 Ų | 96.6 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -109.3 | 149.1 | 172.3 | -67.2 | -177.6 | 179.6 | 176.5 | 0 | 111 | T281 Y285 D405 | T281-K283 VanDerWaalsContact C-N 3.33Å; T281-K283 PolarHBondContact O-N 3.47Å; K283-Y285 VanDerWaalsContact C-N 3.34Å; K283-Y285 HydrophobicContact CB-CD2 4.2Å; K283-Y285 HydrophobicContact CB-CE2 4.16Å; K283-Y285 PolarHBondContact O-N 2.92Å; K283-D405 IonicContact NZ-OD1 2.78Å; K283-D405 IonicContact NZ-OD2 3.64Å; K283-D405 PolarHBondContact NZ-OD2 2.72Å |
| 284 | Q | 35.6 | Very low | 39.8 | Very low | 157 Ų | 157 | 95.4 Ų | 95.4 | 73% | 0.734 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -71.4 | 62.6 | -162 | -62.2 | -176.5 | -40.7 | 0 | 0 | 116.4 | ||
| 285 | Y | 37.6 | Very low | 39.2 | Very low | 98 Ų | 98 | 92.5 Ų | 92.5 | 38% | 0.384 | 49% | 0.49 | S | S | . | . | trans | -131.9 | 140 | -179.4 | -56.6 | -68.4 | 0 | 0 | 0 | 113.3 | K283 H408 | K283-Y285 VanDerWaalsContact C-N 3.34Å; K283-Y285 HydrophobicContact CB-CD2 4.2Å; K283-Y285 HydrophobicContact CB-CE2 4.16Å; K283-Y285 PolarHBondContact O-N 2.92Å; Y285-H408 AromaticContact CE1-CD2 3.91Å; Y285-H408 AromaticContact CE1-CE1 3.73Å; Y285-H408 AromaticContact CE1-NE2 3.48Å; Y285-H408 WeakPolarHBondContact CE1-NE2 3.49Å; Y285-H408 AromaticContact CZ-CD2 3.84Å; Y285-H408 AromaticContact CZ-NE2 3.84Å; Y285-H408 PolarHBondContact OH-CD2 3.15Å; Y285-H408 VanDerWaalsContact OH-CD2 3.32Å; Y285-H408 PolarHBondContact OH-NE2 2.87Å | ||
| 286 | P | 31.9 | Very low | 38.4 | Very low | 117 Ų | 117 | 93.8 Ų | 93.8 | 76% | 0.76 | 50% | 0.5 | S | S | * | . | trans | -85.4 | 119.2 | -175.4 | 32 | -33.4 | 0 | 0 | 0 | 113.3 | ||||
| 287 | A | 34.2 | Very low | 37.9 | Very low | 66 Ų | 66 | 98.4 Ų | 98.4 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | trans | 54.5 | 76.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 288 | A | 36 | Very low | 37.1 | Very low | 61 Ų | 61 | 104.1 Ų | 104.1 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | trans | -79.9 | 134.1 | 143.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 289 | R | 39 | Very low | 36.3 | Very low | 187 Ų | 187 | 108.8 Ų | 108.8 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | trans | -115.9 | 129.4 | 167.9 | -92.1 | -178.7 | 168.8 | 164.7 | -2.5 | 109 | T332 V333 | R289-T332 VanDerWaalsContact O-O 3.13Å; R289-V333 WeakPolarHBondContact O-CA 3.32Å | ||
| 290 | I | 41.1 | Very low | 35.2 | Very low | 76 Ų | 76 | 108.5 Ų | 108.5 | 39% | 0.39 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96 | 123.7 | 164.1 | -59.7 | 175.3 | 0 | 0 | 0 | 107 | I276 L280 I331 | I276-I290 HydrophobicContact CG2-CD1 4.07Å; L280-I290 HydrophobicContact CD1-CD1 4.18Å; I290-I331 HydrophobicContact CG2-CG2 4.12Å |
| 291 | K | 40.7 | Very low | 34.5 | Very low | 121 Ų | 121 | 113.4 Ų | 113.4 | 53% | 0.526 | 61% | 0.614 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.1 | 170.9 | -165.2 | -173.5 | -179.3 | -168.3 | 0 | 108.4 | L293 T332 | K291-L293 HydrophobicContact CD-CD1 3.98Å; K291-L293 HydrophobicContact CD-CD2 4.48Å; K291-L293 HydrophobicContact CD-CG 4.06Å; K291-L293 HydrophobicContact CG-CG 4.22Å; K291-T332 PolarHBondContact N-O 2.88Å; K291-T332 VanDerWaalsContact N-O 3.12Å; K291-T332 PolarHBondContact O-N 2.82Å; K291-T332 VanDerWaalsContact O-N 3.1Å |
| 292 | L | 41.9 | Very low | 33.7 | Very low | 108 Ų | 108 | 114.7 Ų | 114.7 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 114.6 | 170.1 | -69.3 | 167.8 | 0 | 0 | 0 | 108.2 | E330 I331 | L292-E330 WeakPolarHBondContact CA-O 3.45Å; L292-I331 HydrophobicContact CD2-CG1 3.87Å |
| 293 | L | 41 | Very low | 33 | Very low | 62 Ų | 62 | 121.6 Ų | 121.6 | 33% | 0.325 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.8 | 137 | 174.7 | -79.9 | 167.3 | 0 | 0 | 0 | 110.8 | K291 E330 | K291-L293 HydrophobicContact CD-CD1 3.98Å; K291-L293 HydrophobicContact CD-CD2 4.48Å; K291-L293 HydrophobicContact CD-CG 4.06Å; K291-L293 HydrophobicContact CG-CG 4.22Å; L293-E330 HydrophobicContact CB-CB 4.23Å; L293-E330 PolarHBondContact N-O 3.44Å; L293-E330 VanDerWaalsContact N-O 3.08Å; L293-E330 PolarHBondContact O-N 3.05Å |
| 294 | N | 37.7 | Very low | 32.3 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | trans | -87.9 | 123.4 | 167.3 | -166.3 | 33 | 0 | 0 | 0 | 107.8 | D296 L326 | N294-D296 PolarHBondContact O-N 3Å; N294-L326 WeakPolarHBondContact ND2-CD2 3.4Å; N294-L326 WeakPolarHBondContact OD1-CD2 3.1Å | ||
| 295 | S | 32.5 | Very low | 31.7 | Very low | 62 Ų | 62 | 122.7 Ų | 122.7 | 43% | 0.434 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -87.7 | 74.3 | -162.3 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | N327 | S295-N327 PolarHBondContact OG-O 2.94Š|
| 296 | D | 31 | Very low | 30.9 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 68% | 0.684 | 66% | 0.662 | S | S | * | * | trans | -145.6 | 60.1 | 173.9 | -99.3 | -38.1 | 0 | 0 | 0 | 112.8 | N294 | N294-D296 PolarHBondContact O-N 3Š| ||
| 297 | T | 30.6 | Very low | 30.5 | Very low | 137 Ų | 137 | 123 Ų | 123 | 84% | 0.84 | 66% | 0.658 | S | S | * | * | trans | -162 | 86.5 | 150.4 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 298 | N | 27.5 | Very low | 29.9 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 88% | 0.882 | 67% | 0.669 | S | S | * | * | trans | -132.3 | 94.2 | 163.5 | -106.8 | -12.7 | 0 | 0 | 0 | 108.8 | ||||
| 299 | N | 29.1 | Very low | 29.2 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 92% | 0.92 | 68% | 0.684 | S | S | * | * | trans | -162.1 | 123.9 | 148.3 | -102.2 | -10.7 | 0 | 0 | 0 | 108.1 | ||||
| 300 | S | 23.1 | Very low | 28.4 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 68% | 0.683 | S | S | * | * | trans | -90.4 | 166.2 | 174.6 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 301 | E | 23.7 | Very low | 27.5 | Very low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | trans | 71 | 110.5 | 159.5 | -73 | 155.7 | -135.6 | 0 | 0 | 119.7 | ||||
| 302 | V | 22.2 | Very low | 26.7 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 70% | 0.697 | 70% | 0.703 | S | S | * | * | trans | 48.3 | 102.1 | 131.5 | -168.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 303 | Y | 21.9 | Very low | 25.7 | Very low | 236 Ų | 236 | 132.7 Ų | 132.7 | 93% | 0.925 | 71% | 0.712 | S | S | * | * | -132 | 120.6 | 127.4 | -95 | -77.7 | 0 | 0 | 0 | 110.4 | |||||
| 304 | S | 20.1 | Very low | 24.9 | Very low | 88 Ų | 88 | 135 Ų | 135 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | trans | -119.4 | 128.2 | 169.4 | 55.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 305 | F | 22.6 | Very low | 24.3 | Very low | 208 Ų | 208 | 136.6 Ų | 136.6 | 91% | 0.912 | 74% | 0.737 | S | S | * | * | trans | -154.6 | 138.4 | 156.6 | -106.6 | -70.7 | 0 | 0 | 0 | 111.6 | ||||
| 306 | S | 21.2 | Very low | 23.8 | Very low | 93 Ų | 93 | 143 Ų | 143 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | trans | -92.9 | 176.3 | 161.7 | 54.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 307 | N | 22.8 | Very low | 23.5 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 69% | 0.69 | 76% | 0.757 | S | S | * | * | cis | -138.4 | 159.4 | 23.6 | -55.6 | -36.1 | 0 | 0 | 0 | 112.6 | ||||
| 308 | D | 22.3 | Very low | 23.6 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | trans | 29.5 | 141.8 | 135.1 | -50 | -27.9 | 0 | 0 | 0 | 123.6 | ||||
| 309 | C | 21.9 | Very low | 23.3 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | 71.5 | 140.2 | 160.4 | -64.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 310 | D | 21.9 | Very low | 23.2 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | cis | -156 | 164 | -1.2 | -150.3 | -6 | 0 | 0 | 0 | 111.9 | ||||
| 311 | Q | 22.3 | Very low | 23.2 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | trans | 62.2 | 131.8 | 154.8 | -78.4 | 170.2 | 60.1 | 0 | 0 | 124.2 | ||||
| 312 | N | 22.9 | Very low | 23.5 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | trans | 79.9 | 110.5 | 137 | -59.1 | -7.6 | 0 | 0 | 0 | 124.1 | ||||
| 313 | E | 21.9 | Very low | 23.6 | Very low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | 70.3 | 107.2 | 121.5 | -64.8 | -159.5 | 139.1 | 0 | 0 | 124.2 | |||||
| 314 | T | 22.9 | Very low | 23.9 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | 93.7 | 140.5 | 126.7 | 66.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 315 | N | 25.1 | Very low | 24.3 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 80.1 | 112.6 | 151.9 | -61 | -33.8 | 0 | 0 | 0 | 122.3 | ||||
| 316 | Y | 22.2 | Very low | 24.6 | Very low | 198 Ų | 198 | 135.4 Ų | 135.4 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | 10.5 | 147.9 | 124.4 | -66.6 | -68.3 | 0 | 0 | 0 | 119.5 | |||||
| 317 | H | 24.8 | Very low | 25.1 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | cis | -156.4 | -164 | 13 | -126.9 | -27.2 | 0 | 0 | 0 | 110.2 | ||||
| 318 | P | 33.2 | Very low | 25.8 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -120.4 | 174.1 | -152.8 | 43.2 | -26.1 | 0 | 0 | 0 | 115.9 | ||||
| 319 | S | 21.8 | Very low | 26.7 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 90% | 0.902 | 72% | 0.724 | S | S | * | * | trans | 159 | 156.7 | 139.9 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 320 | G | 26.2 | Very low | 27.8 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | trans | 146.4 | 115.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 321 | D | 23.7 | Very low | 29 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | trans | -74.1 | 129.6 | 178.6 | -69.9 | -76.4 | 0 | 0 | 0 | 113.6 | ||||
| 322 | H | 28.8 | Very low | 29.9 | Very low | 192 Ų | 192 | 115.7 Ų | 115.7 | 89% | 0.889 | 65% | 0.646 | S | S | * | * | trans | -140.5 | 105.1 | 155 | -84.3 | -41.5 | 0 | 0 | 0 | 112.6 | S324 | H322-S324 PolarHBondContact O-N 3.3Š| ||
| 323 | T | 24.8 | Very low | 31 | Very low | 125 Ų | 125 | 111.7 Ų | 111.7 | 77% | 0.767 | 63% | 0.626 | S | S | * | * | trans | -82.9 | 108.4 | 172.5 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 324 | S | 28.5 | Very low | 32 | Very low | 123 Ų | 123 | 104.8 Ų | 104.8 | 86% | 0.86 | 60% | 0.595 | S | S | * | * | trans | -80.4 | 157.7 | 166 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | H322 | H322-S324 PolarHBondContact O-N 3.3Š| ||
| 325 | K | 28.1 | Very low | 33.3 | Very low | 154 Ų | 154 | 102.3 Ų | 102.3 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | trans | -119.9 | 131.9 | -169.3 | -66 | 168.2 | -176.9 | 166.2 | 0 | 110.7 | N327 | K325-N327 PolarHBondContact O-N 3.2Å; K325-N327 PolarHBondContact O-ND2 3.01Å | ||
| 326 | L | 28.8 | Very low | 34.1 | Very low | 137 Ų | 137 | 101.8 Ų | 101.8 | 72% | 0.717 | 57% | 0.566 | S | S | * | * | trans | -61.4 | 105.3 | 167.1 | -72.3 | 161.9 | 0 | 0 | 0 | 109.4 | N294 | N294-L326 WeakPolarHBondContact ND2-CD2 3.4Å; N294-L326 WeakPolarHBondContact OD1-CD2 3.1Å | ||
| 327 | N | 32.5 | Very low | 35.1 | Very low | 130 Ų | 130 | 94 Ų | 94 | 70% | 0.695 | 55% | 0.546 | S | S | * | . | trans | -119.1 | 74.4 | -174 | -75.3 | -37.4 | 0 | 0 | 0 | 111.2 | S295 K325 | S295-N327 PolarHBondContact OG-O 2.94Å; K325-N327 PolarHBondContact O-N 3.2Å; K325-N327 PolarHBondContact O-ND2 3.01Å | ||
| 328 | G | 38.2 | Very low | 36.3 | Very low | 46 Ų | 46 | 86.5 Ų | 86.5 | 47% | 0.474 | 51% | 0.511 | S | S | . | . | trans | 131.4 | 157.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 329 | C | 41.1 | Very low | 36.9 | Very low | 67 Ų | 67 | 87.7 Ų | 87.7 | 45% | 0.453 | 51% | 0.507 | S | S | . | . | trans | -145.6 | 114.9 | 168.6 | -172.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 330 | E | 43.5 | Very low | 38.2 | Very low | 58 Ų | 58 | 84.3 Ų | 84.3 | 27% | 0.271 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 124.5 | -178.9 | -168.8 | -164.2 | 144.2 | 0 | 0 | 109.4 | L292 L293 T332 | L292-E330 WeakPolarHBondContact CA-O 3.45Å; L293-E330 HydrophobicContact CB-CB 4.23Å; L293-E330 PolarHBondContact N-O 3.44Å; L293-E330 VanDerWaalsContact N-O 3.08Å; L293-E330 PolarHBondContact O-N 3.05Å; E330-T332 WeakPolarHBondContact OE1-CG2 3.45Å; E330-T332 PolarHBondContact OE1-OG1 2.83Å |
| 331 | I | 47.1 | Very low | 39.3 | Very low | 29 Ų | 29 | 86.9 Ų | 86.9 | 15% | 0.149 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 85.9 | 170.2 | -53.2 | 178.2 | 0 | 0 | 0 | 107.6 | I290 L292 V333 L378 I395 | I290-I331 HydrophobicContact CG2-CG2 4.12Å; L292-I331 HydrophobicContact CD2-CG1 3.87Å; I331-V333 HydrophobicContact CG2-CG2 4.45Å; I331-V333 PolarHBondContact O-N 3.01Å; I331-L378 HydrophobicContact CB-CD1 4.45Å; I331-L378 HydrophobicContact CD1-CD1 4.41Å; I331-I395 HydrophobicContact CD1-CG2 4.24Å |
| 332 | T | 42.2 | Very low | 40.6 | Very low | 15 Ų | 15 | 83.6 Ų | 83.6 | 9% | 0.092 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 125.2 | 175.7 | -21.9 | 0 | 0 | 0 | 0 | 109.6 | R289 K291 E330 K375 | R289-T332 VanDerWaalsContact O-O 3.13Å; K291-T332 PolarHBondContact N-O 2.88Å; K291-T332 VanDerWaalsContact N-O 3.12Å; K291-T332 PolarHBondContact O-N 2.82Å; K291-T332 VanDerWaalsContact O-N 3.1Å; E330-T332 WeakPolarHBondContact OE1-CG2 3.45Å; E330-T332 PolarHBondContact OE1-OG1 2.83Å; T332-K375 HydrophobicContact CG2-CG 4.46Å |
| 333 | V | 46.2 | Very low | 41.7 | Very low | 42 Ų | 42 | 75.2 Ų | 75.2 | 26% | 0.255 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 114.2 | 167.7 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | R289 I331 G374 F376 | R289-V333 WeakPolarHBondContact O-CA 3.32Å; I331-V333 HydrophobicContact CG2-CG2 4.45Å; I331-V333 PolarHBondContact O-N 3.01Å; V333-G374 VanDerWaalsContact O-O 3.05Å; V333-F376 HydrophobicContact CB-CD2 4.39Å; V333-F376 WeakPolarHBondContact O-CD2 3.3Å |
| 334 | S | 43.2 | Very low | 43.1 | Very low | 15 Ų | 15 | 69.3 Ų | 69.3 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 122.3 | 177.5 | -61.1 | 0 | 0 | 0 | 0 | 111 | E373 | S334-E373 PolarHBondContact OG-OE2 3.11Å |
| 335 | I | 48.5 | Very low | 44.4 | Very low | 58 Ų | 58 | 72.2 Ų | 72.2 | 30% | 0.297 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.8 | 168.4 | -56.7 | -179.6 | 0 | 0 | 0 | 109.2 | M338 G374 F376 | I335-M338 HydrophobicContact CG2-SD 4.47Å; I335-G374 PolarHBondContact N-O 3.37Å; I335-G374 PolarHBondContact O-N 2.81Å; I335-F376 HydrophobicContact CD1-CE2 3.79Å; I335-F376 HydrophobicContact CD1-CZ 4.24Å; I335-F376 HydrophobicContact CG1-CE2 4.19Å |
| 336 | Y | 41.7 | Very low | 45.7 | Very low | 125 Ų | 125 | 70.8 Ų | 70.8 | 49% | 0.49 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 144.2 | -179.1 | -66.1 | -77.2 | 0 | 0 | 0 | 112.5 | E373 | Y336-E373 HydrophobicContact CD1-CG 4.17Å; Y336-E373 HydrophobicContact CE1-CG 3.61Å; Y336-E373 WeakPolarHBondContact CE1-OE1 3.49Å; Y336-E373 PolarHBondContact OH-OE1 3.35Å |
| 337 | G | 43.7 | Very low | 47 | Very low | 34 Ų | 34 | 65.3 Ų | 65.3 | 35% | 0.351 | 35% | 0.347 | S | S | . | . | trans | 99.2 | 7.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116 | F416 | G337-F416 WeakPolarHBondContact O-CE1 3.3Š| ||
| 338 | M | 50.4 | Low | 48.2 | Very low | 6 Ų | 6 | 61.3 Ų | 61.3 | 3% | 0.03 | 32% | 0.324 | C | S | . | . | trans | -79.9 | 128.1 | 175.4 | -68 | -176.3 | 64.8 | 0 | 0 | 111.3 | I335 V344 I347 | I335-M338 HydrophobicContact CG2-SD 4.47Å; M338-V344 HydrophobicContact CE-CB 4.36Å; M338-V344 HydrophobicContact CE-CG2 3.56Å; M338-I347 HydrophobicContact CE-CD1 3.7Å; M338-I347 HydrophobicContact SD-CD1 4.15Å | ||
| 339 | H | 45.1 | Very low | 49.3 | Very low | 129 Ų | 129 | 62 Ų | 62 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | trans | -130.5 | 8.5 | -169.4 | -65.3 | -12.1 | 0 | 0 | 0 | 115.5 | ||||
| 340 | C | 50.1 | Low | 50 | Low | 59 Ų | 59 | 62.5 Ų | 62.5 | 40% | 0.399 | 32% | 0.315 | S | S | . | . | trans | -150.5 | 150.6 | 170 | 86.6 | 0 | 0 | 0 | 0 | 114.6 | S342 C343 | C340-S342 PolarHBondContact O-N 2.78Å; C340-C343 PolarHBondContact O-N 2.9Å | ||
| 341 | H | 49.4 | Very low | 50.4 | Low | 129 Ų | 129 | 63.1 Ų | 63.1 | 60% | 0.597 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66 | -20.8 | -174.6 | -129.9 | -49.1 | 0 | 0 | 0 | 114.5 | R345 | H341-R345 PolarHBondContact O-N 3.08Å |
| 342 | S | 50.6 | Low | 50.6 | Low | 82 Ų | 82 | 64.6 Ų | 64.6 | 57% | 0.573 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -76.4 | -38.8 | 178.8 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | C340 V344 R345 K346 | C340-S342 PolarHBondContact O-N 2.78Å; S342-V344 VanDerWaalsContact C-N 3.32Å; S342-V344 PolarHBondContact O-N 2.87Å; S342-R345 PolarHBondContact O-N 3.37Å; S342-K346 PolarHBondContact O-N 3.4Å |
| 343 | C | 51.2 | Low | 51.1 | Low | 16 Ų | 16 | 69.3 Ų | 69.3 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | 175.5 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | C340 K346 I347 F416 | C340-C343 PolarHBondContact O-N 2.9Å; C343-K346 PolarHBondContact O-N 3.03Å; C343-I347 WeakPolarHBondContact O-CG1 3.5Å; C343-I347 PolarHBondContact O-N 3.06Å; C343-F416 HydrophobicContact CB-CE2 3.85Å; C343-F416 HydrophobicContact CB-CZ 3.85Å |
| 344 | V | 56.2 | Low | 50.9 | Low | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.3 | -55.8 | 170.3 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | M338 S342 K346 I347 E348 V367 L369 | M338-V344 HydrophobicContact CE-CB 4.36Å; M338-V344 HydrophobicContact CE-CG2 3.56Å; S342-V344 VanDerWaalsContact C-N 3.32Å; S342-V344 PolarHBondContact O-N 2.87Å; V344-K346 PolarHBondContact O-N 2.93Å; V344-K346 VanDerWaalsContact O-N 3.16Å; V344-I347 PolarHBondContact O-N 3.31Å; V344-E348 HydrophobicContact CG1-CG 4.09Å; V344-E348 PolarHBondContact O-N 3.13Å; V344-V367 HydrophobicContact CB-CG1 4.44Å; V344-V367 HydrophobicContact CG1-CB 3.61Å; V344-V367 HydrophobicContact CG1-CG1 3.64Å; V344-V367 HydrophobicContact CG1-CG2 4.44Å; V344-V367 HydrophobicContact CG2-CG1 4Å; V344-L369 HydrophobicContact CG2-CD1 3.56Å; V344-L369 HydrophobicContact CG2-CG 3.83Å |
| 345 | R | 55.5 | Low | 51 | Low | 184 Ų | 184 | 77.6 Ų | 77.6 | 69% | 0.694 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.8 | -30.3 | -177.2 | -78.8 | -171.2 | 174.3 | -176 | 0.4 | 114.1 | H341 S342 S349 | H341-R345 PolarHBondContact O-N 3.08Å; S342-R345 PolarHBondContact O-N 3.37Å; R345-S349 PolarHBondContact O-N 3.27Å; R345-S349 PolarHBondContact O-OG 3.01Å |
| 346 | K | 55.1 | Low | 50.9 | Low | 123 Ų | 123 | 78.2 Ų | 78.2 | 54% | 0.535 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.4 | -35.7 | 174.4 | -84.6 | -170.2 | 170.9 | -172.8 | 0 | 113.6 | S342 C343 V344 S349 Y350 L414 | S342-K346 PolarHBondContact O-N 3.4Å; C343-K346 PolarHBondContact O-N 3.03Å; V344-K346 PolarHBondContact O-N 2.93Å; V344-K346 VanDerWaalsContact O-N 3.16Å; K346-S349 WeakPolarHBondContact CA-OG 3.38Å; K346-S349 PolarHBondContact O-N 2.91Å; K346-S349 PolarHBondContact O-OG 3.34Å; K346-Y350 PolarHBondContact O-N 3.04Å; K346-Y350 VanDerWaalsContact O-N 3.14Å; K346-L414 HydrophobicContact CD-CD2 3.71Å |
| 347 | I | 56.3 | Low | 51 | Low | 22 Ų | 22 | 76.5 Ų | 76.5 | 11% | 0.113 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -74.6 | -40 | 175.1 | -64.9 | 169.7 | 0 | 0 | 0 | 109.8 | M338 C343 V344 S349 Y350 F351 F376 L411 | M338-I347 HydrophobicContact CE-CD1 3.7Å; M338-I347 HydrophobicContact SD-CD1 4.15Å; C343-I347 WeakPolarHBondContact O-CG1 3.5Å; C343-I347 PolarHBondContact O-N 3.06Å; V344-I347 PolarHBondContact O-N 3.31Å; I347-S349 VanDerWaalsContact C-N 3.32Å; I347-S349 PolarHBondContact O-N 3.08Å; I347-Y350 PolarHBondContact O-N 3.02Å; I347-Y350 VanDerWaalsContact O-N 3.15Å; I347-F351 HydrophobicContact CG2-CD2 4.04Å; I347-F351 HydrophobicContact CG2-CE2 4.05Å; I347-F351 WeakPolarHBondContact O-CD2 3.37Å; I347-F351 PolarHBondContact O-N 2.79Å; I347-F351 VanDerWaalsContact O-N 3.16Å; I347-F376 HydrophobicContact CG2-CE1 4Å; I347-F376 HydrophobicContact CG2-CZ 3.81Å; I347-L411 HydrophobicContact CD1-CD2 3.91Å |
| 348 | E | 57.2 | Low | 51.1 | Low | 46 Ų | 46 | 81.9 Ų | 81.9 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.7 | -42.8 | 169.2 | -72.1 | -178.3 | 136.4 | 0 | 0 | 111.6 | V344 Y350 N352 V367 | V344-E348 HydrophobicContact CG1-CG 4.09Å; V344-E348 PolarHBondContact O-N 3.13Å; E348-Y350 PolarHBondContact O-N 3.31Å; E348-N352 WeakPolarHBondContact O-CB 3.33Å; E348-N352 PolarHBondContact O-N 3.43Å; E348-N352 PolarHBondContact O-ND2 2.95Å; E348-V367 HydrophobicContact CG-CB 4.06Å; E348-V367 HydrophobicContact CG-CG2 3.65Å; E348-V367 PolarHBondContact OE1-N 3.47Å |
| 349 | S | 61.1 | Low | 50.9 | Low | 62 Ų | 62 | 87.7 Ų | 87.7 | 43% | 0.434 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 175.5 | 56.9 | 0 | 0 | 0 | 0 | 113 | R345 K346 I347 N352 E353 | R345-S349 PolarHBondContact O-N 3.27Å; R345-S349 PolarHBondContact O-OG 3.01Å; K346-S349 WeakPolarHBondContact CA-OG 3.38Å; K346-S349 PolarHBondContact O-N 2.91Å; K346-S349 PolarHBondContact O-OG 3.34Å; I347-S349 VanDerWaalsContact C-N 3.32Å; I347-S349 PolarHBondContact O-N 3.08Å; S349-N352 CarbonylContact O-C 3.39Å; S349-N352 WeakPolarHBondContact O-CA 3.39Å; S349-N352 PolarHBondContact O-N 3.29Å; S349-E353 PolarHBondContact O-N 3.01Å; S349-E353 VanDerWaalsContact O-N 3.12Å |
| 350 | Y | 55.4 | Low | 51 | Low | 77 Ų | 77 | 84.6 Ų | 84.6 | 30% | 0.302 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | -179.3 | -147.5 | -94.4 | 0 | 0 | 0 | 112.4 | K346 I347 E348 N352 E353 K406 | K346-Y350 PolarHBondContact O-N 3.04Å; K346-Y350 VanDerWaalsContact O-N 3.14Å; I347-Y350 PolarHBondContact O-N 3.02Å; I347-Y350 VanDerWaalsContact O-N 3.15Å; E348-Y350 PolarHBondContact O-N 3.31Å; Y350-N352 PolarHBondContact O-N 3.33Å; Y350-E353 PolarHBondContact O-N 2.81Å; Y350-K406 WeakPolarHBondContact OH-CE 3.48Å; Y350-K406 PolarHBondContact OH-NZ 2.92Å |
| 351 | F | 51.8 | Low | 50.7 | Low | 70 Ų | 70 | 87.5 Ų | 87.5 | 31% | 0.307 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -5.7 | 171.5 | -79.4 | -78.6 | 0 | 0 | 0 | 113.8 | I347 F376 | I347-F351 HydrophobicContact CG2-CD2 4.04Å; I347-F351 HydrophobicContact CG2-CE2 4.05Å; I347-F351 WeakPolarHBondContact O-CD2 3.37Å; I347-F351 PolarHBondContact O-N 2.79Å; I347-F351 VanDerWaalsContact O-N 3.16Å; F351-F376 AromaticContact CD2-CE1 3.98Å; F351-F376 HydrophobicContact CD2-CE1 3.98Å; F351-F376 AromaticContact CE2-CE1 3.94Å; F351-F376 HydrophobicContact CE2-CE1 3.94Å; F351-F376 HydrophobicContact CE2-CZ 4.27Å |
| 352 | N | 52 | Low | 50.6 | Low | 61 Ų | 61 | 84 Ų | 84 | 33% | 0.326 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -4.3 | 176.2 | -85.5 | -79.9 | 0 | 0 | 0 | 114 | E348 S349 Y350 K357 | E348-N352 WeakPolarHBondContact O-CB 3.33Å; E348-N352 PolarHBondContact O-N 3.43Å; E348-N352 PolarHBondContact O-ND2 2.95Å; S349-N352 CarbonylContact O-C 3.39Å; S349-N352 WeakPolarHBondContact O-CA 3.39Å; S349-N352 PolarHBondContact O-N 3.29Å; Y350-N352 PolarHBondContact O-N 3.33Å; N352-K357 PolarHBondContact OD1-NZ 2.79Å |
| 353 | E | 52.9 | Low | 50.2 | Low | 113 Ų | 113 | 86.1 Ų | 86.1 | 53% | 0.528 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -66.4 | 146.3 | 171.5 | -70.7 | -172.1 | 173.8 | 0 | 0 | 110.9 | S349 Y350 P355 | S349-E353 PolarHBondContact O-N 3.01Å; S349-E353 VanDerWaalsContact O-N 3.12Å; Y350-E353 PolarHBondContact O-N 2.81Å; E353-P355 VanDerWaalsContact C-CD 3.42Å; E353-P355 WeakPolarHBondContact O-CD 3.46Å |
| 354 | E | 42.6 | Very low | 49.8 | Very low | 137 Ų | 137 | 89.6 Ų | 89.6 | 64% | 0.64 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62.1 | -34 | -156 | -62.1 | -162.4 | 100.9 | 0 | 0 | 118.7 | V356 K357 Q358 | E354-V356 VanDerWaalsContact C-N 3.32Å; E354-V356 PolarHBondContact O-N 3.09Å; E354-K357 PolarHBondContact O-N 2.9Å; E354-K357 VanDerWaalsContact O-N 3.1Å; E354-Q358 PolarHBondContact O-N 3.33Å |
| 355 | P | 44 | Very low | 49.4 | Very low | 95 Ų | 95 | 90.9 Ų | 90.9 | 62% | 0.617 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.1 | -33.5 | -174.1 | 24.3 | -33.4 | 0 | 0 | 0 | 113.2 | E353 K357 | E353-P355 VanDerWaalsContact C-CD 3.42Å; E353-P355 WeakPolarHBondContact O-CD 3.46Å; P355-K357 VanDerWaalsContact C-N 3.34Å |
| 356 | V | 46.2 | Very low | 48.9 | Very low | 70 Ų | 70 | 90.9 Ų | 90.9 | 42% | 0.424 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -73.4 | -31.4 | 176.9 | -176.4 | 0 | 0 | 0 | 0 | 111 | E354 | E354-V356 VanDerWaalsContact C-N 3.32Å; E354-V356 PolarHBondContact O-N 3.09Å |
| 357 | K | 44.1 | Very low | 48.7 | Very low | 90 Ų | 90 | 85.7 Ų | 85.7 | 39% | 0.391 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -82.2 | -35.5 | -171.5 | -153.4 | 166 | -177.2 | 173.7 | 0 | 112.9 | N352 E354 P355 N361 | N352-K357 PolarHBondContact OD1-NZ 2.79Å; E354-K357 PolarHBondContact O-N 2.9Å; E354-K357 VanDerWaalsContact O-N 3.1Å; P355-K357 VanDerWaalsContact C-N 3.34Å; K357-N361 PolarHBondContact O-N 3.28Å |
| 358 | Q | 47 | Very low | 48.2 | Very low | 147 Ų | 147 | 87.2 Ų | 87.2 | 69% | 0.687 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -75.3 | -33.7 | 179.6 | -67.8 | -175.4 | 7.1 | 0 | 0 | 113.4 | E354 | E354-Q358 PolarHBondContact O-N 3.33Å |
| 359 | L | 46.2 | Very low | 47.6 | Very low | 127 Ų | 127 | 87.5 Ų | 87.5 | 67% | 0.665 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -72.4 | -31.3 | -176.2 | -97.5 | 152.3 | 0 | 0 | 0 | 114.5 | ||
| 360 | Y | 47.2 | Very low | 46.7 | Very low | 64 Ų | 64 | 86.7 Ų | 86.7 | 25% | 0.251 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -127.6 | -0 | -169.3 | -63.2 | -74.4 | 0 | 0 | 0 | 115.7 | F362 | Y360-F362 VanDerWaalsContact C-N 3.27Å; Y360-F362 HydrophobicContact CD2-CE2 4.42Å; Y360-F362 HydrophobicContact CG-CE2 4.03Å; Y360-F362 HydrophobicContact CG-CZ 4.35Å; Y360-F362 PolarHBondContact O-N 3.25Å |
| 361 | N | 42 | Very low | 46.1 | Very low | 120 Ų | 120 | 89.7 Ų | 89.7 | 64% | 0.642 | 45% | 0.45 | S | S | * | . | trans | 58.9 | 31.6 | 168 | -147.1 | -9.1 | 0 | 0 | 0 | 114.8 | K357 | K357-N361 PolarHBondContact O-N 3.28Š| ||
| 362 | F | 48.7 | Very low | 45.5 | Very low | 56 Ų | 56 | 93 Ų | 93 | 25% | 0.246 | 46% | 0.464 | C | S | . | . | trans | -72.2 | 132.3 | 175.1 | -59.3 | -58.6 | 0 | 0 | 0 | 111.2 | Y360 L378 | Y360-F362 VanDerWaalsContact C-N 3.27Å; Y360-F362 HydrophobicContact CD2-CE2 4.42Å; Y360-F362 HydrophobicContact CG-CE2 4.03Å; Y360-F362 HydrophobicContact CG-CZ 4.35Å; Y360-F362 PolarHBondContact O-N 3.25Å; F362-L378 HydrophobicContact CB-CD2 4.25Å; F362-L378 HydrophobicContact CD1-CD2 4Å; F362-L378 HydrophobicContact CD2-CD2 4.27Å; F362-L378 HydrophobicContact CE1-CD2 4.39Å; F362-L378 HydrophobicContact CG-CD2 3.93Å | ||
| 363 | K | 41.8 | Very low | 45 | Very low | 126 Ų | 126 | 92 Ų | 92 | 55% | 0.548 | 46% | 0.457 | S | S | . | . | trans | -105.6 | -22 | -165.6 | -131 | 165.6 | -167 | 168.1 | 0 | 116.2 | E379 S381 | K363-E379 PolarHBondContact N-O 2.73Å; K363-S381 VanDerWaalsContact CD-CB 3.46Å; K363-S381 VanDerWaalsContact CD-OG 3.3Å; K363-S381 WeakPolarHBondContact CD-OG 3.17Å; K363-S381 PolarHBondContact NZ-OG 2.92Å | ||
| 364 | N | 43.7 | Very low | 44.8 | Very low | 89 Ų | 89 | 86.7 Ų | 86.7 | 48% | 0.476 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 136.8 | 167.3 | -81.4 | -49.4 | 0 | 0 | 0 | 109.5 | ||
| 365 | C | 47 | Very low | 44.9 | Very low | 29 Ų | 29 | 83.1 Ų | 83.1 | 20% | 0.196 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131 | 150.7 | -78.2 | 0 | 0 | 0 | 0 | 106.6 | ||
| 366 | R | 45.6 | Very low | 45 | Very low | 184 Ų | 184 | 79.6 Ų | 79.6 | 69% | 0.694 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.4 | 164.7 | -76.4 | -177.3 | 175.3 | 174.1 | -0.3 | 108.2 | K375 | R366-K375 VanDerWaalsContact O-O 3.11Å |
| 367 | V | 50 | Low | 45 | Very low | 15 Ų | 15 | 79.4 Ų | 79.4 | 9% | 0.091 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 107.7 | 166.6 | 177.5 | 0 | 0 | 0 | 0 | 109.8 | V344 E348 K375 F376 | V344-V367 HydrophobicContact CB-CG1 4.44Å; V344-V367 HydrophobicContact CG1-CB 3.61Å; V344-V367 HydrophobicContact CG1-CG1 3.64Å; V344-V367 HydrophobicContact CG1-CG2 4.44Å; V344-V367 HydrophobicContact CG2-CG1 4Å; E348-V367 HydrophobicContact CG-CB 4.06Å; E348-V367 HydrophobicContact CG-CG2 3.65Å; E348-V367 PolarHBondContact OE1-N 3.47Å; V367-K375 WeakPolarHBondContact CA-O 3.4Å; V367-F376 HydrophobicContact CG2-CD1 3.78Å; V367-F376 HydrophobicContact CG2-CE1 3.62Å; V367-F376 HydrophobicContact CG2-CG 4.49Å; V367-F376 HydrophobicContact CG2-CZ 4.21Å |
| 368 | S | 45.3 | Very low | 45 | Very low | 54 Ų | 54 | 77.4 Ų | 77.4 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 145.5 | 167 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | S370 | S368-S370 PolarHBondContact OG-OG 3.16Å; S368-S370 VanDerWaalsContact OG-OG 3.11Å |
| 369 | L | 45.3 | Very low | 44.9 | Very low | 51 Ų | 51 | 76.1 Ų | 76.1 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | trans | -114.4 | 18.4 | -178.7 | -123.4 | 177 | 0 | 0 | 0 | 113 | V344 | V344-L369 HydrophobicContact CG2-CD1 3.56Å; V344-L369 HydrophobicContact CG2-CG 3.83Å | ||
| 370 | S | 42.2 | Very low | 44.6 | Very low | 46 Ų | 46 | 76.2 Ų | 76.2 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -60.5 | 135.2 | 169.3 | 43 | 0 | 0 | 0 | 0 | 110.6 | S368 K372 E373 | S368-S370 PolarHBondContact OG-OG 3.16Å; S368-S370 VanDerWaalsContact OG-OG 3.11Å; S370-K372 VanDerWaalsContact C-N 3.27Å; S370-K372 PolarHBondContact O-N 3.12Å; S370-K372 VanDerWaalsContact O-N 3.12Å; S370-E373 PolarHBondContact O-N 3.01Å |
| 371 | D | 42 | Very low | 43.9 | Very low | 140 Ų | 140 | 75.7 Ų | 75.7 | 75% | 0.749 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | 59.4 | 26.1 | 167.5 | -44.1 | -43.6 | 0 | 0 | 0 | 116.7 | E373 | D371-E373 PolarHBondContact O-N 3.3Å; D371-E373 VanDerWaalsContact O-N 3.17Å |
| 372 | K | 40.6 | Very low | 43.5 | Very low | 139 Ų | 139 | 75 Ų | 75 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | 63.4 | 12.4 | 178.2 | -54.4 | 171.4 | 178.1 | 175.7 | 0 | 114.8 | S370 | S370-K372 VanDerWaalsContact C-N 3.27Å; S370-K372 PolarHBondContact O-N 3.12Å; S370-K372 VanDerWaalsContact O-N 3.12Å |
| 373 | E | 41 | Very low | 42.7 | Very low | 41 Ų | 41 | 82.1 Ų | 82.1 | 19% | 0.192 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.7 | 167.6 | -63 | -164.9 | 155.5 | 0 | 0 | 110 | S334 Y336 S370 D371 K375 | S334-E373 PolarHBondContact OG-OE2 3.11Å; Y336-E373 HydrophobicContact CD1-CG 4.17Å; Y336-E373 HydrophobicContact CE1-CG 3.61Å; Y336-E373 WeakPolarHBondContact CE1-OE1 3.49Å; Y336-E373 PolarHBondContact OH-OE1 3.35Å; S370-E373 PolarHBondContact O-N 3.01Å; D371-E373 PolarHBondContact O-N 3.3Å; D371-E373 VanDerWaalsContact O-N 3.17Å; E373-K375 HydrophobicContact CB-CG 4.28Å; E373-K375 PolarHBondContact O-N 3.33Å; E373-K375 WeakPolarHBondContact OE2-CE 3.4Å; E373-K375 IonicContact OE2-NZ 3.82Å |
| 374 | G | 48 | Very low | 42.1 | Very low | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.01 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 106.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | V333 I335 | V333-G374 VanDerWaalsContact O-O 3.05Å; I335-G374 PolarHBondContact N-O 3.37Å; I335-G374 PolarHBondContact O-N 2.81Å |
| 375 | K | 45.6 | Very low | 41.6 | Very low | 62 Ų | 62 | 87.2 Ų | 87.2 | 27% | 0.27 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 119.3 | 177.5 | -67.9 | 173.1 | -176.7 | 161.7 | 0 | 110.6 | T332 R366 V367 E373 | T332-K375 HydrophobicContact CG2-CG 4.46Å; R366-K375 VanDerWaalsContact O-O 3.11Å; V367-K375 WeakPolarHBondContact CA-O 3.4Å; E373-K375 HydrophobicContact CB-CG 4.28Å; E373-K375 PolarHBondContact O-N 3.33Å; E373-K375 WeakPolarHBondContact OE2-CE 3.4Å; E373-K375 IonicContact OE2-NZ 3.82Å |
| 376 | F | 46.1 | Very low | 41.3 | Very low | 20 Ų | 20 | 90.1 Ų | 90.1 | 9% | 0.088 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 134.7 | 171.3 | -60.1 | -93.7 | 0 | 0 | 0 | 110.5 | V333 I335 I347 F351 V367 | V333-F376 HydrophobicContact CB-CD2 4.39Å; V333-F376 WeakPolarHBondContact O-CD2 3.3Å; I335-F376 HydrophobicContact CD1-CE2 3.79Å; I335-F376 HydrophobicContact CD1-CZ 4.24Å; I335-F376 HydrophobicContact CG1-CE2 4.19Å; I347-F376 HydrophobicContact CG2-CE1 4Å; I347-F376 HydrophobicContact CG2-CZ 3.81Å; F351-F376 AromaticContact CD2-CE1 3.98Å; F351-F376 HydrophobicContact CD2-CE1 3.98Å; F351-F376 AromaticContact CE2-CE1 3.94Å; F351-F376 HydrophobicContact CE2-CE1 3.94Å; F351-F376 HydrophobicContact CE2-CZ 4.27Å; V367-F376 HydrophobicContact CG2-CD1 3.78Å; V367-F376 HydrophobicContact CG2-CE1 3.62Å; V367-F376 HydrophobicContact CG2-CG 4.49Å; V367-F376 HydrophobicContact CG2-CZ 4.21Å |
| 377 | I | 46.2 | Very low | 41.3 | Very low | 67 Ų | 67 | 85.4 Ų | 85.4 | 34% | 0.344 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.4 | 175.9 | -58.8 | 171 | 0 | 0 | 0 | 108.1 | E379 | I377-E379 HydrophobicContact CG2-CG 4.45Å |
| 378 | L | 44.3 | Very low | 41.2 | Very low | 48 Ų | 48 | 88.1 Ų | 88.1 | 25% | 0.251 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 102.1 | -178.1 | -75.2 | 167.8 | 0 | 0 | 0 | 111.1 | I331 F362 | I331-L378 HydrophobicContact CB-CD1 4.45Å; I331-L378 HydrophobicContact CD1-CD1 4.41Å; F362-L378 HydrophobicContact CB-CD2 4.25Å; F362-L378 HydrophobicContact CD1-CD2 4Å; F362-L378 HydrophobicContact CD2-CD2 4.27Å; F362-L378 HydrophobicContact CE1-CD2 4.39Å; F362-L378 HydrophobicContact CG-CD2 3.93Å |
| 379 | E | 43.4 | Very low | 41 | Very low | 120 Ų | 120 | 91.3 Ų | 91.3 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 121.2 | 174.4 | -68 | -177.3 | 143.5 | 0 | 0 | 111.9 | K363 I377 | K363-E379 PolarHBondContact N-O 2.73Å; I377-E379 HydrophobicContact CG2-CG 4.45Å |
| 380 | K | 40.1 | Very low | 41.1 | Very low | 129 Ų | 129 | 94.2 Ų | 94.2 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -91.6 | 121.6 | 168.9 | -167.5 | 175.5 | -173.8 | 175.6 | 0 | 108.8 | S382 D391 | K380-S382 PolarHBondContact O-N 3.3Å; K380-D391 IonicContact NZ-OD1 2.67Å |
| 381 | S | 34.1 | Very low | 41.5 | Very low | 52 Ų | 52 | 94.5 Ų | 94.5 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 123.2 | -170.5 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | K363 | K363-S381 VanDerWaalsContact CD-CB 3.46Å; K363-S381 VanDerWaalsContact CD-OG 3.3Å; K363-S381 WeakPolarHBondContact CD-OG 3.17Å; K363-S381 PolarHBondContact NZ-OG 2.92Å |
| 382 | S | 33.6 | Very low | 41.8 | Very low | 106 Ų | 106 | 91.8 Ų | 91.8 | 74% | 0.741 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 28.4 | 117 | 147.5 | 48.1 | 0 | 0 | 0 | 0 | 119.5 | K380 | K380-S382 PolarHBondContact O-N 3.3Š|
| 383 | K | 30 | Very low | 42.3 | Very low | 205 Ų | 205 | 89 Ų | 89 | 89% | 0.891 | 47% | 0.474 | S | S | * | . | trans | 79.8 | 61.7 | 165.9 | -51.2 | -178.8 | -179.7 | 179.6 | 0 | 118.4 | ||||
| 384 | V | 30.8 | Very low | 42.8 | Very low | 141 Ų | 141 | 92.6 Ų | 92.6 | 86% | 0.855 | 49% | 0.491 | S | S | * | . | trans | -137 | 164.3 | 145.7 | 175.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 385 | Q | 33.3 | Very low | 42.9 | Very low | 182 Ų | 182 | 94.4 Ų | 94.4 | 85% | 0.85 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 173.8 | 179.1 | -70.1 | 162.1 | -35 | 0 | 0 | 113.1 | ||
| 386 | A | 40.6 | Very low | 43.1 | Very low | 90 Ų | 90 | 92 Ų | 92 | 74% | 0.744 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 150 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | T388 | A386-T388 PolarHBondContact O-N 3.38Š|
| 387 | L | 44.5 | Very low | 43.2 | Very low | 85 Ų | 85 | 93.3 Ų | 93.3 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -56 | 130.8 | 175 | -89.7 | 77.6 | 0 | 0 | 0 | 110.5 | D391 L392 I395 | L387-D391 HydrophobicContact CB-CB 4.22Å; L387-D391 HydrophobicContact CD2-CB 4.22Å; L387-D391 HydrophobicContact CG-CB 4.01Å; L387-L392 HydrophobicContact CD2-CD2 4.24Å; L387-L392 HydrophobicContact CD2-CG 4.26Å; L387-I395 HydrophobicContact CD2-CD1 3.98Å |
| 388 | T | 47.8 | Very low | 43.4 | Very low | 71 Ų | 71 | 90.9 Ų | 90.9 | 44% | 0.436 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 169.8 | 170.9 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | A386 D390 D391 L392 | A386-T388 PolarHBondContact O-N 3.38Å; T388-D390 PolarHBondContact O-N 3.26Å; T388-D391 WeakPolarHBondContact CB-OD2 3.34Å; T388-D391 PolarHBondContact N-OD2 3.21Å; T388-D391 PolarHBondContact O-N 2.97Å; T388-D391 PolarHBondContact OG1-N 3.45Å; T388-D391 VanDerWaalsContact OG1-N 3.13Å; T388-D391 PolarHBondContact OG1-OD2 3.17Å; T388-L392 PolarHBondContact O-N 3.23Å |
| 389 | Q | 42.4 | Very low | 43.7 | Very low | 122 Ų | 122 | 92.2 Ų | 92.2 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -31 | 174.1 | -168.6 | 166.8 | -25.7 | 0 | 0 | 111.2 | L392 V393 | Q389-L392 PolarHBondContact O-N 3.27Å; Q389-V393 WeakPolarHBondContact O-CG2 3.25Å; Q389-V393 PolarHBondContact O-N 2.92Å; Q389-V393 VanDerWaalsContact O-N 3.1Å |
| 390 | D | 47.3 | Very low | 43.9 | Very low | 112 Ų | 112 | 89.9 Ų | 89.9 | 60% | 0.599 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -73.4 | -34.7 | 177.6 | -53.4 | -40.2 | 0 | 0 | 0 | 112.2 | T388 L392 V393 H394 | T388-D390 PolarHBondContact O-N 3.26Å; D390-L392 VanDerWaalsContact C-N 3.28Å; D390-L392 PolarHBondContact O-N 3.4Å; D390-V393 PolarHBondContact O-N 2.8Å; D390-H394 WeakPolarHBondContact O-CB 3.46Å; D390-H394 PolarHBondContact O-CD2 2.91Å; D390-H394 PolarHBondContact O-N 2.88Å |
| 391 | D | 49 | Very low | 44.4 | Very low | 51 Ų | 51 | 91.2 Ų | 91.2 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.3 | -43.5 | 169.6 | -74.4 | -86.4 | 0 | 0 | 0 | 111 | K380 L387 T388 H394 I395 | K380-D391 IonicContact NZ-OD1 2.67Å; L387-D391 HydrophobicContact CB-CB 4.22Å; L387-D391 HydrophobicContact CD2-CB 4.22Å; L387-D391 HydrophobicContact CG-CB 4.01Å; T388-D391 WeakPolarHBondContact CB-OD2 3.34Å; T388-D391 PolarHBondContact N-OD2 3.21Å; T388-D391 PolarHBondContact O-N 2.97Å; T388-D391 PolarHBondContact OG1-N 3.45Å; T388-D391 VanDerWaalsContact OG1-N 3.13Å; T388-D391 PolarHBondContact OG1-OD2 3.17Å; D391-H394 PolarHBondContact O-N 2.85Å; D391-I395 WeakPolarHBondContact O-CB 3.39Å; D391-I395 WeakPolarHBondContact O-CD1 3.48Å; D391-I395 VanDerWaalsContact O-CG1 3.23Å; D391-I395 WeakPolarHBondContact O-CG1 3.46Å; D391-I395 PolarHBondContact O-N 3.5Å |
| 392 | L | 48.8 | Very low | 45.1 | Very low | 84 Ų | 84 | 91.5 Ų | 91.5 | 44% | 0.44 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.2 | -37.2 | 179.7 | -80.6 | 168.3 | 0 | 0 | 0 | 112.5 | L387 T388 Q389 D390 I395 A396 | L387-L392 HydrophobicContact CD2-CD2 4.24Å; L387-L392 HydrophobicContact CD2-CG 4.26Å; T388-L392 PolarHBondContact O-N 3.23Å; Q389-L392 PolarHBondContact O-N 3.27Å; D390-L392 VanDerWaalsContact C-N 3.28Å; D390-L392 PolarHBondContact O-N 3.4Å; L392-I395 PolarHBondContact O-N 2.91Å; L392-A396 WeakPolarHBondContact O-CB 3.49Å; L392-A396 PolarHBondContact O-N 3.33Å |
| 393 | V | 51.4 | Low | 46 | Very low | 79 Ų | 79 | 91 Ų | 91 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | Q389 D390 A396 S397 | Q389-V393 WeakPolarHBondContact O-CG2 3.25Å; Q389-V393 PolarHBondContact O-N 2.92Å; Q389-V393 VanDerWaalsContact O-N 3.1Å; D390-V393 PolarHBondContact O-N 2.8Å; V393-A396 PolarHBondContact O-N 3.19Å; V393-S397 PolarHBondContact O-N 2.87Å; V393-S397 PolarHBondContact O-OG 2.93Å |
| 394 | H | 51.5 | Low | 46.8 | Very low | 117 Ų | 117 | 84.6 Ų | 84.6 | 54% | 0.542 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 175.1 | -89.2 | -63.7 | 0 | 0 | 0 | 113.4 | D390 D391 A396 S397 G398 | D390-H394 WeakPolarHBondContact O-CB 3.46Å; D390-H394 PolarHBondContact O-CD2 2.91Å; D390-H394 PolarHBondContact O-N 2.88Å; D391-H394 PolarHBondContact O-N 2.85Å; H394-A396 VanDerWaalsContact C-N 3.35Å; H394-S397 WeakPolarHBondContact CA-OG 3.49Å; H394-S397 PolarHBondContact O-OG 3.24Å; H394-G398 PolarHBondContact O-N 3.49Å |
| 395 | I | 51.3 | Low | 47.6 | Very low | 40 Ų | 40 | 81.8 Ų | 81.8 | 21% | 0.205 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 172.2 | -70.4 | 163.6 | 0 | 0 | 0 | 110.2 | I331 L387 D391 L392 G398 L399 | I331-I395 HydrophobicContact CD1-CG2 4.24Å; L387-I395 HydrophobicContact CD2-CD1 3.98Å; D391-I395 WeakPolarHBondContact O-CB 3.39Å; D391-I395 WeakPolarHBondContact O-CD1 3.48Å; D391-I395 VanDerWaalsContact O-CG1 3.23Å; D391-I395 WeakPolarHBondContact O-CG1 3.46Å; D391-I395 PolarHBondContact O-N 3.5Å; L392-I395 PolarHBondContact O-N 2.91Å; I395-G398 PolarHBondContact O-N 3.04Å; I395-L399 HydrophobicContact CG2-CD1 4.17Å; I395-L399 VanDerWaalsContact O-CG 3.3Å; I395-L399 WeakPolarHBondContact O-CG 3.45Å; I395-L399 PolarHBondContact O-N 3.15Å |
| 396 | A | 48.4 | Very low | 48.3 | Very low | 10 Ų | 10 | 78.2 Ų | 78.2 | 8% | 0.083 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L272 I276 L392 V393 H394 L399 L400 | L272-A396 HydrophobicContact CD1-CB 4.5Å; I276-A396 HydrophobicContact CD1-CB 4.42Å; L392-A396 WeakPolarHBondContact O-CB 3.49Å; L392-A396 PolarHBondContact O-N 3.33Å; V393-A396 PolarHBondContact O-N 3.19Å; H394-A396 VanDerWaalsContact C-N 3.35Å; A396-L399 PolarHBondContact O-N 3.17Å; A396-L400 PolarHBondContact O-N 3.18Å; A396-L400 VanDerWaalsContact O-N 3.08Å |
| 397 | S | 49.4 | Very low | 48.7 | Very low | 49 Ų | 49 | 76.4 Ų | 76.4 | 34% | 0.343 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 175.1 | 66 | 0 | 0 | 0 | 0 | 111.8 | V393 H394 L399 L400 E401 | V393-S397 PolarHBondContact O-N 2.87Å; V393-S397 PolarHBondContact O-OG 2.93Å; H394-S397 WeakPolarHBondContact CA-OG 3.49Å; H394-S397 PolarHBondContact O-OG 3.24Å; S397-L399 VanDerWaalsContact C-N 3.27Å; S397-L399 PolarHBondContact O-N 3.06Å; S397-L400 WeakPolarHBondContact O-CB 3.27Å; S397-L400 PolarHBondContact O-N 2.9Å; S397-L400 VanDerWaalsContact O-N 3.09Å; S397-E401 PolarHBondContact O-N 3.27Å |
| 398 | G | 49.9 | Very low | 48.8 | Very low | 16 Ų | 16 | 73.7 Ų | 73.7 | 17% | 0.165 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.5 | -31.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | H394 I395 I402 | H394-G398 PolarHBondContact O-N 3.49Å; I395-G398 PolarHBondContact O-N 3.04Å; G398-I402 WeakPolarHBondContact O-CG1 3.32Å |
| 399 | L | 49.4 | Very low | 49 | Very low | 75 Ų | 75 | 74.4 Ų | 74.4 | 39% | 0.393 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.3 | -32.6 | 172 | -72.8 | 168.7 | 0 | 0 | 0 | 112.8 | I395 A396 S397 I402 | I395-L399 HydrophobicContact CG2-CD1 4.17Å; I395-L399 VanDerWaalsContact O-CG 3.3Å; I395-L399 WeakPolarHBondContact O-CG 3.45Å; I395-L399 PolarHBondContact O-N 3.15Å; A396-L399 PolarHBondContact O-N 3.17Å; S397-L399 VanDerWaalsContact C-N 3.27Å; S397-L399 PolarHBondContact O-N 3.06Å; L399-I402 HydrophobicContact CD2-CD1 3.94Å; L399-I402 PolarHBondContact O-N 3.2Å |
| 400 | L | 48.3 | Very low | 49.2 | Very low | 71 Ų | 71 | 71.5 Ų | 71.5 | 37% | 0.372 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72 | -29.6 | 176.2 | -78.6 | 160.7 | 0 | 0 | 0 | 113.1 | F279 A396 S397 I402 | F279-L400 HydrophobicContact CB-CD2 4.43Å; F279-L400 HydrophobicContact CD1-CD2 3.84Å; F279-L400 HydrophobicContact CD2-CD2 4.02Å; F279-L400 HydrophobicContact CE1-CD2 3.97Å; F279-L400 HydrophobicContact CE2-CD2 4.15Å; F279-L400 HydrophobicContact CG-CD2 3.85Å; F279-L400 HydrophobicContact CZ-CD2 4.12Å; A396-L400 PolarHBondContact O-N 3.18Å; A396-L400 VanDerWaalsContact O-N 3.08Å; S397-L400 WeakPolarHBondContact O-CB 3.27Å; S397-L400 PolarHBondContact O-N 2.9Å; S397-L400 VanDerWaalsContact O-N 3.09Å; L400-I402 VanDerWaalsContact C-N 3.27Å; L400-I402 PolarHBondContact O-N 3.13Å |
| 401 | E | 49.9 | Very low | 49.2 | Very low | 158 Ų | 158 | 67.9 Ų | 67.9 | 74% | 0.738 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -10.1 | 174.6 | -70.6 | -169.7 | 150.5 | 0 | 0 | 114 | S397 N403 | S397-E401 PolarHBondContact O-N 3.27Å; E401-N403 PolarHBondContact O-N 3.03Å |
| 402 | I | 50.3 | Low | 49.1 | Very low | 58 Ų | 58 | 70.7 Ų | 70.7 | 30% | 0.297 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -67.4 | 107.6 | 176.6 | -59.8 | -178.3 | 0 | 0 | 0 | 109.3 | G398 L399 L400 V404 I407 | G398-I402 WeakPolarHBondContact O-CG1 3.32Å; L399-I402 HydrophobicContact CD2-CD1 3.94Å; L399-I402 PolarHBondContact O-N 3.2Å; L400-I402 VanDerWaalsContact C-N 3.27Å; L400-I402 PolarHBondContact O-N 3.13Å; I402-V404 VanDerWaalsContact C-N 3.33Å; I402-V404 WeakPolarHBondContact O-CG2 3.3Å; I402-V404 PolarHBondContact O-N 3.06Å; I402-I407 HydrophobicContact CG2-CD1 3.5Å |
| 403 | N | 51 | Low | 49.2 | Very low | 95 Ų | 95 | 73.1 Ų | 73.1 | 51% | 0.508 | 38% | 0.375 | S | S | . | . | trans | -69.5 | 87.1 | 178.7 | -169.8 | -43.2 | 0 | 0 | 0 | 111.3 | E401 D405 K406 I407 | E401-N403 PolarHBondContact O-N 3.03Å; N403-D405 PolarHBondContact O-N 3.47Å; N403-D405 PolarHBondContact OD1-N 2.83Å; N403-K406 HydrophobicContact CB-CB 4.16Å; N403-K406 WeakPolarHBondContact O-CB 3.33Å; N403-K406 PolarHBondContact O-N 2.72Å; N403-K406 VanDerWaalsContact O-N 3.1Å; N403-K406 WeakPolarHBondContact OD1-CB 3.49Å; N403-K406 PolarHBondContact OD1-N 3.11Å; N403-I407 PolarHBondContact O-N 2.87Å | ||
| 404 | V | 48.4 | Very low | 48.8 | Very low | 71 Ų | 71 | 71.7 Ų | 71.7 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.6 | -36.3 | 179.9 | -173 | 0 | 0 | 0 | 0 | 111.6 | I402 K406 I407 H408 | I402-V404 VanDerWaalsContact C-N 3.33Å; I402-V404 WeakPolarHBondContact O-CG2 3.3Å; I402-V404 PolarHBondContact O-N 3.06Å; V404-K406 VanDerWaalsContact C-N 3.28Å; V404-K406 PolarHBondContact O-N 2.89Å; V404-I407 PolarHBondContact O-N 2.95Å; V404-H408 WeakPolarHBondContact O-CB 3.25Å; V404-H408 PolarHBondContact O-N 2.99Å |
| 405 | D | 45.8 | Very low | 47.9 | Very low | 81 Ų | 81 | 68.9 Ų | 68.9 | 43% | 0.433 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 178.3 | -66 | -35.2 | 0 | 0 | 0 | 111.2 | K283 N403 L409 | K283-D405 IonicContact NZ-OD1 2.78Å; K283-D405 IonicContact NZ-OD2 3.64Å; K283-D405 PolarHBondContact NZ-OD2 2.72Å; N403-D405 PolarHBondContact O-N 3.47Å; N403-D405 PolarHBondContact OD1-N 2.83Å; D405-L409 WeakPolarHBondContact O-CB 3.4Å; D405-L409 PolarHBondContact O-N 3.33Å |
| 406 | K | 49.9 | Very low | 47.1 | Very low | 108 Ų | 108 | 69.5 Ų | 69.5 | 47% | 0.47 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72.7 | -39.2 | 174.2 | -164 | -171.6 | -174.5 | -159.1 | 0 | 112.5 | Y350 N403 V404 H408 L409 E410 | Y350-K406 WeakPolarHBondContact OH-CE 3.48Å; Y350-K406 PolarHBondContact OH-NZ 2.92Å; N403-K406 HydrophobicContact CB-CB 4.16Å; N403-K406 WeakPolarHBondContact O-CB 3.33Å; N403-K406 PolarHBondContact O-N 2.72Å; N403-K406 VanDerWaalsContact O-N 3.1Å; N403-K406 WeakPolarHBondContact OD1-CB 3.49Å; N403-K406 PolarHBondContact OD1-N 3.11Å; V404-K406 VanDerWaalsContact C-N 3.28Å; V404-K406 PolarHBondContact O-N 2.89Å; K406-H408 VanDerWaalsContact C-N 3.33Å; K406-L409 WeakPolarHBondContact O-CB 3.47Å; K406-L409 PolarHBondContact O-N 2.9Å; K406-E410 PolarHBondContact O-N 3.31Å |
| 407 | I | 49.1 | Very low | 46.2 | Very low | 51 Ų | 51 | 78.1 Ų | 78.1 | 26% | 0.262 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 173.1 | -64.4 | 176.5 | 0 | 0 | 0 | 110 | I402 N403 V404 L409 E410 L411 | I402-I407 HydrophobicContact CG2-CD1 3.5Å; N403-I407 PolarHBondContact O-N 2.87Å; V404-I407 PolarHBondContact O-N 2.95Å; I407-L409 VanDerWaalsContact C-N 3.34Å; I407-L409 PolarHBondContact O-N 3.4Å; I407-E410 PolarHBondContact O-N 3.38Å; I407-L411 HydrophobicContact CG2-CD1 4.07Å; I407-L411 HydrophobicContact CG2-CG 4.48Å; I407-L411 WeakPolarHBondContact O-CG 3.47Å; I407-L411 PolarHBondContact O-N 3.4Å |
| 408 | H | 46.4 | Very low | 45.1 | Very low | 29 Ų | 29 | 78.7 Ų | 78.7 | 13% | 0.134 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 175.7 | -172.2 | 49.3 | 0 | 0 | 0 | 111.9 | Y285 V404 K406 L411 Q412 T418 | Y285-H408 AromaticContact CE1-CD2 3.91Å; Y285-H408 AromaticContact CE1-CE1 3.73Å; Y285-H408 AromaticContact CE1-NE2 3.48Å; Y285-H408 WeakPolarHBondContact CE1-NE2 3.49Å; Y285-H408 AromaticContact CZ-CD2 3.84Å; Y285-H408 AromaticContact CZ-NE2 3.84Å; Y285-H408 PolarHBondContact OH-CD2 3.15Å; Y285-H408 VanDerWaalsContact OH-CD2 3.32Å; Y285-H408 PolarHBondContact OH-NE2 2.87Å; V404-H408 WeakPolarHBondContact O-CB 3.25Å; V404-H408 PolarHBondContact O-N 2.99Å; K406-H408 VanDerWaalsContact C-N 3.33Å; H408-L411 PolarHBondContact O-N 3Å; H408-Q412 WeakPolarHBondContact O-CG 3.27Å; H408-Q412 PolarHBondContact O-N 3.34Å; H408-T418 PolarHBondContact CE1-OG1 2.8Å |
| 409 | L | 52 | Low | 43.8 | Very low | 86 Ų | 86 | 84.2 Ų | 84.2 | 45% | 0.45 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 173.1 | -162.8 | 79.4 | 0 | 0 | 0 | 112.5 | D405 K406 I407 Q412 K413 | D405-L409 WeakPolarHBondContact O-CB 3.4Å; D405-L409 PolarHBondContact O-N 3.33Å; K406-L409 WeakPolarHBondContact O-CB 3.47Å; K406-L409 PolarHBondContact O-N 2.9Å; I407-L409 VanDerWaalsContact C-N 3.34Å; I407-L409 PolarHBondContact O-N 3.4Å; L409-Q412 PolarHBondContact O-N 3.45Å; L409-K413 WeakPolarHBondContact O-CG 3.46Å; L409-K413 PolarHBondContact O-N 3.46Å |
| 410 | E | 46.8 | Very low | 42.5 | Very low | 61 Ų | 61 | 83.7 Ų | 83.7 | 29% | 0.285 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.7 | -37.1 | 173.3 | -67.8 | -55.5 | 142.4 | 0 | 0 | 112.4 | K406 I407 Q412 K413 L414 | K406-E410 PolarHBondContact O-N 3.31Å; I407-E410 PolarHBondContact O-N 3.38Å; E410-Q412 VanDerWaalsContact C-N 3.31Å; E410-Q412 PolarHBondContact O-N 2.98Å; E410-K413 CarbonylContact O-C 3.58Å; E410-K413 WeakPolarHBondContact O-CB 3.12Å; E410-K413 PolarHBondContact O-N 2.99Å; E410-K413 WeakPolarHBondContact OE1-CD 3.43Å; E410-K413 IonicContact OE1-NZ 2.68Å; E410-K413 PolarHBondContact OE1-NZ 3.09Å; E410-K413 VanDerWaalsContact OE2-CD 3.27Å; E410-K413 WeakPolarHBondContact OE2-CD 3.49Å; E410-K413 IonicContact OE2-NZ 2.62Å; E410-L414 WeakPolarHBondContact O-CB 3.32Å; E410-L414 VanDerWaalsContact O-CG 3.25Å; E410-L414 WeakPolarHBondContact O-CG 3.49Å; E410-L414 PolarHBondContact O-N 2.96Å |
| 411 | L | 45.4 | Very low | 41.2 | Very low | 35 Ų | 35 | 85.6 Ų | 85.6 | 18% | 0.183 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 172.9 | -72.9 | 169.4 | 0 | 0 | 0 | 112.3 | I347 I407 H408 L414 G415 F416 | I347-L411 HydrophobicContact CD1-CD2 3.91Å; I407-L411 HydrophobicContact CG2-CD1 4.07Å; I407-L411 HydrophobicContact CG2-CG 4.48Å; I407-L411 WeakPolarHBondContact O-CG 3.47Å; I407-L411 PolarHBondContact O-N 3.4Å; H408-L411 PolarHBondContact O-N 3Å; L411-L414 CarbonylContact O-C 3.54Å; L411-L414 PolarHBondContact O-N 2.91Å; L411-G415 PolarHBondContact O-N 3.25Å; L411-F416 HydrophobicContact CD2-CD2 4.12Å; L411-F416 PolarHBondContact O-N 3.19Å; L411-F416 VanDerWaalsContact O-N 3.11Å |
| 412 | Q | 48.4 | Very low | 39.8 | Very low | 110 Ų | 110 | 84 Ų | 84 | 51% | 0.514 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 169.5 | -78 | -172.2 | -8.2 | 0 | 0 | 111.9 | H408 L409 E410 L414 G415 | H408-Q412 WeakPolarHBondContact O-CG 3.27Å; H408-Q412 PolarHBondContact O-N 3.34Å; L409-Q412 PolarHBondContact O-N 3.45Å; E410-Q412 VanDerWaalsContact C-N 3.31Å; E410-Q412 PolarHBondContact O-N 2.98Å; Q412-L414 PolarHBondContact O-N 3.34Å; Q412-G415 PolarHBondContact O-N 3.33Å |
| 413 | K | 50.4 | Low | 38.4 | Very low | 136 Ų | 136 | 86.3 Ų | 86.3 | 59% | 0.591 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.9 | -27.7 | 174.2 | -71.3 | 167 | -179.2 | 179.9 | 0 | 113 | L409 E410 G415 | L409-K413 WeakPolarHBondContact O-CG 3.46Å; L409-K413 PolarHBondContact O-N 3.46Å; E410-K413 CarbonylContact O-C 3.58Å; E410-K413 WeakPolarHBondContact O-CB 3.12Å; E410-K413 PolarHBondContact O-N 2.99Å; E410-K413 WeakPolarHBondContact OE1-CD 3.43Å; E410-K413 IonicContact OE1-NZ 2.68Å; E410-K413 PolarHBondContact OE1-NZ 3.09Å; E410-K413 VanDerWaalsContact OE2-CD 3.27Å; E410-K413 WeakPolarHBondContact OE2-CD 3.49Å; E410-K413 IonicContact OE2-NZ 2.62Å; K413-G415 VanDerWaalsContact C-N 3.32Å |
| 414 | L | 42.7 | Very low | 37 | Very low | 48 Ų | 48 | 87.8 Ų | 87.8 | 25% | 0.251 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1.8 | 173.9 | -67.6 | 170.1 | 0 | 0 | 0 | 113.6 | K346 E410 L411 Q412 F416 | K346-L414 HydrophobicContact CD-CD2 3.71Å; E410-L414 WeakPolarHBondContact O-CB 3.32Å; E410-L414 VanDerWaalsContact O-CG 3.25Å; E410-L414 WeakPolarHBondContact O-CG 3.49Å; E410-L414 PolarHBondContact O-N 2.96Å; L411-L414 CarbonylContact O-C 3.54Å; L411-L414 PolarHBondContact O-N 2.91Å; Q412-L414 PolarHBondContact O-N 3.34Å; L414-F416 HydrophobicContact CB-CD2 4.04Å; L414-F416 HydrophobicContact CB-CE2 4.14Å |
| 415 | G | 32.6 | Very low | 35.7 | Very low | 59 Ų | 59 | 88.4 Ų | 88.4 | 61% | 0.608 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | 9.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L411 Q412 K413 Q417 | L411-G415 PolarHBondContact O-N 3.25Å; Q412-G415 PolarHBondContact O-N 3.33Å; K413-G415 VanDerWaalsContact C-N 3.32Å; G415-Q417 PolarHBondContact O-N 3.17Å |
| 416 | F | 34.5 | Very low | 34.6 | Very low | 52 Ų | 52 | 89.9 Ų | 89.9 | 23% | 0.228 | 51% | 0.512 | C | S | . | . | trans | -78.6 | 111.3 | 178.7 | -69.3 | -80.8 | 0 | 0 | 0 | 111.5 | G337 C343 L411 L414 T418 | G337-F416 WeakPolarHBondContact O-CE1 3.3Å; C343-F416 HydrophobicContact CB-CE2 3.85Å; C343-F416 HydrophobicContact CB-CZ 3.85Å; L411-F416 HydrophobicContact CD2-CD2 4.12Å; L411-F416 PolarHBondContact O-N 3.19Å; L411-F416 VanDerWaalsContact O-N 3.11Å; L414-F416 HydrophobicContact CB-CD2 4.04Å; L414-F416 HydrophobicContact CB-CE2 4.14Å; F416-T418 PolarHBondContact O-N 3.1Å | ||
| 417 | Q | 29.2 | Very low | 33.2 | Very low | 191 Ų | 191 | 95 Ų | 95 | 89% | 0.893 | 53% | 0.53 | S | S | * | . | trans | -78.4 | 97.6 | 175.6 | -69.8 | -171.7 | -4.7 | 0 | 0 | 111.6 | G415 S419 | G415-Q417 PolarHBondContact O-N 3.17Å; Q417-S419 PolarHBondContact O-N 2.86Å | ||
| 418 | T | 26.9 | Very low | 31.9 | Very low | 61 Ų | 61 | 98.3 Ų | 98.3 | 37% | 0.374 | 55% | 0.552 | S | S | . | * | trans | -68.7 | 111.8 | 160.2 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | H408 F416 S420 | H408-T418 PolarHBondContact CE1-OG1 2.8Å; F416-T418 PolarHBondContact O-N 3.1Å; T418-S420 VanDerWaalsContact C-N 3.32Å; T418-S420 PolarHBondContact O-N 2.96Å | ||
| 419 | S | 22.4 | Very low | 30.8 | Very low | 132 Ų | 132 | 103.2 Ų | 103.2 | 92% | 0.923 | 58% | 0.579 | S | S | * | * | trans | -76 | 73.7 | -170.5 | 43.5 | 0 | 0 | 0 | 0 | 113.9 | Q417 | Q417-S419 PolarHBondContact O-N 2.86Š| ||
| 420 | S | 21.9 | Very low | 29.4 | Very low | 65 Ų | 65 | 104.7 Ų | 104.7 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | trans | -113 | 131.2 | 166.1 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | T418 | T418-S420 VanDerWaalsContact C-N 3.32Å; T418-S420 PolarHBondContact O-N 2.96Å | ||
| 421 | V | 20.7 | Very low | 28.2 | Very low | 111 Ų | 111 | 107 Ų | 107 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 43.6 | 80.2 | 152.5 | -165 | 0 | 0 | 0 | 0 | 118.8 | ||
| 422 | T | 20.6 | Very low | 27.1 | Very low | 125 Ų | 125 | 107 Ų | 107 | 77% | 0.767 | 60% | 0.603 | S | S | * | * | trans | 72.1 | 157.2 | 137.5 | 65.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 423 | S | 21.6 | Very low | 25.9 | Very low | 105 Ų | 105 | 104.9 Ų | 104.9 | 73% | 0.734 | 60% | 0.6 | S | S | * | * | trans | 79.5 | 78.7 | 163.3 | 65.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 424 | N | 20.7 | Very low | 24.7 | Very low | 126 Ų | 126 | 102.9 Ų | 102.9 | 67% | 0.674 | 60% | 0.596 | S | S | * | * | 53.4 | 131.5 | 122.3 | -63.7 | 6.6 | 0 | 0 | 0 | 123.2 | L665 | N424-L665 HydrophobicContact CB-CD1 4.29Å; N424-L665 WeakPolarHBondContact ND2-CD1 3.47Å | |||
| 425 | S | 22.1 | Very low | 23.8 | Very low | 84 Ų | 84 | 107.8 Ų | 107.8 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | 96.9 | 95.4 | 128.9 | 66.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 426 | T | 21.5 | Very low | 23.3 | Very low | 112 Ų | 112 | 111.2 Ų | 111.2 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | 79.1 | 122.3 | 117.6 | 58.3 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 427 | Y | 22.1 | Very low | 22.7 | Very low | 216 Ų | 216 | 115.6 Ų | 115.6 | 85% | 0.847 | 65% | 0.648 | S | S | * | * | trans | 70.6 | 155.6 | 134.7 | -76.6 | -132.1 | 0 | 0 | 0 | 117.3 | ||||
| 428 | V | 21.8 | Very low | 22.2 | Very low | 120 Ų | 120 | 113.8 Ų | 113.8 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | cis | -168.6 | 157.3 | -17.8 | 127.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 429 | N | 21.8 | Very low | 21.9 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | cis | -177.1 | -174.1 | -31.9 | -168.2 | 9.5 | 0 | 0 | 0 | 107.8 | ||||
| 430 | I | 22.6 | Very low | 21.9 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 61% | 0.605 | 64% | 0.637 | S | S | * | * | trans | 93.3 | 125.9 | 137.5 | -103.8 | 168.1 | 0 | 0 | 0 | 121.9 | ||||
| 431 | L | 22.2 | Very low | 21.7 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 58% | 0.576 | 64% | 0.641 | S | S | * | * | trans | 68.4 | 148.8 | 149 | -59.5 | 178.3 | 0 | 0 | 0 | 123.3 | ||||
| 432 | S | 23 | Very low | 21.8 | Very low | 35 Ų | 35 | 117.6 Ų | 117.6 | 25% | 0.245 | 64% | 0.64 | C | S | . | * | cis | -178.1 | 179.8 | -20.2 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | Q440 L441 | S432-Q440 PolarHBondContact OG-O 2.8Å; S432-L441 WeakPolarHBondContact O-CA 3.45Å; S432-L441 WeakPolarHBondContact O-CB 3.29Å; S432-L441 WeakPolarHBondContact O-CD1 3.21Å; S432-L441 PolarHBondContact O-N 3.48Å | ||
| 433 | S | 23.8 | Very low | 21.8 | Very low | 65 Ų | 65 | 116.3 Ų | 116.3 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | trans | 65.1 | 167.3 | 157.4 | 98.3 | 0 | 0 | 0 | 0 | 116.9 | Q440 L441 | S433-Q440 WeakPolarHBondContact OG-CA 3.21Å; S433-Q440 PolarHBondContact OG-N 2.97Å; S433-L441 PolarHBondContact OG-N 2.85Å | ||
| 434 | N | 23.9 | Very low | 21.8 | Very low | 93 Ų | 93 | 117 Ų | 117 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | cis | -131.7 | 160.2 | 15.1 | -92.4 | -35.9 | 0 | 0 | 0 | 108.6 | ||||
| 435 | Q | 23.8 | Very low | 21.7 | Very low | 152 Ų | 152 | 116.6 Ų | 116.6 | 71% | 0.71 | 63% | 0.634 | S | S | * | * | S | Bend | cis | -159.2 | 155.8 | 8.3 | -102.5 | 146.7 | 0.2 | 0 | 0 | 105.4 | ||
| 436 | N | 23.2 | Very low | 21.7 | Very low | 130 Ų | 130 | 119.9 Ų | 119.9 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | S | Bend | cis | -132 | 160.3 | 1.1 | -75.6 | -57.1 | 0 | 0 | 0 | 107.7 | ||
| 437 | D | 20 | Very low | 21.6 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | S | Bend | cis | -102.7 | 129.6 | 12.9 | -82 | -55.2 | 0 | 0 | 0 | 115.3 | ||
| 438 | Q | 19.9 | Very low | 21.6 | Very low | 153 Ų | 153 | 122 Ų | 122 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 55.6 | 119.7 | 148.1 | -53.2 | -165.8 | 11 | 0 | 0 | 121.4 | ||
| 439 | L | 20.5 | Very low | 21.6 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 67% | 0.665 | 65% | 0.653 | S | S | * | * | trans | 91.3 | 64.7 | 148.5 | -65.3 | 162.4 | 0 | 0 | 0 | 121.1 | ||||
| 440 | Q | 21.4 | Very low | 21.5 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | 80.6 | 129.7 | 114.3 | -75.9 | -176.7 | -21.2 | 0 | 0 | 123.8 | S432 S433 | S432-Q440 PolarHBondContact OG-O 2.8Å; S433-Q440 WeakPolarHBondContact OG-CA 3.21Å; S433-Q440 PolarHBondContact OG-N 2.97Å | |||
| 441 | L | 19.5 | Very low | 21.5 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 53% | 0.534 | 66% | 0.663 | S | S | . | * | trans | -70.7 | 148.8 | 174.3 | -169.2 | 84.7 | 0 | 0 | 0 | 114.4 | S432 S433 T443 | S432-L441 WeakPolarHBondContact O-CA 3.45Å; S432-L441 WeakPolarHBondContact O-CB 3.29Å; S432-L441 WeakPolarHBondContact O-CD1 3.21Å; S432-L441 PolarHBondContact O-N 3.48Å; S433-L441 PolarHBondContact OG-N 2.85Å; L441-T443 HydrophobicContact CD1-CG2 4.29Å | ||
| 442 | S | 22.3 | Very low | 21.7 | Very low | 95 Ų | 95 | 122.9 Ų | 122.9 | 66% | 0.664 | 67% | 0.668 | S | S | * | * | trans | -161.2 | 143.4 | 133.7 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 443 | T | 20.6 | Very low | 21.6 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 60% | 0.595 | 70% | 0.695 | S | S | * | * | trans | -131.8 | 173.2 | -172.8 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | L441 | L441-T443 HydrophobicContact CD1-CG2 4.29Š| ||
| 444 | T | 20.7 | Very low | 21.5 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | trans | 72.4 | 111.6 | 156.4 | 42.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 445 | V | 19.8 | Very low | 21.4 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | 56.9 | 112.1 | 122.5 | -177.9 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 446 | N | 21.8 | Very low | 21.5 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | -168.7 | 174.3 | 113.3 | -111.7 | -55.6 | 0 | 0 | 0 | 116.3 | |||||
| 447 | Y | 19.9 | Very low | 21.3 | Very low | 210 Ų | 210 | 139.9 Ų | 139.9 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | -86.5 | 172.7 | -177.4 | -104.9 | -106.1 | 0 | 0 | 0 | 114.6 | ||||
| 448 | L | 20.9 | Very low | 21.7 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | trans | 73.7 | 155.6 | 162.6 | -65.2 | 147 | 0 | 0 | 0 | 115.8 | ||||
| 449 | S | 22 | Very low | 21.8 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | cis | -148.1 | 175.1 | 11.5 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 450 | E | 20 | Very low | 21.9 | Very low | 155 Ų | 155 | 137.3 Ų | 137.3 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | trans | -69.5 | 157 | 156.7 | -57.9 | 171.7 | 122 | 0 | 0 | 109.9 | ||||
| 451 | V | 21.4 | Very low | 21.9 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | 170 | 155.5 | 94.1 | 159.7 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 452 | P | 27.8 | Very low | 22.2 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | trans | -114.9 | -170 | -174.1 | 37.2 | -22.2 | 0 | 0 | 0 | 115.8 | ||||
| 453 | L | 20.2 | Very low | 22.2 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | 82.2 | 153.8 | 175 | -79.9 | 79.3 | 0 | 0 | 0 | 117.6 | ||||
| 454 | N | 21.5 | Very low | 22.2 | Very low | 131 Ų | 131 | 143 Ų | 143 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -173 | 162.4 | -31.6 | -153 | -17.6 | 0 | 0 | 0 | 111.4 | ||||
| 455 | R | 22 | Very low | 22.2 | Very low | 192 Ų | 192 | 142 Ų | 142 | 73% | 0.725 | 75% | 0.753 | S | S | * | * | trans | 68.4 | 160.2 | 170.2 | -52 | -177.4 | -173.2 | 158.2 | 3.1 | 115.5 | ||||
| 456 | Y | 25.2 | Very low | 22.3 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -132.2 | 164.7 | 12.2 | -110.2 | -76.3 | 0 | 0 | 0 | 114.3 | ||||
| 457 | L | 19.4 | Very low | 22.2 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | -85.8 | -172.7 | 169.2 | -89.2 | 105.9 | 0 | 0 | 0 | 111.5 | ||||
| 458 | P | 29.9 | Very low | 22.3 | Very low | 94 Ų | 94 | 136 Ų | 136 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | cis | -140.4 | -170 | 6.2 | 33.6 | -9.5 | 0 | 0 | 0 | 117.3 | ||||
| 459 | N | 20.7 | Very low | 22.3 | Very low | 149 Ų | 149 | 135 Ų | 135 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 78.1 | 141.8 | 154.4 | -64.7 | -19.1 | 0 | 0 | 0 | 118.6 | ||||
| 460 | T | 22.7 | Very low | 22.4 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | cis | -134.8 | 159.1 | 4.4 | 46.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 461 | T | 21.7 | Very low | 22.5 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -123.1 | 163.3 | 154.4 | 62.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 462 | P | 26.4 | Very low | 22.6 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 62% | 0.623 | 75% | 0.746 | S | S | * | * | -160.1 | 177.5 | 90.4 | 37.8 | -15.8 | 0 | 0 | 0 | 117.9 | |||||
| 463 | Y | 22.1 | Very low | 22.3 | Very low | 218 Ų | 218 | 141.8 Ų | 141.8 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | 67.4 | 148.8 | 160.7 | -57.3 | -52.6 | 0 | 0 | 0 | 119.2 | ||||
| 464 | S | 21.2 | Very low | 22.5 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | cis | -164.2 | 159 | -17 | 52 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 465 | S | 20.7 | Very low | 22.6 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | trans | 67.9 | 143.1 | 141.1 | 57.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 466 | S | 21.8 | Very low | 22.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | trans | 69 | 102.5 | 144.1 | 49.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 467 | S | 19.7 | Very low | 22.5 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | 35.1 | 152 | 109.5 | 64.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 468 | L | 21.9 | Very low | 22.7 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | 74 | 127.8 | -176.8 | -67.5 | 94.9 | 0 | 0 | 0 | 113.7 | ||||
| 469 | L | 21.1 | Very low | 22.5 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | cis | 78.1 | 81.5 | 19.3 | -145.5 | -177.4 | 0 | 0 | 0 | 115.2 | ||||
| 470 | L | 22.2 | Very low | 22.5 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | -140.1 | 95.1 | 152.5 | -142.1 | 83.2 | 0 | 0 | 0 | 106.6 | ||||
| 471 | S | 22.6 | Very low | 22.5 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | 60 | 100.1 | 69.5 | -164.5 | 0 | 0 | 0 | 0 | 113.3 | K473 | S471-K473 PolarHBondContact O-N 3Š| |||
| 472 | K | 23 | Very low | 22.5 | Very low | 207 Ų | 207 | 129.1 Ų | 129.1 | 90% | 0.9 | 72% | 0.723 | S | S | * | * | trans | -70.5 | 113.2 | 153.9 | -92.7 | -173.2 | 176.1 | 179.2 | 0 | 108 | ||||
| 473 | K | 23 | Very low | 22.2 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -25.3 | 141.2 | 143.7 | -71.3 | 175.6 | -179.3 | 178.4 | 0 | 111.6 | S471 | S471-K473 PolarHBondContact O-N 3Š| ||
| 474 | N | 24.1 | Very low | 22.2 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | cis | -156.3 | 158.5 | 37.3 | -116.1 | -12.6 | 0 | 0 | 0 | 113.5 | ||||
| 475 | L | 24.1 | Very low | 22.2 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | 31.8 | 127.7 | 137.1 | -97.1 | 62.2 | 0 | 0 | 0 | 119.9 | ||||
| 476 | C | 21.1 | Very low | 22.1 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | cis | 56.5 | 141.3 | 40.1 | -48.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 477 | T | 23.7 | Very low | 21.9 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | cis | -168.4 | 176.9 | -13.3 | 24.9 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 478 | N | 23.2 | Very low | 22 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 66% | 0.658 | 73% | 0.731 | S | S | * | * | cis | -151.1 | -144.8 | 15.2 | -138.8 | -11.2 | 0 | 0 | 0 | 106.2 | ||||
| 479 | P | 26.3 | Very low | 22 | Very low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | S | Bend | cis | -122.3 | 166 | -4.9 | 45.8 | -31.1 | 0 | 0 | 0 | 113.5 | ||
| 480 | T | 20.5 | Very low | 22 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 63% | 0.632 | 73% | 0.734 | S | S | * | * | cis | -140.6 | 147.9 | 20.7 | 24.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 481 | N | 21.7 | Very low | 22 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | trans | 62.7 | 143.8 | 139 | -58.6 | 0.1 | 0 | 0 | 0 | 120.3 | ||||
| 482 | T | 21.8 | Very low | 21.9 | Very low | 111 Ų | 111 | 130 Ų | 130 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | cis | -161.9 | 146.2 | -11.6 | 16.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 483 | T | 21.3 | Very low | 21.7 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | trans | 46.4 | 108.5 | 143.5 | 64 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 484 | T | 20.3 | Very low | 21.7 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | 63.7 | 160.5 | 119.3 | 68.1 | 0 | 0 | 0 | 0 | 124 | |||||
| 485 | L | 21.5 | Very low | 21.6 | Very low | 145 Ų | 145 | 120.7 Ų | 120.7 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | 94.7 | 110.8 | 143.5 | -86.9 | 160.9 | 0 | 0 | 0 | 119.5 | ||||
| 486 | S | 18.7 | Very low | 21.4 | Very low | 92 Ų | 92 | 120 Ų | 120 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -52.5 | 138 | 150.6 | 49.3 | 0 | 0 | 0 | 0 | 113 | ||
| 487 | S | 18.9 | Very low | 21.5 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 36.7 | 89.5 | 146.7 | 61.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 488 | S | 21 | Very low | 21.4 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -136.7 | 152.9 | 148.8 | 57.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 489 | N | 20.8 | Very low | 21.4 | Very low | 167 Ų | 167 | 129 Ų | 129 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -105.3 | 141.1 | -163.5 | -72.1 | -41 | 0 | 0 | 0 | 113.3 | ||||
| 490 | G | 21.8 | Very low | 21.3 | Very low | 72 Ų | 72 | 127.6 Ų | 127.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | trans | 81.4 | 104.4 | 136.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 491 | H | 23.1 | Very low | 21.4 | Very low | 197 Ų | 197 | 129.4 Ų | 129.4 | 91% | 0.912 | 77% | 0.773 | S | S | * | * | -139.4 | 170.6 | 129.8 | -136.3 | -97.5 | 0 | 0 | 0 | 112.1 | |||||
| 492 | L | 19.8 | Very low | 21.6 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -88.1 | 162.5 | -151.7 | -159.3 | 69.2 | 0 | 0 | 0 | 115.7 | ||||
| 493 | S | 19.8 | Very low | 21.9 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 60% | 0.601 | 78% | 0.784 | S | S | * | * | trans | 83.8 | 114.4 | 142.5 | 42.4 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 494 | T | 21 | Very low | 22.6 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | 86.5 | 140.1 | 127.4 | 52.8 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 495 | S | 22.3 | Very low | 24 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 54.1 | 108.5 | 165.7 | 45.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 496 | C | 21.3 | Very low | 25.8 | Very low | 126 Ų | 126 | 130 Ų | 130 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | 61 | 105 | 63.3 | -60.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 497 | Q | 23.3 | Very low | 28 | Very low | 199 Ų | 199 | 129 Ų | 129 | 93% | 0.93 | 75% | 0.747 | S | S | * | * | -157.5 | 141 | 107.8 | -107.5 | -179.4 | 31.6 | 0 | 0 | 112.1 | |||||
| 498 | T | 21.7 | Very low | 30.4 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 84% | 0.84 | 71% | 0.712 | S | S | * | * | trans | -87.3 | 131.6 | 177.8 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 499 | K | 22.5 | Very low | 32.7 | Very low | 205 Ų | 205 | 123 Ų | 123 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | trans | -112.7 | 122.6 | 146 | -82.5 | -174.1 | 174.8 | 178.6 | 0 | 108.1 | I501 | K499-I501 PolarHBondContact O-N 3.13Š| ||
| 500 | G | 23.4 | Very low | 35.4 | Very low | 81 Ų | 81 | 115.3 Ų | 115.3 | 84% | 0.835 | 65% | 0.652 | S | S | * | * | trans | -71.3 | 109 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 501 | I | 24 | Very low | 38 | Very low | 141 Ų | 141 | 113 Ų | 113 | 72% | 0.723 | 62% | 0.621 | S | S | * | * | trans | -78.3 | 124.2 | 155.7 | -60.8 | 175.4 | 0 | 0 | 0 | 105.9 | K499 L503 | K499-I501 PolarHBondContact O-N 3.13Å; I501-L503 HydrophobicContact CG2-CG 4.35Å; I501-L503 PolarHBondContact O-N 3.44Å | ||
| 502 | N | 24.4 | Very low | 40.8 | Very low | 149 Ų | 149 | 103.6 Ų | 103.6 | 80% | 0.797 | 58% | 0.578 | S | S | * | * | trans | -67.9 | 89.8 | 162.4 | -87.9 | -14.8 | 0 | 0 | 0 | 107.5 | N504 | N502-N504 PolarHBondContact O-N 2.95Š| ||
| 503 | L | 29.7 | Very low | 43.5 | Very low | 147 Ų | 147 | 98.8 Ų | 98.8 | 77% | 0.77 | 55% | 0.551 | S | S | * | * | trans | -66.2 | 91.5 | 164.6 | -82.6 | 159.4 | 0 | 0 | 0 | 107.2 | I501 V505 | I501-L503 HydrophobicContact CG2-CG 4.35Å; I501-L503 PolarHBondContact O-N 3.44Å; L503-V505 PolarHBondContact O-N 3.47Å | ||
| 504 | N | 35.9 | Very low | 46.2 | Very low | 139 Ų | 139 | 94.7 Ų | 94.7 | 74% | 0.743 | 52% | 0.523 | S | S | * | . | trans | -59.4 | 102.8 | 166.9 | -77.3 | -9.2 | 0 | 0 | 0 | 107.3 | N502 H506 | N502-N504 PolarHBondContact O-N 2.95Å; N504-H506 PolarHBondContact O-N 2.84Å | ||
| 505 | V | 49.5 | Very low | 48.5 | Very low | 76 Ų | 76 | 90.8 Ų | 90.8 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | trans | -60.4 | 107.9 | 179.1 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | L503 H507 E553 | L503-V505 PolarHBondContact O-N 3.47Å; V505-H507 WeakPolarHBondContact CG1-CE1 3.41Å; V505-H507 PolarHBondContact O-N 3.46Å; V505-H507 VanDerWaalsContact O-N 3.13Å; V505-H507 PolarHBondContact O-ND1 3.13Å; V505-E553 HydrophobicContact CG1-CG 3.87Å; V505-E553 WeakPolarHBondContact CG1-OE2 3.41Å | ||
| 506 | H | 58 | Low | 50.6 | Low | 112 Ų | 112 | 87.3 Ų | 87.3 | 52% | 0.519 | 48% | 0.48 | S | S | . | . | trans | -85 | 93.9 | -166.4 | -155.8 | -72.1 | 0 | 0 | 0 | 109.6 | N504 P554 | N504-H506 PolarHBondContact O-N 2.84Å; H506-P554 VanDerWaalsContact O-CD 3.24Å; H506-P554 WeakPolarHBondContact O-CD 3.43Å | ||
| 507 | H | 65.5 | Low | 52.7 | Low | 70 Ų | 70 | 82 Ų | 82 | 32% | 0.324 | 44% | 0.443 | S | S | . | . | trans | -84.1 | 128.3 | -179.9 | -62.4 | 84.5 | 0 | 0 | 0 | 110.3 | V505 H537 V551 Y552 | V505-H507 WeakPolarHBondContact CG1-CE1 3.41Å; V505-H507 PolarHBondContact O-N 3.46Å; V505-H507 VanDerWaalsContact O-N 3.13Å; V505-H507 PolarHBondContact O-ND1 3.13Å; H507-H537 AromaticContact CD2-CD2 3.68Å; H507-H537 AromaticContact CD2-CG 3.96Å; H507-H537 AromaticContact CE1-CD2 3.98Å; H507-H537 AromaticContact NE2-CD2 3.21Å; H507-H537 PolarHBondContact NE2-CD2 3.47Å; H507-H537 AromaticContact NE2-CG 3.65Å; H507-H537 AromaticContact NE2-NE2 3.85Å; H507-V551 HydrophobicContact CB-CG1 3.88Å; H507-Y552 CarbonylContact C-O 3.59Å; H507-Y552 WeakPolarHBondContact CA-O 3.3Å | ||
| 508 | E | 70.2 | Confident | 54.4 | Low | 12 Ų | 12 | 74.5 Ų | 74.5 | 6% | 0.056 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 159.4 | 170.7 | -68.5 | -160.1 | 116.6 | 0 | 0 | 111.5 | V551 Y552 P554 S581 L582 | E508-V551 CarbonylContact O-C 3.48Å; E508-V551 VanDerWaalsContact O-CA 3.27Å; E508-V551 WeakPolarHBondContact O-CA 3.2Å; E508-Y552 HydrophobicContact CB-CD1 4.5Å; E508-Y552 HydrophobicContact CB-CE1 3.86Å; E508-Y552 HydrophobicContact CB-CE2 4.08Å; E508-Y552 PolarHBondContact N-O 2.8Å; E508-Y552 PolarHBondContact O-N 3.23Å; E508-Y552 PolarHBondContact OE2-OH 2.92Å; E508-P554 HydrophobicContact CG-CG 3.97Å; E508-P554 WeakPolarHBondContact OE2-CB 3.27Å; E508-S581 WeakPolarHBondContact CA-OG 3.3Å; E508-S581 WeakPolarHBondContact CB-OG 3.24Å; E508-S581 PolarHBondContact OE1-N 3.31Å; E508-L582 PolarHBondContact OE1-N 3.03Å |
| 509 | K | 69.1 | Low | 56.1 | Low | 87 Ų | 87 | 68.6 Ų | 68.6 | 38% | 0.378 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.4 | 164.9 | -81.8 | -168.5 | -174.8 | -166.5 | 0 | 109.8 | E549 I550 V551 S581 | K509-E549 HydrophobicContact CD-CG 4.47Å; K509-E549 WeakPolarHBondContact CE-OE1 3.5Å; K509-E549 IonicContact NZ-OE1 3.8Å; K509-E549 PolarHBondContact NZ-OE1 2.93Å; K509-I550 WeakPolarHBondContact CA-O 3.25Å; K509-V551 HydrophobicContact CG-CG2 3.9Å; K509-S581 PolarHBondContact N-OG 2.91Å; K509-S581 PolarHBondContact O-OG 3.42Å |
| 510 | C | 77.8 | Confident | 57.6 | Low | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 152.7 | 161.8 | 67.9 | 0 | 0 | 0 | 0 | 111.6 | I550 Y552 V559 L575 | C510-I550 PolarHBondContact N-O 2.82Å; C510-I550 PolarHBondContact O-N 2.84Å; C510-Y552 HydrophobicContact CB-CE1 3.75Å; C510-Y552 VanDerWaalsContact SG-CE1 3.59Å; C510-V559 HydrophobicContact CB-CG1 4.41Å; C510-V559 HydrophobicContact CB-CG2 4.2Å; C510-L575 HydrophobicContact CB-CD1 4.4Å |
| 511 | Y | 76.2 | Confident | 59.2 | Low | 23 Ų | 23 | 57.5 Ų | 57.5 | 9% | 0.09 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.5 | 175.6 | -59.6 | -69.7 | 0 | 0 | 0 | 110.3 | K547 A548 E549 L576 H579 | Y511-K547 HydrophobicContact CD1-CD 4.43Å; Y511-K547 HydrophobicContact CD1-CG 4.49Å; Y511-A548 CarbonylContact C-O 3.6Å; Y511-A548 VanDerWaalsContact CA-O 3.27Å; Y511-A548 WeakPolarHBondContact CA-O 3.39Å; Y511-E549 HydrophobicContact CD1-CB 3.9Å; Y511-E549 HydrophobicContact CD1-CG 4.08Å; Y511-E549 HydrophobicContact CE1-CB 3.84Å; Y511-E549 HydrophobicContact CE1-CG 3.6Å; Y511-L576 WeakPolarHBondContact O-CA 3.48Å; Y511-L576 PolarHBondContact O-N 3.01Å; Y511-H579 AromaticContact CE2-CD2 3.69Å |
| 512 | L | 81.5 | Confident | 61.4 | Low | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.1 | 173.7 | -52.1 | -177.2 | 0 | 0 | 0 | 109.6 | V514 K547 A548 I550 V559 I563 V566 A573 T574 L575 | L512-V514 HydrophobicContact CB-CG2 3.97Å; L512-V514 PolarHBondContact O-N 2.94Å; L512-K547 CarbonylContact O-C 3.5Å; L512-K547 WeakPolarHBondContact O-CA 3.29Å; L512-A548 HydrophobicContact CB-CB 4.29Å; L512-A548 PolarHBondContact N-O 2.8Å; L512-A548 PolarHBondContact O-N 2.93Å; L512-I550 HydrophobicContact CD1-CD1 3.73Å; L512-I550 HydrophobicContact CG-CD1 4.18Å; L512-V559 HydrophobicContact CD2-CG1 4.3Å; L512-I563 HydrophobicContact CD1-CG1 3.93Å; L512-I563 HydrophobicContact CD2-CD1 4.02Å; L512-I563 HydrophobicContact CD2-CG1 3.59Å; L512-I563 HydrophobicContact CG-CG1 4.41Å; L512-V566 HydrophobicContact CD1-CG2 4.4Å; L512-A573 HydrophobicContact CD1-CB 4.46Å; L512-T574 CarbonylContact C-O 3.57Å; L512-L575 HydrophobicContact CD2-CD1 3.78Å |
| 513 | H | 76.3 | Confident | 63.7 | Low | 45 Ų | 45 | 43.9 Ų | 43.9 | 21% | 0.208 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 114.9 | 161.7 | 171.6 | -110.4 | 0 | 0 | 0 | 108.4 | T515 M546 A573 T574 L576 | H513-T515 WeakPolarHBondContact CE1-CG2 3.32Å; H513-M546 CarbonylContact C-O 3.53Å; H513-M546 VanDerWaalsContact CA-O 3.3Å; H513-M546 WeakPolarHBondContact CA-O 3.22Å; H513-A573 WeakPolarHBondContact O-CA 3.48Å; H513-T574 PolarHBondContact N-O 3.41Å; H513-T574 PolarHBondContact ND1-OG1 2.83Å; H513-T574 PolarHBondContact O-N 3.3Å; H513-T574 PolarHBondContact O-OG1 3.35Å; H513-L576 HydrophobicContact CB-CD1 3.71Å; H513-L576 HydrophobicContact CB-CG 3.74Å |
| 514 | V | 76.7 | Confident | 65.6 | Low | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 110.5 | -173.7 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | L512 M517 I526 M546 A548 V566 F571 A573 | L512-V514 HydrophobicContact CB-CG2 3.97Å; L512-V514 PolarHBondContact O-N 2.94Å; V514-M517 HydrophobicContact CB-CE 4.04Å; V514-M517 HydrophobicContact CB-CG 4.26Å; V514-M517 HydrophobicContact CB-SD 4Å; V514-M517 HydrophobicContact CG1-CG 3.78Å; V514-M517 HydrophobicContact CG1-SD 3.95Å; V514-M517 WeakPolarHBondContact O-CE 3.35Å; V514-I526 HydrophobicContact CG1-CD1 4.03Å; V514-M546 PolarHBondContact N-O 3.46Å; V514-A548 HydrophobicContact CG2-CB 3.78Å; V514-V566 HydrophobicContact CG1-CG1 3.57Å; V514-V566 HydrophobicContact CG2-CG1 4.14Å; V514-F571 HydrophobicContact CG1-CB 3.64Å; V514-F571 HydrophobicContact CG1-CG 4.47Å; V514-A573 HydrophobicContact CG2-CB 4.21Å |
| 515 | T | 70.2 | Confident | 67.4 | Low | 47 Ų | 47 | 33.8 Ų | 33.8 | 29% | 0.288 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 156.9 | -177.4 | 65.8 | 0 | 0 | 0 | 0 | 112.2 | H513 M517 M546 S572 | H513-T515 WeakPolarHBondContact CE1-CG2 3.32Å; T515-M517 PolarHBondContact O-N 3.23Å; T515-M546 HydrophobicContact CG2-CE 3.96Å; T515-S572 PolarHBondContact N-O 2.87Å; T515-S572 PolarHBondContact O-N 2.91Å; T515-S572 WeakPolarHBondContact OG1-CB 3.19Å; T515-S572 PolarHBondContact OG1-O 3.35Å |
| 516 | G | 65.3 | Low | 69 | Low | 32 Ų | 32 | 30.1 Ų | 30.1 | 33% | 0.33 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 3.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K778 | G516-K778 PolarHBondContact O-NZ 3.04Š|
| 517 | M | 66.5 | Low | 70.3 | Confident | 15 Ų | 15 | 25.4 Ų | 25.4 | 7% | 0.074 | 14% | 0.139 | C | C | . | . | trans | -65.9 | 142.2 | 161.6 | -56.8 | -164 | -65.5 | 0 | 0 | 109.9 | V514 T515 V523 I526 V541 L543 F571 | V514-M517 HydrophobicContact CB-CE 4.04Å; V514-M517 HydrophobicContact CB-CG 4.26Å; V514-M517 HydrophobicContact CB-SD 4Å; V514-M517 HydrophobicContact CG1-CG 3.78Å; V514-M517 HydrophobicContact CG1-SD 3.95Å; V514-M517 WeakPolarHBondContact O-CE 3.35Å; T515-M517 PolarHBondContact O-N 3.23Å; M517-V523 HydrophobicContact SD-CG2 3.95Å; M517-I526 HydrophobicContact CG-CD1 3.87Å; M517-I526 HydrophobicContact SD-CD1 3.52Å; M517-I526 VanDerWaalsContact SD-CD1 3.52Å; M517-V541 HydrophobicContact CE-CG1 3.81Å; M517-V541 HydrophobicContact SD-CG1 3.45Å; M517-V541 WeakPolarHBondContact SD-CG1 3.38Å; M517-L543 HydrophobicContact CB-CD1 3.85Å; M517-F571 HydrophobicContact CG-CD1 4.1Å | ||
| 518 | T | 57.7 | Low | 71 | Confident | 41 Ų | 41 | 25.9 Ų | 25.9 | 25% | 0.252 | 14% | 0.142 | S | C | . | . | trans | -143.2 | -8.5 | -177 | 65.1 | 0 | 0 | 0 | 0 | 116.2 | H775 | T518-H775 VanDerWaalsContact CB-NE2 3.26Å; T518-H775 WeakPolarHBondContact CB-NE2 3.49Å; T518-H775 PolarHBondContact OG1-CD2 3.35Å; T518-H775 PolarHBondContact OG1-NE2 2.99Å | ||
| 519 | C | 57.5 | Low | 71.7 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 8% | 0.081 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -152.5 | 166.1 | 179.2 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | S521 C522 V523 N786 | C519-S521 PolarHBondContact O-N 2.73Å; C519-S521 VanDerWaalsContact O-N 3.13Å; C519-C522 PolarHBondContact O-N 3Å; C519-C522 PolarHBondContact SG-SG 3.5Å; C519-V523 PolarHBondContact O-N 2.99Å; C519-N786 PolarHBondContact SG-ND2 3.49Å |
| 520 | S | 54.3 | Low | 72.5 | Confident | 38 Ų | 38 | 23.4 Ų | 23.4 | 27% | 0.266 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -57.5 | -25.2 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | V523 H524 D996 | S520-V523 WeakPolarHBondContact O-CB 3.41Å; S520-H524 PolarHBondContact O-N 3.23Å; S520-D996 WeakPolarHBondContact CB-OD1 3.49Å; S520-D996 PolarHBondContact OG-OD1 2.93Å |
| 521 | S | 57.9 | Low | 72.8 | Confident | 16 Ų | 16 | 27.3 Ų | 27.3 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -80.8 | -38.6 | -179.9 | -33.2 | 0 | 0 | 0 | 0 | 113.1 | C519 V523 H524 I525 N786 | C519-S521 PolarHBondContact O-N 2.73Å; C519-S521 VanDerWaalsContact O-N 3.13Å; S521-V523 PolarHBondContact O-N 3.32Å; S521-H524 CarbonylContact O-C 3.41Å; S521-H524 PolarHBondContact O-N 3.08Å; S521-I525 WeakPolarHBondContact O-CB 3.19Å; S521-I525 VanDerWaalsContact O-CD1 3.29Å; S521-I525 WeakPolarHBondContact O-CD1 3.44Å; S521-I525 VanDerWaalsContact O-CG1 3.23Å; S521-I525 WeakPolarHBondContact O-CG1 3.19Å; S521-I525 PolarHBondContact O-N 3.39Å; S521-N786 WeakPolarHBondContact CB-ND2 3.32Å; S521-N786 WeakPolarHBondContact CB-OD1 3.48Å; S521-N786 PolarHBondContact OG-ND2 2.93Å; S521-N786 VanDerWaalsContact OG-ND2 3.16Å; S521-N786 PolarHBondContact OG-OD1 2.88Å |
| 522 | C | 68.8 | Low | 73.2 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.3 | -44.5 | 170.9 | -68 | 0 | 0 | 0 | 0 | 110.2 | C519 I525 I526 F571 | C519-C522 PolarHBondContact O-N 3Å; C519-C522 PolarHBondContact SG-SG 3.5Å; C522-I525 WeakPolarHBondContact O-CB 3.39Å; C522-I525 PolarHBondContact O-N 2.83Å; C522-I526 WeakPolarHBondContact O-CD1 3.21Å; C522-I526 VanDerWaalsContact O-CG1 3.31Å; C522-I526 WeakPolarHBondContact O-CG1 3.41Å; C522-I526 PolarHBondContact O-N 3.49Å; C522-I526 VanDerWaalsContact O-N 3.1Å; C522-F571 HydrophobicContact CB-CE1 3.72Å; C522-F571 HydrophobicContact CB-CZ 3.64Å |
| 523 | V | 72.4 | Confident | 73.4 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.7 | -49.2 | 173.9 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | M517 C519 S520 S521 I525 I526 E527 V541 L543 | M517-V523 HydrophobicContact SD-CG2 3.95Å; C519-V523 PolarHBondContact O-N 2.99Å; S520-V523 WeakPolarHBondContact O-CB 3.41Å; S521-V523 PolarHBondContact O-N 3.32Å; V523-I525 PolarHBondContact O-N 2.94Å; V523-I526 PolarHBondContact O-N 2.97Å; V523-E527 WeakPolarHBondContact O-CG 3.27Å; V523-E527 PolarHBondContact O-N 2.76Å; V523-V541 HydrophobicContact CB-CB 4.41Å; V523-V541 HydrophobicContact CB-CG1 4.3Å; V523-V541 HydrophobicContact CG1-CB 3.54Å; V523-V541 HydrophobicContact CG1-CG1 3.83Å; V523-V541 WeakPolarHBondContact CG1-O 3.47Å; V523-V541 HydrophobicContact CG2-CG1 4.17Å; V523-L543 HydrophobicContact CG2-CB 3.91Å; V523-L543 HydrophobicContact CG2-CD1 3.91Å; V523-L543 HydrophobicContact CG2-CG 4.47Å |
| 524 | H | 69.5 | Low | 73.7 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.7 | -29.9 | 179.2 | -161 | 50.4 | 0 | 0 | 0 | 114.4 | S520 S521 E527 Q528 | S520-H524 PolarHBondContact O-N 3.23Å; S521-H524 CarbonylContact O-C 3.41Å; S521-H524 PolarHBondContact O-N 3.08Å; H524-E527 WeakPolarHBondContact CA-OE2 3.44Å; H524-E527 IonicContact CG-OE2 4Å; H524-E527 IonicContact ND1-OE2 3.91Å; H524-E527 PolarHBondContact ND1-OE2 3.07Å; H524-Q528 PolarHBondContact CD2-NE2 3.15Å; H524-Q528 PolarHBondContact NE2-NE2 3.12Å; H524-Q528 WeakPolarHBondContact O-CB 3.33Å; H524-Q528 WeakPolarHBondContact O-CG 3.32Å; H524-Q528 PolarHBondContact O-N 3.13Å |
| 525 | I | 74.2 | Confident | 74 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 172 | -70.7 | 152.8 | 0 | 0 | 0 | 110.2 | S521 C522 V523 N529 L569 H782 I784 | S521-I525 WeakPolarHBondContact O-CB 3.19Å; S521-I525 VanDerWaalsContact O-CD1 3.29Å; S521-I525 WeakPolarHBondContact O-CD1 3.44Å; S521-I525 VanDerWaalsContact O-CG1 3.23Å; S521-I525 WeakPolarHBondContact O-CG1 3.19Å; S521-I525 PolarHBondContact O-N 3.39Å; C522-I525 WeakPolarHBondContact O-CB 3.39Å; C522-I525 PolarHBondContact O-N 2.83Å; V523-I525 PolarHBondContact O-N 2.94Å; I525-N529 WeakPolarHBondContact O-CB 3.37Å; I525-N529 PolarHBondContact O-N 3.49Å; I525-N529 VanDerWaalsContact O-N 3.13Å; I525-N529 PolarHBondContact O-ND2 2.92Å; I525-L569 HydrophobicContact CG2-CD2 4.28Å; I525-H782 HydrophobicContact CD1-CB 3.31Å; I525-H782 HydrophobicContact CG1-CB 3.96Å; I525-H782 HydrophobicContact CG2-CB 4.04Å; I525-I784 HydrophobicContact CD1-CD1 4.18Å; I525-I784 HydrophobicContact CD1-CG1 4.32Å; I525-I784 HydrophobicContact CG1-CD1 3.56Å; I525-I784 HydrophobicContact CG1-CG1 4.06Å |
| 526 | I | 82.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.5 | -50.9 | 176.7 | -63.5 | 157.5 | 0 | 0 | 0 | 109.6 | V514 M517 C522 V523 Q528 N529 L530 V541 V566 F571 | V514-I526 HydrophobicContact CG1-CD1 4.03Å; M517-I526 HydrophobicContact CG-CD1 3.87Å; M517-I526 HydrophobicContact SD-CD1 3.52Å; M517-I526 VanDerWaalsContact SD-CD1 3.52Å; C522-I526 WeakPolarHBondContact O-CD1 3.21Å; C522-I526 VanDerWaalsContact O-CG1 3.31Å; C522-I526 WeakPolarHBondContact O-CG1 3.41Å; C522-I526 PolarHBondContact O-N 3.49Å; C522-I526 VanDerWaalsContact O-N 3.1Å; V523-I526 PolarHBondContact O-N 2.97Å; I526-Q528 PolarHBondContact O-N 3.2Å; I526-N529 PolarHBondContact O-N 3.18Å; I526-L530 HydrophobicContact CG2-CD1 3.58Å; I526-L530 HydrophobicContact CG2-CG 4.19Å; I526-L530 WeakPolarHBondContact O-CB 3.22Å; I526-L530 VanDerWaalsContact O-CG 3.27Å; I526-L530 WeakPolarHBondContact O-CG 3.28Å; I526-L530 PolarHBondContact O-N 2.98Å; I526-V541 HydrophobicContact CB-CG2 4.33Å; I526-V541 HydrophobicContact CG2-CG2 3.88Å; I526-V566 HydrophobicContact CG2-CG2 4.12Å; I526-F571 HydrophobicContact CD1-CB 4.49Å; I526-F571 HydrophobicContact CD1-CD1 4.44Å; I526-F571 HydrophobicContact CD1-CD2 3.79Å; I526-F571 HydrophobicContact CD1-CE2 4.07Å; I526-F571 HydrophobicContact CD1-CG 4Å; I526-F571 HydrophobicContact CG1-CD2 3.81Å; I526-F571 HydrophobicContact CG1-CE2 3.96Å; I526-F571 HydrophobicContact CG1-CG 4.5Å |
| 527 | E | 84.7 | Confident | 75.5 | Confident | 13 Ų | 13 | 45.6 Ų | 45.6 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -52.3 | -54.4 | 176.1 | -69.1 | 169 | 166.7 | 0 | 0 | 112.3 | V523 H524 N529 L530 L531 V541 K988 | V523-E527 WeakPolarHBondContact O-CG 3.27Å; V523-E527 PolarHBondContact O-N 2.76Å; H524-E527 WeakPolarHBondContact CA-OE2 3.44Å; H524-E527 IonicContact CG-OE2 4Å; H524-E527 IonicContact ND1-OE2 3.91Å; H524-E527 PolarHBondContact ND1-OE2 3.07Å; E527-N529 VanDerWaalsContact C-N 3.34Å; E527-N529 PolarHBondContact O-N 2.82Å; E527-L530 PolarHBondContact O-N 2.7Å; E527-L531 WeakPolarHBondContact O-CB 3.45Å; E527-L531 WeakPolarHBondContact O-CG 3.46Å; E527-L531 PolarHBondContact O-N 3.45Å; E527-V541 HydrophobicContact CG-CB 4.05Å; E527-V541 HydrophobicContact CG-CG2 3.81Å; E527-V541 PolarHBondContact OE1-N 2.86Å; E527-V541 VanDerWaalsContact OE1-N 3.16Å; E527-K988 VanDerWaalsContact OE1-CE 3.24Å; E527-K988 WeakPolarHBondContact OE1-CE 3.39Å; E527-K988 IonicContact OE1-NZ 2.7Å; E527-K988 PolarHBondContact OE1-NZ 3.34Å; E527-K988 IonicContact OE2-NZ 3.93Å; E527-K988 PolarHBondContact OE2-NZ 3Å |
| 528 | Q | 80.9 | Confident | 76.1 | Confident | 80 Ų | 80 | 46.9 Ų | 46.9 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.8 | -35.9 | -177.9 | -80.3 | -159.9 | 24.2 | 0 | 0 | 113.5 | H524 I526 K532 | H524-Q528 PolarHBondContact CD2-NE2 3.15Å; H524-Q528 PolarHBondContact NE2-NE2 3.12Å; H524-Q528 WeakPolarHBondContact O-CB 3.33Å; H524-Q528 WeakPolarHBondContact O-CG 3.32Å; H524-Q528 PolarHBondContact O-N 3.13Å; I526-Q528 PolarHBondContact O-N 3.2Å; Q528-K532 WeakPolarHBondContact O-CD 3.37Å; Q528-K532 WeakPolarHBondContact O-CE 3.29Å; Q528-K532 WeakPolarHBondContact O-CG 3.24Å; Q528-K532 PolarHBondContact O-N 3.44Å |
| 529 | N | 84.7 | Confident | 77.2 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -84 | -25.8 | -177.3 | -71.1 | -57.4 | 0 | 0 | 0 | 112.6 | I525 I526 E527 K532 L569 | I525-N529 WeakPolarHBondContact O-CB 3.37Å; I525-N529 PolarHBondContact O-N 3.49Å; I525-N529 VanDerWaalsContact O-N 3.13Å; I525-N529 PolarHBondContact O-ND2 2.92Å; I526-N529 PolarHBondContact O-N 3.18Å; E527-N529 VanDerWaalsContact C-N 3.34Å; E527-N529 PolarHBondContact O-N 2.82Å; N529-K532 PolarHBondContact OD1-NZ 3.39Å; N529-L569 HydrophobicContact CB-CD1 3.8Å; N529-L569 HydrophobicContact CB-CD2 4.19Å |
| 530 | L | 87.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.3 | -46.4 | 166 | -68.6 | 173.2 | 0 | 0 | 0 | 111.1 | I526 E527 K532 L533 V536 A539 I550 L562 V566 | I526-L530 HydrophobicContact CG2-CD1 3.58Å; I526-L530 HydrophobicContact CG2-CG 4.19Å; I526-L530 WeakPolarHBondContact O-CB 3.22Å; I526-L530 VanDerWaalsContact O-CG 3.27Å; I526-L530 WeakPolarHBondContact O-CG 3.28Å; I526-L530 PolarHBondContact O-N 2.98Å; E527-L530 PolarHBondContact O-N 2.7Å; L530-K532 PolarHBondContact O-N 3.2Å; L530-K532 VanDerWaalsContact O-N 3.12Å; L530-L533 HydrophobicContact CD2-CD1 3.95Å; L530-L533 VanDerWaalsContact O-CB 3.28Å; L530-L533 WeakPolarHBondContact O-CB 3.39Å; L530-L533 WeakPolarHBondContact O-CG 3.23Å; L530-L533 PolarHBondContact O-N 3.01Å; L530-V536 WeakPolarHBondContact O-CB 3.17Å; L530-A539 HydrophobicContact CB-CB 3.68Å; L530-A539 HydrophobicContact CD1-CB 3.97Å; L530-I550 HydrophobicContact CD1-CD1 3.63Å; L530-I550 HydrophobicContact CD1-CG1 4Å; L530-I550 HydrophobicContact CD2-CD1 4.21Å; L530-L562 HydrophobicContact CD2-CD2 4.1Å; L530-V566 HydrophobicContact CD1-CG2 4.4Å; L530-V566 HydrophobicContact CD2-CG2 4.15Å |
| 531 | L | 84.3 | Confident | 78.8 | Confident | 88 Ų | 88 | 46 Ų | 46 | 46% | 0.461 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.4 | 176.4 | -76.2 | 165.4 | 0 | 0 | 0 | 114.6 | E527 A539 | E527-L531 WeakPolarHBondContact O-CB 3.45Å; E527-L531 WeakPolarHBondContact O-CG 3.46Å; E527-L531 PolarHBondContact O-N 3.45Å; L531-A539 HydrophobicContact CG-CB 4.2Å |
| 532 | K | 83.7 | Confident | 78.9 | Confident | 136 Ų | 136 | 45.7 Ų | 45.7 | 59% | 0.591 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -11.1 | 171.6 | -75.6 | 165.7 | -162.7 | 166.7 | 0 | 113.3 | Q528 N529 L530 | Q528-K532 WeakPolarHBondContact O-CD 3.37Å; Q528-K532 WeakPolarHBondContact O-CE 3.29Å; Q528-K532 WeakPolarHBondContact O-CG 3.24Å; Q528-K532 PolarHBondContact O-N 3.44Å; N529-K532 PolarHBondContact OD1-NZ 3.39Å; L530-K532 PolarHBondContact O-N 3.2Å; L530-K532 VanDerWaalsContact O-N 3.12Å |
| 533 | L | 86 | Confident | 78.6 | Confident | 41 Ų | 41 | 48.4 Ų | 48.4 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -79.8 | 127.9 | 178.3 | -59.1 | 169.9 | 0 | 0 | 0 | 109.8 | L530 G535 V536 I557 L562 K565 | L530-L533 HydrophobicContact CD2-CD1 3.95Å; L530-L533 VanDerWaalsContact O-CB 3.28Å; L530-L533 WeakPolarHBondContact O-CB 3.39Å; L530-L533 WeakPolarHBondContact O-CG 3.23Å; L530-L533 PolarHBondContact O-N 3.01Å; L533-G535 PolarHBondContact O-N 2.79Å; L533-V536 HydrophobicContact CB-CB 4.43Å; L533-V536 HydrophobicContact CB-CG2 3.89Å; L533-V536 HydrophobicContact CD1-CG2 4.29Å; L533-V536 PolarHBondContact O-N 3.02Å; L533-V536 VanDerWaalsContact O-N 3.07Å; L533-I557 HydrophobicContact CB-CD1 3.83Å; L533-I557 HydrophobicContact CD1-CD1 3.72Å; L533-I557 HydrophobicContact CG-CD1 4.22Å; L533-L562 HydrophobicContact CD1-CD2 3.92Å; L533-K565 HydrophobicContact CD1-CB 4.36Å; L533-K565 HydrophobicContact CD1-CG 4.16Å; L533-K565 HydrophobicContact CD2-CD 4.31Å; L533-K565 HydrophobicContact CD2-CG 4.36Å |
| 534 | K | 82.4 | Confident | 77.7 | Confident | 189 Ų | 189 | 52.5 Ų | 52.5 | 82% | 0.822 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 127.8 | 170.7 | -66.9 | -176.2 | 178 | -178.5 | 0 | 108.7 | ||
| 535 | G | 83.2 | Confident | 77.1 | Confident | 15 Ų | 15 | 52 Ų | 52 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | -11.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L533 Y552 E553 | L533-G535 PolarHBondContact O-N 2.79Å; G535-Y552 CarbonylContact O-C 3.58Å; G535-Y552 WeakPolarHBondContact O-CA 3.42Å; G535-E553 PolarHBondContact O-N 3.03Å |
| 536 | V | 85.5 | Confident | 76.7 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 9% | 0.085 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 124.2 | 169.6 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | L530 L533 A539 I550 I557 L562 | L530-V536 WeakPolarHBondContact O-CB 3.17Å; L533-V536 HydrophobicContact CB-CB 4.43Å; L533-V536 HydrophobicContact CB-CG2 3.89Å; L533-V536 HydrophobicContact CD1-CG2 4.29Å; L533-V536 PolarHBondContact O-N 3.02Å; L533-V536 VanDerWaalsContact O-N 3.07Å; V536-A539 HydrophobicContact CG1-CB 4.34Å; V536-I550 HydrophobicContact CG1-CG2 3.85Å; V536-I550 HydrophobicContact CG2-CG2 4.28Å; V536-I557 HydrophobicContact CG2-CD1 4.47Å; V536-I557 HydrophobicContact CG2-CG2 4.32Å; V536-L562 HydrophobicContact CG2-CD2 3.63Å |
| 537 | H | 81.1 | Confident | 76 | Confident | 135 Ų | 135 | 56.9 Ų | 56.9 | 63% | 0.625 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -29.2 | -177.6 | -148.8 | 36.9 | 0 | 0 | 0 | 112.7 | H507 V551 | H507-H537 AromaticContact CD2-CD2 3.68Å; H507-H537 AromaticContact CD2-CG 3.96Å; H507-H537 AromaticContact CE1-CD2 3.98Å; H507-H537 AromaticContact NE2-CD2 3.21Å; H507-H537 PolarHBondContact NE2-CD2 3.47Å; H507-H537 AromaticContact NE2-CG 3.65Å; H507-H537 AromaticContact NE2-NE2 3.85Å; H537-V551 HydrophobicContact CB-CG1 4.31Å; H537-V551 PolarHBondContact N-O 3.36Å |
| 538 | S | 78.3 | Confident | 75.6 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 30% | 0.301 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 145 | 169.7 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | I550 V551 | S538-I550 WeakPolarHBondContact O-CA 3.39Å; S538-V551 PolarHBondContact N-O 3.43Å; S538-V551 PolarHBondContact O-N 3.11Å |
| 539 | A | 81.4 | Confident | 75.3 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 121.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | L530 L531 V536 E549 | L530-A539 HydrophobicContact CB-CB 3.68Å; L530-A539 HydrophobicContact CD1-CB 3.97Å; L531-A539 HydrophobicContact CG-CB 4.2Å; V536-A539 HydrophobicContact CG1-CB 4.34Å; A539-E549 WeakPolarHBondContact CA-O 3.47Å |
| 540 | L | 72 | Confident | 75.4 | Confident | 65 Ų | 65 | 52 Ų | 52 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 132 | 177.3 | -88.3 | 165.5 | 0 | 0 | 0 | 108.2 | A548 E549 | L540-A548 CarbonylContact O-C 3.5Å; L540-A548 WeakPolarHBondContact O-CA 3.23Å; L540-E549 HydrophobicContact CB-CB 4.49Å; L540-E549 PolarHBondContact N-O 2.92Å; L540-E549 PolarHBondContact O-N 2.83Å |
| 541 | V | 74 | Confident | 75 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.2 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | M517 V523 I526 E527 A548 | M517-V541 HydrophobicContact CE-CG1 3.81Å; M517-V541 HydrophobicContact SD-CG1 3.45Å; M517-V541 WeakPolarHBondContact SD-CG1 3.38Å; V523-V541 HydrophobicContact CB-CB 4.41Å; V523-V541 HydrophobicContact CB-CG1 4.3Å; V523-V541 HydrophobicContact CG1-CB 3.54Å; V523-V541 HydrophobicContact CG1-CG1 3.83Å; V523-V541 WeakPolarHBondContact CG1-O 3.47Å; V523-V541 HydrophobicContact CG2-CG1 4.17Å; I526-V541 HydrophobicContact CB-CG2 4.33Å; I526-V541 HydrophobicContact CG2-CG2 3.88Å; E527-V541 HydrophobicContact CG-CB 4.05Å; E527-V541 HydrophobicContact CG-CG2 3.81Å; E527-V541 PolarHBondContact OE1-N 2.86Å; E527-V541 VanDerWaalsContact OE1-N 3.16Å; V541-A548 HydrophobicContact CB-CB 4.38Å; V541-A548 HydrophobicContact CG1-CB 4.12Å; V541-A548 HydrophobicContact CG2-CB 3.71Å |
| 542 | A | 59.5 | Low | 75.2 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 7% | 0.066 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 113.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I544 A545 M546 K547 T986 | A542-I544 VanDerWaalsContact C-N 3.32Å; A542-I544 PolarHBondContact O-N 3.44Å; A542-A545 HydrophobicContact CB-CB 4.32Å; A542-M546 WeakPolarHBondContact O-CA 3.5Å; A542-M546 PolarHBondContact O-N 3.19Å; A542-K547 PolarHBondContact N-O 3.04Å; A542-K547 PolarHBondContact O-N 2.94Å; A542-T986 HydrophobicContact CB-CG2 3.56Å |
| 543 | L | 63.1 | Low | 75.3 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -39.8 | 179.6 | -171.7 | 63.8 | 0 | 0 | 0 | 112.3 | M517 V523 | M517-L543 HydrophobicContact CB-CD1 3.85Å; V523-L543 HydrophobicContact CG2-CB 3.91Å; V523-L543 HydrophobicContact CG2-CD1 3.91Å; V523-L543 HydrophobicContact CG2-CG 4.47Å |
| 544 | I | 53.9 | Low | 75 | Confident | 89 Ų | 89 | 45.2 Ų | 45.2 | 46% | 0.456 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -51.3 | -170.5 | -58.5 | 174.3 | 0 | 0 | 0 | 110.6 | A542 M546 M1070 | A542-I544 VanDerWaalsContact C-N 3.32Å; A542-I544 PolarHBondContact O-N 3.44Å; I544-M546 PolarHBondContact O-N 2.96Å; I544-M1070 HydrophobicContact CD1-CE 3.72Å |
| 545 | A | 56.4 | Low | 74.8 | Confident | 57 Ų | 57 | 41.2 Ų | 41.2 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -1.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | A542 K547 T986 | A542-A545 HydrophobicContact CB-CB 4.32Å; A545-K547 HydrophobicContact CB-CB 3.98Å; A545-K547 PolarHBondContact O-N 2.89Å; A545-T986 HydrophobicContact CB-CG2 4.24Å |
| 546 | M | 66 | Low | 74.8 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 31.6 | -172 | -61.3 | -179.6 | 58.2 | 0 | 0 | 113.1 | H513 V514 T515 A542 I544 | H513-M546 CarbonylContact C-O 3.53Å; H513-M546 VanDerWaalsContact CA-O 3.3Å; H513-M546 WeakPolarHBondContact CA-O 3.22Å; V514-M546 PolarHBondContact N-O 3.46Å; T515-M546 HydrophobicContact CG2-CE 3.96Å; A542-M546 WeakPolarHBondContact O-CA 3.5Å; A542-M546 PolarHBondContact O-N 3.19Å; I544-M546 PolarHBondContact O-N 2.96Å |
| 547 | K | 67 | Low | 74.8 | Confident | 58 Ų | 58 | 45.5 Ų | 45.5 | 25% | 0.252 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.2 | -169.5 | -179 | 176.2 | 175.9 | 178.3 | 0 | 110 | Y511 L512 A542 A545 L576 | Y511-K547 HydrophobicContact CD1-CD 4.43Å; Y511-K547 HydrophobicContact CD1-CG 4.49Å; L512-K547 CarbonylContact O-C 3.5Å; L512-K547 WeakPolarHBondContact O-CA 3.29Å; A542-K547 PolarHBondContact N-O 3.04Å; A542-K547 PolarHBondContact O-N 2.94Å; A545-K547 HydrophobicContact CB-CB 3.98Å; A545-K547 PolarHBondContact O-N 2.89Å; K547-L576 HydrophobicContact CB-CD1 4.48Å; K547-L576 HydrophobicContact CD-CD1 4.45Å; K547-L576 HydrophobicContact CG-CD1 4.18Å |
| 548 | A | 77.2 | Confident | 75 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y511 L512 V514 L540 V541 | Y511-A548 CarbonylContact C-O 3.6Å; Y511-A548 VanDerWaalsContact CA-O 3.27Å; Y511-A548 WeakPolarHBondContact CA-O 3.39Å; L512-A548 HydrophobicContact CB-CB 4.29Å; L512-A548 PolarHBondContact N-O 2.8Å; L512-A548 PolarHBondContact O-N 2.93Å; V514-A548 HydrophobicContact CG2-CB 3.78Å; L540-A548 CarbonylContact O-C 3.5Å; L540-A548 WeakPolarHBondContact O-CA 3.23Å; V541-A548 HydrophobicContact CB-CB 4.38Å; V541-A548 HydrophobicContact CG1-CB 4.12Å; V541-A548 HydrophobicContact CG2-CB 3.71Å |
| 549 | E | 75.4 | Confident | 75.2 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.9 | 172.4 | 176.4 | 179.4 | 160.6 | 0 | 0 | 108.9 | K509 Y511 A539 L540 | K509-E549 HydrophobicContact CD-CG 4.47Å; K509-E549 WeakPolarHBondContact CE-OE1 3.5Å; K509-E549 IonicContact NZ-OE1 3.8Å; K509-E549 PolarHBondContact NZ-OE1 2.93Å; Y511-E549 HydrophobicContact CD1-CB 3.9Å; Y511-E549 HydrophobicContact CD1-CG 4.08Å; Y511-E549 HydrophobicContact CE1-CB 3.84Å; Y511-E549 HydrophobicContact CE1-CG 3.6Å; A539-E549 WeakPolarHBondContact CA-O 3.47Å; L540-E549 HydrophobicContact CB-CB 4.49Å; L540-E549 PolarHBondContact N-O 2.92Å; L540-E549 PolarHBondContact O-N 2.83Å |
| 550 | I | 85.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.4 | -178.4 | -46.9 | 173.5 | 0 | 0 | 0 | 108.6 | K509 C510 L512 L530 V536 S538 L562 | K509-I550 WeakPolarHBondContact CA-O 3.25Å; C510-I550 PolarHBondContact N-O 2.82Å; C510-I550 PolarHBondContact O-N 2.84Å; L512-I550 HydrophobicContact CD1-CD1 3.73Å; L512-I550 HydrophobicContact CG-CD1 4.18Å; L530-I550 HydrophobicContact CD1-CD1 3.63Å; L530-I550 HydrophobicContact CD1-CG1 4Å; L530-I550 HydrophobicContact CD2-CD1 4.21Å; V536-I550 HydrophobicContact CG1-CG2 3.85Å; V536-I550 HydrophobicContact CG2-CG2 4.28Å; S538-I550 WeakPolarHBondContact O-CA 3.39Å; I550-L562 HydrophobicContact CB-CD1 4.45Å; I550-L562 HydrophobicContact CD1-CB 4.21Å; I550-L562 HydrophobicContact CD1-CD1 4.13Å; I550-L562 HydrophobicContact CG2-CD1 4.02Å; I550-L562 HydrophobicContact CG2-CD2 4.45Å |
| 551 | V | 80.3 | Confident | 76 | Confident | 27 Ų | 27 | 51.6 Ų | 51.6 | 16% | 0.164 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.7 | 167 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | H507 E508 K509 H537 S538 | H507-V551 HydrophobicContact CB-CG1 3.88Å; E508-V551 CarbonylContact O-C 3.48Å; E508-V551 VanDerWaalsContact O-CA 3.27Å; E508-V551 WeakPolarHBondContact O-CA 3.2Å; K509-V551 HydrophobicContact CG-CG2 3.9Å; H537-V551 HydrophobicContact CB-CG1 4.31Å; H537-V551 PolarHBondContact N-O 3.36Å; S538-V551 PolarHBondContact N-O 3.43Å; S538-V551 PolarHBondContact O-N 3.11Å |
| 552 | Y | 87.1 | Confident | 76.7 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 161.4 | -176.4 | 70 | -82.6 | 0 | 0 | 0 | 112.4 | H507 E508 C510 G535 P554 I557 V559 L562 | H507-Y552 CarbonylContact C-O 3.59Å; H507-Y552 WeakPolarHBondContact CA-O 3.3Å; E508-Y552 HydrophobicContact CB-CD1 4.5Å; E508-Y552 HydrophobicContact CB-CE1 3.86Å; E508-Y552 HydrophobicContact CB-CE2 4.08Å; E508-Y552 PolarHBondContact N-O 2.8Å; E508-Y552 PolarHBondContact O-N 3.23Å; E508-Y552 PolarHBondContact OE2-OH 2.92Å; C510-Y552 HydrophobicContact CB-CE1 3.75Å; C510-Y552 VanDerWaalsContact SG-CE1 3.59Å; G535-Y552 CarbonylContact O-C 3.58Å; G535-Y552 WeakPolarHBondContact O-CA 3.42Å; Y552-P554 HydrophobicContact CE2-CB 3.95Å; Y552-I557 HydrophobicContact CD2-CG2 4.11Å; Y552-I557 WeakPolarHBondContact CD2-O 3.36Å; Y552-I557 HydrophobicContact CG-CG2 4.36Å; Y552-V559 HydrophobicContact CE1-CG2 4.05Å; Y552-V559 HydrophobicContact CE2-CG2 4.26Å; Y552-V559 VanDerWaalsContact OH-CG2 3.3Å; Y552-V559 WeakPolarHBondContact OH-CG2 3.48Å; Y552-L562 HydrophobicContact CD1-CD1 3.86Å; Y552-L562 HydrophobicContact CE1-CD1 4.43Å; Y552-L562 HydrophobicContact CG-CD1 3.94Å |
| 553 | E | 86.4 | Confident | 78 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 20% | 0.201 | 28% | 0.278 | C | S | . | . | trans | -99.4 | 113.5 | 173.2 | -151.6 | -165.9 | 145.2 | 0 | 0 | 109.1 | V505 G535 T555 L556 I557 | V505-E553 HydrophobicContact CG1-CG 3.87Å; V505-E553 WeakPolarHBondContact CG1-OE2 3.41Å; G535-E553 PolarHBondContact O-N 3.03Å; E553-T555 WeakPolarHBondContact CG-OG1 3.44Å; E553-T555 PolarHBondContact O-N 3.31Å; E553-T555 VanDerWaalsContact O-N 3.15Å; E553-T555 PolarHBondContact OE1-OG1 3.13Å; E553-L556 HydrophobicContact CB-CD1 4.39Å; E553-L556 PolarHBondContact O-N 3.23Å; E553-L556 WeakPolarHBondContact OE2-CD1 3.49Å; E553-I557 PolarHBondContact O-N 3.3Å; E553-I557 VanDerWaalsContact O-N 3.1Å | ||
| 554 | P | 78.8 | Confident | 79.2 | Confident | 42 Ų | 42 | 55.6 Ų | 55.6 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.3 | -173.1 | 26.6 | -35.1 | 0 | 0 | 0 | 113.7 | H506 E508 Y552 L556 | H506-P554 VanDerWaalsContact O-CD 3.24Å; H506-P554 WeakPolarHBondContact O-CD 3.43Å; E508-P554 HydrophobicContact CG-CG 3.97Å; E508-P554 WeakPolarHBondContact OE2-CB 3.27Å; Y552-P554 HydrophobicContact CE2-CB 3.95Å; P554-L556 VanDerWaalsContact C-N 3.3Å |
| 555 | T | 79.5 | Confident | 80.7 | Confident | 106 Ų | 106 | 54.8 Ų | 54.8 | 65% | 0.65 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -27.4 | 172.9 | 54.1 | 0 | 0 | 0 | 0 | 113 | E553 | E553-T555 WeakPolarHBondContact CG-OG1 3.44Å; E553-T555 PolarHBondContact O-N 3.31Å; E553-T555 VanDerWaalsContact O-N 3.15Å; E553-T555 PolarHBondContact OE1-OG1 3.13Å |
| 556 | L | 83.4 | Confident | 82.1 | Confident | 105 Ų | 105 | 52 Ų | 52 | 55% | 0.55 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -32.5 | -173.3 | -69.5 | 176.4 | 0 | 0 | 0 | 112.8 | E553 P554 | E553-L556 HydrophobicContact CB-CD1 4.39Å; E553-L556 PolarHBondContact O-N 3.23Å; E553-L556 WeakPolarHBondContact OE2-CD1 3.49Å; P554-L556 VanDerWaalsContact C-N 3.3Å |
| 557 | I | 85.1 | Confident | 83 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | trans | -148.2 | 140.3 | -178.2 | -164.2 | 160.5 | 0 | 0 | 0 | 112 | L533 V536 Y552 E553 Q561 L562 | L533-I557 HydrophobicContact CB-CD1 3.83Å; L533-I557 HydrophobicContact CD1-CD1 3.72Å; L533-I557 HydrophobicContact CG-CD1 4.22Å; V536-I557 HydrophobicContact CG2-CD1 4.47Å; V536-I557 HydrophobicContact CG2-CG2 4.32Å; Y552-I557 HydrophobicContact CD2-CG2 4.11Å; Y552-I557 WeakPolarHBondContact CD2-O 3.36Å; Y552-I557 HydrophobicContact CG-CG2 4.36Å; E553-I557 PolarHBondContact O-N 3.3Å; E553-I557 VanDerWaalsContact O-N 3.1Å; I557-Q561 HydrophobicContact CG1-CB 4.08Å; I557-L562 HydrophobicContact CD1-CD2 3.7Å; I557-L562 HydrophobicContact CD1-CG 4.44Å; I557-L562 HydrophobicContact CG1-CD2 4.13Å; I557-L562 HydrophobicContact CG1-CG 4.39Å; I557-L562 HydrophobicContact CG2-CD2 4.44Å | ||
| 558 | T | 84.5 | Confident | 83.7 | Confident | 71 Ų | 71 | 57 Ų | 57 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | trans | -103.2 | 150.6 | 179.5 | 49.2 | 0 | 0 | 0 | 0 | 112.5 | K560 Q561 L562 | T558-K560 PolarHBondContact O-N 3.14Å; T558-K560 VanDerWaalsContact O-N 3.12Å; T558-Q561 WeakPolarHBondContact O-CA 3.29Å; T558-Q561 WeakPolarHBondContact O-CB 3.29Å; T558-Q561 PolarHBondContact O-N 3.12Å; T558-Q561 VanDerWaalsContact OG1-CD 3.27Å; T558-Q561 WeakPolarHBondContact OG1-CG 3.49Å; T558-Q561 PolarHBondContact OG1-OE1 3.47Å; T558-L562 PolarHBondContact O-N 3.48Å; T558-L562 VanDerWaalsContact O-N 3.13Å | ||
| 559 | V | 82.9 | Confident | 83.7 | Confident | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.139 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.9 | -36.2 | 179.3 | -176.4 | 0 | 0 | 0 | 0 | 112.9 | C510 L512 Y552 Q561 L562 I563 L575 | C510-V559 HydrophobicContact CB-CG1 4.41Å; C510-V559 HydrophobicContact CB-CG2 4.2Å; L512-V559 HydrophobicContact CD2-CG1 4.3Å; Y552-V559 HydrophobicContact CE1-CG2 4.05Å; Y552-V559 HydrophobicContact CE2-CG2 4.26Å; Y552-V559 VanDerWaalsContact OH-CG2 3.3Å; Y552-V559 WeakPolarHBondContact OH-CG2 3.48Å; V559-Q561 VanDerWaalsContact C-N 3.32Å; V559-Q561 PolarHBondContact O-N 3.35Å; V559-L562 WeakPolarHBondContact O-CB 3.24Å; V559-L562 PolarHBondContact O-N 3.38Å; V559-I563 HydrophobicContact CG1-CD1 4.13Å; V559-I563 WeakPolarHBondContact O-CG1 3.18Å; V559-I563 PolarHBondContact O-N 3.07Å; V559-L575 HydrophobicContact CG1-CD1 3.76Å; V559-L575 HydrophobicContact CG1-CD2 4.43Å |
| 560 | K | 83.4 | Confident | 83.5 | Confident | 177 Ų | 177 | 58.2 Ų | 58.2 | 77% | 0.77 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.7 | -32.4 | 175.3 | -66.9 | -175.9 | -180 | 178.9 | 0 | 113.1 | T558 K564 | T558-K560 PolarHBondContact O-N 3.14Å; T558-K560 VanDerWaalsContact O-N 3.12Å; K560-K564 VanDerWaalsContact O-CB 3.3Å; K560-K564 WeakPolarHBondContact O-CB 3.3Å; K560-K564 PolarHBondContact O-N 3.34Å; K560-K564 VanDerWaalsContact O-N 3.08Å |
| 561 | Q | 86.8 | Confident | 83.2 | Confident | 105 Ų | 105 | 58.3 Ų | 58.3 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74 | -36.4 | 173.1 | -66.2 | 166.1 | -42.7 | 0 | 0 | 111.4 | I557 T558 V559 K565 | I557-Q561 HydrophobicContact CG1-CB 4.08Å; T558-Q561 WeakPolarHBondContact O-CA 3.29Å; T558-Q561 WeakPolarHBondContact O-CB 3.29Å; T558-Q561 PolarHBondContact O-N 3.12Å; T558-Q561 VanDerWaalsContact OG1-CD 3.27Å; T558-Q561 WeakPolarHBondContact OG1-CG 3.49Å; T558-Q561 PolarHBondContact OG1-OE1 3.47Å; V559-Q561 VanDerWaalsContact C-N 3.32Å; V559-Q561 PolarHBondContact O-N 3.35Å; Q561-K565 WeakPolarHBondContact O-CB 3.46Å; Q561-K565 PolarHBondContact O-N 3.49Å |
| 562 | L | 89.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -51 | 173.8 | -61.8 | 174.3 | 0 | 0 | 0 | 111.1 | L530 L533 V536 I550 Y552 I557 T558 V559 K564 K565 V566 | L530-L562 HydrophobicContact CD2-CD2 4.1Å; L533-L562 HydrophobicContact CD1-CD2 3.92Å; V536-L562 HydrophobicContact CG2-CD2 3.63Å; I550-L562 HydrophobicContact CB-CD1 4.45Å; I550-L562 HydrophobicContact CD1-CB 4.21Å; I550-L562 HydrophobicContact CD1-CD1 4.13Å; I550-L562 HydrophobicContact CG2-CD1 4.02Å; I550-L562 HydrophobicContact CG2-CD2 4.45Å; Y552-L562 HydrophobicContact CD1-CD1 3.86Å; Y552-L562 HydrophobicContact CE1-CD1 4.43Å; Y552-L562 HydrophobicContact CG-CD1 3.94Å; I557-L562 HydrophobicContact CD1-CD2 3.7Å; I557-L562 HydrophobicContact CD1-CG 4.44Å; I557-L562 HydrophobicContact CG1-CD2 4.13Å; I557-L562 HydrophobicContact CG1-CG 4.39Å; I557-L562 HydrophobicContact CG2-CD2 4.44Å; T558-L562 PolarHBondContact O-N 3.48Å; T558-L562 VanDerWaalsContact O-N 3.13Å; V559-L562 WeakPolarHBondContact O-CB 3.24Å; V559-L562 PolarHBondContact O-N 3.38Å; L562-K564 PolarHBondContact O-N 2.91Å; L562-K565 PolarHBondContact O-N 2.68Å; L562-K565 VanDerWaalsContact O-N 3.16Å; L562-V566 WeakPolarHBondContact O-CG2 3.36Å; L562-V566 PolarHBondContact O-N 2.89Å; L562-V566 VanDerWaalsContact O-N 3.1Å |
| 563 | I | 86.3 | Confident | 82.6 | Confident | 29 Ų | 29 | 60.3 Ų | 60.3 | 15% | 0.149 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.6 | -55.1 | 174.3 | -72.1 | 167.2 | 0 | 0 | 0 | 110.4 | L512 V559 K565 V566 E567 A573 L575 | L512-I563 HydrophobicContact CD1-CG1 3.93Å; L512-I563 HydrophobicContact CD2-CD1 4.02Å; L512-I563 HydrophobicContact CD2-CG1 3.59Å; L512-I563 HydrophobicContact CG-CG1 4.41Å; V559-I563 HydrophobicContact CG1-CD1 4.13Å; V559-I563 WeakPolarHBondContact O-CG1 3.18Å; V559-I563 PolarHBondContact O-N 3.07Å; I563-K565 PolarHBondContact O-N 2.85Å; I563-V566 PolarHBondContact O-N 3.33Å; I563-E567 HydrophobicContact CG2-CG 4.41Å; I563-E567 WeakPolarHBondContact O-CG 3.41Å; I563-E567 PolarHBondContact O-N 3.35Å; I563-A573 HydrophobicContact CG2-CB 4.33Å; I563-A573 WeakPolarHBondContact CG2-O 3.47Å; I563-L575 HydrophobicContact CD1-CB 4.23Å |
| 564 | K | 87.4 | Confident | 82.1 | Confident | 125 Ų | 125 | 62 Ų | 62 | 54% | 0.543 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.1 | -33 | -179.3 | -170.7 | 175.7 | 179 | 179.8 | 0 | 112.5 | K560 L562 E567 E568 | K560-K564 VanDerWaalsContact O-CB 3.3Å; K560-K564 WeakPolarHBondContact O-CB 3.3Å; K560-K564 PolarHBondContact O-N 3.34Å; K560-K564 VanDerWaalsContact O-N 3.08Å; L562-K564 PolarHBondContact O-N 2.91Å; K564-E567 PolarHBondContact O-N 3.46Å; K564-E568 WeakPolarHBondContact O-CB 3.43Å; K564-E568 VanDerWaalsContact O-CG 3.3Å; K564-E568 WeakPolarHBondContact O-CG 3.12Å; K564-E568 PolarHBondContact O-N 2.82Å |
| 565 | K | 86.6 | Confident | 82 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69 | -36.2 | 175.1 | -159.8 | 73.8 | -150 | 164.4 | 0 | 112.6 | L533 Q561 L562 I563 E568 L569 | L533-K565 HydrophobicContact CD1-CB 4.36Å; L533-K565 HydrophobicContact CD1-CG 4.16Å; L533-K565 HydrophobicContact CD2-CD 4.31Å; L533-K565 HydrophobicContact CD2-CG 4.36Å; Q561-K565 WeakPolarHBondContact O-CB 3.46Å; Q561-K565 PolarHBondContact O-N 3.49Å; L562-K565 PolarHBondContact O-N 2.68Å; L562-K565 VanDerWaalsContact O-N 3.16Å; I563-K565 PolarHBondContact O-N 2.85Å; K565-E568 WeakPolarHBondContact CE-OE2 3.33Å; K565-E568 IonicContact NZ-OE2 3.45Å; K565-E568 PolarHBondContact NZ-OE2 3.02Å; K565-E568 PolarHBondContact O-N 3.04Å; K565-L569 VanDerWaalsContact O-CG 3.29Å; K565-L569 WeakPolarHBondContact O-CG 3.5Å; K565-L569 PolarHBondContact O-N 2.93Å; K565-L569 VanDerWaalsContact O-N 3.09Å |
| 566 | V | 86.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.4 | -36.2 | 174.2 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | L512 V514 I526 L530 L562 I563 L569 G570 F571 A573 | L512-V566 HydrophobicContact CD1-CG2 4.4Å; V514-V566 HydrophobicContact CG1-CG1 3.57Å; V514-V566 HydrophobicContact CG2-CG1 4.14Å; I526-V566 HydrophobicContact CG2-CG2 4.12Å; L530-V566 HydrophobicContact CD1-CG2 4.4Å; L530-V566 HydrophobicContact CD2-CG2 4.15Å; L562-V566 WeakPolarHBondContact O-CG2 3.36Å; L562-V566 PolarHBondContact O-N 2.89Å; L562-V566 VanDerWaalsContact O-N 3.1Å; I563-V566 PolarHBondContact O-N 3.33Å; V566-L569 CarbonylContact O-C 3.55Å; V566-L569 WeakPolarHBondContact O-CB 3.47Å; V566-L569 PolarHBondContact O-N 3.23Å; V566-G570 PolarHBondContact O-N 2.88Å; V566-F571 CarbonylContact C-O 3.54Å; V566-F571 VanDerWaalsContact C-O 3.24Å; V566-F571 HydrophobicContact CG1-CB 3.87Å; V566-F571 PolarHBondContact O-N 3.03Å; V566-F571 VanDerWaalsContact O-N 3.14Å; V566-A573 HydrophobicContact CB-CB 3.89Å; V566-A573 HydrophobicContact CG1-CB 3.8Å |
| 567 | E | 83.7 | Confident | 79.6 | Confident | 101 Ų | 101 | 61 Ų | 61 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 172.7 | -65.1 | -179.6 | 132.2 | 0 | 0 | 112.9 | I563 K564 L569 G570 F571 | I563-E567 HydrophobicContact CG2-CG 4.41Å; I563-E567 WeakPolarHBondContact O-CG 3.41Å; I563-E567 PolarHBondContact O-N 3.35Å; K564-E567 PolarHBondContact O-N 3.46Å; E567-L569 PolarHBondContact O-N 3.16Å; E567-G570 WeakPolarHBondContact O-CA 3.34Å; E567-G570 PolarHBondContact O-N 2.95Å; E567-F571 WeakPolarHBondContact CA-O 3.44Å; E567-F571 PolarHBondContact N-O 3.02Å |
| 568 | E | 82.3 | Confident | 77.7 | Confident | 111 Ų | 111 | 66.1 Ų | 66.1 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -30.4 | 171.1 | -77.3 | 171.4 | -160.7 | 0 | 0 | 112.1 | K564 K565 G570 | K564-E568 WeakPolarHBondContact O-CB 3.43Å; K564-E568 VanDerWaalsContact O-CG 3.3Å; K564-E568 WeakPolarHBondContact O-CG 3.12Å; K564-E568 PolarHBondContact O-N 2.82Å; K565-E568 WeakPolarHBondContact CE-OE2 3.33Å; K565-E568 IonicContact NZ-OE2 3.45Å; K565-E568 PolarHBondContact NZ-OE2 3.02Å; K565-E568 PolarHBondContact O-N 3.04Å; E568-G570 PolarHBondContact O-N 2.88Å |
| 569 | L | 77.1 | Confident | 75.8 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -0.3 | 169.3 | -65.9 | 166.3 | 0 | 0 | 0 | 112.8 | I525 N529 K565 V566 E567 F571 H782 | I525-L569 HydrophobicContact CG2-CD2 4.28Å; N529-L569 HydrophobicContact CB-CD1 3.8Å; N529-L569 HydrophobicContact CB-CD2 4.19Å; K565-L569 VanDerWaalsContact O-CG 3.29Å; K565-L569 WeakPolarHBondContact O-CG 3.5Å; K565-L569 PolarHBondContact O-N 2.93Å; K565-L569 VanDerWaalsContact O-N 3.09Å; V566-L569 CarbonylContact O-C 3.55Å; V566-L569 WeakPolarHBondContact O-CB 3.47Å; V566-L569 PolarHBondContact O-N 3.23Å; E567-L569 PolarHBondContact O-N 3.16Å; L569-F571 HydrophobicContact CB-CD2 3.93Å; L569-F571 HydrophobicContact CB-CE2 4.24Å; L569-F571 WeakPolarHBondContact O-CD2 3.48Å; L569-F571 WeakPolarHBondContact O-CE2 3.36Å; L569-H782 PolarHBondContact O-CE1 2.82Å; L569-H782 CovalentContact O-NE2 1.75Å; L569-H782 PolarHBondContact O-NE2 2.84Å |
| 570 | G | 71.1 | Confident | 73.7 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 42% | 0.423 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 24.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V566 E567 E568 | V566-G570 PolarHBondContact O-N 2.88Å; E567-G570 WeakPolarHBondContact O-CA 3.34Å; E567-G570 PolarHBondContact O-N 2.95Å; E568-G570 PolarHBondContact O-N 2.88Å |
| 571 | F | 78.9 | Confident | 71.5 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | trans | -121.3 | 122.9 | 172.9 | -54.8 | -81.9 | 0 | 0 | 0 | 109.1 | V514 M517 C522 I526 V566 E567 L569 A573 H782 | V514-F571 HydrophobicContact CG1-CB 3.64Å; V514-F571 HydrophobicContact CG1-CG 4.47Å; M517-F571 HydrophobicContact CG-CD1 4.1Å; C522-F571 HydrophobicContact CB-CE1 3.72Å; C522-F571 HydrophobicContact CB-CZ 3.64Å; I526-F571 HydrophobicContact CD1-CB 4.49Å; I526-F571 HydrophobicContact CD1-CD1 4.44Å; I526-F571 HydrophobicContact CD1-CD2 3.79Å; I526-F571 HydrophobicContact CD1-CE2 4.07Å; I526-F571 HydrophobicContact CD1-CG 4Å; I526-F571 HydrophobicContact CG1-CD2 3.81Å; I526-F571 HydrophobicContact CG1-CE2 3.96Å; I526-F571 HydrophobicContact CG1-CG 4.5Å; V566-F571 CarbonylContact C-O 3.54Å; V566-F571 VanDerWaalsContact C-O 3.24Å; V566-F571 HydrophobicContact CG1-CB 3.87Å; V566-F571 PolarHBondContact O-N 3.03Å; V566-F571 VanDerWaalsContact O-N 3.14Å; E567-F571 WeakPolarHBondContact CA-O 3.44Å; E567-F571 PolarHBondContact N-O 3.02Å; L569-F571 HydrophobicContact CB-CD2 3.93Å; L569-F571 HydrophobicContact CB-CE2 4.24Å; L569-F571 WeakPolarHBondContact O-CD2 3.48Å; L569-F571 WeakPolarHBondContact O-CE2 3.36Å; F571-A573 PolarHBondContact O-N 3.18Å; F571-H782 AromaticContact CE1-CE1 3.67Å; F571-H782 AromaticContact CE2-CE1 3.24Å; F571-H782 WeakPolarHBondContact CE2-CE1 3.49Å; F571-H782 AromaticContact CE2-NE2 3.68Å; F571-H782 AromaticContact CZ-CE1 2.89Å; F571-H782 WeakPolarHBondContact CZ-CE1 3.42Å | ||
| 572 | S | 74.5 | Confident | 68.9 | Low | 74 Ų | 74 | 63.8 Ų | 63.8 | 52% | 0.517 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 117.8 | -177 | -55.1 | 0 | 0 | 0 | 0 | 110 | T515 | T515-S572 PolarHBondContact N-O 2.87Å; T515-S572 PolarHBondContact O-N 2.91Å; T515-S572 WeakPolarHBondContact OG1-CB 3.19Å; T515-S572 PolarHBondContact OG1-O 3.35Å |
| 573 | A | 80.4 | Confident | 66.3 | Low | 6 Ų | 6 | 67.6 Ų | 67.6 | 5% | 0.05 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L512 H513 V514 I563 V566 F571 | L512-A573 HydrophobicContact CD1-CB 4.46Å; H513-A573 WeakPolarHBondContact O-CA 3.48Å; V514-A573 HydrophobicContact CG2-CB 4.21Å; I563-A573 HydrophobicContact CG2-CB 4.33Å; I563-A573 WeakPolarHBondContact CG2-O 3.47Å; V566-A573 HydrophobicContact CB-CB 3.89Å; V566-A573 HydrophobicContact CG1-CB 3.8Å; F571-A573 PolarHBondContact O-N 3.18Å |
| 574 | T | 76.4 | Confident | 63.7 | Low | 79 Ų | 79 | 69.2 Ų | 69.2 | 49% | 0.485 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.9 | 175.5 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | L512 H513 L576 | L512-T574 CarbonylContact C-O 3.57Å; H513-T574 PolarHBondContact N-O 3.41Å; H513-T574 PolarHBondContact ND1-OG1 2.83Å; H513-T574 PolarHBondContact O-N 3.3Å; H513-T574 PolarHBondContact O-OG1 3.35Å; T574-L576 PolarHBondContact O-N 3.4Å |
| 575 | L | 75.9 | Confident | 61.2 | Low | 64 Ų | 64 | 71.4 Ų | 71.4 | 34% | 0.335 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 119.7 | 175.5 | -172.3 | 59.6 | 0 | 0 | 0 | 110.1 | C510 L512 V559 I563 Q578 | C510-L575 HydrophobicContact CB-CD1 4.4Å; L512-L575 HydrophobicContact CD2-CD1 3.78Å; V559-L575 HydrophobicContact CG1-CD1 3.76Å; V559-L575 HydrophobicContact CG1-CD2 4.43Å; I563-L575 HydrophobicContact CD1-CB 4.23Å; L575-Q578 HydrophobicContact CD2-CG 4.14Å |
| 576 | L | 60.5 | Low | 59 | Low | 68 Ų | 68 | 71 Ų | 71 | 36% | 0.356 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 146.4 | 155.9 | -88.5 | 162.8 | 0 | 0 | 0 | 107 | Y511 H513 K547 T574 | Y511-L576 WeakPolarHBondContact O-CA 3.48Å; Y511-L576 PolarHBondContact O-N 3.01Å; H513-L576 HydrophobicContact CB-CD1 3.71Å; H513-L576 HydrophobicContact CB-CG 3.74Å; K547-L576 HydrophobicContact CB-CD1 4.48Å; K547-L576 HydrophobicContact CD-CD1 4.45Å; K547-L576 HydrophobicContact CG-CD1 4.18Å; T574-L576 PolarHBondContact O-N 3.4Å |
| 577 | E | 53.2 | Low | 57.4 | Low | 99 Ų | 99 | 73.5 Ų | 73.5 | 46% | 0.463 | 42% | 0.423 | S | S | . | . | trans | -33.1 | 135.3 | -163.5 | -73 | 167.8 | 107.7 | 0 | 0 | 116.2 | H579 T590 | E577-H579 VanDerWaalsContact C-N 3.32Å; E577-H579 PolarHBondContact O-N 2.82Å; E577-T590 WeakPolarHBondContact OE1-CB 3.49Å; E577-T590 WeakPolarHBondContact OE1-CG2 3.4Å; E577-T590 PolarHBondContact OE1-OG1 3.07Å | ||
| 578 | Q | 44.4 | Very low | 56.1 | Low | 121 Ų | 121 | 71.9 Ų | 71.9 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | trans | -63.8 | 93 | 172 | -115.6 | 164.9 | -88.1 | 0 | 0 | 109.1 | L575 D580 | L575-Q578 HydrophobicContact CD2-CG 4.14Å; Q578-D580 WeakPolarHBondContact CG-OD1 3.27Å; Q578-D580 PolarHBondContact NE2-OD1 3.05Å; Q578-D580 PolarHBondContact O-N 3.33Å | ||
| 579 | H | 44.8 | Very low | 55.2 | Low | 103 Ų | 103 | 67.5 Ų | 67.5 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | trans | -63.3 | 80.5 | 143.9 | -85.2 | -74.7 | 0 | 0 | 0 | 107.1 | Y511 E577 S581 | Y511-H579 AromaticContact CE2-CD2 3.69Å; E577-H579 VanDerWaalsContact C-N 3.32Å; E577-H579 PolarHBondContact O-N 2.82Å; H579-S581 PolarHBondContact O-N 3.48Å; H579-S581 PolarHBondContact O-OG 2.91Å | ||
| 580 | D | 38 | Very low | 54.7 | Low | 65 Ų | 65 | 69.4 Ų | 69.4 | 35% | 0.348 | 41% | 0.41 | S | S | . | . | trans | -54.5 | 101.4 | 174.1 | -81.7 | -30.8 | 0 | 0 | 0 | 108.3 | Q578 L582 H583 | Q578-D580 WeakPolarHBondContact CG-OD1 3.27Å; Q578-D580 PolarHBondContact NE2-OD1 3.05Å; Q578-D580 PolarHBondContact O-N 3.33Å; D580-L582 PolarHBondContact O-N 3.19Å; D580-H583 HydrophobicContact CB-CB 4.17Å; D580-H583 CarbonylContact O-C 3.57Å; D580-H583 VanDerWaalsContact O-CA 3.29Å; D580-H583 WeakPolarHBondContact O-CA 3.37Å; D580-H583 WeakPolarHBondContact O-CB 3.39Å; D580-H583 PolarHBondContact O-N 3.45Å | ||
| 581 | S | 37 | Very low | 54.8 | Low | 32 Ų | 32 | 68.3 Ų | 68.3 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -81.2 | -14.1 | -177.2 | -10.6 | 0 | 0 | 0 | 0 | 111.2 | E508 K509 H579 H583 G584 | E508-S581 WeakPolarHBondContact CA-OG 3.3Å; E508-S581 WeakPolarHBondContact CB-OG 3.24Å; E508-S581 PolarHBondContact OE1-N 3.31Å; K509-S581 PolarHBondContact N-OG 2.91Å; K509-S581 PolarHBondContact O-OG 3.42Å; H579-S581 PolarHBondContact O-N 3.48Å; H579-S581 PolarHBondContact O-OG 2.91Å; S581-H583 PolarHBondContact O-N 2.93Å; S581-G584 PolarHBondContact O-N 3.25Å |
| 582 | L | 33.3 | Very low | 54.8 | Low | 127 Ų | 127 | 71.6 Ų | 71.6 | 67% | 0.665 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -56.4 | -13.4 | 152.1 | -99.3 | 157.3 | 0 | 0 | 0 | 114.7 | E508 D580 | E508-L582 PolarHBondContact OE1-N 3.03Å; D580-L582 PolarHBondContact O-N 3.19Å |
| 583 | H | 35.5 | Very low | 55.1 | Low | 80 Ų | 80 | 68 Ų | 68 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -117.7 | 49.4 | 169.8 | -80 | -52.3 | 0 | 0 | 0 | 112.7 | D580 S581 N585 T586 R588 | D580-H583 HydrophobicContact CB-CB 4.17Å; D580-H583 CarbonylContact O-C 3.57Å; D580-H583 VanDerWaalsContact O-CA 3.29Å; D580-H583 WeakPolarHBondContact O-CA 3.37Å; D580-H583 WeakPolarHBondContact O-CB 3.39Å; D580-H583 PolarHBondContact O-N 3.45Å; S581-H583 PolarHBondContact O-N 2.93Å; H583-N585 PolarHBondContact O-N 3.45Å; H583-N585 VanDerWaalsContact O-N 3.16Å; H583-T586 WeakPolarHBondContact CB-OG1 3.43Å; H583-T586 PolarHBondContact O-N 2.92Å; H583-R588 PolarHBondContact CD2-NH1 2.95Å; H583-R588 PolarHBondContact CE1-NH2 2.85Å; H583-R588 VanDerWaalsContact CE1-NH2 3.26Å; H583-R588 PolarHBondContact NE2-NH1 2.87Å; H583-R588 PolarHBondContact NE2-NH2 2.93Å; H583-R588 VanDerWaalsContact NE2-NH2 3.15Å |
| 584 | G | 30.9 | Very low | 55.1 | Low | 63 Ų | 63 | 69.8 Ų | 69.8 | 65% | 0.649 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | 123.4 | 153.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S581 | S581-G584 PolarHBondContact O-N 3.25Š|
| 585 | N | 34.8 | Very low | 55.4 | Low | 171 Ų | 171 | 66 Ų | 66 | 91% | 0.914 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 34.9 | 175.2 | -153.2 | 60.7 | 0 | 0 | 0 | 117.3 | H583 | H583-N585 PolarHBondContact O-N 3.45Å; H583-N585 VanDerWaalsContact O-N 3.16Å |
| 586 | T | 40.9 | Very low | 55 | Low | 62 Ų | 62 | 67.4 Ų | 67.4 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | trans | -122.4 | 108.5 | 159.6 | 73 | 0 | 0 | 0 | 0 | 111.7 | H583 R588 | H583-T586 WeakPolarHBondContact CB-OG1 3.43Å; H583-T586 PolarHBondContact O-N 2.92Å; T586-R588 PolarHBondContact O-N 2.91Å | ||
| 587 | G | 51.3 | Low | 55.4 | Low | 53 Ų | 53 | 72.5 Ų | 72.5 | 55% | 0.546 | 40% | 0.398 | S | S | . | . | trans | -68.6 | 93.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T635 P636 | G587-T635 WeakPolarHBondContact O-CG2 3.31Å; G587-P636 WeakPolarHBondContact O-CD 3.11Å | ||
| 588 | R | 56.5 | Low | 55.9 | Low | 67 Ų | 67 | 68.6 Ų | 68.6 | 25% | 0.253 | 38% | 0.38 | S | S | . | . | trans | -116.8 | 136.6 | 171.7 | -62.4 | -173.6 | -166.7 | 135.8 | 5.9 | 109.4 | H583 T586 Y619 Y634 | H583-R588 PolarHBondContact CD2-NH1 2.95Å; H583-R588 PolarHBondContact CE1-NH2 2.85Å; H583-R588 VanDerWaalsContact CE1-NH2 3.26Å; H583-R588 PolarHBondContact NE2-NH1 2.87Å; H583-R588 PolarHBondContact NE2-NH2 2.93Å; H583-R588 VanDerWaalsContact NE2-NH2 3.15Å; T586-R588 PolarHBondContact O-N 2.91Å; R588-Y619 VanDerWaalsContact NE-CE2 3.25Å; R588-Y619 VanDerWaalsContact NH2-CZ 3.26Å; R588-Y619 PolarHBondContact NH2-OH 2.99Å; R588-Y634 CarbonylContact C-O 3.59Å; R588-Y634 WeakPolarHBondContact CA-O 3.47Å; R588-Y634 WeakPolarHBondContact CB-O 3.31Å | ||
| 589 | G | 62.8 | Low | 56.4 | Low | 19 Ų | 19 | 65.5 Ų | 65.5 | 20% | 0.196 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 157.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y634 | G589-Y634 PolarHBondContact N-O 3.3Å; G589-Y634 WeakPolarHBondContact O-CD1 3.41Å; G589-Y634 PolarHBondContact O-N 3.45Å |
| 590 | T | 67.8 | Low | 57.2 | Low | 63 Ų | 63 | 67.1 Ų | 67.1 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 143.3 | 166.7 | 46.8 | 0 | 0 | 0 | 0 | 109.9 | E577 I632 V633 | E577-T590 WeakPolarHBondContact OE1-CB 3.49Å; E577-T590 WeakPolarHBondContact OE1-CG2 3.4Å; E577-T590 PolarHBondContact OE1-OG1 3.07Å; T590-I632 WeakPolarHBondContact CA-O 3.25Å; T590-V633 HydrophobicContact CG2-CG2 4.15Å |
| 591 | I | 73.5 | Confident | 58.5 | Low | 18 Ų | 18 | 68.6 Ų | 68.6 | 9% | 0.092 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 154.4 | 172.6 | -121.8 | 178.2 | 0 | 0 | 0 | 110.6 | F593 R631 I632 Y634 P641 L644 L657 | I591-F593 HydrophobicContact CD1-CZ 4.46Å; I591-F593 HydrophobicContact CG2-CD2 3.78Å; I591-F593 HydrophobicContact CG2-CE2 3.28Å; I591-F593 HydrophobicContact CG2-CZ 3.8Å; I591-R631 CarbonylContact O-C 3.47Å; I591-R631 WeakPolarHBondContact O-CA 3.21Å; I591-I632 HydrophobicContact CG2-CB 4.37Å; I591-I632 PolarHBondContact N-O 3.4Å; I591-I632 PolarHBondContact O-N 3.28Å; I591-Y634 HydrophobicContact CB-CD1 4.45Å; I591-Y634 HydrophobicContact CB-CE1 3.88Å; I591-Y634 HydrophobicContact CD1-CE1 4.42Å; I591-Y634 HydrophobicContact CG1-CE1 4.41Å; I591-P641 HydrophobicContact CD1-CB 3.54Å; I591-P641 HydrophobicContact CD1-CG 3.59Å; I591-L644 HydrophobicContact CG2-CD1 4.43Å; I591-L657 HydrophobicContact CD1-CD1 4.05Å; I591-L657 HydrophobicContact CG1-CD1 4.14Å |
| 592 | H | 78.3 | Confident | 59.8 | Low | 69 Ų | 69 | 71.3 Ų | 71.3 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.4 | -178.7 | -74.9 | -101.3 | 0 | 0 | 0 | 110.2 | L630 L657 C658 | H592-L630 CarbonylContact C-O 3.24Å; H592-L630 VanDerWaalsContact CA-O 3.31Å; H592-L630 WeakPolarHBondContact CA-O 3.24Å; H592-L657 WeakPolarHBondContact O-CD1 3.42Å; H592-C658 HydrophobicContact CB-CB 3.48Å; H592-C658 VanDerWaalsContact CB-CB 3.48Å; H592-C658 WeakPolarHBondContact O-CB 3.4Å; H592-C658 PolarHBondContact O-N 3.08Å |
| 593 | F | 81.4 | Confident | 61.5 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121 | 175.7 | -68.1 | -69.8 | 0 | 0 | 0 | 111.3 | I591 I595 C629 L630 I632 L644 M645 I648 P655 V656 L657 C658 | I591-F593 HydrophobicContact CD1-CZ 4.46Å; I591-F593 HydrophobicContact CG2-CD2 3.78Å; I591-F593 HydrophobicContact CG2-CE2 3.28Å; I591-F593 HydrophobicContact CG2-CZ 3.8Å; F593-I595 PolarHBondContact O-N 3.11Å; F593-C629 CarbonylContact O-C 3.51Å; F593-C629 WeakPolarHBondContact O-CA 3.43Å; F593-L630 PolarHBondContact N-O 3.16Å; F593-L630 PolarHBondContact O-N 3.34Å; F593-I632 HydrophobicContact CD2-CD1 3.94Å; F593-I632 HydrophobicContact CE2-CD1 3.98Å; F593-L644 HydrophobicContact CE2-CB 4Å; F593-L644 HydrophobicContact CZ-CB 4.39Å; F593-M645 HydrophobicContact CD1-CG 4.17Å; F593-M645 HydrophobicContact CE1-CG 3.3Å; F593-M645 HydrophobicContact CE1-SD 3.94Å; F593-M645 HydrophobicContact CZ-CG 3.57Å; F593-I648 HydrophobicContact CD2-CD1 3.85Å; F593-I648 HydrophobicContact CE2-CD1 4.28Å; F593-I648 HydrophobicContact CG-CD1 4.32Å; F593-P655 HydrophobicContact CB-CB 4.26Å; F593-P655 HydrophobicContact CD1-CB 3.96Å; F593-P655 HydrophobicContact CG-CB 4.17Å; F593-V656 CarbonylContact C-O 3.53Å; F593-V656 VanDerWaalsContact CA-O 3.29Å; F593-V656 WeakPolarHBondContact CA-O 3.44Å; F593-L657 HydrophobicContact CD1-CB 4.45Å; F593-L657 HydrophobicContact CD1-CD1 3.91Å; F593-L657 HydrophobicContact CE1-CB 4.47Å; F593-L657 HydrophobicContact CE1-CD1 3.53Å; F593-L657 HydrophobicContact CZ-CD1 4.16Å; F593-C658 VanDerWaalsContact C-SG 3.56Å |
| 594 | T | 80.8 | Confident | 63 | Low | 42 Ų | 42 | 67.8 Ų | 67.8 | 26% | 0.258 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 116 | 161.4 | -42.1 | 0 | 0 | 0 | 0 | 106.1 | V656 C658 | T594-V656 PolarHBondContact N-O 3.17Å; T594-V656 PolarHBondContact O-N 3.41Å; T594-C658 PolarHBondContact N-SG 2.97Å; T594-C658 PolarHBondContact OG1-SG 3.45Å |
| 595 | I | 81.1 | Confident | 65 | Low | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.4 | 174.7 | 24.9 | 178.4 | 0 | 0 | 0 | 109.8 | F593 L598 I608 L623 K628 L630 I648 Y653 | F593-I595 PolarHBondContact O-N 3.11Å; I595-L598 HydrophobicContact CB-CD1 3.94Å; I595-L598 HydrophobicContact CD1-CD1 4.09Å; I595-L598 HydrophobicContact CG1-CD1 3.71Å; I595-L598 HydrophobicContact CG2-CD1 3.59Å; I595-L598 HydrophobicContact CG2-CG 4.31Å; I595-L598 WeakPolarHBondContact O-CD1 3.44Å; I595-I608 HydrophobicContact CD1-CD1 4.46Å; I595-L623 HydrophobicContact CD1-CD1 4.25Å; I595-L623 HydrophobicContact CG1-CD1 4.43Å; I595-K628 PolarHBondContact N-O 3.21Å; I595-K628 VanDerWaalsContact N-O 3.12Å; I595-L630 HydrophobicContact CD1-CB 3.94Å; I595-L630 HydrophobicContact CD1-CD2 3.85Å; I595-L630 HydrophobicContact CD1-CG 4.47Å; I595-L630 HydrophobicContact CG1-CB 4.2Å; I595-I648 HydrophobicContact CD1-CG2 4.36Å; I595-I648 HydrophobicContact CG2-CG2 4.49Å; I595-Y653 HydrophobicContact CG2-CD1 4.32Å; I595-Y653 HydrophobicContact CG2-CG 4.15Å |
| 596 | H | 68.9 | Low | 66.9 | Low | 94 Ų | 94 | 62.6 Ų | 62.6 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 152 | -178.5 | -73.7 | -107.3 | 0 | 0 | 0 | 109.7 | L598 Q654 | H596-L598 VanDerWaalsContact C-N 3.35Å; H596-L598 PolarHBondContact O-N 3.26Å; H596-Q654 PolarHBondContact N-O 2.71Å |
| 597 | E | 67.6 | Low | 68.8 | Low | 175 Ų | 175 | 63 Ų | 63 | 82% | 0.818 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 26.4 | 175.1 | -52.7 | -166.9 | 157.7 | 0 | 0 | 117.4 | P599 | E597-P599 WeakPolarHBondContact O-CD 3.48Š|
| 598 | L | 64.4 | Low | 70.3 | Confident | 16 Ų | 16 | 60.5 Ų | 60.5 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | trans | -57 | 125.1 | 165.3 | -87.7 | 115 | 0 | 0 | 0 | 111.6 | I595 H596 Y605 I608 L623 Y653 | I595-L598 HydrophobicContact CB-CD1 3.94Å; I595-L598 HydrophobicContact CD1-CD1 4.09Å; I595-L598 HydrophobicContact CG1-CD1 3.71Å; I595-L598 HydrophobicContact CG2-CD1 3.59Å; I595-L598 HydrophobicContact CG2-CG 4.31Å; I595-L598 WeakPolarHBondContact O-CD1 3.44Å; H596-L598 VanDerWaalsContact C-N 3.35Å; H596-L598 PolarHBondContact O-N 3.26Å; L598-Y605 HydrophobicContact CD2-CD1 3.48Å; L598-Y605 VanDerWaalsContact CD2-CD1 3.48Å; L598-Y605 HydrophobicContact CD2-CE1 3.49Å; L598-Y605 VanDerWaalsContact CD2-CE1 3.49Å; L598-I608 HydrophobicContact CD2-CD1 3.76Å; L598-L623 HydrophobicContact CD2-CD2 3.93Å; L598-Y653 HydrophobicContact CG-CD1 4.46Å; L598-Y653 HydrophobicContact CG-CE1 4.41Å | ||
| 599 | P | 55.9 | Low | 71.6 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | trans | -65 | 162.4 | 167.8 | -21.4 | 35.3 | 0 | 0 | 0 | 112.2 | E597 N601 Q604 Y605 | E597-P599 WeakPolarHBondContact O-CD 3.48Å; P599-N601 PolarHBondContact O-N 3.05Å; P599-N601 VanDerWaalsContact O-N 3.16Å; P599-Q604 VanDerWaalsContact CD-OE1 3.31Å; P599-Y605 PolarHBondContact O-OH 3.26Å | ||
| 600 | T | 59.9 | Low | 72.6 | Confident | 137 Ų | 137 | 61.4 Ų | 61.4 | 84% | 0.84 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -77.1 | 7.2 | -173.4 | 46.2 | 0 | 0 | 0 | 0 | 115.1 | Y605 | T600-Y605 VanDerWaalsContact C-OH 3.28Å; T600-Y605 WeakPolarHBondContact CA-OH 3.33Å |
| 601 | N | 66.1 | Low | 73.4 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | trans | -99.8 | 119 | -162.8 | -134.7 | -19.6 | 0 | 0 | 0 | 112.1 | P599 S603 Q604 | P599-N601 PolarHBondContact O-N 3.05Å; P599-N601 VanDerWaalsContact O-N 3.16Å; N601-S603 VanDerWaalsContact C-N 3.25Å; N601-S603 PolarHBondContact O-N 2.79Å; N601-Q604 PolarHBondContact O-N 3.35Å; N601-Q604 VanDerWaalsContact O-N 3.13Å | ||
| 602 | P | 64.8 | Low | 73.9 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.4 | -23.3 | -166.6 | 20.6 | -32.7 | 0 | 0 | 0 | 116 | Q604 Y605 | P602-Q604 VanDerWaalsContact C-N 3.32Å; P602-Q604 PolarHBondContact O-N 3.29Å; P602-Y605 HydrophobicContact CB-CD2 4.37Å; P602-Y605 HydrophobicContact CB-CE2 4.38Å |
| 603 | S | 68.6 | Low | 74.2 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 48% | 0.476 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.7 | -27.7 | 177.9 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | N601 T606 T607 | N601-S603 VanDerWaalsContact C-N 3.25Å; N601-S603 PolarHBondContact O-N 2.79Å; S603-T606 PolarHBondContact O-OG1 3.19Å; S603-T607 PolarHBondContact O-N 3.02Å; S603-T607 PolarHBondContact O-OG1 3.49Å |
| 604 | Q | 67.6 | Low | 74.3 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74 | -34.4 | -178.8 | -73.5 | -176.9 | -17.8 | 0 | 0 | 112.1 | P599 N601 P602 T606 T607 I608 Y653 | P599-Q604 VanDerWaalsContact CD-OE1 3.31Å; N601-Q604 PolarHBondContact O-N 3.35Å; N601-Q604 VanDerWaalsContact O-N 3.13Å; P602-Q604 VanDerWaalsContact C-N 3.32Å; P602-Q604 PolarHBondContact O-N 3.29Å; Q604-T606 PolarHBondContact O-N 2.84Å; Q604-T607 WeakPolarHBondContact O-CA 3.46Å; Q604-T607 WeakPolarHBondContact O-CB 3.01Å; Q604-T607 PolarHBondContact O-N 3.23Å; Q604-I608 PolarHBondContact O-N 2.86Å; Q604-Y653 PolarHBondContact OE1-OH 2.65Å |
| 605 | Y | 72.2 | Confident | 74.4 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 18% | 0.176 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 174.6 | -46.9 | -40.6 | 0 | 0 | 0 | 111.1 | L598 P599 T600 P602 T607 I608 E609 L623 L625 | L598-Y605 HydrophobicContact CD2-CD1 3.48Å; L598-Y605 VanDerWaalsContact CD2-CD1 3.48Å; L598-Y605 HydrophobicContact CD2-CE1 3.49Å; L598-Y605 VanDerWaalsContact CD2-CE1 3.49Å; P599-Y605 PolarHBondContact O-OH 3.26Å; T600-Y605 VanDerWaalsContact C-OH 3.28Å; T600-Y605 WeakPolarHBondContact CA-OH 3.33Å; P602-Y605 HydrophobicContact CB-CD2 4.37Å; P602-Y605 HydrophobicContact CB-CE2 4.38Å; Y605-T607 PolarHBondContact O-N 3.02Å; Y605-I608 PolarHBondContact O-N 2.86Å; Y605-E609 PolarHBondContact O-N 3.32Å; Y605-L623 HydrophobicContact CD1-CD2 3.58Å; Y605-L623 HydrophobicContact CE1-CD2 4.47Å; Y605-L623 HydrophobicContact CG-CD2 3.98Å; Y605-L625 HydrophobicContact CD1-CD2 3.96Å; Y605-L625 HydrophobicContact CD2-CD2 3.32Å; Y605-L625 HydrophobicContact CE1-CD2 4.15Å; Y605-L625 HydrophobicContact CE2-CD2 3.51Å; Y605-L625 HydrophobicContact CG-CD2 3.58Å |
| 606 | T | 74.3 | Confident | 74.5 | Confident | 81 Ų | 81 | 74.6 Ų | 74.6 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64.8 | -23.1 | 174.9 | 45.1 | 0 | 0 | 0 | 0 | 113.4 | S603 Q604 S610 | S603-T606 PolarHBondContact O-OG1 3.19Å; Q604-T606 PolarHBondContact O-N 2.84Å; T606-S610 WeakPolarHBondContact O-CB 3.48Å; T606-S610 PolarHBondContact O-N 3.22Å; T606-S610 PolarHBondContact O-OG 2.67Å |
| 607 | T | 80.3 | Confident | 75 | Confident | 70 Ų | 70 | 70.4 Ų | 70.4 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.4 | -43.8 | 174.5 | -55.2 | 0 | 0 | 0 | 0 | 111 | S603 Q604 Y605 T611 | S603-T607 PolarHBondContact O-N 3.02Å; S603-T607 PolarHBondContact O-OG1 3.49Å; Q604-T607 WeakPolarHBondContact O-CA 3.46Å; Q604-T607 WeakPolarHBondContact O-CB 3.01Å; Q604-T607 PolarHBondContact O-N 3.23Å; Y605-T607 PolarHBondContact O-N 3.02Å; T607-T611 VanDerWaalsContact O-CB 3.29Å; T607-T611 WeakPolarHBondContact O-CB 3.37Å; T607-T611 PolarHBondContact O-N 3.4Å; T607-T611 PolarHBondContact O-OG1 3.25Å |
| 608 | I | 82.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.1 | -53.9 | 175.4 | -63.3 | 165.1 | 0 | 0 | 0 | 109.9 | I595 L598 Q604 Y605 S610 T611 L612 L630 Y653 | I595-I608 HydrophobicContact CD1-CD1 4.46Å; L598-I608 HydrophobicContact CD2-CD1 3.76Å; Q604-I608 PolarHBondContact O-N 2.86Å; Y605-I608 PolarHBondContact O-N 2.86Å; I608-S610 PolarHBondContact O-N 3.32Å; I608-T611 PolarHBondContact O-N 3.43Å; I608-L612 HydrophobicContact CG2-CD1 3.86Å; I608-L612 WeakPolarHBondContact O-CG 3.15Å; I608-L612 PolarHBondContact O-N 2.66Å; I608-L630 HydrophobicContact CG2-CD1 4.45Å; I608-L630 HydrophobicContact CG2-CD2 4.2Å; I608-Y653 HydrophobicContact CD1-CD2 4.1Å; I608-Y653 HydrophobicContact CD1-CE1 4.46Å; I608-Y653 HydrophobicContact CD1-CE2 3.71Å; I608-Y653 HydrophobicContact CG1-CD2 4.29Å; I608-Y653 HydrophobicContact CG1-CE2 3.79Å |
| 609 | E | 84.5 | Confident | 76.5 | Confident | 54 Ų | 54 | 68.8 Ų | 68.8 | 25% | 0.252 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 179.2 | -69.6 | -173.4 | 155.1 | 0 | 0 | 112 | Y605 T611 L612 N613 T622 L623 | Y605-E609 PolarHBondContact O-N 3.32Å; E609-T611 VanDerWaalsContact C-N 3.25Å; E609-T611 PolarHBondContact O-N 2.99Å; E609-L612 PolarHBondContact O-N 3.25Å; E609-N613 WeakPolarHBondContact O-CB 3.34Å; E609-N613 PolarHBondContact O-N 2.93Å; E609-N613 PolarHBondContact O-ND2 3.02Å; E609-T622 WeakPolarHBondContact OE1-CA 3.37Å; E609-L623 HydrophobicContact CG-CB 4.4Å; E609-L623 PolarHBondContact OE1-N 3.35Å |
| 610 | S | 83.9 | Confident | 77.7 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 36% | 0.357 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -76.2 | -7.1 | -178.3 | 74.1 | 0 | 0 | 0 | 0 | 114.7 | T606 I608 K614 | T606-S610 WeakPolarHBondContact O-CB 3.48Å; T606-S610 PolarHBondContact O-N 3.22Å; T606-S610 PolarHBondContact O-OG 2.67Å; I608-S610 PolarHBondContact O-N 3.32Å; S610-K614 WeakPolarHBondContact O-CD 3.42Å; S610-K614 WeakPolarHBondContact O-CE 3.28Å; S610-K614 VanDerWaalsContact O-CG 3.24Å; S610-K614 WeakPolarHBondContact O-CG 3.49Å; S610-K614 PolarHBondContact O-NZ 3.05Å |
| 611 | T | 83.7 | Confident | 78.8 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -88.7 | -46.9 | 169 | -55.9 | 0 | 0 | 0 | 0 | 110 | T607 I608 E609 N613 K614 T615 L651 | T607-T611 VanDerWaalsContact O-CB 3.29Å; T607-T611 WeakPolarHBondContact O-CB 3.37Å; T607-T611 PolarHBondContact O-N 3.4Å; T607-T611 PolarHBondContact O-OG1 3.25Å; I608-T611 PolarHBondContact O-N 3.43Å; E609-T611 VanDerWaalsContact C-N 3.25Å; E609-T611 PolarHBondContact O-N 2.99Å; T611-N613 PolarHBondContact O-N 3.37Å; T611-K614 WeakPolarHBondContact O-CB 3.42Å; T611-K614 PolarHBondContact O-N 3.12Å; T611-T615 PolarHBondContact O-N 2.96Å; T611-L651 HydrophobicContact CG2-CD1 4.2Å; T611-L651 HydrophobicContact CG2-CD2 4.32Å |
| 612 | L | 84.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 177.2 | -66.6 | 169.1 | 0 | 0 | 0 | 112.4 | I608 E609 K614 T615 V618 A621 L630 I632 Q647 I648 | I608-L612 HydrophobicContact CG2-CD1 3.86Å; I608-L612 WeakPolarHBondContact O-CG 3.15Å; I608-L612 PolarHBondContact O-N 2.66Å; E609-L612 PolarHBondContact O-N 3.25Å; L612-K614 PolarHBondContact O-N 2.96Å; L612-K614 VanDerWaalsContact O-N 3.14Å; L612-T615 PolarHBondContact O-N 2.81Å; L612-T615 VanDerWaalsContact O-N 3.16Å; L612-T615 PolarHBondContact O-OG1 2.8Å; L612-T615 VanDerWaalsContact O-OG1 3.07Å; L612-V618 VanDerWaalsContact O-CB 3.31Å; L612-V618 WeakPolarHBondContact O-CB 3.38Å; L612-V618 WeakPolarHBondContact O-CG1 3.42Å; L612-A621 HydrophobicContact CB-CB 3.56Å; L612-A621 HydrophobicContact CD1-CB 4.02Å; L612-A621 HydrophobicContact CG-CB 4.48Å; L612-L630 HydrophobicContact CD1-CD1 4.49Å; L612-L630 HydrophobicContact CD1-CD2 3.57Å; L612-I632 HydrophobicContact CD1-CD1 4.02Å; L612-Q647 HydrophobicContact CD2-CB 4.17Å; L612-I648 HydrophobicContact CD1-CG1 4.28Å; L612-I648 HydrophobicContact CD2-CG1 4.46Å |
| 613 | N | 84.8 | Confident | 80.2 | Confident | 75 Ų | 75 | 56 Ų | 56 | 40% | 0.401 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -3.5 | 171.7 | -70.3 | -36.5 | 0 | 0 | 0 | 113.8 | E609 T611 S620 A621 | E609-N613 WeakPolarHBondContact O-CB 3.34Å; E609-N613 PolarHBondContact O-N 2.93Å; E609-N613 PolarHBondContact O-ND2 3.02Å; T611-N613 PolarHBondContact O-N 3.37Å; N613-S620 VanDerWaalsContact OD1-CA 3.27Å; N613-S620 WeakPolarHBondContact OD1-CA 3.21Å; N613-A621 PolarHBondContact ND2-O 2.88Å; N613-A621 PolarHBondContact OD1-N 2.87Å |
| 614 | K | 84.7 | Confident | 80.3 | Confident | 159 Ų | 159 | 55.9 Ų | 55.9 | 69% | 0.691 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -14.4 | 171.1 | -68.9 | 169.9 | -168.1 | 139.3 | 0 | 113 | S610 T611 L612 | S610-K614 WeakPolarHBondContact O-CD 3.42Å; S610-K614 WeakPolarHBondContact O-CE 3.28Å; S610-K614 VanDerWaalsContact O-CG 3.24Å; S610-K614 WeakPolarHBondContact O-CG 3.49Å; S610-K614 PolarHBondContact O-NZ 3.05Å; T611-K614 WeakPolarHBondContact O-CB 3.42Å; T611-K614 PolarHBondContact O-N 3.12Å; L612-K614 PolarHBondContact O-N 2.96Å; L612-K614 VanDerWaalsContact O-N 3.14Å |
| 615 | T | 83 | Confident | 80.3 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 18% | 0.184 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -82.6 | 127.3 | -176.1 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | T611 L612 G617 V618 Q647 | T611-T615 PolarHBondContact O-N 2.96Å; L612-T615 PolarHBondContact O-N 2.81Å; L612-T615 VanDerWaalsContact O-N 3.16Å; L612-T615 PolarHBondContact O-OG1 2.8Å; L612-T615 VanDerWaalsContact O-OG1 3.07Å; T615-G617 PolarHBondContact O-N 3.03Å; T615-V618 WeakPolarHBondContact O-CB 3.41Å; T615-V618 PolarHBondContact O-N 3.19Å; T615-V618 VanDerWaalsContact O-N 3.09Å; T615-Q647 VanDerWaalsContact CB-OE1 3.28Å; T615-Q647 PolarHBondContact OG1-OE1 3.03Å |
| 616 | K | 82.5 | Confident | 79.9 | Confident | 158 Ų | 158 | 62.9 Ų | 62.9 | 69% | 0.687 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 137.1 | -172.6 | -163.9 | -170 | 173.6 | -134.1 | 0 | 110.4 | E638 | K616-E638 VanDerWaalsContact CE-OE1 3.25Å; K616-E638 WeakPolarHBondContact CE-OE1 3.38Å; K616-E638 IonicContact NZ-OE1 3.86Å; K616-E638 PolarHBondContact NZ-OE1 2.73Å; K616-E638 IonicContact NZ-OE2 3.29Å |
| 617 | G | 78.8 | Confident | 79.6 | Confident | 6 Ų | 6 | 63 Ų | 63 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -21.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T615 Y634 T635 E638 | T615-G617 PolarHBondContact O-N 3.03Å; G617-Y634 CarbonylContact O-C 3.52Å; G617-Y634 VanDerWaalsContact O-CA 3.31Å; G617-Y634 WeakPolarHBondContact O-CA 3.28Å; G617-T635 PolarHBondContact O-N 3.39Å; G617-T635 PolarHBondContact O-OG1 2.95Å; G617-E638 WeakPolarHBondContact CA-OE2 3.09Å; G617-E638 PolarHBondContact N-OE2 2.82Å |
| 618 | V | 83.4 | Confident | 79.3 | Confident | 17 Ų | 17 | 64.5 Ų | 64.5 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 132.3 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | L612 T615 I632 I639 L644 | L612-V618 VanDerWaalsContact O-CB 3.31Å; L612-V618 WeakPolarHBondContact O-CB 3.38Å; L612-V618 WeakPolarHBondContact O-CG1 3.42Å; T615-V618 WeakPolarHBondContact O-CB 3.41Å; T615-V618 PolarHBondContact O-N 3.19Å; T615-V618 VanDerWaalsContact O-N 3.09Å; V618-I632 HydrophobicContact CG1-CG2 3.67Å; V618-I632 HydrophobicContact CG2-CG2 4.12Å; V618-I639 HydrophobicContact CG2-CG2 4.42Å; V618-L644 HydrophobicContact CG2-CD2 3.55Å |
| 619 | Y | 81.4 | Confident | 78.9 | Confident | 140 Ų | 140 | 65.2 Ų | 65.2 | 55% | 0.549 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | -38.2 | 177 | -93.6 | -93 | 0 | 0 | 0 | 113.1 | R588 V633 | R588-Y619 VanDerWaalsContact NE-CE2 3.25Å; R588-Y619 VanDerWaalsContact NH2-CZ 3.26Å; R588-Y619 PolarHBondContact NH2-OH 2.99Å; Y619-V633 PolarHBondContact N-O 3.06Å |
| 620 | S | 80.5 | Confident | 78.8 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 124.7 | 171.3 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | N613 I632 V633 | N613-S620 VanDerWaalsContact OD1-CA 3.27Å; N613-S620 WeakPolarHBondContact OD1-CA 3.21Å; S620-I632 WeakPolarHBondContact O-CA 3.34Å; S620-V633 PolarHBondContact N-O 3.23Å; S620-V633 PolarHBondContact O-N 3.39Å; S620-V633 WeakPolarHBondContact OG-CG2 3.46Å |
| 621 | A | 83.1 | Confident | 78.7 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 128.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L612 N613 L630 R631 I632 | L612-A621 HydrophobicContact CB-CB 3.56Å; L612-A621 HydrophobicContact CD1-CB 4.02Å; L612-A621 HydrophobicContact CG-CB 4.48Å; N613-A621 PolarHBondContact ND2-O 2.88Å; N613-A621 PolarHBondContact OD1-N 2.87Å; A621-L630 HydrophobicContact CB-CD1 4.38Å; A621-R631 CarbonylContact C-O 3.58Å; A621-R631 WeakPolarHBondContact CA-O 3.09Å; A621-I632 HydrophobicContact CB-CG1 4.38Å |
| 622 | T | 79.5 | Confident | 78.8 | Confident | 46 Ų | 46 | 63 Ų | 63 | 28% | 0.282 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 121.9 | 178.3 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | E609 R631 | E609-T622 WeakPolarHBondContact OE1-CA 3.37Å; T622-R631 PolarHBondContact N-O 3.07Å; T622-R631 PolarHBondContact O-N 2.9Å; T622-R631 PolarHBondContact OG1-NE 3.46Å; T622-R631 PolarHBondContact OG1-NH2 2.83Å |
| 623 | L | 79.6 | Confident | 78.6 | Confident | 20 Ų | 20 | 64.6 Ų | 64.6 | 11% | 0.105 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.7 | -179.6 | -176.1 | 71.9 | 0 | 0 | 0 | 111.3 | I595 L598 Y605 E609 L625 L630 | I595-L623 HydrophobicContact CD1-CD1 4.25Å; I595-L623 HydrophobicContact CG1-CD1 4.43Å; L598-L623 HydrophobicContact CD2-CD2 3.93Å; Y605-L623 HydrophobicContact CD1-CD2 3.58Å; Y605-L623 HydrophobicContact CE1-CD2 4.47Å; Y605-L623 HydrophobicContact CG-CD2 3.98Å; E609-L623 HydrophobicContact CG-CB 4.4Å; E609-L623 PolarHBondContact OE1-N 3.35Å; L623-L625 HydrophobicContact CD2-CD2 4.15Å; L623-L630 HydrophobicContact CB-CD1 4Å; L623-L630 HydrophobicContact CD1-CB 3.8Å; L623-L630 HydrophobicContact CD1-CD1 4.16Å |
| 624 | D | 71.3 | Confident | 78.5 | Confident | 65 Ų | 65 | 62 Ų | 62 | 35% | 0.348 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 113.6 | 166.6 | 174.2 | 20.7 | 0 | 0 | 0 | 110.6 | N626 T627 K628 C629 | D624-N626 VanDerWaalsContact C-N 3.26Å; D624-N626 PolarHBondContact O-N 2.89Å; D624-N626 PolarHBondContact OD1-N 2.74Å; D624-T627 WeakPolarHBondContact CB-OG1 3.19Å; D624-T627 VanDerWaalsContact CG-OG1 3.24Å; D624-T627 PolarHBondContact O-N 3.14Å; D624-T627 WeakPolarHBondContact OD2-CB 3.31Å; D624-T627 WeakPolarHBondContact OD2-CG2 3.47Å; D624-T627 PolarHBondContact OD2-N 3.03Å; D624-T627 PolarHBondContact OD2-OG1 3.25Å; D624-K628 WeakPolarHBondContact O-CA 3.42Å; D624-K628 PolarHBondContact O-N 2.66Å; D624-C629 PolarHBondContact N-O 3.26Å; D624-C629 VanDerWaalsContact N-O 3.11Å |
| 625 | L | 68 | Low | 78.2 | Confident | 102 Ų | 102 | 55.6 Ų | 55.6 | 53% | 0.534 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -28.5 | -179.5 | -59.9 | 176.1 | 0 | 0 | 0 | 113.2 | Y605 L623 | Y605-L625 HydrophobicContact CD1-CD2 3.96Å; Y605-L625 HydrophobicContact CD2-CD2 3.32Å; Y605-L625 HydrophobicContact CE1-CD2 4.15Å; Y605-L625 HydrophobicContact CE2-CD2 3.51Å; Y605-L625 HydrophobicContact CG-CD2 3.58Å; L623-L625 HydrophobicContact CD2-CD2 4.15Å |
| 626 | N | 64.3 | Low | 77.4 | Confident | 155 Ų | 155 | 57.4 Ų | 57.4 | 83% | 0.829 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -38.3 | -177.2 | -66.6 | -42.8 | 0 | 0 | 0 | 112.2 | D624 | D624-N626 VanDerWaalsContact C-N 3.26Å; D624-N626 PolarHBondContact O-N 2.89Å; D624-N626 PolarHBondContact OD1-N 2.74Å |
| 627 | T | 67.4 | Low | 76.7 | Confident | 83 Ų | 83 | 55 Ų | 55 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -10.6 | -179.6 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | D624 C629 | D624-T627 WeakPolarHBondContact CB-OG1 3.19Å; D624-T627 VanDerWaalsContact CG-OG1 3.24Å; D624-T627 PolarHBondContact O-N 3.14Å; D624-T627 WeakPolarHBondContact OD2-CB 3.31Å; D624-T627 WeakPolarHBondContact OD2-CG2 3.47Å; D624-T627 PolarHBondContact OD2-N 3.03Å; D624-T627 PolarHBondContact OD2-OG1 3.25Å; T627-C629 PolarHBondContact O-N 3.02Å; T627-C629 VanDerWaalsContact O-N 3.14Å; T627-C629 PolarHBondContact OG1-N 3.35Å |
| 628 | K | 74.1 | Confident | 76.6 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 20.5 | -168.4 | -55.4 | -170.6 | 179.2 | -168.4 | 0 | 113.6 | I595 D624 | I595-K628 PolarHBondContact N-O 3.21Å; I595-K628 VanDerWaalsContact N-O 3.12Å; D624-K628 WeakPolarHBondContact O-CA 3.42Å; D624-K628 PolarHBondContact O-N 2.66Å |
| 629 | C | 73.7 | Confident | 76.3 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 119.4 | -179.9 | -166.2 | 0 | 0 | 0 | 0 | 109.6 | F593 D624 T627 C658 | F593-C629 CarbonylContact O-C 3.51Å; F593-C629 WeakPolarHBondContact O-CA 3.43Å; D624-C629 PolarHBondContact N-O 3.26Å; D624-C629 VanDerWaalsContact N-O 3.11Å; T627-C629 PolarHBondContact O-N 3.02Å; T627-C629 VanDerWaalsContact O-N 3.14Å; T627-C629 PolarHBondContact OG1-N 3.35Å; C629-C658 WeakPolarHBondContact CB-SG 3.2Å; C629-C658 WeakPolarHBondContact SG-CB 3.37Å; C629-C658 CovalentContact SG-SG 2.06Å; C629-C658 PolarHBondContact SG-SG 2.99Å |
| 630 | L | 83.2 | Confident | 75.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.6 | 176.2 | 176.5 | 70 | 0 | 0 | 0 | 109.4 | H592 F593 I595 I608 L612 A621 L623 I632 I648 | H592-L630 CarbonylContact C-O 3.24Å; H592-L630 VanDerWaalsContact CA-O 3.31Å; H592-L630 WeakPolarHBondContact CA-O 3.24Å; F593-L630 PolarHBondContact N-O 3.16Å; F593-L630 PolarHBondContact O-N 3.34Å; I595-L630 HydrophobicContact CD1-CB 3.94Å; I595-L630 HydrophobicContact CD1-CD2 3.85Å; I595-L630 HydrophobicContact CD1-CG 4.47Å; I595-L630 HydrophobicContact CG1-CB 4.2Å; I608-L630 HydrophobicContact CG2-CD1 4.45Å; I608-L630 HydrophobicContact CG2-CD2 4.2Å; L612-L630 HydrophobicContact CD1-CD1 4.49Å; L612-L630 HydrophobicContact CD1-CD2 3.57Å; A621-L630 HydrophobicContact CB-CD1 4.38Å; L623-L630 HydrophobicContact CB-CD1 4Å; L623-L630 HydrophobicContact CD1-CB 3.8Å; L623-L630 HydrophobicContact CD1-CD1 4.16Å; L630-I632 HydrophobicContact CD2-CD1 3.96Å; L630-I632 HydrophobicContact CD2-CG1 4.12Å; L630-I632 HydrophobicContact CG-CD1 4.39Å; L630-I632 HydrophobicContact CG-CG1 4.01Å; L630-I648 HydrophobicContact CD2-CD1 3.73Å; L630-I648 HydrophobicContact CD2-CG1 4.37Å |
| 631 | R | 81.6 | Confident | 75.7 | Confident | 105 Ų | 105 | 51.6 Ų | 51.6 | 40% | 0.396 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130.4 | 171 | 179.8 | -174.4 | 57.4 | -165 | -9.6 | 109.9 | I591 A621 T622 | I591-R631 CarbonylContact O-C 3.47Å; I591-R631 WeakPolarHBondContact O-CA 3.21Å; A621-R631 CarbonylContact C-O 3.58Å; A621-R631 WeakPolarHBondContact CA-O 3.09Å; T622-R631 PolarHBondContact N-O 3.07Å; T622-R631 PolarHBondContact O-N 2.9Å; T622-R631 PolarHBondContact OG1-NE 3.46Å; T622-R631 PolarHBondContact OG1-NH2 2.83Å |
| 632 | I | 84.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125.3 | 176.4 | -47.9 | -179.5 | 0 | 0 | 0 | 109.1 | T590 I591 F593 L612 V618 S620 A621 L630 L644 I648 | T590-I632 WeakPolarHBondContact CA-O 3.25Å; I591-I632 HydrophobicContact CG2-CB 4.37Å; I591-I632 PolarHBondContact N-O 3.4Å; I591-I632 PolarHBondContact O-N 3.28Å; F593-I632 HydrophobicContact CD2-CD1 3.94Å; F593-I632 HydrophobicContact CE2-CD1 3.98Å; L612-I632 HydrophobicContact CD1-CD1 4.02Å; V618-I632 HydrophobicContact CG1-CG2 3.67Å; V618-I632 HydrophobicContact CG2-CG2 4.12Å; S620-I632 WeakPolarHBondContact O-CA 3.34Å; A621-I632 HydrophobicContact CB-CG1 4.38Å; L630-I632 HydrophobicContact CD2-CD1 3.96Å; L630-I632 HydrophobicContact CD2-CG1 4.12Å; L630-I632 HydrophobicContact CG-CD1 4.39Å; L630-I632 HydrophobicContact CG-CG1 4.01Å; I632-L644 HydrophobicContact CD1-CB 4.27Å; I632-L644 HydrophobicContact CD1-CD1 4.26Å; I632-L644 HydrophobicContact CD1-CD2 4.45Å; I632-L644 HydrophobicContact CG2-CD1 4.17Å; I632-L644 HydrophobicContact CG2-CD2 4.43Å; I632-I648 HydrophobicContact CD1-CD1 4.36Å |
| 633 | V | 81 | Confident | 75.7 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121 | 167.2 | -173.4 | 0 | 0 | 0 | 0 | 107.2 | T590 Y619 S620 | T590-V633 HydrophobicContact CG2-CG2 4.15Å; Y619-V633 PolarHBondContact N-O 3.06Å; S620-V633 PolarHBondContact N-O 3.23Å; S620-V633 PolarHBondContact O-N 3.39Å; S620-V633 WeakPolarHBondContact OG-CG2 3.46Å |
| 634 | Y | 82.9 | Confident | 76 | Confident | 21 Ų | 21 | 52.5 Ų | 52.5 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 169 | -172.1 | 74.6 | -74.5 | 0 | 0 | 0 | 112.1 | R588 G589 I591 G617 P636 I639 L644 | R588-Y634 CarbonylContact C-O 3.59Å; R588-Y634 WeakPolarHBondContact CA-O 3.47Å; R588-Y634 WeakPolarHBondContact CB-O 3.31Å; G589-Y634 PolarHBondContact N-O 3.3Å; G589-Y634 WeakPolarHBondContact O-CD1 3.41Å; G589-Y634 PolarHBondContact O-N 3.45Å; I591-Y634 HydrophobicContact CB-CD1 4.45Å; I591-Y634 HydrophobicContact CB-CE1 3.88Å; I591-Y634 HydrophobicContact CD1-CE1 4.42Å; I591-Y634 HydrophobicContact CG1-CE1 4.41Å; G617-Y634 CarbonylContact O-C 3.52Å; G617-Y634 VanDerWaalsContact O-CA 3.31Å; G617-Y634 WeakPolarHBondContact O-CA 3.28Å; Y634-P636 HydrophobicContact CE2-CB 3.87Å; Y634-P636 HydrophobicContact CE2-CG 4.48Å; Y634-P636 WeakPolarHBondContact O-CD 3.49Å; Y634-I639 HydrophobicContact CD2-CG2 4.02Å; Y634-I639 WeakPolarHBondContact CD2-O 3.4Å; Y634-I639 VanDerWaalsContact CE2-O 3.31Å; Y634-I639 WeakPolarHBondContact CE2-O 3.42Å; Y634-L644 HydrophobicContact CD1-CD1 4.08Å; Y634-L644 HydrophobicContact CD2-CD1 4.17Å; Y634-L644 HydrophobicContact CG-CD1 3.89Å |
| 635 | T | 77.5 | Confident | 76.6 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | trans | -105.4 | 102.2 | 178.7 | -47.1 | 0 | 0 | 0 | 0 | 108.4 | G587 G617 S637 E638 I639 | G587-T635 WeakPolarHBondContact O-CG2 3.31Å; G617-T635 PolarHBondContact O-N 3.39Å; G617-T635 PolarHBondContact O-OG1 2.95Å; T635-S637 PolarHBondContact O-N 2.84Å; T635-E638 HydrophobicContact CG2-CG 4.38Å; T635-E638 PolarHBondContact O-N 2.98Å; T635-I639 PolarHBondContact O-N 3.31Å; T635-I639 VanDerWaalsContact O-N 3.1Å | ||
| 636 | P | 67.6 | Low | 77.4 | Confident | 69 Ų | 69 | 50.6 Ų | 50.6 | 45% | 0.448 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -15.9 | -178.9 | 19.3 | -32.2 | 0 | 0 | 0 | 114.8 | G587 Y634 | G587-P636 WeakPolarHBondContact O-CD 3.11Å; Y634-P636 HydrophobicContact CE2-CB 3.87Å; Y634-P636 HydrophobicContact CE2-CG 4.48Å; Y634-P636 WeakPolarHBondContact O-CD 3.49Å |
| 637 | S | 67.1 | Low | 78.4 | Confident | 108 Ų | 108 | 45.6 Ų | 45.6 | 76% | 0.755 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -17.1 | 171 | -42 | 0 | 0 | 0 | 0 | 114.7 | T635 | T635-S637 PolarHBondContact O-N 2.84Š|
| 638 | E | 76.2 | Confident | 79.2 | Confident | 102 Ų | 102 | 41.7 Ų | 41.7 | 48% | 0.477 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -33 | -179.8 | -67.9 | -151.2 | 136.1 | 0 | 0 | 113.9 | K616 G617 T635 | K616-E638 VanDerWaalsContact CE-OE1 3.25Å; K616-E638 WeakPolarHBondContact CE-OE1 3.38Å; K616-E638 IonicContact NZ-OE1 3.86Å; K616-E638 PolarHBondContact NZ-OE1 2.73Å; K616-E638 IonicContact NZ-OE2 3.29Å; G617-E638 WeakPolarHBondContact CA-OE2 3.09Å; G617-E638 PolarHBondContact N-OE2 2.82Å; T635-E638 HydrophobicContact CG2-CG 4.38Å; T635-E638 PolarHBondContact O-N 2.98Å |
| 639 | I | 78.3 | Confident | 79.7 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.082 | 21% | 0.213 | C | C | . | . | trans | -149.2 | 141.3 | -177.1 | -166.5 | 166.4 | 0 | 0 | 0 | 110.6 | V618 Y634 T635 D643 L644 | V618-I639 HydrophobicContact CG2-CG2 4.42Å; Y634-I639 HydrophobicContact CD2-CG2 4.02Å; Y634-I639 WeakPolarHBondContact CD2-O 3.4Å; Y634-I639 VanDerWaalsContact CE2-O 3.31Å; Y634-I639 WeakPolarHBondContact CE2-O 3.42Å; T635-I639 PolarHBondContact O-N 3.31Å; T635-I639 VanDerWaalsContact O-N 3.1Å; I639-D643 HydrophobicContact CD1-CB 4.49Å; I639-D643 HydrophobicContact CG1-CB 3.94Å; I639-L644 HydrophobicContact CD1-CD2 3.8Å; I639-L644 HydrophobicContact CG1-CD2 4.22Å; I639-L644 HydrophobicContact CG1-CG 4.48Å; I639-L644 HydrophobicContact CG2-CD2 4.42Å | ||
| 640 | G | 71.9 | Confident | 80.3 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | trans | -108.3 | 160.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R642 D643 L644 H904 | G640-R642 PolarHBondContact O-N 2.9Å; G640-R642 VanDerWaalsContact O-N 3.09Å; G640-D643 PolarHBondContact N-OD2 2.85Å; G640-D643 PolarHBondContact O-N 3.28Å; G640-L644 PolarHBondContact O-N 2.82Å; G640-L644 VanDerWaalsContact O-N 3.11Å; G640-H904 WeakPolarHBondContact CA-NE2 3.45Å | ||
| 641 | P | 77.4 | Confident | 80.2 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 7% | 0.065 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -40.1 | -44.7 | 173.1 | -28.6 | 25.9 | 0 | 0 | 0 | 115.2 | I591 D643 L644 M645 L902 | I591-P641 HydrophobicContact CD1-CB 3.54Å; I591-P641 HydrophobicContact CD1-CG 3.59Å; P641-D643 VanDerWaalsContact C-N 3.33Å; P641-D643 PolarHBondContact O-N 3.32Å; P641-L644 PolarHBondContact O-N 3.18Å; P641-M645 PolarHBondContact O-N 3.12Å; P641-L902 HydrophobicContact CB-CD2 3.86Å |
| 642 | R | 80.3 | Confident | 80.1 | Confident | 33 Ų | 33 | 48.2 Ų | 48.2 | 13% | 0.125 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.3 | -27.5 | -176.8 | -156.4 | -175.1 | -54.2 | 142.9 | 13.3 | 113 | G640 K646 L902 H904 D907 | G640-R642 PolarHBondContact O-N 2.9Å; G640-R642 VanDerWaalsContact O-N 3.09Å; R642-K646 WeakPolarHBondContact O-CG 3.43Å; R642-K646 PolarHBondContact O-N 2.91Å; R642-L902 PolarHBondContact NE-O 3.1Å; R642-L902 PolarHBondContact NH2-O 3.38Å; R642-H904 WeakPolarHBondContact CB-NE2 3.23Å; R642-H904 PolarHBondContact N-NE2 3.26Å; R642-D907 IonicContact CZ-OD2 2.8Å; R642-D907 IonicContact NH1-OD1 3.82Å; R642-D907 PolarHBondContact NH1-OD1 3.34Å; R642-D907 IonicContact NH1-OD2 3.64Å; R642-D907 PolarHBondContact NH1-OD2 3.3Å; R642-D907 IonicContact NH2-OD2 3.65Å; R642-D907 PolarHBondContact NH2-OD2 2.75Å |
| 643 | D | 81.3 | Confident | 80 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 29% | 0.289 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -82.8 | -33.7 | 178.1 | -51.1 | -57 | 0 | 0 | 0 | 110.7 | I639 G640 P641 K646 Q647 H904 | I639-D643 HydrophobicContact CD1-CB 4.49Å; I639-D643 HydrophobicContact CG1-CB 3.94Å; G640-D643 PolarHBondContact N-OD2 2.85Å; G640-D643 PolarHBondContact O-N 3.28Å; P641-D643 VanDerWaalsContact C-N 3.33Å; P641-D643 PolarHBondContact O-N 3.32Å; D643-K646 PolarHBondContact O-N 2.93Å; D643-Q647 VanDerWaalsContact O-CG 3.32Å; D643-Q647 WeakPolarHBondContact O-CG 3Å; D643-Q647 PolarHBondContact O-N 3.16Å; D643-H904 PolarHBondContact N-NE2 2.79Å; D643-H904 IonicContact OD1-NE2 3.49Å; D643-H904 IonicContact OD2-CE1 2.68Å; D643-H904 IonicContact OD2-NE2 2.86Å; D643-H904 PolarHBondContact OD2-NE2 3.29Å |
| 644 | L | 85.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 167.9 | -60.7 | 174.5 | 0 | 0 | 0 | 111.2 | I591 F593 V618 I632 Y634 I639 G640 P641 Q647 I648 | I591-L644 HydrophobicContact CG2-CD1 4.43Å; F593-L644 HydrophobicContact CE2-CB 4Å; F593-L644 HydrophobicContact CZ-CB 4.39Å; V618-L644 HydrophobicContact CG2-CD2 3.55Å; I632-L644 HydrophobicContact CD1-CB 4.27Å; I632-L644 HydrophobicContact CD1-CD1 4.26Å; I632-L644 HydrophobicContact CD1-CD2 4.45Å; I632-L644 HydrophobicContact CG2-CD1 4.17Å; I632-L644 HydrophobicContact CG2-CD2 4.43Å; Y634-L644 HydrophobicContact CD1-CD1 4.08Å; Y634-L644 HydrophobicContact CD2-CD1 4.17Å; Y634-L644 HydrophobicContact CG-CD1 3.89Å; I639-L644 HydrophobicContact CD1-CD2 3.8Å; I639-L644 HydrophobicContact CG1-CD2 4.22Å; I639-L644 HydrophobicContact CG1-CG 4.48Å; I639-L644 HydrophobicContact CG2-CD2 4.42Å; G640-L644 PolarHBondContact O-N 2.82Å; G640-L644 VanDerWaalsContact O-N 3.11Å; P641-L644 PolarHBondContact O-N 3.18Å; L644-Q647 PolarHBondContact O-N 2.87Å; L644-I648 WeakPolarHBondContact O-CG1 3.19Å; L644-I648 PolarHBondContact O-N 3.44Å; L644-I648 VanDerWaalsContact O-N 3.14Å |
| 645 | M | 84.6 | Confident | 79.6 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 14% | 0.138 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -53.2 | 170.7 | -76.4 | -176.4 | 63.8 | 0 | 0 | 111.5 | F593 P641 Q647 I648 E649 P655 L902 | F593-M645 HydrophobicContact CD1-CG 4.17Å; F593-M645 HydrophobicContact CE1-CG 3.3Å; F593-M645 HydrophobicContact CE1-SD 3.94Å; F593-M645 HydrophobicContact CZ-CG 3.57Å; P641-M645 PolarHBondContact O-N 3.12Å; M645-Q647 PolarHBondContact O-N 3.21Å; M645-I648 PolarHBondContact O-N 2.63Å; M645-E649 WeakPolarHBondContact O-CG 3.13Å; M645-E649 PolarHBondContact O-N 3.39Å; M645-P655 HydrophobicContact CB-CG 3.97Å; M645-P655 HydrophobicContact CE-CG 4.18Å; M645-P655 WeakPolarHBondContact CE-O 3.38Å; M645-P655 HydrophobicContact CG-CB 4.34Å; M645-P655 HydrophobicContact CG-CG 3.94Å; M645-L902 HydrophobicContact CE-CD1 4.34Å; M645-L902 HydrophobicContact SD-CD1 3.48Å; M645-L902 WeakPolarHBondContact SD-CD1 3.41Å; M645-L902 HydrophobicContact SD-CD2 3.7Å; M645-L902 HydrophobicContact SD-CG 4.27Å |
| 646 | K | 83.9 | Confident | 79.7 | Confident | 99 Ų | 99 | 56.8 Ų | 56.8 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.7 | -35.1 | 177.3 | -76.4 | 173.1 | 179.7 | 177 | 0 | 112.9 | R642 D643 N650 | R642-K646 WeakPolarHBondContact O-CG 3.43Å; R642-K646 PolarHBondContact O-N 2.91Å; D643-K646 PolarHBondContact O-N 2.93Å; K646-N650 WeakPolarHBondContact O-CB 3.49Å; K646-N650 PolarHBondContact O-N 3.09Å; K646-N650 PolarHBondContact O-ND2 3Å |
| 647 | Q | 84.8 | Confident | 79.9 | Confident | 50 Ų | 50 | 55 Ų | 55 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.7 | -34.3 | 175.6 | -76 | 174 | 10.4 | 0 | 0 | 113 | L612 T615 D643 L644 M645 L651 | L612-Q647 HydrophobicContact CD2-CB 4.17Å; T615-Q647 VanDerWaalsContact CB-OE1 3.28Å; T615-Q647 PolarHBondContact OG1-OE1 3.03Å; D643-Q647 VanDerWaalsContact O-CG 3.32Å; D643-Q647 WeakPolarHBondContact O-CG 3Å; D643-Q647 PolarHBondContact O-N 3.16Å; L644-Q647 PolarHBondContact O-N 2.87Å; M645-Q647 PolarHBondContact O-N 3.21Å; Q647-L651 WeakPolarHBondContact O-CG 3.39Å; Q647-L651 PolarHBondContact O-N 3.13Å |
| 648 | I | 85.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.5 | -38.1 | 175.3 | -61.1 | 160.4 | 0 | 0 | 0 | 110.8 | F593 I595 L612 L630 I632 L644 M645 L651 G652 Y653 P655 | F593-I648 HydrophobicContact CD2-CD1 3.85Å; F593-I648 HydrophobicContact CE2-CD1 4.28Å; F593-I648 HydrophobicContact CG-CD1 4.32Å; I595-I648 HydrophobicContact CD1-CG2 4.36Å; I595-I648 HydrophobicContact CG2-CG2 4.49Å; L612-I648 HydrophobicContact CD1-CG1 4.28Å; L612-I648 HydrophobicContact CD2-CG1 4.46Å; L630-I648 HydrophobicContact CD2-CD1 3.73Å; L630-I648 HydrophobicContact CD2-CG1 4.37Å; I632-I648 HydrophobicContact CD1-CD1 4.36Å; L644-I648 WeakPolarHBondContact O-CG1 3.19Å; L644-I648 PolarHBondContact O-N 3.44Å; L644-I648 VanDerWaalsContact O-N 3.14Å; M645-I648 PolarHBondContact O-N 2.63Å; I648-L651 WeakPolarHBondContact O-CB 3.47Å; I648-L651 PolarHBondContact O-N 2.86Å; I648-L651 VanDerWaalsContact O-N 3.12Å; I648-G652 PolarHBondContact O-N 3.2Å; I648-Y653 PolarHBondContact O-N 2.97Å; I648-P655 HydrophobicContact CB-CB 4.22Å; I648-P655 HydrophobicContact CB-CG 4.01Å; I648-P655 HydrophobicContact CD1-CB 4.08Å; I648-P655 HydrophobicContact CG2-CB 3.97Å; I648-P655 HydrophobicContact CG2-CG 4.03Å |
| 649 | E | 84.9 | Confident | 78.8 | Confident | 96 Ų | 96 | 52.3 Ų | 52.3 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 171.8 | -68.9 | 169.8 | 170.6 | 0 | 0 | 111.3 | M645 L651 G652 Y653 P655 | M645-E649 WeakPolarHBondContact O-CG 3.13Å; M645-E649 PolarHBondContact O-N 3.39Å; E649-L651 PolarHBondContact O-N 3.01Å; E649-G652 WeakPolarHBondContact O-CA 3.24Å; E649-G652 PolarHBondContact O-N 2.78Å; E649-Y653 WeakPolarHBondContact CA-O 3.5Å; E649-P655 HydrophobicContact CG-CG 4.07Å |
| 650 | N | 85.1 | Confident | 77.4 | Confident | 141 Ų | 141 | 56.9 Ų | 56.9 | 75% | 0.754 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.3 | 173.9 | -72.9 | -19.8 | 0 | 0 | 0 | 113.7 | K646 G652 | K646-N650 WeakPolarHBondContact O-CB 3.49Å; K646-N650 PolarHBondContact O-N 3.09Å; K646-N650 PolarHBondContact O-ND2 3Å; N650-G652 VanDerWaalsContact C-N 3.31Å |
| 651 | L | 81.9 | Confident | 75.9 | Confident | 54 Ų | 54 | 65 Ų | 65 | 28% | 0.283 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 0.1 | 171 | -74.8 | 168.1 | 0 | 0 | 0 | 112.8 | T611 Q647 I648 E649 Y653 | T611-L651 HydrophobicContact CG2-CD1 4.2Å; T611-L651 HydrophobicContact CG2-CD2 4.32Å; Q647-L651 WeakPolarHBondContact O-CG 3.39Å; Q647-L651 PolarHBondContact O-N 3.13Å; I648-L651 WeakPolarHBondContact O-CB 3.47Å; I648-L651 PolarHBondContact O-N 2.86Å; I648-L651 VanDerWaalsContact O-N 3.12Å; E649-L651 PolarHBondContact O-N 3.01Å; L651-Y653 HydrophobicContact CB-CD2 3.86Å; L651-Y653 HydrophobicContact CB-CE2 4.11Å; L651-Y653 WeakPolarHBondContact O-CD2 3.22Å; L651-Y653 WeakPolarHBondContact O-CE2 3.4Å |
| 652 | G | 78.6 | Confident | 74.2 | Confident | 69 Ų | 69 | 69.8 Ų | 69.8 | 71% | 0.711 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 14.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I648 E649 N650 | I648-G652 PolarHBondContact O-N 3.2Å; E649-G652 WeakPolarHBondContact O-CA 3.24Å; E649-G652 PolarHBondContact O-N 2.78Å; N650-G652 VanDerWaalsContact C-N 3.31Å |
| 653 | Y | 82.7 | Confident | 72.2 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 13% | 0.129 | 39% | 0.388 | C | S | . | . | trans | -116 | 153.6 | -178.8 | -55.9 | -80.7 | 0 | 0 | 0 | 111.9 | I595 L598 Q604 I608 I648 E649 L651 P655 | I595-Y653 HydrophobicContact CG2-CD1 4.32Å; I595-Y653 HydrophobicContact CG2-CG 4.15Å; L598-Y653 HydrophobicContact CG-CD1 4.46Å; L598-Y653 HydrophobicContact CG-CE1 4.41Å; Q604-Y653 PolarHBondContact OE1-OH 2.65Å; I608-Y653 HydrophobicContact CD1-CD2 4.1Å; I608-Y653 HydrophobicContact CD1-CE1 4.46Å; I608-Y653 HydrophobicContact CD1-CE2 3.71Å; I608-Y653 HydrophobicContact CG1-CD2 4.29Å; I608-Y653 HydrophobicContact CG1-CE2 3.79Å; I648-Y653 PolarHBondContact O-N 2.97Å; E649-Y653 WeakPolarHBondContact CA-O 3.5Å; L651-Y653 HydrophobicContact CB-CD2 3.86Å; L651-Y653 HydrophobicContact CB-CE2 4.11Å; L651-Y653 WeakPolarHBondContact O-CD2 3.22Å; L651-Y653 WeakPolarHBondContact O-CE2 3.4Å; Y653-P655 WeakPolarHBondContact O-CD 3.37Å | ||
| 654 | Q | 78.3 | Confident | 70.2 | Confident | 145 Ų | 145 | 76.7 Ų | 76.7 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 106.4 | 174.1 | -68.2 | -168.6 | 3.4 | 0 | 0 | 111.4 | H596 | H596-Q654 PolarHBondContact N-O 2.71Å |
| 655 | P | 78.7 | Confident | 67.9 | Low | 8 Ų | 8 | 81 Ų | 81 | 5% | 0.052 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 120 | 171.8 | 32.6 | -32.4 | 0 | 0 | 0 | 110.4 | F593 M645 I648 E649 Y653 | F593-P655 HydrophobicContact CB-CB 4.26Å; F593-P655 HydrophobicContact CD1-CB 3.96Å; F593-P655 HydrophobicContact CG-CB 4.17Å; M645-P655 HydrophobicContact CB-CG 3.97Å; M645-P655 HydrophobicContact CE-CG 4.18Å; M645-P655 WeakPolarHBondContact CE-O 3.38Å; M645-P655 HydrophobicContact CG-CB 4.34Å; M645-P655 HydrophobicContact CG-CG 3.94Å; I648-P655 HydrophobicContact CB-CB 4.22Å; I648-P655 HydrophobicContact CB-CG 4.01Å; I648-P655 HydrophobicContact CD1-CB 4.08Å; I648-P655 HydrophobicContact CG2-CB 3.97Å; I648-P655 HydrophobicContact CG2-CG 4.03Å; E649-P655 HydrophobicContact CG-CG 4.07Å; Y653-P655 WeakPolarHBondContact O-CD 3.37Å |
| 656 | V | 78.3 | Confident | 66 | Low | 73 Ų | 73 | 85.2 Ų | 85.2 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 135.4 | 161.5 | 176.8 | 0 | 0 | 0 | 0 | 107 | F593 T594 C658 | F593-V656 CarbonylContact C-O 3.53Å; F593-V656 VanDerWaalsContact CA-O 3.29Å; F593-V656 WeakPolarHBondContact CA-O 3.44Å; T594-V656 PolarHBondContact N-O 3.17Å; T594-V656 PolarHBondContact O-N 3.41Å; V656-C658 PolarHBondContact O-N 2.54Å; V656-C658 VanDerWaalsContact O-N 3.12Å |
| 657 | L | 73 | Confident | 64.2 | Low | 30 Ų | 30 | 83.8 Ų | 83.8 | 16% | 0.157 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 120.1 | 176.1 | -167.7 | 75.9 | 0 | 0 | 0 | 109.4 | I591 H592 F593 R659 E901 L902 | I591-L657 HydrophobicContact CD1-CD1 4.05Å; I591-L657 HydrophobicContact CG1-CD1 4.14Å; H592-L657 WeakPolarHBondContact O-CD1 3.42Å; F593-L657 HydrophobicContact CD1-CB 4.45Å; F593-L657 HydrophobicContact CD1-CD1 3.91Å; F593-L657 HydrophobicContact CE1-CB 4.47Å; F593-L657 HydrophobicContact CE1-CD1 3.53Å; F593-L657 HydrophobicContact CZ-CD1 4.16Å; L657-R659 PolarHBondContact O-N 3.04Å; L657-E901 HydrophobicContact CD2-CB 3.37Å; L657-E901 HydrophobicContact CD2-CG 3.89Å; L657-L902 HydrophobicContact CD1-CD2 4.45Å |
| 658 | C | 64.9 | Low | 62.7 | Low | 25 Ų | 25 | 84.2 Ų | 84.2 | 17% | 0.169 | 44% | 0.439 | C | S | . | . | trans | -66.5 | 85.8 | 164.8 | -89.3 | 0 | 0 | 0 | 0 | 105.6 | H592 F593 T594 C629 V656 P660 | H592-C658 HydrophobicContact CB-CB 3.48Å; H592-C658 VanDerWaalsContact CB-CB 3.48Å; H592-C658 WeakPolarHBondContact O-CB 3.4Å; H592-C658 PolarHBondContact O-N 3.08Å; F593-C658 VanDerWaalsContact C-SG 3.56Å; T594-C658 PolarHBondContact N-SG 2.97Å; T594-C658 PolarHBondContact OG1-SG 3.45Å; C629-C658 WeakPolarHBondContact CB-SG 3.2Å; C629-C658 WeakPolarHBondContact SG-CB 3.37Å; C629-C658 CovalentContact SG-SG 2.06Å; C629-C658 PolarHBondContact SG-SG 2.99Å; V656-C658 PolarHBondContact O-N 2.54Å; V656-C658 VanDerWaalsContact O-N 3.12Å; C658-P660 WeakPolarHBondContact O-CD 3.44Å | ||
| 659 | R | 54.2 | Low | 61.2 | Low | 130 Ų | 130 | 86.4 Ų | 86.4 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | trans | -52.8 | 126.1 | 161.8 | -80.3 | -175.9 | 164.2 | 134.3 | 7.6 | 106.6 | L657 E661 E901 | L657-R659 PolarHBondContact O-N 3.04Å; R659-E661 PolarHBondContact O-N 3.04Å; R659-E901 WeakPolarHBondContact CG-OE1 3.16Å; R659-E901 IonicContact CZ-OE1 2.81Å; R659-E901 IonicContact CZ-OE2 3.44Å; R659-E901 IonicContact NE-OE1 2.91Å; R659-E901 PolarHBondContact NE-OE1 2.82Å; R659-E901 IonicContact NE-OE2 2.75Å; R659-E901 IonicContact NH2-OE1 3.5Å; R659-E901 PolarHBondContact NH2-OE1 2.97Å; R659-E901 IonicContact NH2-OE2 3.45Å; R659-E901 PolarHBondContact NH2-OE2 2.85Å | ||
| 660 | P | 49 | Very low | 60 | Low | 112 Ų | 112 | 83.5 Ų | 83.5 | 73% | 0.727 | 44% | 0.444 | S | S | * | . | trans | -60.6 | 110.7 | 164.1 | 26.1 | -30.9 | 0 | 0 | 0 | 106 | C658 Q662 | C658-P660 WeakPolarHBondContact O-CD 3.44Å; P660-Q662 VanDerWaalsContact C-N 3.33Å; P660-Q662 PolarHBondContact O-N 3.06Å | ||
| 661 | E | 40.7 | Very low | 58.9 | Low | 175 Ų | 175 | 78.9 Ų | 78.9 | 82% | 0.818 | 42% | 0.419 | S | S | * | . | trans | -55.5 | 107.2 | 163.5 | -78.6 | -160.9 | 133.2 | 0 | 0 | 106 | R659 K663 | R659-E661 PolarHBondContact O-N 3.04Å; E661-K663 PolarHBondContact O-N 3.29Å | ||
| 662 | Q | 42.4 | Very low | 58.3 | Low | 110 Ų | 110 | 80.4 Ų | 80.4 | 51% | 0.514 | 43% | 0.427 | S | S | . | . | trans | -54.3 | 121.6 | 179.8 | -74.5 | -172.9 | -30.4 | 0 | 0 | 107.3 | P660 N664 L665 | P660-Q662 VanDerWaalsContact C-N 3.33Å; P660-Q662 PolarHBondContact O-N 3.06Å; Q662-N664 HydrophobicContact CB-CB 4.29Å; Q662-N664 PolarHBondContact O-N 3.36Å; Q662-N664 PolarHBondContact OE1-ND2 3.43Å; Q662-L665 PolarHBondContact O-N 3.44Å | ||
| 663 | K | 38.3 | Very low | 58.1 | Low | 158 Ų | 158 | 82.8 Ų | 82.8 | 69% | 0.687 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 17.1 | -178.4 | -71 | 178.3 | 177 | 171.9 | 0 | 113.5 | E661 L665 H666 | E661-K663 PolarHBondContact O-N 3.29Å; K663-L665 PolarHBondContact O-N 3.15Å; K663-H666 WeakPolarHBondContact O-CA 3.41Å; K663-H666 WeakPolarHBondContact O-CB 3.22Å; K663-H666 PolarHBondContact O-N 2.63Å |
| 664 | N | 38.9 | Very low | 57.8 | Low | 74 Ų | 74 | 82.4 Ų | 82.4 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -23.6 | 159.4 | -65.8 | -19.3 | 0 | 0 | 0 | 112.6 | Q662 H666 | Q662-N664 HydrophobicContact CB-CB 4.29Å; Q662-N664 PolarHBondContact O-N 3.36Å; Q662-N664 PolarHBondContact OE1-ND2 3.43Å; N664-H666 PolarHBondContact O-N 3.12Å |
| 665 | L | 37.4 | Very low | 57.9 | Low | 92 Ų | 92 | 81.1 Ų | 81.1 | 48% | 0.482 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.7 | -23.9 | 168.1 | -144.3 | 80.3 | 0 | 0 | 0 | 113 | N424 Q662 K663 S668 | N424-L665 HydrophobicContact CB-CD1 4.29Å; N424-L665 WeakPolarHBondContact ND2-CD1 3.47Å; Q662-L665 PolarHBondContact O-N 3.44Å; K663-L665 PolarHBondContact O-N 3.15Å; L665-S668 PolarHBondContact O-OG 2.92Å |
| 666 | H | 43.3 | Very low | 58 | Low | 116 Ų | 116 | 84.1 Ų | 84.1 | 54% | 0.537 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -82 | -20.2 | -172.9 | -137.2 | -57 | 0 | 0 | 0 | 113.9 | K663 N664 S668 S669 | K663-H666 WeakPolarHBondContact O-CA 3.41Å; K663-H666 WeakPolarHBondContact O-CB 3.22Å; K663-H666 PolarHBondContact O-N 2.63Å; N664-H666 PolarHBondContact O-N 3.12Å; H666-S668 VanDerWaalsContact C-N 3.31Å; H666-S668 PolarHBondContact O-N 3.45Å; H666-S669 PolarHBondContact ND1-OG 2.93Å; H666-S669 WeakPolarHBondContact O-CB 3.32Å; H666-S669 PolarHBondContact O-N 3.45Å; H666-S669 PolarHBondContact O-OG 2.75Å |
| 667 | E | 47.2 | Very low | 58.2 | Low | 68 Ų | 68 | 80.8 Ų | 80.8 | 32% | 0.318 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 176.3 | -170.1 | 177.9 | -154.8 | 0 | 0 | 110.6 | S669 S670 S847 | E667-S669 VanDerWaalsContact C-N 3.27Å; E667-S669 PolarHBondContact O-N 2.62Å; E667-S670 PolarHBondContact O-N 2.68Å; E667-S670 PolarHBondContact O-OG 2.85Å; E667-S847 PolarHBondContact OE1-OG 3.33Å; E667-S847 VanDerWaalsContact OE2-CB 3.27Å; E667-S847 WeakPolarHBondContact OE2-CB 3.42Å; E667-S847 PolarHBondContact OE2-OG 2.79Å |
| 668 | S | 52.2 | Low | 58.8 | Low | 60 Ų | 60 | 80.3 Ų | 80.3 | 42% | 0.42 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56 | -37 | 178 | 76 | 0 | 0 | 0 | 0 | 113.2 | L665 H666 S670 L671 L672 | L665-S668 PolarHBondContact O-OG 2.92Å; H666-S668 VanDerWaalsContact C-N 3.31Å; H666-S668 PolarHBondContact O-N 3.45Å; S668-S670 VanDerWaalsContact C-N 3.26Å; S668-S670 PolarHBondContact O-N 3.11Å; S668-L671 PolarHBondContact O-N 2.73Å; S668-L671 VanDerWaalsContact O-N 3.13Å; S668-L672 WeakPolarHBondContact O-CB 3.45Å; S668-L672 WeakPolarHBondContact O-CG 3.19Å; S668-L672 PolarHBondContact O-N 3.31Å |
| 669 | S | 55.9 | Low | 59.9 | Low | 45 Ų | 45 | 84.4 Ų | 84.4 | 32% | 0.315 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.7 | -34.3 | -177.8 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | H666 E667 R673 | H666-S669 PolarHBondContact ND1-OG 2.93Å; H666-S669 WeakPolarHBondContact O-CB 3.32Å; H666-S669 PolarHBondContact O-N 3.45Å; H666-S669 PolarHBondContact O-OG 2.75Å; E667-S669 VanDerWaalsContact C-N 3.27Å; E667-S669 PolarHBondContact O-N 2.62Å; S669-R673 VanDerWaalsContact O-CG 3.3Å; S669-R673 WeakPolarHBondContact O-CG 3.27Å; S669-R673 PolarHBondContact O-N 2.96Å |
| 670 | S | 58.3 | Low | 61.4 | Low | 35 Ų | 35 | 81.6 Ų | 81.6 | 25% | 0.245 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -73.5 | -40.6 | 177.5 | 73.5 | 0 | 0 | 0 | 0 | 111.7 | E667 S668 R673 W674 H840 | E667-S670 PolarHBondContact O-N 2.68Å; E667-S670 PolarHBondContact O-OG 2.85Å; S668-S670 VanDerWaalsContact C-N 3.26Å; S668-S670 PolarHBondContact O-N 3.11Å; S670-R673 PolarHBondContact O-N 2.83Å; S670-W674 PolarHBondContact O-N 3.17Å; S670-H840 PolarHBondContact OG-CE1 2.82Å; S670-H840 PolarHBondContact OG-ND1 2.88Å; S670-H840 VanDerWaalsContact OG-ND1 3.16Å |
| 671 | L | 62.7 | Low | 63.2 | Low | 45 Ų | 45 | 76.2 Ų | 76.2 | 24% | 0.236 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.7 | -39.8 | -178.7 | -161.4 | 155.5 | 0 | 0 | 0 | 110.8 | S668 W674 R675 H840 I841 | S668-L671 PolarHBondContact O-N 2.73Å; S668-L671 VanDerWaalsContact O-N 3.13Å; L671-W674 PolarHBondContact O-N 2.88Å; L671-R675 VanDerWaalsContact O-CB 3.28Å; L671-R675 WeakPolarHBondContact O-CB 3.3Å; L671-R675 PolarHBondContact O-N 3.5Å; L671-H840 HydrophobicContact CB-CB 4.45Å; L671-H840 HydrophobicContact CD1-CB 4.33Å; L671-H840 HydrophobicContact CG-CB 4.14Å; L671-I841 HydrophobicContact CD1-CG1 4.34Å; L671-I841 HydrophobicContact CD2-CG1 4.49Å |
| 672 | L | 68.3 | Low | 65.4 | Low | 85 Ų | 85 | 70.1 Ų | 70.1 | 45% | 0.445 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 173.6 | -75.2 | 169.3 | 0 | 0 | 0 | 112.7 | S668 R675 S676 | S668-L672 WeakPolarHBondContact O-CB 3.45Å; S668-L672 WeakPolarHBondContact O-CG 3.19Å; S668-L672 PolarHBondContact O-N 3.31Å; L672-R675 PolarHBondContact O-N 3.09Å; L672-S676 VanDerWaalsContact O-CB 3.31Å; L672-S676 WeakPolarHBondContact O-CB 3.47Å; L672-S676 PolarHBondContact O-N 2.94Å |
| 673 | R | 75.5 | Confident | 67.6 | Low | 120 Ų | 120 | 70.1 Ų | 70.1 | 45% | 0.453 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 176.7 | -78.5 | 174.4 | 61 | -166.7 | -5.9 | 112.5 | S669 S670 S676 S677 Y771 | S669-R673 VanDerWaalsContact O-CG 3.3Å; S669-R673 WeakPolarHBondContact O-CG 3.27Å; S669-R673 PolarHBondContact O-N 2.96Å; S670-R673 PolarHBondContact O-N 2.83Å; R673-S676 PolarHBondContact O-N 3.24Å; R673-S677 WeakPolarHBondContact O-CB 3.42Å; R673-S677 PolarHBondContact O-N 2.87Å; R673-Y771 VanDerWaalsContact NH2-CD1 3.27Å |
| 674 | W | 75.2 | Confident | 69.9 | Low | 25 Ų | 25 | 65.6 Ų | 65.6 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 174.9 | -71.1 | 121.4 | 0 | 0 | 0 | 112.5 | S670 L671 S676 S677 F678 F772 R836 W837 H840 | S670-W674 PolarHBondContact O-N 3.17Å; L671-W674 PolarHBondContact O-N 2.88Å; W674-S676 PolarHBondContact O-N 3.23Å; W674-S677 PolarHBondContact O-N 3.01Å; W674-F678 WeakPolarHBondContact O-CB 3.38Å; W674-F678 PolarHBondContact O-N 3.36Å; W674-F772 HydrophobicContact CE3-CZ 4.48Å; W674-F772 HydrophobicContact CH2-CD1 4.31Å; W674-F772 AromaticContact CH2-CE1 3.84Å; W674-F772 HydrophobicContact CH2-CE1 3.84Å; W674-F772 HydrophobicContact CH2-CE2 4.5Å; W674-F772 AromaticContact CH2-CZ 3.95Å; W674-F772 HydrophobicContact CH2-CZ 3.95Å; W674-F772 AromaticContact CZ3-CE1 3.88Å; W674-F772 HydrophobicContact CZ3-CE1 3.88Å; W674-F772 AromaticContact CZ3-CE2 3.87Å; W674-F772 HydrophobicContact CZ3-CE2 3.87Å; W674-F772 AromaticContact CZ3-CZ 3.49Å; W674-F772 HydrophobicContact CZ3-CZ 3.49Å; W674-F772 VanDerWaalsContact CZ3-CZ 3.49Å; W674-R836 HydrophobicContact CD2-CB 3.87Å; W674-R836 HydrophobicContact CE3-CB 3.99Å; W674-R836 HydrophobicContact CG-CB 4.29Å; W674-R836 HydrophobicContact CH2-CG 4.29Å; W674-R836 HydrophobicContact CZ2-CB 4.43Å; W674-R836 HydrophobicContact CZ2-CG 4.34Å; W674-R836 HydrophobicContact CZ3-CB 4.35Å; W674-R836 HydrophobicContact CZ3-CG 4.37Å; W674-W837 HydrophobicContact CB-CB 4.19Å; W674-H840 AromaticContact CD1-CD2 3.61Å; W674-H840 AromaticContact CD1-NE2 3.79Å; W674-H840 AromaticContact NE1-CD2 3.86Å; W674-H840 AromaticContact NE1-NE2 3.65Å |
| 675 | R | 82.2 | Confident | 72 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 172.7 | -169.6 | 177.5 | 90.7 | 160.6 | 5 | 111.6 | L671 L672 F678 Y679 W837 | L671-R675 VanDerWaalsContact O-CB 3.28Å; L671-R675 WeakPolarHBondContact O-CB 3.3Å; L671-R675 PolarHBondContact O-N 3.5Å; L672-R675 PolarHBondContact O-N 3.09Å; R675-F678 PolarHBondContact O-N 2.95Å; R675-Y679 HydrophobicContact CG-CD2 3.71Å; R675-Y679 HydrophobicContact CG-CE2 3.51Å; R675-Y679 WeakPolarHBondContact O-CD2 3.46Å; R675-Y679 PolarHBondContact O-N 3.12Å; R675-W837 HydrophobicContact CB-CZ2 4.41Å; R675-W837 HydrophobicContact CG-CH2 4.43Å; R675-W837 HydrophobicContact CG-CZ2 3.71Å |
| 676 | S | 80.9 | Confident | 74.3 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | L672 R673 W674 F678 Y679 F680 | L672-S676 VanDerWaalsContact O-CB 3.31Å; L672-S676 WeakPolarHBondContact O-CB 3.47Å; L672-S676 PolarHBondContact O-N 2.94Å; R673-S676 PolarHBondContact O-N 3.24Å; W674-S676 PolarHBondContact O-N 3.23Å; S676-F678 VanDerWaalsContact C-N 3.32Å; S676-F678 PolarHBondContact O-N 3.21Å; S676-Y679 PolarHBondContact O-N 2.98Å; S676-F680 VanDerWaalsContact O-CB 3.28Å; S676-F680 WeakPolarHBondContact O-CB 3.41Å; S676-F680 PolarHBondContact O-N 3.11Å |
| 677 | S | 82.3 | Confident | 76.4 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.8 | -42.2 | 174.8 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | R673 W674 S681 G768 | R673-S677 WeakPolarHBondContact O-CB 3.42Å; R673-S677 PolarHBondContact O-N 2.87Å; W674-S677 PolarHBondContact O-N 3.01Å; S677-S681 WeakPolarHBondContact O-CB 3.38Å; S677-S681 PolarHBondContact O-N 3.41Å; S677-S681 VanDerWaalsContact O-N 3.11Å; S677-S681 PolarHBondContact O-OG 2.87Å; S677-G768 PolarHBondContact OG-O 3.19Å |
| 678 | F | 86 | Confident | 78.1 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -55.1 | 174.7 | 170.9 | -107.9 | 0 | 0 | 0 | 111.9 | W674 R675 S676 F680 S681 L682 V830 S833 L834 W837 | W674-F678 WeakPolarHBondContact O-CB 3.38Å; W674-F678 PolarHBondContact O-N 3.36Å; R675-F678 PolarHBondContact O-N 2.95Å; S676-F678 VanDerWaalsContact C-N 3.32Å; S676-F678 PolarHBondContact O-N 3.21Å; F678-F680 PolarHBondContact O-N 3.13Å; F678-S681 PolarHBondContact O-N 2.89Å; F678-L682 HydrophobicContact CE1-CD2 4.01Å; F678-L682 HydrophobicContact CE2-CD1 4.33Å; F678-L682 HydrophobicContact CZ-CD1 4.19Å; F678-L682 HydrophobicContact CZ-CD2 3.87Å; F678-L682 HydrophobicContact CZ-CG 4.47Å; F678-L682 VanDerWaalsContact O-CB 3.29Å; F678-L682 WeakPolarHBondContact O-CB 3.14Å; F678-L682 PolarHBondContact O-N 3.2Å; F678-V830 HydrophobicContact CD2-CG1 4.32Å; F678-V830 HydrophobicContact CE2-CG1 3.85Å; F678-S833 WeakPolarHBondContact CA-OG 3.44Å; F678-L834 HydrophobicContact CD2-CB 3.79Å; F678-L834 HydrophobicContact CD2-CD1 4.4Å; F678-L834 HydrophobicContact CE1-CD1 4.46Å; F678-L834 HydrophobicContact CE2-CB 3.7Å; F678-L834 HydrophobicContact CE2-CD1 3.97Å; F678-L834 HydrophobicContact CE2-CD2 4.33Å; F678-L834 HydrophobicContact CE2-CG 4.2Å; F678-L834 HydrophobicContact CZ-CD1 4Å; F678-W837 AromaticContact CD1-CE3 3.71Å; F678-W837 HydrophobicContact CD1-CE3 3.71Å; F678-W837 AromaticContact CD1-CZ3 3.75Å; F678-W837 HydrophobicContact CD1-CZ3 3.75Å; F678-W837 HydrophobicContact CE1-CE3 4.15Å; F678-W837 AromaticContact CE1-CZ3 3.84Å; F678-W837 HydrophobicContact CE1-CZ3 3.84Å; F678-W837 HydrophobicContact CG-CE3 4.23Å |
| 679 | Y | 86.7 | Confident | 79.3 | Confident | 111 Ų | 111 | 54.3 Ų | 54.3 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | -178.8 | -78.4 | -62.1 | 0 | 0 | 0 | 112.9 | R675 S676 S681 L682 I683 W837 | R675-Y679 HydrophobicContact CG-CD2 3.71Å; R675-Y679 HydrophobicContact CG-CE2 3.51Å; R675-Y679 WeakPolarHBondContact O-CD2 3.46Å; R675-Y679 PolarHBondContact O-N 3.12Å; S676-Y679 PolarHBondContact O-N 2.98Å; Y679-S681 PolarHBondContact O-N 2.95Å; Y679-L682 HydrophobicContact CD1-CD2 4.37Å; Y679-L682 PolarHBondContact O-N 2.96Å; Y679-I683 WeakPolarHBondContact O-CB 3.46Å; Y679-I683 WeakPolarHBondContact O-CD1 3.46Å; Y679-I683 WeakPolarHBondContact O-CG1 3.4Å; Y679-I683 PolarHBondContact O-N 3.13Å; Y679-W837 HydrophobicContact CE2-CH2 4.4Å |
| 680 | F | 86 | Confident | 80.6 | Confident | 71 Ų | 71 | 56.9 Ų | 56.9 | 31% | 0.311 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.8 | -172.8 | -80.7 | 0 | 0 | 0 | 111.1 | S676 F678 L682 F684 P763 F767 | S676-F680 VanDerWaalsContact O-CB 3.28Å; S676-F680 WeakPolarHBondContact O-CB 3.41Å; S676-F680 PolarHBondContact O-N 3.11Å; F678-F680 PolarHBondContact O-N 3.13Å; F680-L682 VanDerWaalsContact C-N 3.35Å; F680-L682 PolarHBondContact O-N 2.58Å; F680-F684 HydrophobicContact CD1-CD2 4.3Å; F680-F684 HydrophobicContact CD1-CE2 4.37Å; F680-F684 HydrophobicContact CD2-CE2 4.45Å; F680-F684 AromaticContact CE1-CD2 3.97Å; F680-F684 HydrophobicContact CE1-CD2 3.97Å; F680-F684 AromaticContact CE1-CE2 3.84Å; F680-F684 HydrophobicContact CE1-CE2 3.84Å; F680-F684 AromaticContact CE2-CE2 3.96Å; F680-F684 HydrophobicContact CE2-CE2 3.96Å; F680-F684 HydrophobicContact CZ-CD2 4.25Å; F680-F684 AromaticContact CZ-CE2 3.62Å; F680-F684 HydrophobicContact CZ-CE2 3.62Å; F680-F684 WeakPolarHBondContact O-CD2 3.41Å; F680-P763 HydrophobicContact CE1-CB 4.42Å; F680-F767 HydrophobicContact CD1-CB 4.25Å; F680-F767 HydrophobicContact CE1-CB 3.61Å; F680-F767 HydrophobicContact CE1-CD2 4.35Å; F680-F767 HydrophobicContact CE1-CG 4.36Å; F680-F767 HydrophobicContact CZ-CB 3.84Å; F680-F767 HydrophobicContact CZ-CD2 4.07Å; F680-F767 HydrophobicContact CZ-CG 4.17Å |
| 681 | S | 85.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.8 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | S677 F678 Y679 F684 A685 | S677-S681 WeakPolarHBondContact O-CB 3.38Å; S677-S681 PolarHBondContact O-N 3.41Å; S677-S681 VanDerWaalsContact O-N 3.11Å; S677-S681 PolarHBondContact O-OG 2.87Å; F678-S681 PolarHBondContact O-N 2.89Å; Y679-S681 PolarHBondContact O-N 2.95Å; S681-F684 PolarHBondContact O-N 2.62Å; S681-A685 WeakPolarHBondContact O-CB 3.17Å; S681-A685 PolarHBondContact O-N 2.65Å |
| 682 | L | 87.6 | Confident | 82.3 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | -179.3 | -170 | 72.4 | 0 | 0 | 0 | 112.7 | F678 Y679 F680 F684 A685 I686 V830 | F678-L682 HydrophobicContact CE1-CD2 4.01Å; F678-L682 HydrophobicContact CE2-CD1 4.33Å; F678-L682 HydrophobicContact CZ-CD1 4.19Å; F678-L682 HydrophobicContact CZ-CD2 3.87Å; F678-L682 HydrophobicContact CZ-CG 4.47Å; F678-L682 VanDerWaalsContact O-CB 3.29Å; F678-L682 WeakPolarHBondContact O-CB 3.14Å; F678-L682 PolarHBondContact O-N 3.2Å; Y679-L682 HydrophobicContact CD1-CD2 4.37Å; Y679-L682 PolarHBondContact O-N 2.96Å; F680-L682 VanDerWaalsContact C-N 3.35Å; F680-L682 PolarHBondContact O-N 2.58Å; L682-F684 VanDerWaalsContact C-N 3.28Å; L682-F684 PolarHBondContact O-N 3.02Å; L682-A685 PolarHBondContact O-N 3.4Å; L682-I686 HydrophobicContact CD1-CD1 3.8Å; L682-I686 HydrophobicContact CD1-CG1 3.96Å; L682-I686 HydrophobicContact CD2-CD1 4.34Å; L682-I686 HydrophobicContact CG-CD1 3.74Å; L682-I686 HydrophobicContact CG-CG1 4.19Å; L682-I686 WeakPolarHBondContact O-CG1 3.32Å; L682-I686 PolarHBondContact O-N 2.65Å; L682-V830 HydrophobicContact CD1-CG1 3.94Å |
| 683 | I | 88.9 | Confident | 82.7 | Confident | 110 Ų | 110 | 55.2 Ų | 55.2 | 56% | 0.564 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -56.6 | -39.4 | -178.8 | -77.5 | 163 | 0 | 0 | 0 | 112.1 | Y679 P687 | Y679-I683 WeakPolarHBondContact O-CB 3.46Å; Y679-I683 WeakPolarHBondContact O-CD1 3.46Å; Y679-I683 WeakPolarHBondContact O-CG1 3.4Å; Y679-I683 PolarHBondContact O-N 3.13Å; I683-P687 WeakPolarHBondContact O-CD 3.36Å; I683-P687 VanDerWaalsContact O-CG 3.25Å; I683-P687 WeakPolarHBondContact O-CG 3.46Å |
| 684 | F | 86.5 | Confident | 82.9 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -94.4 | -27.7 | 178.4 | -64.4 | -76.9 | 0 | 0 | 0 | 112.8 | F680 S681 L682 P687 T688 L760 I764 | F680-F684 HydrophobicContact CD1-CD2 4.3Å; F680-F684 HydrophobicContact CD1-CE2 4.37Å; F680-F684 HydrophobicContact CD2-CE2 4.45Å; F680-F684 AromaticContact CE1-CD2 3.97Å; F680-F684 HydrophobicContact CE1-CD2 3.97Å; F680-F684 AromaticContact CE1-CE2 3.84Å; F680-F684 HydrophobicContact CE1-CE2 3.84Å; F680-F684 AromaticContact CE2-CE2 3.96Å; F680-F684 HydrophobicContact CE2-CE2 3.96Å; F680-F684 HydrophobicContact CZ-CD2 4.25Å; F680-F684 AromaticContact CZ-CE2 3.62Å; F680-F684 HydrophobicContact CZ-CE2 3.62Å; F680-F684 WeakPolarHBondContact O-CD2 3.41Å; S681-F684 PolarHBondContact O-N 2.62Å; L682-F684 VanDerWaalsContact C-N 3.28Å; L682-F684 PolarHBondContact O-N 3.02Å; F684-P687 WeakPolarHBondContact O-CD 3.4Å; F684-T688 PolarHBondContact O-N 2.89Å; F684-L760 HydrophobicContact CD1-CD2 3.97Å; F684-I764 HydrophobicContact CB-CD1 3.55Å; F684-I764 HydrophobicContact CB-CG1 3.54Å; F684-I764 HydrophobicContact CG-CG1 4.4Å |
| 685 | A | 83.5 | Confident | 82.8 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -74.7 | -34.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S681 L682 T688 M689 I764 P826 M827 V830 | S681-A685 WeakPolarHBondContact O-CB 3.17Å; S681-A685 PolarHBondContact O-N 2.65Å; L682-A685 PolarHBondContact O-N 3.4Å; A685-T688 WeakPolarHBondContact CA-OG1 3.43Å; A685-T688 PolarHBondContact O-N 3.2Å; A685-T688 VanDerWaalsContact O-N 3.15Å; A685-T688 PolarHBondContact O-OG1 3.08Å; A685-M689 PolarHBondContact O-N 3.17Å; A685-I764 HydrophobicContact CB-CD1 4.03Å; A685-P826 HydrophobicContact CB-CB 4.02Å; A685-M827 HydrophobicContact CB-CE 3.75Å; A685-V830 HydrophobicContact CB-CG2 3.49Å; A685-V830 VanDerWaalsContact CB-CG2 3.49Å |
| 686 | I | 85.7 | Confident | 82.1 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 172.9 | -70.3 | 175.2 | 0 | 0 | 0 | 110.1 | L682 T688 M689 M690 | L682-I686 HydrophobicContact CD1-CD1 3.8Å; L682-I686 HydrophobicContact CD1-CG1 3.96Å; L682-I686 HydrophobicContact CD2-CD1 4.34Å; L682-I686 HydrophobicContact CG-CD1 3.74Å; L682-I686 HydrophobicContact CG-CG1 4.19Å; L682-I686 WeakPolarHBondContact O-CG1 3.32Å; L682-I686 PolarHBondContact O-N 2.65Å; I686-T688 VanDerWaalsContact C-N 3.34Å; I686-T688 PolarHBondContact O-N 2.84Å; I686-M689 PolarHBondContact O-N 3.37Å; I686-M690 HydrophobicContact CG2-CG 4.17Å; I686-M690 WeakPolarHBondContact O-CB 3.41Å; I686-M690 WeakPolarHBondContact O-CG 3.47Å; I686-M690 PolarHBondContact O-N 2.8Å |
| 687 | P | 87.2 | Confident | 81.6 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -50.3 | -44.8 | 167.5 | -32 | 36.1 | 0 | 0 | 0 | 114.5 | I683 F684 M689 M690 I691 L760 | I683-P687 WeakPolarHBondContact O-CD 3.36Å; I683-P687 VanDerWaalsContact O-CG 3.25Å; I683-P687 WeakPolarHBondContact O-CG 3.46Å; F684-P687 WeakPolarHBondContact O-CD 3.4Å; P687-M689 PolarHBondContact O-N 2.84Å; P687-M690 PolarHBondContact O-N 3.3Å; P687-I691 WeakPolarHBondContact O-CB 3.44Å; P687-I691 WeakPolarHBondContact O-CD1 3.36Å; P687-I691 VanDerWaalsContact O-CG1 3.27Å; P687-I691 WeakPolarHBondContact O-CG1 3.45Å; P687-I691 PolarHBondContact O-N 2.94Å; P687-L760 HydrophobicContact CB-CD1 3.91Å; P687-L760 HydrophobicContact CB-CD2 4.35Å |
| 688 | T | 82.7 | Confident | 80.9 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 177 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | F684 A685 I686 M692 L760 P826 | F684-T688 PolarHBondContact O-N 2.89Å; A685-T688 WeakPolarHBondContact CA-OG1 3.43Å; A685-T688 PolarHBondContact O-N 3.2Å; A685-T688 VanDerWaalsContact O-N 3.15Å; A685-T688 PolarHBondContact O-OG1 3.08Å; I686-T688 VanDerWaalsContact C-N 3.34Å; I686-T688 PolarHBondContact O-N 2.84Å; T688-M692 WeakPolarHBondContact O-CB 3.47Å; T688-M692 PolarHBondContact O-N 3.39Å; T688-L760 HydrophobicContact CG2-CB 3.48Å; T688-L760 VanDerWaalsContact CG2-CB 3.48Å; T688-L760 HydrophobicContact CG2-CD1 4.15Å; T688-L760 HydrophobicContact CG2-CG 4.47Å; T688-P826 HydrophobicContact CG2-CG 4.48Å |
| 689 | M | 78.3 | Confident | 79.9 | Confident | 41 Ų | 41 | 65 Ų | 65 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 174.8 | -78.9 | -71.5 | -75.5 | 0 | 0 | 111.8 | A685 I686 P687 M692 I693 M827 | A685-M689 PolarHBondContact O-N 3.17Å; I686-M689 PolarHBondContact O-N 3.37Å; P687-M689 PolarHBondContact O-N 2.84Å; M689-M692 HydrophobicContact CE-CE 4.24Å; M689-M692 PolarHBondContact O-N 3.46Å; M689-M692 HydrophobicContact SD-CE 3.77Å; M689-I693 WeakPolarHBondContact O-CB 3.46Å; M689-I693 WeakPolarHBondContact O-CD1 3.46Å; M689-I693 WeakPolarHBondContact O-CG1 3.38Å; M689-I693 PolarHBondContact O-N 3.02Å; M689-M827 HydrophobicContact CE-SD 4.24Å; M689-M827 HydrophobicContact CG-CE 3.37Å; M689-M827 HydrophobicContact CG-CG 4.33Å; M689-M827 HydrophobicContact CG-SD 3.54Å; M689-M827 VanDerWaalsContact CG-SD 3.54Å; M689-M827 HydrophobicContact SD-CE 4.24Å; M689-M827 HydrophobicContact SD-CG 4Å; M689-M827 HydrophobicContact SD-SD 3.6Å; M689-M827 VanDerWaalsContact SD-SD 3.6Å |
| 690 | M | 82.8 | Confident | 78.3 | Confident | 100 Ų | 100 | 64 Ų | 64 | 49% | 0.493 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 177.8 | -69.6 | -63.4 | 165.8 | 0 | 0 | 111.3 | I686 P687 I693 I694 | I686-M690 HydrophobicContact CG2-CG 4.17Å; I686-M690 WeakPolarHBondContact O-CB 3.41Å; I686-M690 WeakPolarHBondContact O-CG 3.47Å; I686-M690 PolarHBondContact O-N 2.8Å; P687-M690 PolarHBondContact O-N 3.3Å; M690-I693 PolarHBondContact O-N 2.69Å; M690-I694 HydrophobicContact CB-CD1 4.32Å; M690-I694 WeakPolarHBondContact O-CB 3.48Å; M690-I694 WeakPolarHBondContact O-CD1 3.32Å; M690-I694 WeakPolarHBondContact O-CG1 3.29Å; M690-I694 PolarHBondContact O-N 3.35Å |
| 691 | I | 81.8 | Confident | 76.3 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 174.9 | -73.8 | 160 | 0 | 0 | 0 | 110.7 | P687 I693 I694 F695 L756 M757 L760 | P687-I691 WeakPolarHBondContact O-CB 3.44Å; P687-I691 WeakPolarHBondContact O-CD1 3.36Å; P687-I691 VanDerWaalsContact O-CG1 3.27Å; P687-I691 WeakPolarHBondContact O-CG1 3.45Å; P687-I691 PolarHBondContact O-N 2.94Å; I691-I693 VanDerWaalsContact C-N 3.33Å; I691-I693 PolarHBondContact O-N 2.64Å; I691-I694 PolarHBondContact O-N 3.43Å; I691-F695 HydrophobicContact CG2-CD2 3.84Å; I691-F695 HydrophobicContact CG2-CE2 4.09Å; I691-F695 WeakPolarHBondContact O-CB 3.41Å; I691-F695 WeakPolarHBondContact O-CD2 3.47Å; I691-F695 PolarHBondContact O-N 3.07Å; I691-L756 HydrophobicContact CD1-CB 4.28Å; I691-L756 HydrophobicContact CD1-CD2 4.16Å; I691-M757 HydrophobicContact CG2-CG 4.4Å; I691-L760 HydrophobicContact CD1-CD1 3.32Å |
| 692 | M | 74.9 | Confident | 74.1 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 20% | 0.197 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56 | -47.1 | 175.1 | -177.2 | -164.7 | 70.1 | 0 | 0 | 111.6 | T688 M689 M696 E823 | T688-M692 WeakPolarHBondContact O-CB 3.47Å; T688-M692 PolarHBondContact O-N 3.39Å; M689-M692 HydrophobicContact CE-CE 4.24Å; M689-M692 PolarHBondContact O-N 3.46Å; M689-M692 HydrophobicContact SD-CE 3.77Å; M692-M696 WeakPolarHBondContact O-CB 3.21Å; M692-M696 PolarHBondContact O-N 3.25Å; M692-E823 HydrophobicContact SD-CB 4.35Å; M692-E823 HydrophobicContact SD-CG 3.96Å |
| 693 | I | 75.9 | Confident | 71.8 | Confident | 64 Ų | 64 | 79.8 Ų | 79.8 | 33% | 0.328 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 179.1 | -69.2 | 165.2 | 0 | 0 | 0 | 111.3 | M689 M690 I691 M696 L697 | M689-I693 WeakPolarHBondContact O-CB 3.46Å; M689-I693 WeakPolarHBondContact O-CD1 3.46Å; M689-I693 WeakPolarHBondContact O-CG1 3.38Å; M689-I693 PolarHBondContact O-N 3.02Å; M690-I693 PolarHBondContact O-N 2.69Å; I691-I693 VanDerWaalsContact C-N 3.33Å; I691-I693 PolarHBondContact O-N 2.64Å; I693-M696 PolarHBondContact O-N 3.33Å; I693-L697 HydrophobicContact CG2-CD1 3.67Å; I693-L697 HydrophobicContact CG2-CG 4.35Å; I693-L697 WeakPolarHBondContact O-CB 3.39Å; I693-L697 VanDerWaalsContact O-CG 3.23Å; I693-L697 WeakPolarHBondContact O-CG 3.42Å; I693-L697 PolarHBondContact O-N 3.03Å |
| 694 | I | 80.1 | Confident | 69.1 | Low | 83 Ų | 83 | 78.2 Ų | 78.2 | 43% | 0.426 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.9 | -42.9 | -178.7 | -73 | 165.4 | 0 | 0 | 0 | 110.9 | M690 I691 L697 L698 | M690-I694 HydrophobicContact CB-CD1 4.32Å; M690-I694 WeakPolarHBondContact O-CB 3.48Å; M690-I694 WeakPolarHBondContact O-CD1 3.32Å; M690-I694 WeakPolarHBondContact O-CG1 3.29Å; M690-I694 PolarHBondContact O-N 3.35Å; I691-I694 PolarHBondContact O-N 3.43Å; I694-L697 PolarHBondContact O-N 3.16Å; I694-L698 HydrophobicContact CG2-CD1 3.53Å; I694-L698 HydrophobicContact CG2-CG 4.11Å; I694-L698 VanDerWaalsContact O-CB 3.28Å; I694-L698 WeakPolarHBondContact O-CB 3.49Å; I694-L698 VanDerWaalsContact O-CG 3.27Å; I694-L698 WeakPolarHBondContact O-CG 3.46Å; I694-L698 PolarHBondContact O-N 2.74Å |
| 695 | F | 72.7 | Confident | 66.5 | Low | 30 Ų | 30 | 83.9 Ų | 83.9 | 13% | 0.132 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 174.2 | -84.7 | -98.3 | 0 | 0 | 0 | 111.6 | I691 L697 W699 V752 E753 | I691-F695 HydrophobicContact CG2-CD2 3.84Å; I691-F695 HydrophobicContact CG2-CE2 4.09Å; I691-F695 WeakPolarHBondContact O-CB 3.41Å; I691-F695 WeakPolarHBondContact O-CD2 3.47Å; I691-F695 PolarHBondContact O-N 3.07Å; F695-L697 VanDerWaalsContact C-N 3.29Å; F695-L697 PolarHBondContact O-N 3.22Å; F695-W699 CarbonylContact O-C 3.59Å; F695-W699 VanDerWaalsContact O-CA 3.27Å; F695-W699 WeakPolarHBondContact O-CA 3.37Å; F695-W699 VanDerWaalsContact O-CB 3.28Å; F695-W699 WeakPolarHBondContact O-CB 3.36Å; F695-W699 PolarHBondContact O-N 3.12Å; F695-V752 HydrophobicContact CZ-CG1 4.25Å; F695-E753 HydrophobicContact CB-CG 4.06Å; F695-E753 HydrophobicContact CD1-CB 3.73Å; F695-E753 HydrophobicContact CD1-CG 3.88Å; F695-E753 HydrophobicContact CD2-CB 4.45Å; F695-E753 HydrophobicContact CD2-CG 4.13Å; F695-E753 HydrophobicContact CE1-CB 3.77Å; F695-E753 HydrophobicContact CE1-CG 4.37Å; F695-E753 HydrophobicContact CE2-CB 4.49Å; F695-E753 HydrophobicContact CG-CB 4.08Å; F695-E753 HydrophobicContact CG-CG 3.75Å; F695-E753 HydrophobicContact CZ-CB 4.16Å |
| 696 | M | 68.1 | Low | 63.9 | Low | 137 Ų | 137 | 88.5 Ų | 88.5 | 68% | 0.675 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.4 | -29.5 | 172.4 | -179.4 | 177.1 | 169.9 | 0 | 0 | 113.6 | M692 I693 P700 | M692-M696 WeakPolarHBondContact O-CB 3.21Å; M692-M696 PolarHBondContact O-N 3.25Å; I693-M696 PolarHBondContact O-N 3.33Å; M696-P700 WeakPolarHBondContact O-CA 3.39Å |
| 697 | L | 69.3 | Low | 61.4 | Low | 132 Ų | 132 | 87 Ų | 87 | 69% | 0.691 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -89.3 | -34.7 | 178.9 | -73 | 171.8 | 0 | 0 | 0 | 113.9 | I693 I694 F695 | I693-L697 HydrophobicContact CG2-CD1 3.67Å; I693-L697 HydrophobicContact CG2-CG 4.35Å; I693-L697 WeakPolarHBondContact O-CB 3.39Å; I693-L697 VanDerWaalsContact O-CG 3.23Å; I693-L697 WeakPolarHBondContact O-CG 3.42Å; I693-L697 PolarHBondContact O-N 3.03Å; I694-L697 PolarHBondContact O-N 3.16Å; F695-L697 VanDerWaalsContact C-N 3.29Å; F695-L697 PolarHBondContact O-N 3.22Å |
| 698 | L | 69.3 | Low | 59 | Low | 123 Ų | 123 | 89.5 Ų | 89.5 | 64% | 0.644 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -80.1 | -32.4 | 174.8 | -68.8 | 175.9 | 0 | 0 | 0 | 112.2 | I694 P700 | I694-L698 HydrophobicContact CG2-CD1 3.53Å; I694-L698 HydrophobicContact CG2-CG 4.11Å; I694-L698 VanDerWaalsContact O-CB 3.28Å; I694-L698 WeakPolarHBondContact O-CB 3.49Å; I694-L698 VanDerWaalsContact O-CG 3.27Å; I694-L698 WeakPolarHBondContact O-CG 3.46Å; I694-L698 PolarHBondContact O-N 2.74Å; L698-P700 WeakPolarHBondContact O-CD 3.27Å |
| 699 | W | 63.4 | Low | 56.8 | Low | 57 Ų | 57 | 93.3 Ų | 93.3 | 22% | 0.216 | 49% | 0.49 | C | S | . | . | S | Bend | trans | -123.4 | 66.5 | 177.1 | -105.2 | -80.1 | 0 | 0 | 0 | 110.4 | F695 H701 F741 T742 T743 | F695-W699 CarbonylContact O-C 3.59Å; F695-W699 VanDerWaalsContact O-CA 3.27Å; F695-W699 WeakPolarHBondContact O-CA 3.37Å; F695-W699 VanDerWaalsContact O-CB 3.28Å; F695-W699 WeakPolarHBondContact O-CB 3.36Å; F695-W699 PolarHBondContact O-N 3.12Å; W699-H701 PolarHBondContact O-N 2.94Å; W699-F741 HydrophobicContact CH2-CB 4.4Å; W699-F741 AromaticContact CH2-CD1 3.78Å; W699-F741 HydrophobicContact CH2-CD1 3.78Å; W699-F741 HydrophobicContact CH2-CG 4.43Å; W699-F741 HydrophobicContact CZ2-CB 3.64Å; W699-F741 AromaticContact CZ2-CD1 3.73Å; W699-F741 HydrophobicContact CZ2-CD1 3.73Å; W699-F741 HydrophobicContact CZ2-CG 4.11Å; W699-F741 PolarHBondContact NE1-O 3.23Å; W699-T742 VanDerWaalsContact CZ2-O 3.22Å; W699-T742 WeakPolarHBondContact CZ2-O 3.39Å; W699-T743 HydrophobicContact CB-CG2 4.33Å; W699-T743 HydrophobicContact CD2-CG2 3.84Å; W699-T743 HydrophobicContact CE3-CG2 4.47Å; W699-T743 HydrophobicContact CG-CG2 3.75Å |
| 700 | P | 53.1 | Low | 54.7 | Low | 89 Ų | 89 | 100.3 Ų | 100.3 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | trans | -60.6 | 115.1 | 165.9 | 27.6 | -32.7 | 0 | 0 | 0 | 107.7 | M696 L698 Y702 | M696-P700 WeakPolarHBondContact O-CA 3.39Å; L698-P700 WeakPolarHBondContact O-CD 3.27Å; P700-Y702 PolarHBondContact O-N 3.35Å | ||
| 701 | H | 45.1 | Very low | 52.1 | Low | 128 Ų | 128 | 105.6 Ų | 105.6 | 59% | 0.593 | 54% | 0.543 | S | S | * | . | trans | -71 | 69.8 | -179.2 | -86.2 | -70 | 0 | 0 | 0 | 111.8 | W699 V703 | W699-H701 PolarHBondContact O-N 2.94Å; H701-V703 VanDerWaalsContact C-N 3.27Å; H701-V703 PolarHBondContact O-N 3.34Å; H701-V703 VanDerWaalsContact O-N 3.09Å | ||
| 702 | Y | 39.2 | Very low | 49.6 | Very low | 225 Ų | 225 | 113.6 Ų | 113.6 | 88% | 0.882 | 57% | 0.571 | S | S | * | * | trans | -76.2 | 85.3 | 161 | -145.6 | -80 | 0 | 0 | 0 | 107.3 | P700 P704 | P700-Y702 PolarHBondContact O-N 3.35Å; Y702-P704 WeakPolarHBondContact O-CD 3.42Å | ||
| 703 | V | 39.2 | Very low | 47.3 | Very low | 96 Ų | 96 | 118.4 Ų | 118.4 | 58% | 0.582 | 59% | 0.593 | S | S | * | * | trans | -69.6 | 119.8 | 178.9 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | H701 | H701-V703 VanDerWaalsContact C-N 3.27Å; H701-V703 PolarHBondContact O-N 3.34Å; H701-V703 VanDerWaalsContact O-N 3.09Å | ||
| 704 | P | 33.1 | Very low | 45.2 | Very low | 78 Ų | 78 | 123.4 Ų | 123.4 | 51% | 0.506 | 62% | 0.619 | S | S | . | * | trans | -76.4 | 142.8 | 164.9 | 26.1 | -18.9 | 0 | 0 | 0 | 109.3 | Y702 S706 | Y702-P704 WeakPolarHBondContact O-CD 3.42Å; P704-S706 PolarHBondContact O-N 3.43Å | ||
| 705 | E | 32.2 | Very low | 42.8 | Very low | 182 Ų | 182 | 124.7 Ų | 124.7 | 85% | 0.85 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -63.5 | 93.2 | -176.2 | -60.9 | 173.6 | 141.7 | 0 | 0 | 111.1 | ||
| 706 | S | 28.8 | Very low | 40.8 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | trans | -161.7 | 85.1 | -179.4 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | P704 | P704-S706 PolarHBondContact O-N 3.43Š| ||
| 707 | C | 32.5 | Very low | 39.1 | Very low | 51 Ų | 51 | 131.3 Ų | 131.3 | 35% | 0.345 | 67% | 0.672 | S | S | . | * | trans | -65.8 | 135.3 | -173 | 179.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 708 | P | 37.6 | Very low | 37.5 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | trans | -98.4 | 81.8 | 178.4 | 37.1 | -33.6 | 0 | 0 | 0 | 113.6 | ||||
| 709 | T | 34.6 | Very low | 35.6 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 49% | 0.491 | 68% | 0.681 | S | S | . | * | trans | -133.9 | 68.9 | 173.4 | 54 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 710 | H | 35.3 | Very low | 34 | Very low | 189 Ų | 189 | 139.1 Ų | 139.1 | 88% | 0.875 | 71% | 0.708 | S | S | * | * | trans | -98.9 | 83.9 | 172.1 | -131.5 | -74.7 | 0 | 0 | 0 | 111.6 | ||||
| 711 | F | 28.6 | Very low | 32.9 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 92% | 0.921 | 73% | 0.725 | S | S | * | * | trans | -142.1 | 65 | 172.1 | -146.4 | -74.2 | 0 | 0 | 0 | 111.9 | ||||
| 712 | R | 28.5 | Very low | 32.4 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -149.2 | 135 | 166.2 | -165.7 | 163.3 | 178.8 | 146.8 | 12.7 | 112.2 | ||
| 713 | E | 27.4 | Very low | 32.1 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 66% | 0.659 | 74% | 0.741 | S | S | * | * | trans | 44.8 | 99.6 | 161.1 | -73.7 | 147.8 | -159.3 | 0 | 0 | 118.8 | ||||
| 714 | I | 31 | Very low | 31.6 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -89.3 | 100.9 | 148.3 | -61.3 | 175.8 | 0 | 0 | 0 | 107.3 | ||||
| 715 | S | 29.2 | Very low | 31.7 | Very low | 110 Ų | 110 | 153.2 Ų | 153.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -79.9 | 146 | 155.7 | 52.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 716 | M | 30.9 | Very low | 31.9 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | trans | -79.9 | 162.8 | -174.1 | -55.8 | -178.1 | 85.6 | 0 | 0 | 112.9 | ||||
| 717 | N | 32.6 | Very low | 32.1 | Very low | 137 Ų | 137 | 155.7 Ų | 155.7 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | 101.6 | 130.7 | 160.5 | -71.9 | 32.5 | 0 | 0 | 0 | 120.5 | ||||
| 718 | D | 36 | Very low | 32.1 | Very low | 139 Ų | 139 | 160.1 Ų | 160.1 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | 77.7 | 63.9 | 143 | -50.4 | -18 | 0 | 0 | 0 | 121 | ||||
| 719 | Q | 29.2 | Very low | 31.9 | Very low | 168 Ų | 168 | 163.5 Ų | 163.5 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | 26.3 | 134.7 | 120.7 | -65.7 | -169.2 | -14.5 | 0 | 0 | 121.9 | |||||
| 720 | Q | 29.5 | Very low | 31.8 | Very low | 168 Ų | 168 | 164 Ų | 164 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | 60.5 | 80.7 | 141.5 | -64.3 | -179.2 | -4.2 | 0 | 0 | 119.8 | ||||
| 721 | Q | 29.7 | Very low | 31.6 | Very low | 199 Ų | 199 | 161.5 Ų | 161.5 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | -176.5 | 95.3 | 129.1 | -103.9 | 171.1 | 22.4 | 0 | 0 | 112.2 | |||||
| 722 | Q | 36.4 | Very low | 31.6 | Very low | 211 Ų | 211 | 158.8 Ų | 158.8 | 99% | 0.986 | 80% | 0.803 | S | S | * | * | trans | -148.5 | 57.1 | 164.4 | -119.3 | 179.2 | 16.6 | 0 | 0 | 111.6 | ||||
| 723 | Q | 31.2 | Very low | 31.6 | Very low | 179 Ų | 179 | 155 Ų | 155 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -117.1 | 148.2 | 169.2 | -169.1 | 173.3 | 2.6 | 0 | 0 | 107.6 | ||||
| 724 | Q | 29.9 | Very low | 31.6 | Very low | 170 Ų | 170 | 154.4 Ų | 154.4 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 73.1 | 86.2 | -173.6 | -50.5 | 177.5 | -13.2 | 0 | 0 | 115.7 | ||||
| 725 | N | 35.4 | Very low | 31.5 | Very low | 154 Ų | 154 | 154.4 Ų | 154.4 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | 171.2 | 103 | 107.7 | -87.3 | -29.9 | 0 | 0 | 0 | 112.8 | |||||
| 726 | L | 36.6 | Very low | 31.8 | Very low | 164 Ų | 164 | 158 Ų | 158 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -167 | 58.2 | 137.5 | -109.5 | 168.5 | 0 | 0 | 0 | 111.6 | N728 | L726-N728 VanDerWaalsContact C-N 3.33Å; L726-N728 PolarHBondContact O-N 2.89Å; L726-N728 VanDerWaalsContact O-N 3.13Å | ||
| 727 | L | 32.8 | Very low | 31.7 | Very low | 169 Ų | 169 | 161.7 Ų | 161.7 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -70.7 | 94.7 | 152.7 | -89.3 | 162.8 | 0 | 0 | 0 | 107.2 | ||||
| 728 | N | 32 | Very low | 31.8 | Very low | 143 Ų | 143 | 162.2 Ų | 162.2 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | trans | 173 | 87 | 152.3 | -90.5 | -19.4 | 0 | 0 | 0 | 111.9 | L726 | L726-N728 VanDerWaalsContact C-N 3.33Å; L726-N728 PolarHBondContact O-N 2.89Å; L726-N728 VanDerWaalsContact O-N 3.13Å | ||
| 729 | N | 33.2 | Very low | 31.8 | Very low | 171 Ų | 171 | 162.8 Ų | 162.8 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | -162.6 | 150.5 | 113.5 | -118.5 | -22.4 | 0 | 0 | 0 | 111.6 | |||||
| 730 | S | 32.3 | Very low | 32.2 | Very low | 89 Ų | 89 | 164.8 Ų | 164.8 | 62% | 0.622 | 81% | 0.809 | S | S | * | * | trans | -111.4 | 146.5 | 178.6 | -174.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 731 | N | 30.9 | Very low | 32.9 | Very low | 137 Ų | 137 | 163.8 Ų | 163.8 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | 53.2 | 100.6 | 166 | -57.7 | -20.9 | 0 | 0 | 0 | 117.2 | ||||
| 732 | N | 29 | Very low | 34 | Very low | 153 Ų | 153 | 158.9 Ų | 158.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -171.9 | 158.3 | 110.4 | -97.8 | -27.8 | 0 | 0 | 0 | 114.5 | |||||
| 733 | T | 28.5 | Very low | 35.3 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | trans | 59.8 | 113.9 | 155.5 | 48.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 734 | N | 27.7 | Very low | 36.9 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | trans | 89.2 | 124 | 131.5 | -58 | 10.9 | 0 | 0 | 0 | 120.7 | ||||
| 735 | E | 29.6 | Very low | 38.9 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 70% | 0.703 | S | S | * | * | 33.9 | 95.6 | 126.7 | -55 | 176.7 | 129 | 0 | 0 | 118.1 | |||||
| 736 | H | 34.2 | Very low | 41 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.856 | 69% | 0.685 | S | S | * | * | trans | -170.3 | 83.6 | 133 | -99 | -65.8 | 0 | 0 | 0 | 110.4 | ||||
| 737 | R | 29.4 | Very low | 43.1 | Very low | 248 Ų | 248 | 132 Ų | 132 | 94% | 0.936 | 66% | 0.664 | S | S | * | * | trans | -124.3 | 73.1 | 163.6 | -77.6 | -165.1 | -178.3 | -168.7 | 3.5 | 110.1 | ||||
| 738 | I | 34.8 | Very low | 45 | Very low | 148 Ų | 148 | 127 Ų | 127 | 76% | 0.759 | 64% | 0.641 | S | S | * | * | trans | -118.6 | 138.8 | 166.4 | -61.2 | -179.3 | 0 | 0 | 0 | 107 | ||||
| 739 | H | 34.9 | Very low | 47.1 | Very low | 151 Ų | 151 | 120.1 Ų | 120.1 | 70% | 0.699 | 60% | 0.604 | S | S | * | * | trans | -76 | 133 | -161.1 | -77.4 | -117 | 0 | 0 | 0 | 113.5 | F741 | H739-F741 HydrophobicContact CB-CD2 3.79Å; H739-F741 HydrophobicContact CB-CE2 4.42Å; H739-F741 PolarHBondContact O-N 2.96Å | ||
| 740 | Y | 38.7 | Very low | 49.4 | Very low | 209 Ų | 209 | 112.9 Ų | 112.9 | 82% | 0.82 | 57% | 0.565 | S | S | * | * | trans | -68.6 | 73.5 | 154.7 | -73 | -86.5 | 0 | 0 | 0 | 110.1 | T742 | Y740-T742 PolarHBondContact O-N 2.96Š| ||
| 741 | F | 43.1 | Very low | 51.8 | Low | 147 Ų | 147 | 108.9 Ų | 108.9 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 116.1 | 164.8 | -106.8 | -71.7 | 0 | 0 | 0 | 108.4 | W699 H739 | W699-F741 HydrophobicContact CH2-CB 4.4Å; W699-F741 AromaticContact CH2-CD1 3.78Å; W699-F741 HydrophobicContact CH2-CD1 3.78Å; W699-F741 HydrophobicContact CH2-CG 4.43Å; W699-F741 HydrophobicContact CZ2-CB 3.64Å; W699-F741 AromaticContact CZ2-CD1 3.73Å; W699-F741 HydrophobicContact CZ2-CD1 3.73Å; W699-F741 HydrophobicContact CZ2-CG 4.11Å; W699-F741 PolarHBondContact NE1-O 3.23Å; H739-F741 HydrophobicContact CB-CD2 3.79Å; H739-F741 HydrophobicContact CB-CE2 4.42Å; H739-F741 PolarHBondContact O-N 2.96Å |
| 742 | T | 54.2 | Low | 54.4 | Low | 96 Ų | 96 | 104.2 Ų | 104.2 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -103.4 | 141 | 171.9 | 47.4 | 0 | 0 | 0 | 0 | 109.4 | W699 Y740 | W699-T742 VanDerWaalsContact CZ2-O 3.22Å; W699-T742 WeakPolarHBondContact CZ2-O 3.39Å; Y740-T742 PolarHBondContact O-N 2.96Å |
| 743 | T | 62.5 | Low | 56.9 | Low | 23 Ų | 23 | 99 Ų | 99 | 14% | 0.141 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 131.2 | -178.1 | 52.3 | 0 | 0 | 0 | 0 | 110.3 | W699 M745 | W699-T743 HydrophobicContact CB-CG2 4.33Å; W699-T743 HydrophobicContact CD2-CG2 3.84Å; W699-T743 HydrophobicContact CE3-CG2 4.47Å; W699-T743 HydrophobicContact CG-CG2 3.75Å; T743-M745 PolarHBondContact O-N 3.13Å; T743-M745 VanDerWaalsContact O-N 3.14Å |
| 744 | P | 65.9 | Low | 59.5 | Low | 65 Ų | 65 | 94 Ų | 94 | 42% | 0.422 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 121.8 | -176.5 | 20.9 | -31.6 | 0 | 0 | 0 | 111.4 | V752 | P744-V752 HydrophobicContact CB-CG2 3.93Å; P744-V752 HydrophobicContact CG-CB 4.17Å; P744-V752 HydrophobicContact CG-CG2 3.83Å; P744-V752 WeakPolarHBondContact O-CG2 3.47Å; P744-V752 PolarHBondContact O-N 2.89Å |
| 745 | M | 71.9 | Confident | 62.3 | Low | 60 Ų | 60 | 91.1 Ų | 91.1 | 30% | 0.296 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.3 | 176.7 | -62.9 | -69 | -74.7 | 0 | 0 | 108.8 | T743 L750 | T743-M745 PolarHBondContact O-N 3.13Å; T743-M745 VanDerWaalsContact O-N 3.14Å; M745-L750 WeakPolarHBondContact CA-O 3.21Å |
| 746 | I | 78.3 | Confident | 65.1 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 45% | 0.446 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -38.2 | 179.1 | -52.8 | 174.3 | 0 | 0 | 0 | 109.9 | L750 V752 M755 | I746-L750 PolarHBondContact N-O 3.43Å; I746-V752 HydrophobicContact CD1-CG2 3.85Å; I746-V752 HydrophobicContact CG1-CG2 3.66Å; I746-M755 HydrophobicContact CD1-CB 4.31Å; I746-M755 HydrophobicContact CD1-CE 3.47Å; I746-M755 VanDerWaalsContact CD1-CE 3.47Å; I746-M755 HydrophobicContact CD1-CG 4.48Å; I746-M755 HydrophobicContact CD1-SD 3.39Å; I746-M755 WeakPolarHBondContact CD1-SD 3.46Å |
| 747 | I | 81 | Confident | 67.6 | Low | 80 Ų | 80 | 77.5 Ų | 77.5 | 41% | 0.41 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 143.3 | 177.1 | -55.4 | 178.4 | 0 | 0 | 0 | 105.4 | G749 L750 | I747-G749 PolarHBondContact O-N 3.45Å; I747-L750 HydrophobicContact CB-CB 4.25Å; I747-L750 HydrophobicContact CD1-CD2 4.4Å; I747-L750 PolarHBondContact O-N 2.83Å |
| 748 | P | 73.4 | Confident | 70.5 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 40% | 0.403 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 126.2 | 168.8 | 22.1 | -33.9 | 0 | 0 | 0 | 110.4 | R813 W814 | P748-R813 HydrophobicContact CB-CB 4.05Å; P748-R813 HydrophobicContact CG-CB 4.19Å; P748-R813 HydrophobicContact CG-CG 4.24Å; P748-W814 CarbonylContact C-O 3.58Å |
| 749 | G | 74.8 | Confident | 73.1 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -21.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I747 W814 S817 | I747-G749 PolarHBondContact O-N 3.45Å; G749-W814 WeakPolarHBondContact CA-O 3.41Å; G749-W814 PolarHBondContact N-O 2.82Å; G749-S817 WeakPolarHBondContact O-CA 3.47Å; G749-S817 WeakPolarHBondContact O-CB 3.37Å; G749-S817 PolarHBondContact O-OG 2.82Å |
| 750 | L | 82.1 | Confident | 75.7 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 108.6 | -171.5 | -178.6 | 61.2 | 0 | 0 | 0 | 113.4 | M745 I746 I747 N754 M755 L806 I810 | M745-L750 WeakPolarHBondContact CA-O 3.21Å; I746-L750 PolarHBondContact N-O 3.43Å; I747-L750 HydrophobicContact CB-CB 4.25Å; I747-L750 HydrophobicContact CD1-CD2 4.4Å; I747-L750 PolarHBondContact O-N 2.83Å; L750-N754 HydrophobicContact CD1-CB 4.3Å; L750-M755 HydrophobicContact CD1-CB 4.05Å; L750-M755 HydrophobicContact CG-CB 4.39Å; L750-L806 HydrophobicContact CD1-CD1 3.84Å; L750-L806 HydrophobicContact CD1-CD2 4.08Å; L750-L806 HydrophobicContact CD1-CG 4.28Å; L750-I810 HydrophobicContact CB-CD1 4.27Å; L750-I810 HydrophobicContact CB-CG1 4.26Å; L750-I810 HydrophobicContact CD2-CD1 4.48Å |
| 751 | S | 83.9 | Confident | 78.1 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 155.5 | 168.2 | 64.4 | 0 | 0 | 0 | 0 | 112.2 | E753 N754 M755 S817 | S751-E753 PolarHBondContact O-N 3.31Å; S751-N754 PolarHBondContact O-N 3.11Å; S751-N754 PolarHBondContact OG-N 2.83Å; S751-M755 PolarHBondContact O-N 3.26Å; S751-M755 VanDerWaalsContact O-N 3.11Å; S751-S817 PolarHBondContact N-OG 2.71Å |
| 752 | V | 83.7 | Confident | 80.4 | Confident | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.236 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.1 | -39.8 | 170.9 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | F695 P744 I746 M755 L756 | F695-V752 HydrophobicContact CZ-CG1 4.25Å; P744-V752 HydrophobicContact CB-CG2 3.93Å; P744-V752 HydrophobicContact CG-CB 4.17Å; P744-V752 HydrophobicContact CG-CG2 3.83Å; P744-V752 WeakPolarHBondContact O-CG2 3.47Å; P744-V752 PolarHBondContact O-N 2.89Å; I746-V752 HydrophobicContact CD1-CG2 3.85Å; I746-V752 HydrophobicContact CG1-CG2 3.66Å; V752-M755 PolarHBondContact O-N 2.85Å; V752-L756 HydrophobicContact CG1-CD1 3.96Å; V752-L756 WeakPolarHBondContact O-CB 3.39Å; V752-L756 PolarHBondContact O-N 3.13Å |
| 753 | E | 82.1 | Confident | 82.1 | Confident | 45 Ų | 45 | 43 Ų | 43 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -56 | 177.8 | -172.4 | -164.3 | 161.5 | 0 | 0 | 112.2 | F695 S751 M755 L756 M757 | F695-E753 HydrophobicContact CB-CG 4.06Å; F695-E753 HydrophobicContact CD1-CB 3.73Å; F695-E753 HydrophobicContact CD1-CG 3.88Å; F695-E753 HydrophobicContact CD2-CB 4.45Å; F695-E753 HydrophobicContact CD2-CG 4.13Å; F695-E753 HydrophobicContact CE1-CB 3.77Å; F695-E753 HydrophobicContact CE1-CG 4.37Å; F695-E753 HydrophobicContact CE2-CB 4.49Å; F695-E753 HydrophobicContact CG-CB 4.08Å; F695-E753 HydrophobicContact CG-CG 3.75Å; F695-E753 HydrophobicContact CZ-CB 4.16Å; S751-E753 PolarHBondContact O-N 3.31Å; E753-M755 VanDerWaalsContact C-N 3.28Å; E753-M755 PolarHBondContact O-N 3.12Å; E753-L756 PolarHBondContact O-N 2.93Å; E753-L756 VanDerWaalsContact O-N 3.15Å; E753-M757 HydrophobicContact CG-CE 4.23Å; E753-M757 WeakPolarHBondContact O-CG 3.48Å; E753-M757 PolarHBondContact O-N 3.12Å |
| 754 | N | 83.5 | Confident | 83.4 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.032 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -34.4 | -179.6 | -88.9 | -34 | 0 | 0 | 0 | 111.8 | L750 S751 F758 L806 S817 P818 T820 | L750-N754 HydrophobicContact CD1-CB 4.3Å; S751-N754 PolarHBondContact O-N 3.11Å; S751-N754 PolarHBondContact OG-N 2.83Å; N754-F758 WeakPolarHBondContact O-CB 3.11Å; N754-F758 PolarHBondContact O-N 2.81Å; N754-L806 HydrophobicContact CB-CD1 3.77Å; N754-S817 PolarHBondContact ND2-OG 3.09Å; N754-P818 PolarHBondContact ND2-O 2.86Å; N754-T820 WeakPolarHBondContact OD1-CG2 2.94Å; N754-T820 PolarHBondContact OD1-OG1 3.45Å |
| 755 | M | 86.8 | Confident | 84.6 | Confident | 70 Ų | 70 | 39 Ų | 39 | 35% | 0.345 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64 | -47 | 173.2 | -172.3 | -171.4 | 69.5 | 0 | 0 | 111.8 | I746 L750 S751 V752 E753 F758 L759 | I746-M755 HydrophobicContact CD1-CB 4.31Å; I746-M755 HydrophobicContact CD1-CE 3.47Å; I746-M755 VanDerWaalsContact CD1-CE 3.47Å; I746-M755 HydrophobicContact CD1-CG 4.48Å; I746-M755 HydrophobicContact CD1-SD 3.39Å; I746-M755 WeakPolarHBondContact CD1-SD 3.46Å; L750-M755 HydrophobicContact CD1-CB 4.05Å; L750-M755 HydrophobicContact CG-CB 4.39Å; S751-M755 PolarHBondContact O-N 3.26Å; S751-M755 VanDerWaalsContact O-N 3.11Å; V752-M755 PolarHBondContact O-N 2.85Å; E753-M755 VanDerWaalsContact C-N 3.28Å; E753-M755 PolarHBondContact O-N 3.12Å; M755-F758 PolarHBondContact O-N 3.03Å; M755-L759 WeakPolarHBondContact O-CB 3.4Å; M755-L759 PolarHBondContact O-N 2.99Å |
| 756 | L | 87.6 | Confident | 85.4 | Confident | 60 Ų | 60 | 40.8 Ų | 40.8 | 31% | 0.314 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 178.2 | -93.7 | 161.5 | 0 | 0 | 0 | 112 | I691 V752 E753 L759 L760 | I691-L756 HydrophobicContact CD1-CB 4.28Å; I691-L756 HydrophobicContact CD1-CD2 4.16Å; V752-L756 HydrophobicContact CG1-CD1 3.96Å; V752-L756 WeakPolarHBondContact O-CB 3.39Å; V752-L756 PolarHBondContact O-N 3.13Å; E753-L756 PolarHBondContact O-N 2.93Å; E753-L756 VanDerWaalsContact O-N 3.15Å; L756-L759 PolarHBondContact O-N 2.93Å; L756-L760 HydrophobicContact CD2-CD1 4.49Å; L756-L760 WeakPolarHBondContact O-CB 3.43Å; L756-L760 WeakPolarHBondContact O-CG 3.01Å; L756-L760 PolarHBondContact O-N 2.86Å |
| 757 | M | 87.3 | Confident | 85.9 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.9 | -71 | -156.1 | -73.2 | 0 | 0 | 112 | I691 E753 A761 F822 | I691-M757 HydrophobicContact CG2-CG 4.4Å; E753-M757 HydrophobicContact CG-CE 4.23Å; E753-M757 WeakPolarHBondContact O-CG 3.48Å; E753-M757 PolarHBondContact O-N 3.12Å; M757-A761 WeakPolarHBondContact O-CB 3.37Å; M757-A761 PolarHBondContact O-N 3.11Å; M757-F822 HydrophobicContact CB-CB 3.9Å; M757-F822 HydrophobicContact CB-CD2 4.34Å; M757-F822 HydrophobicContact CB-CG 4.44Å |
| 758 | F | 89.1 | Confident | 86 | Confident | 76 Ų | 76 | 37.7 Ų | 37.7 | 33% | 0.333 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.6 | -47.9 | 174.7 | 170.9 | -108 | 0 | 0 | 0 | 112.2 | N754 M755 L760 A761 T762 Y799 V803 F822 | N754-F758 WeakPolarHBondContact O-CB 3.11Å; N754-F758 PolarHBondContact O-N 2.81Å; M755-F758 PolarHBondContact O-N 3.03Å; F758-L760 VanDerWaalsContact C-N 3.33Å; F758-L760 PolarHBondContact O-N 2.9Å; F758-A761 PolarHBondContact O-N 2.95Å; F758-T762 WeakPolarHBondContact O-CB 3.02Å; F758-T762 PolarHBondContact O-N 3.15Å; F758-T762 PolarHBondContact O-OG1 3.14Å; F758-Y799 WeakPolarHBondContact CE2-OH 3.3Å; F758-V803 HydrophobicContact CD2-CG2 4.13Å; F758-V803 HydrophobicContact CE2-CG2 3.89Å; F758-F822 HydrophobicContact CB-CD2 4.47Å; F758-F822 HydrophobicContact CB-CE1 4.39Å; F758-F822 HydrophobicContact CB-CE2 3.99Å; F758-F822 HydrophobicContact CB-CZ 3.95Å; F758-F822 AromaticContact CD2-CE1 3.84Å; F758-F822 HydrophobicContact CD2-CE1 3.84Å; F758-F822 AromaticContact CD2-CZ 3.7Å; F758-F822 HydrophobicContact CD2-CZ 3.7Å; F758-F822 HydrophobicContact CG-CZ 4.26Å |
| 759 | L | 90.8 | Very high | 86.6 | Confident | 110 Ų | 110 | 34.8 Ų | 34.8 | 58% | 0.576 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -66.7 | -33.1 | -175.5 | -161.1 | 152.5 | 0 | 0 | 0 | 112.3 | M755 L756 P763 | M755-L759 WeakPolarHBondContact O-CB 3.4Å; M755-L759 PolarHBondContact O-N 2.99Å; L756-L759 PolarHBondContact O-N 2.93Å; L759-P763 WeakPolarHBondContact O-CD 3.43Å |
| 760 | L | 89.6 | Confident | 87.2 | Confident | 24 Ų | 24 | 41.7 Ų | 41.7 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -85.1 | -31.4 | 175.8 | -68.5 | 166.7 | 0 | 0 | 0 | 113.9 | F684 P687 T688 I691 L756 F758 P763 I764 | F684-L760 HydrophobicContact CD1-CD2 3.97Å; P687-L760 HydrophobicContact CB-CD1 3.91Å; P687-L760 HydrophobicContact CB-CD2 4.35Å; T688-L760 HydrophobicContact CG2-CB 3.48Å; T688-L760 VanDerWaalsContact CG2-CB 3.48Å; T688-L760 HydrophobicContact CG2-CD1 4.15Å; T688-L760 HydrophobicContact CG2-CG 4.47Å; I691-L760 HydrophobicContact CD1-CD1 3.32Å; L756-L760 HydrophobicContact CD2-CD1 4.49Å; L756-L760 WeakPolarHBondContact O-CB 3.43Å; L756-L760 WeakPolarHBondContact O-CG 3.01Å; L756-L760 PolarHBondContact O-N 2.86Å; F758-L760 VanDerWaalsContact C-N 3.33Å; F758-L760 PolarHBondContact O-N 2.9Å; L760-P763 WeakPolarHBondContact O-CD 3.48Å; L760-I764 WeakPolarHBondContact O-CD1 3.31Å; L760-I764 WeakPolarHBondContact O-CG1 3.17Å |
| 761 | A | 88.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -73 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M757 F758 I764 Q765 Y799 F822 P826 | M757-A761 WeakPolarHBondContact O-CB 3.37Å; M757-A761 PolarHBondContact O-N 3.11Å; F758-A761 PolarHBondContact O-N 2.95Å; A761-I764 PolarHBondContact O-N 2.89Å; A761-Q765 PolarHBondContact O-N 3.38Å; A761-Y799 HydrophobicContact CB-CE2 4.42Å; A761-F822 HydrophobicContact CB-CD1 4.4Å; A761-P826 HydrophobicContact CB-CG 3.84Å |
| 762 | T | 91.9 | Very high | 87.3 | Confident | 32 Ų | 32 | 43.2 Ų | 43.2 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.2 | -48.4 | -175.6 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | F758 I764 Q765 I766 Y799 | F758-T762 WeakPolarHBondContact O-CB 3.02Å; F758-T762 PolarHBondContact O-N 3.15Å; F758-T762 PolarHBondContact O-OG1 3.14Å; T762-I764 VanDerWaalsContact C-N 3.34Å; T762-I764 PolarHBondContact O-N 2.66Å; T762-Q765 PolarHBondContact O-N 2.94Å; T762-I766 HydrophobicContact CG2-CD1 3.8Å; T762-I766 WeakPolarHBondContact O-CG1 3.33Å; T762-I766 PolarHBondContact O-N 2.77Å; T762-I766 VanDerWaalsContact O-N 3.07Å; T762-Y799 PolarHBondContact OG1-OH 2.77Å |
| 763 | P | 90 | Very high | 87.5 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 21% | 0.208 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | 176.6 | -23.7 | 34.7 | 0 | 0 | 0 | 113.2 | F680 L759 L760 I766 F767 | F680-P763 HydrophobicContact CE1-CB 4.42Å; L759-P763 WeakPolarHBondContact O-CD 3.43Å; L760-P763 WeakPolarHBondContact O-CD 3.48Å; P763-I766 PolarHBondContact O-N 3.42Å; P763-F767 HydrophobicContact CB-CD2 4.29Å; P763-F767 WeakPolarHBondContact O-CB 3.25Å; P763-F767 WeakPolarHBondContact O-CD2 3.42Å; P763-F767 PolarHBondContact O-N 2.72Å |
| 764 | I | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -65.9 | -44.6 | 178.9 | -53.7 | 167 | 0 | 0 | 0 | 109.7 | F684 A685 L760 A761 T762 I766 G768 G769 P826 L829 | F684-I764 HydrophobicContact CB-CD1 3.55Å; F684-I764 HydrophobicContact CB-CG1 3.54Å; F684-I764 HydrophobicContact CG-CG1 4.4Å; A685-I764 HydrophobicContact CB-CD1 4.03Å; L760-I764 WeakPolarHBondContact O-CD1 3.31Å; L760-I764 WeakPolarHBondContact O-CG1 3.17Å; A761-I764 PolarHBondContact O-N 2.89Å; T762-I764 VanDerWaalsContact C-N 3.34Å; T762-I764 PolarHBondContact O-N 2.66Å; I764-I766 PolarHBondContact O-N 3.36Å; I764-G768 CarbonylContact O-C 3.52Å; I764-G768 VanDerWaalsContact O-CA 3.22Å; I764-G768 WeakPolarHBondContact O-CA 3.48Å; I764-G768 PolarHBondContact O-N 2.84Å; I764-G769 PolarHBondContact O-N 3.25Å; I764-P826 HydrophobicContact CD1-CB 3.64Å; I764-P826 HydrophobicContact CD1-CG 3.85Å; I764-L829 HydrophobicContact CG2-CB 4.17Å; I764-L829 HydrophobicContact CG2-CD1 4Å |
| 765 | Q | 90.3 | Very high | 87.1 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -60.9 | -44.1 | 178.6 | -164.8 | 64.4 | 16.3 | 0 | 0 | 111.7 | A761 T762 Y773 Y799 S825 | A761-Q765 PolarHBondContact O-N 3.38Å; T762-Q765 PolarHBondContact O-N 2.94Å; Q765-Y773 PolarHBondContact NE2-OH 3.33Å; Q765-Y773 WeakPolarHBondContact O-CE2 3.25Å; Q765-Y799 HydrophobicContact CB-CD2 4.46Å; Q765-Y799 HydrophobicContact CG-CD1 4.39Å; Q765-Y799 HydrophobicContact CG-CD2 4.35Å; Q765-Y799 HydrophobicContact CG-CG 4.2Å; Q765-S825 PolarHBondContact OE1-OG 3.09Å |
| 766 | I | 89.7 | Confident | 86.9 | Confident | 97 Ų | 97 | 43.8 Ų | 43.8 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | I | π-helix | trans | -78.8 | -52.1 | -175.8 | -65 | 173.7 | 0 | 0 | 0 | 112 | T762 P763 I764 R770 | T762-I766 HydrophobicContact CG2-CD1 3.8Å; T762-I766 WeakPolarHBondContact O-CG1 3.33Å; T762-I766 PolarHBondContact O-N 2.77Å; T762-I766 VanDerWaalsContact O-N 3.07Å; P763-I766 PolarHBondContact O-N 3.42Å; I764-I766 PolarHBondContact O-N 3.36Å; I766-R770 WeakPolarHBondContact O-CB 3.36Å; I766-R770 PolarHBondContact O-N 3.25Å |
| 767 | F | 87.8 | Confident | 86.7 | Confident | 101 Ų | 101 | 49 Ų | 49 | 44% | 0.443 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -91.7 | -48.4 | -172 | -60.8 | -76.2 | 0 | 0 | 0 | 112.6 | F680 P763 R770 | F680-F767 HydrophobicContact CD1-CB 4.25Å; F680-F767 HydrophobicContact CE1-CB 3.61Å; F680-F767 HydrophobicContact CE1-CD2 4.35Å; F680-F767 HydrophobicContact CE1-CG 4.36Å; F680-F767 HydrophobicContact CZ-CB 3.84Å; F680-F767 HydrophobicContact CZ-CD2 4.07Å; F680-F767 HydrophobicContact CZ-CG 4.17Å; P763-F767 HydrophobicContact CB-CD2 4.29Å; P763-F767 WeakPolarHBondContact O-CB 3.25Å; P763-F767 WeakPolarHBondContact O-CD2 3.42Å; P763-F767 PolarHBondContact O-N 2.72Å; F767-R770 VanDerWaalsContact O-CB 3.25Å; F767-R770 WeakPolarHBondContact O-CB 3.35Å; F767-R770 PolarHBondContact O-N 3.42Å |
| 768 | G | 83.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -63.8 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | S677 I764 R770 | S677-G768 PolarHBondContact OG-O 3.19Å; I764-G768 CarbonylContact O-C 3.52Å; I764-G768 VanDerWaalsContact O-CA 3.22Å; I764-G768 WeakPolarHBondContact O-CA 3.48Å; I764-G768 PolarHBondContact O-N 2.84Å; G768-R770 VanDerWaalsContact C-N 3.3Å; G768-R770 PolarHBondContact O-N 3.16Å |
| 769 | G | 85.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | I764 Y771 F772 Y773 | I764-G769 PolarHBondContact O-N 3.25Å; G769-Y771 VanDerWaalsContact C-N 3.27Å; G769-Y771 PolarHBondContact O-N 2.69Å; G769-F772 WeakPolarHBondContact O-CB 3.44Å; G769-F772 PolarHBondContact O-N 2.83Å; G769-Y773 WeakPolarHBondContact O-CD2 3.2Å; G769-Y773 PolarHBondContact O-N 3.35Å; G769-Y773 VanDerWaalsContact O-N 3.1Å |
| 770 | R | 87.5 | Confident | 84.6 | Confident | 146 Ų | 146 | 47.5 Ų | 47.5 | 55% | 0.551 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -47.8 | -43.6 | -168.5 | -173.5 | 174.7 | 174.7 | -177.7 | -0.8 | 114.3 | I766 F767 G768 I774 | I766-R770 WeakPolarHBondContact O-CB 3.36Å; I766-R770 PolarHBondContact O-N 3.25Å; F767-R770 VanDerWaalsContact O-CB 3.25Å; F767-R770 WeakPolarHBondContact O-CB 3.35Å; F767-R770 PolarHBondContact O-N 3.42Å; G768-R770 VanDerWaalsContact C-N 3.3Å; G768-R770 PolarHBondContact O-N 3.16Å; R770-I774 HydrophobicContact CG-CD1 4.02Å; R770-I774 WeakPolarHBondContact O-CG1 3.4Å; R770-I774 PolarHBondContact O-N 3.39Å |
| 771 | Y | 82.2 | Confident | 83.9 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -40.7 | -178.1 | -58.9 | -51.2 | 0 | 0 | 0 | 112.2 | R673 G769 I774 H775 | R673-Y771 VanDerWaalsContact NH2-CD1 3.27Å; G769-Y771 VanDerWaalsContact C-N 3.27Å; G769-Y771 PolarHBondContact O-N 2.69Å; Y771-I774 PolarHBondContact O-N 2.82Å; Y771-H775 PolarHBondContact O-CD2 3.19Å; Y771-H775 VanDerWaalsContact O-CG 3.31Å; Y771-H775 PolarHBondContact O-N 3.01Å; Y771-H775 VanDerWaalsContact O-N 3.09Å |
| 772 | F | 85.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 175.5 | -59.8 | -76 | 0 | 0 | 0 | 111.7 | W674 G769 I774 H775 A776 V792 L829 V832 R836 | W674-F772 HydrophobicContact CE3-CZ 4.48Å; W674-F772 HydrophobicContact CH2-CD1 4.31Å; W674-F772 AromaticContact CH2-CE1 3.84Å; W674-F772 HydrophobicContact CH2-CE1 3.84Å; W674-F772 HydrophobicContact CH2-CE2 4.5Å; W674-F772 AromaticContact CH2-CZ 3.95Å; W674-F772 HydrophobicContact CH2-CZ 3.95Å; W674-F772 AromaticContact CZ3-CE1 3.88Å; W674-F772 HydrophobicContact CZ3-CE1 3.88Å; W674-F772 AromaticContact CZ3-CE2 3.87Å; W674-F772 HydrophobicContact CZ3-CE2 3.87Å; W674-F772 AromaticContact CZ3-CZ 3.49Å; W674-F772 HydrophobicContact CZ3-CZ 3.49Å; W674-F772 VanDerWaalsContact CZ3-CZ 3.49Å; G769-F772 WeakPolarHBondContact O-CB 3.44Å; G769-F772 PolarHBondContact O-N 2.83Å; F772-I774 PolarHBondContact O-N 3.32Å; F772-H775 PolarHBondContact O-N 3.5Å; F772-A776 WeakPolarHBondContact O-CB 3.33Å; F772-A776 PolarHBondContact O-N 3.08Å; F772-V792 HydrophobicContact CB-CG2 3.83Å; F772-L829 HydrophobicContact CD2-CD2 3.83Å; F772-L829 HydrophobicContact CE2-CD2 4.14Å; F772-V832 HydrophobicContact CD1-CG1 4.41Å; F772-V832 HydrophobicContact CE1-CG1 3.46Å; F772-V832 VanDerWaalsContact CE1-CG1 3.46Å; F772-V832 HydrophobicContact CZ-CB 4.26Å; F772-V832 HydrophobicContact CZ-CG1 3.55Å; F772-R836 HydrophobicContact CE1-CG 4.28Å; F772-R836 HydrophobicContact CZ-CG 4.48Å |
| 773 | Y | 87.8 | Confident | 81.8 | Confident | 78 Ų | 78 | 57 Ų | 57 | 31% | 0.306 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.2 | -46.8 | 175.1 | -80.5 | -78.6 | 0 | 0 | 0 | 112.8 | Q765 G769 H775 A776 Y777 V792 T796 | Q765-Y773 PolarHBondContact NE2-OH 3.33Å; Q765-Y773 WeakPolarHBondContact O-CE2 3.25Å; G769-Y773 WeakPolarHBondContact O-CD2 3.2Å; G769-Y773 PolarHBondContact O-N 3.35Å; G769-Y773 VanDerWaalsContact O-N 3.1Å; Y773-H775 VanDerWaalsContact C-N 3.29Å; Y773-H775 PolarHBondContact O-N 2.77Å; Y773-A776 PolarHBondContact O-N 3.44Å; Y773-Y777 VanDerWaalsContact O-CB 3.29Å; Y773-Y777 WeakPolarHBondContact O-CB 3.44Å; Y773-Y777 PolarHBondContact O-N 3.43Å; Y773-V792 HydrophobicContact CD1-CG1 3.63Å; Y773-V792 HydrophobicContact CD1-CG2 4.43Å; Y773-V792 HydrophobicContact CE1-CG1 3.72Å; Y773-V792 HydrophobicContact CG-CG1 4.43Å; Y773-V792 HydrophobicContact CG-CG2 4.45Å; Y773-T796 HydrophobicContact CE1-CG2 3.53Å; Y773-T796 WeakPolarHBondContact OH-CG2 3.41Å |
| 774 | I | 83.4 | Confident | 80.7 | Confident | 76 Ų | 76 | 57.7 Ų | 57.7 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 179.4 | -67.7 | 166.5 | 0 | 0 | 0 | 110.9 | R770 Y771 F772 K778 | R770-I774 HydrophobicContact CG-CD1 4.02Å; R770-I774 WeakPolarHBondContact O-CG1 3.4Å; R770-I774 PolarHBondContact O-N 3.39Å; Y771-I774 PolarHBondContact O-N 2.82Å; F772-I774 PolarHBondContact O-N 3.32Å; I774-K778 WeakPolarHBondContact O-CB 3.26Å; I774-K778 WeakPolarHBondContact O-CG 3.43Å; I774-K778 PolarHBondContact O-N 3.1Å |
| 775 | H | 74.8 | Confident | 79.9 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 5% | 0.051 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.6 | -47 | 177 | -70.8 | -162.3 | 0 | 0 | 0 | 112.3 | T518 Y771 F772 Y773 K778 S779 D788 | T518-H775 VanDerWaalsContact CB-NE2 3.26Å; T518-H775 WeakPolarHBondContact CB-NE2 3.49Å; T518-H775 PolarHBondContact OG1-CD2 3.35Å; T518-H775 PolarHBondContact OG1-NE2 2.99Å; Y771-H775 PolarHBondContact O-CD2 3.19Å; Y771-H775 VanDerWaalsContact O-CG 3.31Å; Y771-H775 PolarHBondContact O-N 3.01Å; Y771-H775 VanDerWaalsContact O-N 3.09Å; F772-H775 PolarHBondContact O-N 3.5Å; Y773-H775 VanDerWaalsContact C-N 3.29Å; Y773-H775 PolarHBondContact O-N 2.77Å; H775-K778 PolarHBondContact O-N 2.88Å; H775-S779 WeakPolarHBondContact O-CB 3.33Å; H775-S779 PolarHBondContact O-N 2.92Å; H775-D788 HydrophobicContact CB-CB 4.03Å; H775-D788 VanDerWaalsContact CB-OD2 3.28Å; H775-D788 WeakPolarHBondContact CB-OD2 3.41Å; H775-D788 IonicContact CG-OD2 2.79Å; H775-D788 IonicContact ND1-OD2 3.28Å; H775-D788 PolarHBondContact ND1-OD2 3.23Å |
| 776 | A | 82.5 | Confident | 79 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F772 Y773 K778 S779 L780 V789 V792 | F772-A776 WeakPolarHBondContact O-CB 3.33Å; F772-A776 PolarHBondContact O-N 3.08Å; Y773-A776 PolarHBondContact O-N 3.44Å; A776-K778 PolarHBondContact O-N 2.91Å; A776-S779 WeakPolarHBondContact O-CB 3.38Å; A776-S779 PolarHBondContact O-N 3.28Å; A776-L780 WeakPolarHBondContact O-CB 3.41Å; A776-L780 PolarHBondContact O-N 3.08Å; A776-V789 HydrophobicContact CB-CB 4.41Å; A776-V789 HydrophobicContact CB-CG2 3.96Å; A776-V792 HydrophobicContact CB-CB 3.87Å; A776-V792 HydrophobicContact CB-CG1 4.2Å; A776-V792 HydrophobicContact CB-CG2 3.72Å |
| 777 | Y | 83.2 | Confident | 78.2 | Confident | 169 Ų | 169 | 56 Ų | 56 | 66% | 0.663 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.3 | -43.7 | 178.2 | 178.1 | -109.1 | 0 | 0 | 0 | 112.6 | Y773 L780 K781 | Y773-Y777 VanDerWaalsContact O-CB 3.29Å; Y773-Y777 WeakPolarHBondContact O-CB 3.44Å; Y773-Y777 PolarHBondContact O-N 3.43Å; Y777-L780 PolarHBondContact O-N 3.4Å; Y777-K781 WeakPolarHBondContact O-CB 3.03Å; Y777-K781 PolarHBondContact O-N 2.86Å |
| 778 | K | 71.2 | Confident | 77.7 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.1 | -54.2 | 172 | -82.2 | -178 | 168.9 | -175 | 0 | 110.9 | G516 I774 H775 A776 L780 K781 H782 | G516-K778 PolarHBondContact O-NZ 3.04Å; I774-K778 WeakPolarHBondContact O-CB 3.26Å; I774-K778 WeakPolarHBondContact O-CG 3.43Å; I774-K778 PolarHBondContact O-N 3.1Å; H775-K778 PolarHBondContact O-N 2.88Å; A776-K778 PolarHBondContact O-N 2.91Å; K778-L780 VanDerWaalsContact C-N 3.3Å; K778-L780 PolarHBondContact O-N 3.18Å; K778-K781 WeakPolarHBondContact O-CB 3.28Å; K778-K781 PolarHBondContact O-N 2.83Å; K778-K781 VanDerWaalsContact O-N 3.15Å; K778-H782 PolarHBondContact O-N 3.17Å; K778-H782 PolarHBondContact O-ND1 2.8Å |
| 779 | S | 73.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.4 | -45 | -179.4 | -163.7 | 0 | 0 | 0 | 0 | 112.7 | H775 A776 H782 G783 I784 N786 | H775-S779 WeakPolarHBondContact O-CB 3.33Å; H775-S779 PolarHBondContact O-N 2.92Å; A776-S779 WeakPolarHBondContact O-CB 3.38Å; A776-S779 PolarHBondContact O-N 3.28Å; S779-H782 PolarHBondContact O-N 3.2Å; S779-G783 PolarHBondContact O-N 3.39Å; S779-I784 CarbonylContact C-O 3.6Å; S779-I784 PolarHBondContact O-N 3.21Å; S779-I784 VanDerWaalsContact O-O 3.07Å; S779-I784 PolarHBondContact OG-O 2.89Å; S779-N786 WeakPolarHBondContact OG-CB 3.42Å; S779-N786 PolarHBondContact OG-ND2 3.28Å; S779-N786 PolarHBondContact OG-OD1 3.46Å |
| 780 | L | 77.2 | Confident | 77.4 | Confident | 113 Ų | 113 | 51.7 Ų | 51.7 | 59% | 0.592 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | -179.9 | -144.1 | 78.2 | 0 | 0 | 0 | 111.6 | A776 Y777 K778 H782 G783 V789 | A776-L780 WeakPolarHBondContact O-CB 3.41Å; A776-L780 PolarHBondContact O-N 3.08Å; Y777-L780 PolarHBondContact O-N 3.4Å; K778-L780 VanDerWaalsContact C-N 3.3Å; K778-L780 PolarHBondContact O-N 3.18Å; L780-H782 PolarHBondContact O-N 3Å; L780-G783 PolarHBondContact O-N 3.21Å; L780-V789 HydrophobicContact CD1-CG1 3.86Å; L780-V789 HydrophobicContact CD1-CG2 4.3Å |
| 781 | K | 76.4 | Confident | 77.1 | Confident | 146 Ų | 146 | 44.9 Ų | 44.9 | 64% | 0.635 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -58.4 | -29.3 | 175.4 | -171.7 | -174.8 | 176.1 | -169.4 | 0 | 112.3 | Y777 K778 | Y777-K781 WeakPolarHBondContact O-CB 3.03Å; Y777-K781 PolarHBondContact O-N 2.86Å; K778-K781 WeakPolarHBondContact O-CB 3.28Å; K778-K781 PolarHBondContact O-N 2.83Å; K778-K781 VanDerWaalsContact O-N 3.15Å |
| 782 | H | 66.7 | Low | 77.4 | Confident | 41 Ų | 41 | 43 Ų | 43 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 2.4 | 178.9 | -61.2 | 128.6 | 0 | 0 | 0 | 114.7 | I525 L569 F571 K778 S779 L780 I784 | I525-H782 HydrophobicContact CD1-CB 3.31Å; I525-H782 HydrophobicContact CG1-CB 3.96Å; I525-H782 HydrophobicContact CG2-CB 4.04Å; L569-H782 PolarHBondContact O-CE1 2.82Å; L569-H782 CovalentContact O-NE2 1.75Å; L569-H782 PolarHBondContact O-NE2 2.84Å; F571-H782 AromaticContact CE1-CE1 3.67Å; F571-H782 AromaticContact CE2-CE1 3.24Å; F571-H782 WeakPolarHBondContact CE2-CE1 3.49Å; F571-H782 AromaticContact CE2-NE2 3.68Å; F571-H782 AromaticContact CZ-CE1 2.89Å; F571-H782 WeakPolarHBondContact CZ-CE1 3.42Å; K778-H782 PolarHBondContact O-N 3.17Å; K778-H782 PolarHBondContact O-ND1 2.8Å; S779-H782 PolarHBondContact O-N 3.2Å; L780-H782 PolarHBondContact O-N 3Å; H782-I784 PolarHBondContact O-N 3.21Å |
| 783 | G | 69.7 | Low | 77.6 | Confident | 71 Ų | 71 | 45.9 Ų | 45.9 | 73% | 0.732 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 18.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S779 L780 | S779-G783 PolarHBondContact O-N 3.39Å; L780-G783 PolarHBondContact O-N 3.21Å |
| 784 | I | 66.7 | Low | 77.4 | Confident | 46 Ų | 46 | 42.2 Ų | 42.2 | 24% | 0.236 | 22% | 0.223 | C | C | . | . | trans | -114.1 | 130.2 | 172.8 | -57.2 | -165.6 | 0 | 0 | 0 | 109.8 | I525 S779 H782 N786 | I525-I784 HydrophobicContact CD1-CD1 4.18Å; I525-I784 HydrophobicContact CD1-CG1 4.32Å; I525-I784 HydrophobicContact CG1-CD1 3.56Å; I525-I784 HydrophobicContact CG1-CG1 4.06Å; S779-I784 CarbonylContact C-O 3.6Å; S779-I784 PolarHBondContact O-N 3.21Å; S779-I784 VanDerWaalsContact O-O 3.07Å; S779-I784 PolarHBondContact OG-O 2.89Å; H782-I784 PolarHBondContact O-N 3.21Å; I784-N786 PolarHBondContact O-N 3.1Å | ||
| 785 | A | 72.2 | Confident | 77.7 | Confident | 29 Ų | 29 | 38.7 Ų | 38.7 | 24% | 0.24 | 21% | 0.205 | C | C | . | . | trans | -82.7 | 102.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1003 P1004 | A785-V1003 HydrophobicContact CB-CB 4.26Å; A785-V1003 HydrophobicContact CB-CG1 4Å; A785-P1004 HydrophobicContact CB-CG 4.03Å | ||
| 786 | N | 70.7 | Confident | 78.5 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.059 | 21% | 0.214 | C | C | . | . | trans | -86.5 | 161.1 | 177.1 | -86.2 | 5.4 | 0 | 0 | 0 | 113.5 | C519 S521 S779 I784 D788 V789 L790 | C519-N786 PolarHBondContact SG-ND2 3.49Å; S521-N786 WeakPolarHBondContact CB-ND2 3.32Å; S521-N786 WeakPolarHBondContact CB-OD1 3.48Å; S521-N786 PolarHBondContact OG-ND2 2.93Å; S521-N786 VanDerWaalsContact OG-ND2 3.16Å; S521-N786 PolarHBondContact OG-OD1 2.88Å; S779-N786 WeakPolarHBondContact OG-CB 3.42Å; S779-N786 PolarHBondContact OG-ND2 3.28Å; S779-N786 PolarHBondContact OG-OD1 3.46Å; I784-N786 PolarHBondContact O-N 3.1Å; N786-D788 VanDerWaalsContact C-N 3.28Å; N786-D788 PolarHBondContact O-N 3.2Å; N786-V789 HydrophobicContact CB-CG2 4.16Å; N786-V789 WeakPolarHBondContact O-CA 3.32Å; N786-V789 VanDerWaalsContact O-CB 3.24Å; N786-V789 WeakPolarHBondContact O-CB 3.33Å; N786-V789 PolarHBondContact O-N 3.22Å; N786-L790 PolarHBondContact O-N 3.28Å | ||
| 787 | M | 73.6 | Confident | 78.7 | Confident | 24 Ų | 24 | 43 Ų | 43 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.9 | -40.9 | 166.7 | -179.8 | 159 | -170.1 | 0 | 0 | 113.3 | V789 L790 I791 C1057 P1058 C1059 M1810 | M787-V789 PolarHBondContact O-N 2.87Å; M787-L790 WeakPolarHBondContact O-CB 3.29Å; M787-L790 PolarHBondContact O-N 3.38Å; M787-I791 HydrophobicContact CE-CD1 4.14Å; M787-I791 HydrophobicContact CG-CD1 3.94Å; M787-I791 PolarHBondContact O-N 2.97Å; M787-I791 VanDerWaalsContact O-N 3.16Å; M787-C1057 HydrophobicContact CE-CB 3.38Å; M787-P1058 HydrophobicContact SD-CG 3.98Å; M787-C1059 HydrophobicContact CE-CB 3.6Å; M787-C1059 VanDerWaalsContact CE-N 3.33Å; M787-C1059 WeakPolarHBondContact CE-SG 3.2Å; M787-C1059 WeakPolarHBondContact SD-CA 3.47Å; M787-C1059 HydrophobicContact SD-CB 3.99Å; M787-C1059 PolarHBondContact SD-N 2.94Å; M787-C1059 VanDerWaalsContact SD-SG 3.66Å; M787-M1810 HydrophobicContact CE-CE 3.39Å |
| 788 | D | 77.8 | Confident | 78.9 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -26.3 | 176.7 | -63.1 | -4.6 | 0 | 0 | 0 | 111.6 | H775 N786 V792 R836 | H775-D788 HydrophobicContact CB-CB 4.03Å; H775-D788 VanDerWaalsContact CB-OD2 3.28Å; H775-D788 WeakPolarHBondContact CB-OD2 3.41Å; H775-D788 IonicContact CG-OD2 2.79Å; H775-D788 IonicContact ND1-OD2 3.28Å; H775-D788 PolarHBondContact ND1-OD2 3.23Å; N786-D788 VanDerWaalsContact C-N 3.28Å; N786-D788 PolarHBondContact O-N 3.2Å; D788-V792 WeakPolarHBondContact O-CB 3.33Å; D788-V792 VanDerWaalsContact O-CG2 3.29Å; D788-V792 WeakPolarHBondContact O-CG2 3.43Å; D788-V792 PolarHBondContact O-N 3.31Å; D788-V792 VanDerWaalsContact O-N 3.12Å; D788-R836 IonicContact OD1-CZ 2.67Å; D788-R836 IonicContact OD1-NE 2.64Å; D788-R836 IonicContact OD1-NH2 3.27Å; D788-R836 PolarHBondContact OD1-NH2 3.34Å; D788-R836 IonicContact OD2-NH2 3.04Å |
| 789 | V | 82.8 | Confident | 79.8 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.6 | -45 | 172.6 | -179.5 | 0 | 0 | 0 | 0 | 111 | A776 L780 N786 M787 I791 V792 I793 | A776-V789 HydrophobicContact CB-CB 4.41Å; A776-V789 HydrophobicContact CB-CG2 3.96Å; L780-V789 HydrophobicContact CD1-CG1 3.86Å; L780-V789 HydrophobicContact CD1-CG2 4.3Å; N786-V789 HydrophobicContact CB-CG2 4.16Å; N786-V789 WeakPolarHBondContact O-CA 3.32Å; N786-V789 VanDerWaalsContact O-CB 3.24Å; N786-V789 WeakPolarHBondContact O-CB 3.33Å; N786-V789 PolarHBondContact O-N 3.22Å; M787-V789 PolarHBondContact O-N 2.87Å; V789-I791 VanDerWaalsContact C-N 3.32Å; V789-I791 PolarHBondContact O-N 2.87Å; V789-V792 PolarHBondContact O-N 3.15Å; V789-I793 HydrophobicContact CG1-CD1 3.7Å; V789-I793 HydrophobicContact CG1-CG1 4.22Å; V789-I793 VanDerWaalsContact O-CG1 3.3Å; V789-I793 WeakPolarHBondContact O-CG1 3.38Å; V789-I793 PolarHBondContact O-N 3.33Å |
| 790 | L | 81.2 | Confident | 80.5 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 178.5 | -175.3 | 62.3 | 0 | 0 | 0 | 111.6 | N786 M787 I793 A794 V1003 I1006 L1053 | N786-L790 PolarHBondContact O-N 3.28Å; M787-L790 WeakPolarHBondContact O-CB 3.29Å; M787-L790 PolarHBondContact O-N 3.38Å; L790-I793 PolarHBondContact O-N 3.25Å; L790-A794 WeakPolarHBondContact O-CB 3.45Å; L790-A794 PolarHBondContact O-N 3.32Å; L790-V1003 HydrophobicContact CB-CG1 4.16Å; L790-V1003 HydrophobicContact CD2-CG2 4.47Å; L790-I1006 HydrophobicContact CD1-CG2 4.21Å; L790-I1006 HydrophobicContact CD2-CD1 3.97Å; L790-L1053 HydrophobicContact CD1-CD1 3.45Å; L790-L1053 VanDerWaalsContact CD1-CD1 3.45Å; L790-L1053 HydrophobicContact CD1-CG 3.77Å |
| 791 | I | 80.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 176.3 | -64.8 | 152.4 | 0 | 0 | 0 | 111.1 | M787 V789 A794 T795 V832 | M787-I791 HydrophobicContact CE-CD1 4.14Å; M787-I791 HydrophobicContact CG-CD1 3.94Å; M787-I791 PolarHBondContact O-N 2.97Å; M787-I791 VanDerWaalsContact O-N 3.16Å; V789-I791 VanDerWaalsContact C-N 3.32Å; V789-I791 PolarHBondContact O-N 2.87Å; I791-A794 PolarHBondContact O-N 2.98Å; I791-T795 HydrophobicContact CG2-CG2 4.44Å; I791-T795 WeakPolarHBondContact O-CB 3.32Å; I791-T795 WeakPolarHBondContact O-CG2 3.29Å; I791-T795 PolarHBondContact O-N 2.63Å; I791-T795 PolarHBondContact O-OG1 2.91Å; I791-V832 HydrophobicContact CD1-CG1 3.71Å; I791-V832 HydrophobicContact CD1-CG2 4.32Å; I791-V832 HydrophobicContact CG1-CG2 4.36Å; I791-V832 HydrophobicContact CG2-CG2 4.38Å |
| 792 | V | 88.2 | Confident | 81.5 | Confident | 16 Ų | 16 | 28.7 Ų | 28.7 | 10% | 0.097 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 179 | 167.3 | 0 | 0 | 0 | 0 | 111.8 | F772 Y773 A776 D788 V789 T795 T796 | F772-V792 HydrophobicContact CB-CG2 3.83Å; Y773-V792 HydrophobicContact CD1-CG1 3.63Å; Y773-V792 HydrophobicContact CD1-CG2 4.43Å; Y773-V792 HydrophobicContact CE1-CG1 3.72Å; Y773-V792 HydrophobicContact CG-CG1 4.43Å; Y773-V792 HydrophobicContact CG-CG2 4.45Å; A776-V792 HydrophobicContact CB-CB 3.87Å; A776-V792 HydrophobicContact CB-CG1 4.2Å; A776-V792 HydrophobicContact CB-CG2 3.72Å; D788-V792 WeakPolarHBondContact O-CB 3.33Å; D788-V792 VanDerWaalsContact O-CG2 3.29Å; D788-V792 WeakPolarHBondContact O-CG2 3.43Å; D788-V792 PolarHBondContact O-N 3.31Å; D788-V792 VanDerWaalsContact O-N 3.12Å; V789-V792 PolarHBondContact O-N 3.15Å; V792-T795 WeakPolarHBondContact CA-OG1 3.35Å; V792-T795 PolarHBondContact O-OG1 3.42Å; V792-T796 HydrophobicContact CG1-CG2 4.3Å; V792-T796 VanDerWaalsContact O-CB 3.32Å; V792-T796 WeakPolarHBondContact O-CB 3.44Å; V792-T796 VanDerWaalsContact O-CG2 3.3Å; V792-T796 WeakPolarHBondContact O-CG2 3.49Å; V792-T796 PolarHBondContact O-N 2.95Å; V792-T796 PolarHBondContact O-OG1 2.84Å |
| 793 | I | 88.3 | Confident | 82.5 | Confident | 60 Ų | 60 | 28.7 Ų | 28.7 | 31% | 0.308 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.4 | -48.8 | 174.5 | -67.5 | 173.7 | 0 | 0 | 0 | 110.4 | V789 L790 T795 T796 I797 L1053 | V789-I793 HydrophobicContact CG1-CD1 3.7Å; V789-I793 HydrophobicContact CG1-CG1 4.22Å; V789-I793 VanDerWaalsContact O-CG1 3.3Å; V789-I793 WeakPolarHBondContact O-CG1 3.38Å; V789-I793 PolarHBondContact O-N 3.33Å; L790-I793 PolarHBondContact O-N 3.25Å; I793-T795 PolarHBondContact O-N 2.86Å; I793-T796 PolarHBondContact O-N 3.38Å; I793-T796 PolarHBondContact O-OG1 3.21Å; I793-T796 VanDerWaalsContact O-OG1 3.08Å; I793-I797 HydrophobicContact CG2-CD1 3.52Å; I793-I797 HydrophobicContact CG2-CG1 4.27Å; I793-I797 VanDerWaalsContact O-CB 3.31Å; I793-I797 WeakPolarHBondContact O-CB 3.38Å; I793-I797 VanDerWaalsContact O-CG1 3.24Å; I793-I797 WeakPolarHBondContact O-CG1 3.38Å; I793-I797 PolarHBondContact O-N 2.93Å; I793-L1053 HydrophobicContact CG2-CD2 3.96Å |
| 794 | A | 85.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | L790 I791 A798 L1053 T1054 | L790-A794 WeakPolarHBondContact O-CB 3.45Å; L790-A794 PolarHBondContact O-N 3.32Å; I791-A794 PolarHBondContact O-N 2.98Å; A794-A798 WeakPolarHBondContact O-CB 3.42Å; A794-A798 PolarHBondContact O-N 3.12Å; A794-A798 VanDerWaalsContact O-N 3.12Å; A794-L1053 HydrophobicContact CB-CD2 3.8Å; A794-L1053 HydrophobicContact CB-CG 4.23Å; A794-T1054 HydrophobicContact CB-CG2 4.02Å |
| 795 | T | 88.8 | Confident | 84.1 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.9 | -42.2 | 179.6 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | I791 V792 I793 Y799 S825 L828 L829 | I791-T795 HydrophobicContact CG2-CG2 4.44Å; I791-T795 WeakPolarHBondContact O-CB 3.32Å; I791-T795 WeakPolarHBondContact O-CG2 3.29Å; I791-T795 PolarHBondContact O-N 2.63Å; I791-T795 PolarHBondContact O-OG1 2.91Å; V792-T795 WeakPolarHBondContact CA-OG1 3.35Å; V792-T795 PolarHBondContact O-OG1 3.42Å; I793-T795 PolarHBondContact O-N 2.86Å; T795-Y799 VanDerWaalsContact O-CB 3.26Å; T795-Y799 WeakPolarHBondContact O-CB 3.41Å; T795-Y799 PolarHBondContact O-N 2.95Å; T795-Y799 VanDerWaalsContact O-N 3.14Å; T795-S825 WeakPolarHBondContact CA-OG 3.48Å; T795-S825 WeakPolarHBondContact CB-OG 3.13Å; T795-S825 WeakPolarHBondContact CG2-OG 3.36Å; T795-S825 PolarHBondContact O-OG 2.89Å; T795-L828 HydrophobicContact CG2-CB 3.81Å; T795-L828 HydrophobicContact CG2-CD1 3.84Å; T795-L828 HydrophobicContact CG2-CG 4.47Å; T795-L829 HydrophobicContact CG2-CD2 4.26Å; T795-L829 HydrophobicContact CG2-CG 4.14Å |
| 796 | T | 91.3 | Very high | 84.6 | Confident | 40 Ų | 40 | 26.6 Ų | 26.6 | 25% | 0.245 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 174.8 | 48 | 0 | 0 | 0 | 0 | 112.6 | Y773 V792 I793 Y799 L800 | Y773-T796 HydrophobicContact CE1-CG2 3.53Å; Y773-T796 WeakPolarHBondContact OH-CG2 3.41Å; V792-T796 HydrophobicContact CG1-CG2 4.3Å; V792-T796 VanDerWaalsContact O-CB 3.32Å; V792-T796 WeakPolarHBondContact O-CB 3.44Å; V792-T796 VanDerWaalsContact O-CG2 3.3Å; V792-T796 WeakPolarHBondContact O-CG2 3.49Å; V792-T796 PolarHBondContact O-N 2.95Å; V792-T796 PolarHBondContact O-OG1 2.84Å; I793-T796 PolarHBondContact O-N 3.38Å; I793-T796 PolarHBondContact O-OG1 3.21Å; I793-T796 VanDerWaalsContact O-OG1 3.08Å; T796-Y799 PolarHBondContact O-N 3.07Å; T796-L800 WeakPolarHBondContact O-CB 3.32Å; T796-L800 PolarHBondContact O-N 2.87Å |
| 797 | I | 88.1 | Confident | 85.3 | Confident | 66 Ų | 66 | 30.7 Ų | 30.7 | 34% | 0.338 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.5 | -46 | -177.5 | -70.9 | -179.9 | 0 | 0 | 0 | 111.1 | I793 Y801 F1046 I1050 | I793-I797 HydrophobicContact CG2-CD1 3.52Å; I793-I797 HydrophobicContact CG2-CG1 4.27Å; I793-I797 VanDerWaalsContact O-CB 3.31Å; I793-I797 WeakPolarHBondContact O-CB 3.38Å; I793-I797 VanDerWaalsContact O-CG1 3.24Å; I793-I797 WeakPolarHBondContact O-CG1 3.38Å; I793-I797 PolarHBondContact O-N 2.93Å; I797-Y801 VanDerWaalsContact O-CB 3.27Å; I797-Y801 WeakPolarHBondContact O-CB 3.42Å; I797-Y801 PolarHBondContact O-N 2.85Å; I797-F1046 HydrophobicContact CG2-CE1 3.95Å; I797-F1046 HydrophobicContact CG2-CE2 3.97Å; I797-F1046 HydrophobicContact CG2-CZ 3.3Å; I797-I1050 HydrophobicContact CG2-CD1 4.25Å; I797-I1050 HydrophobicContact CG2-CG1 4.34Å |
| 798 | A | 85.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A794 S802 T824 I1050 | A794-A798 WeakPolarHBondContact O-CB 3.42Å; A794-A798 PolarHBondContact O-N 3.12Å; A794-A798 VanDerWaalsContact O-N 3.12Å; A798-S802 WeakPolarHBondContact O-CB 3.32Å; A798-S802 PolarHBondContact O-N 3.37Å; A798-S802 PolarHBondContact O-OG 2.88Å; A798-T824 HydrophobicContact CB-CG2 4.18Å; A798-I1050 HydrophobicContact CB-CD1 4Å |
| 799 | Y | 90.2 | Very high | 85.9 | Confident | 41 Ų | 41 | 32.9 Ų | 32.9 | 16% | 0.161 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -47.6 | 178.7 | 178.3 | -92.7 | 0 | 0 | 0 | 112.2 | F758 A761 T762 Q765 T795 T796 S802 V803 F822 | F758-Y799 WeakPolarHBondContact CE2-OH 3.3Å; A761-Y799 HydrophobicContact CB-CE2 4.42Å; T762-Y799 PolarHBondContact OG1-OH 2.77Å; Q765-Y799 HydrophobicContact CB-CD2 4.46Å; Q765-Y799 HydrophobicContact CG-CD1 4.39Å; Q765-Y799 HydrophobicContact CG-CD2 4.35Å; Q765-Y799 HydrophobicContact CG-CG 4.2Å; T795-Y799 VanDerWaalsContact O-CB 3.26Å; T795-Y799 WeakPolarHBondContact O-CB 3.41Å; T795-Y799 PolarHBondContact O-N 2.95Å; T795-Y799 VanDerWaalsContact O-N 3.14Å; T796-Y799 PolarHBondContact O-N 3.07Å; Y799-S802 WeakPolarHBondContact O-CB 3.22Å; Y799-S802 PolarHBondContact O-N 2.93Å; Y799-V803 HydrophobicContact CD1-CG2 4.3Å; Y799-V803 HydrophobicContact CE1-CG2 3.83Å; Y799-V803 WeakPolarHBondContact O-CG2 3.49Å; Y799-V803 PolarHBondContact O-N 3.16Å; Y799-F822 HydrophobicContact CD2-CD1 4.06Å; Y799-F822 HydrophobicContact CD2-CE1 4.06Å; Y799-F822 HydrophobicContact CE2-CD1 4.27Å; Y799-F822 HydrophobicContact CE2-CE1 4.01Å |
| 800 | L | 90 | Very high | 85.9 | Confident | 109 Ų | 109 | 35.1 Ų | 35.1 | 57% | 0.571 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -70 | -36.5 | -175.2 | -167 | 150.3 | 0 | 0 | 0 | 111.8 | T796 V803 V804 | T796-L800 WeakPolarHBondContact O-CB 3.32Å; T796-L800 PolarHBondContact O-N 2.87Å; L800-V803 PolarHBondContact O-N 2.93Å; L800-V804 HydrophobicContact CD2-CG2 3.82Å; L800-V804 WeakPolarHBondContact O-CB 3.48Å; L800-V804 VanDerWaalsContact O-CG2 3.29Å; L800-V804 WeakPolarHBondContact O-CG2 3.39Å; L800-V804 PolarHBondContact O-N 3.2Å |
| 801 | Y | 85.5 | Confident | 86.1 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 11% | 0.114 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57 | -48.8 | 168.6 | 173 | -103.4 | 0 | 0 | 0 | 111.9 | I797 V803 V804 I805 V821 D1043 F1046 | I797-Y801 VanDerWaalsContact O-CB 3.27Å; I797-Y801 WeakPolarHBondContact O-CB 3.42Å; I797-Y801 PolarHBondContact O-N 2.85Å; Y801-V803 VanDerWaalsContact C-N 3.31Å; Y801-V803 PolarHBondContact O-N 2.91Å; Y801-V804 PolarHBondContact O-N 3.48Å; Y801-V804 VanDerWaalsContact O-N 3.13Å; Y801-I805 HydrophobicContact CE1-CG2 4.48Å; Y801-I805 HydrophobicContact CE2-CD1 4.37Å; Y801-I805 WeakPolarHBondContact O-CG2 3.39Å; Y801-I805 PolarHBondContact O-N 3.36Å; Y801-V821 HydrophobicContact CD1-CG2 3.93Å; Y801-V821 HydrophobicContact CE1-CG2 3.88Å; Y801-D1043 WeakPolarHBondContact OH-CB 3.47Å; Y801-D1043 PolarHBondContact OH-OD1 3.26Å; Y801-F1046 AromaticContact CD1-CD1 3.93Å; Y801-F1046 HydrophobicContact CD1-CD1 3.93Å; Y801-F1046 AromaticContact CD1-CE1 3.77Å; Y801-F1046 HydrophobicContact CD1-CE1 3.77Å; Y801-F1046 AromaticContact CD2-CD1 3.77Å; Y801-F1046 HydrophobicContact CD2-CD1 3.77Å; Y801-F1046 AromaticContact CD2-CE1 3.52Å; Y801-F1046 HydrophobicContact CD2-CE1 3.52Å; Y801-F1046 HydrophobicContact CD2-CE2 4.34Å; Y801-F1046 HydrophobicContact CD2-CG 4.27Å; Y801-F1046 AromaticContact CD2-CZ 3.81Å; Y801-F1046 HydrophobicContact CD2-CZ 3.81Å; Y801-F1046 HydrophobicContact CE1-CD1 4.17Å; Y801-F1046 HydrophobicContact CE1-CE1 4.46Å; Y801-F1046 HydrophobicContact CE2-CD1 4.03Å; Y801-F1046 HydrophobicContact CE2-CE1 4.26Å; Y801-F1046 HydrophobicContact CE2-CG 4.3Å; Y801-F1046 AromaticContact CG-CD1 3.71Å; Y801-F1046 HydrophobicContact CG-CD1 3.71Å; Y801-F1046 AromaticContact CG-CE1 3.23Å; Y801-F1046 HydrophobicContact CG-CE1 3.23Å; Y801-F1046 AromaticContact CG-CZ 3.82Å; Y801-F1046 HydrophobicContact CG-CZ 3.82Å |
| 802 | S | 87.4 | Confident | 86 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61 | -38.9 | -179.5 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | A798 Y799 L806 V821 F822 | A798-S802 WeakPolarHBondContact O-CB 3.32Å; A798-S802 PolarHBondContact O-N 3.37Å; A798-S802 PolarHBondContact O-OG 2.88Å; Y799-S802 WeakPolarHBondContact O-CB 3.22Å; Y799-S802 PolarHBondContact O-N 2.93Å; S802-L806 VanDerWaalsContact O-CB 3.25Å; S802-L806 WeakPolarHBondContact O-CB 3.44Å; S802-L806 PolarHBondContact O-N 3.4Å; S802-V821 VanDerWaalsContact OG-C 3.25Å; S802-V821 WeakPolarHBondContact OG-CA 3.32Å; S802-V821 PolarHBondContact OG-N 3.26Å; S802-F822 VanDerWaalsContact C-CZ 3.49Å; S802-F822 VanDerWaalsContact CB-CE1 3.43Å; S802-F822 PolarHBondContact OG-N 2.97Å |
| 803 | V | 89.4 | Confident | 85.6 | Confident | 41 Ų | 41 | 54.2 Ų | 54.2 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 171.8 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | F758 Y799 L800 Y801 L807 F822 | F758-V803 HydrophobicContact CD2-CG2 4.13Å; F758-V803 HydrophobicContact CE2-CG2 3.89Å; Y799-V803 HydrophobicContact CD1-CG2 4.3Å; Y799-V803 HydrophobicContact CE1-CG2 3.83Å; Y799-V803 WeakPolarHBondContact O-CG2 3.49Å; Y799-V803 PolarHBondContact O-N 3.16Å; L800-V803 PolarHBondContact O-N 2.93Å; Y801-V803 VanDerWaalsContact C-N 3.31Å; Y801-V803 PolarHBondContact O-N 2.91Å; V803-L807 VanDerWaalsContact O-CB 3.31Å; V803-L807 WeakPolarHBondContact O-CB 3.48Å; V803-L807 PolarHBondContact O-N 2.88Å; V803-F822 HydrophobicContact CG2-CE1 3.8Å; V803-F822 HydrophobicContact CG2-CZ 3.89Å |
| 804 | V | 87.4 | Confident | 84.8 | Confident | 67 Ų | 67 | 55.3 Ų | 55.3 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | -175.8 | 166.9 | 0 | 0 | 0 | 0 | 111.9 | L800 Y801 L806 L807 I808 | L800-V804 HydrophobicContact CD2-CG2 3.82Å; L800-V804 WeakPolarHBondContact O-CB 3.48Å; L800-V804 VanDerWaalsContact O-CG2 3.29Å; L800-V804 WeakPolarHBondContact O-CG2 3.39Å; L800-V804 PolarHBondContact O-N 3.2Å; Y801-V804 PolarHBondContact O-N 3.48Å; Y801-V804 VanDerWaalsContact O-N 3.13Å; V804-L806 VanDerWaalsContact C-N 3.34Å; V804-L806 PolarHBondContact O-N 3.39Å; V804-L807 PolarHBondContact O-N 3.42Å; V804-I808 HydrophobicContact CG1-CD1 3.76Å; V804-I808 HydrophobicContact CG1-CG1 4.47Å; V804-I808 VanDerWaalsContact O-CG1 3.3Å; V804-I808 WeakPolarHBondContact O-CG1 3.33Å; V804-I808 PolarHBondContact O-N 3.37Å |
| 805 | I | 81.6 | Confident | 83.8 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.8 | -34.7 | -179.1 | -160 | 165.6 | 0 | 0 | 0 | 112.1 | Y801 A809 P818 T820 | Y801-I805 HydrophobicContact CE1-CG2 4.48Å; Y801-I805 HydrophobicContact CE2-CD1 4.37Å; Y801-I805 WeakPolarHBondContact O-CG2 3.39Å; Y801-I805 PolarHBondContact O-N 3.36Å; I805-A809 WeakPolarHBondContact O-CB 3.39Å; I805-A809 PolarHBondContact O-N 3.2Å; I805-P818 HydrophobicContact CD1-CB 4.4Å; I805-P818 HydrophobicContact CG1-CB 4.17Å; I805-P818 HydrophobicContact CG1-CG 4.39Å; I805-P818 HydrophobicContact CG2-CG 4.33Å; I805-T820 HydrophobicContact CG2-CG2 4.46Å |
| 806 | L | 83.3 | Confident | 82.8 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 171.5 | -167.8 | 91.2 | 0 | 0 | 0 | 111.4 | L750 N754 S802 V804 A809 I810 T820 | L750-L806 HydrophobicContact CD1-CD1 3.84Å; L750-L806 HydrophobicContact CD1-CD2 4.08Å; L750-L806 HydrophobicContact CD1-CG 4.28Å; N754-L806 HydrophobicContact CB-CD1 3.77Å; S802-L806 VanDerWaalsContact O-CB 3.25Å; S802-L806 WeakPolarHBondContact O-CB 3.44Å; S802-L806 PolarHBondContact O-N 3.4Å; V804-L806 VanDerWaalsContact C-N 3.34Å; V804-L806 PolarHBondContact O-N 3.39Å; L806-A809 PolarHBondContact O-N 3.07Å; L806-I810 HydrophobicContact CD2-CD1 4.28Å; L806-I810 HydrophobicContact CG-CD1 4.14Å; L806-I810 VanDerWaalsContact O-CG1 3.31Å; L806-I810 WeakPolarHBondContact O-CG1 3.33Å; L806-I810 PolarHBondContact O-N 2.83Å; L806-T820 HydrophobicContact CD1-CG2 4.28Å |
| 807 | L | 85.7 | Confident | 81.7 | Confident | 96 Ų | 96 | 67.7 Ų | 67.7 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 179.9 | -161.9 | 156.8 | 0 | 0 | 0 | 111.2 | V803 V804 I810 L811 | V803-L807 VanDerWaalsContact O-CB 3.31Å; V803-L807 WeakPolarHBondContact O-CB 3.48Å; V803-L807 PolarHBondContact O-N 2.88Å; V804-L807 PolarHBondContact O-N 3.42Å; L807-I810 PolarHBondContact O-N 3.25Å; L807-L811 HydrophobicContact CD2-CD1 3.59Å; L807-L811 HydrophobicContact CD2-CG 4.05Å; L807-L811 WeakPolarHBondContact O-CG 3.24Å; L807-L811 PolarHBondContact O-N 2.93Å |
| 808 | I | 82.4 | Confident | 80.9 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 171.5 | -70.2 | 167.2 | 0 | 0 | 0 | 111.3 | V804 I810 L811 N812 W814 | V804-I808 HydrophobicContact CG1-CD1 3.76Å; V804-I808 HydrophobicContact CG1-CG1 4.47Å; V804-I808 VanDerWaalsContact O-CG1 3.3Å; V804-I808 WeakPolarHBondContact O-CG1 3.33Å; V804-I808 PolarHBondContact O-N 3.37Å; I808-I810 VanDerWaalsContact C-N 3.34Å; I808-I810 PolarHBondContact O-N 3Å; I808-L811 PolarHBondContact O-N 3.14Å; I808-N812 WeakPolarHBondContact CG2-ND2 3.42Å; I808-N812 WeakPolarHBondContact O-CB 3.4Å; I808-N812 PolarHBondContact O-N 2.81Å; I808-N812 PolarHBondContact O-ND2 3.04Å; I808-W814 HydrophobicContact CG2-CH2 4.28Å; I808-W814 HydrophobicContact CG2-CZ2 4.21Å |
| 809 | A | 80.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -34.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I805 L806 R813 W814 P818 | I805-A809 WeakPolarHBondContact O-CB 3.39Å; I805-A809 PolarHBondContact O-N 3.2Å; L806-A809 PolarHBondContact O-N 3.07Å; A809-R813 WeakPolarHBondContact O-CA 3.46Å; A809-R813 PolarHBondContact O-N 2.64Å; A809-W814 HydrophobicContact CB-CB 4.43Å; A809-W814 HydrophobicContact CB-CD2 3.9Å; A809-W814 HydrophobicContact CB-CE3 3.45Å; A809-W814 VanDerWaalsContact CB-CE3 3.45Å; A809-W814 HydrophobicContact CB-CG 4.33Å; A809-W814 HydrophobicContact CB-CZ3 3.99Å; A809-W814 PolarHBondContact O-N 2.76Å; A809-P818 HydrophobicContact CB-CG 3.79Å |
| 810 | I | 83 | Confident | 79.8 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 29% | 0.292 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71 | -46 | 174.5 | -68.4 | 163.7 | 0 | 0 | 0 | 110.9 | L750 L806 L807 I808 N812 R813 | L750-I810 HydrophobicContact CB-CD1 4.27Å; L750-I810 HydrophobicContact CB-CG1 4.26Å; L750-I810 HydrophobicContact CD2-CD1 4.48Å; L806-I810 HydrophobicContact CD2-CD1 4.28Å; L806-I810 HydrophobicContact CG-CD1 4.14Å; L806-I810 VanDerWaalsContact O-CG1 3.31Å; L806-I810 WeakPolarHBondContact O-CG1 3.33Å; L806-I810 PolarHBondContact O-N 2.83Å; L807-I810 PolarHBondContact O-N 3.25Å; I808-I810 VanDerWaalsContact C-N 3.34Å; I808-I810 PolarHBondContact O-N 3Å; I810-N812 VanDerWaalsContact C-N 3.33Å; I810-N812 PolarHBondContact O-N 2.88Å; I810-R813 PolarHBondContact O-N 2.73Å |
| 811 | L | 85.1 | Confident | 79.2 | Confident | 128 Ų | 128 | 67.3 Ų | 67.3 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.5 | -43.4 | 176.4 | -75.3 | 174.9 | 0 | 0 | 0 | 111.9 | L807 I808 R813 | L807-L811 HydrophobicContact CD2-CD1 3.59Å; L807-L811 HydrophobicContact CD2-CG 4.05Å; L807-L811 WeakPolarHBondContact O-CG 3.24Å; L807-L811 PolarHBondContact O-N 2.93Å; I808-L811 PolarHBondContact O-N 3.14Å; L811-R813 VanDerWaalsContact C-N 3.32Å |
| 812 | N | 80.3 | Confident | 79.2 | Confident | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.3 | 179.2 | -65 | -31.8 | 0 | 0 | 0 | 113.9 | I808 I810 W814 | I808-N812 WeakPolarHBondContact CG2-ND2 3.42Å; I808-N812 WeakPolarHBondContact O-CB 3.4Å; I808-N812 PolarHBondContact O-N 2.81Å; I808-N812 PolarHBondContact O-ND2 3.04Å; I810-N812 VanDerWaalsContact C-N 3.33Å; I810-N812 PolarHBondContact O-N 2.88Å; N812-W814 VanDerWaalsContact CB-NE1 3.31Å; N812-W814 PolarHBondContact O-N 3.09Å |
| 813 | R | 78.4 | Confident | 78.9 | Confident | 191 Ų | 191 | 67.1 Ų | 67.1 | 72% | 0.721 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 47.7 | 178.4 | -61.8 | -174.9 | 175.5 | -166.7 | -1.1 | 114.6 | P748 A809 I810 L811 | P748-R813 HydrophobicContact CB-CB 4.05Å; P748-R813 HydrophobicContact CG-CB 4.19Å; P748-R813 HydrophobicContact CG-CG 4.24Å; A809-R813 WeakPolarHBondContact O-CA 3.46Å; A809-R813 PolarHBondContact O-N 2.64Å; I810-R813 PolarHBondContact O-N 2.73Å; L811-R813 VanDerWaalsContact C-N 3.32Å |
| 814 | W | 71.2 | Confident | 78.4 | Confident | 82 Ų | 82 | 65.1 Ų | 65.1 | 31% | 0.311 | 31% | 0.307 | S | S | . | . | trans | -61.9 | 138.9 | -179 | -66.7 | -9 | 0 | 0 | 0 | 112.2 | P748 G749 I808 A809 N812 H816 P818 L1039 | P748-W814 CarbonylContact C-O 3.58Å; G749-W814 WeakPolarHBondContact CA-O 3.41Å; G749-W814 PolarHBondContact N-O 2.82Å; I808-W814 HydrophobicContact CG2-CH2 4.28Å; I808-W814 HydrophobicContact CG2-CZ2 4.21Å; A809-W814 HydrophobicContact CB-CB 4.43Å; A809-W814 HydrophobicContact CB-CD2 3.9Å; A809-W814 HydrophobicContact CB-CE3 3.45Å; A809-W814 VanDerWaalsContact CB-CE3 3.45Å; A809-W814 HydrophobicContact CB-CG 4.33Å; A809-W814 HydrophobicContact CB-CZ3 3.99Å; A809-W814 PolarHBondContact O-N 2.76Å; N812-W814 VanDerWaalsContact CB-NE1 3.31Å; N812-W814 PolarHBondContact O-N 3.09Å; W814-H816 VanDerWaalsContact C-N 3.27Å; W814-H816 PolarHBondContact O-N 3.28Å; W814-P818 HydrophobicContact CZ3-CB 4.28Å; W814-L1039 HydrophobicContact CH2-CD2 3.92Å | ||
| 815 | Q | 65.2 | Low | 78.4 | Confident | 168 Ų | 168 | 62 Ų | 62 | 79% | 0.785 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -68.8 | -25.7 | -176.5 | -69.1 | -173.4 | -10.4 | 0 | 0 | 113.3 | ||
| 816 | H | 66.7 | Low | 78.5 | Confident | 111 Ų | 111 | 61.1 Ų | 61.1 | 51% | 0.514 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -117.7 | 149 | 171.3 | -61.3 | -62.8 | 0 | 0 | 0 | 110.5 | W814 | W814-H816 VanDerWaalsContact C-N 3.27Å; W814-H816 PolarHBondContact O-N 3.28Å |
| 817 | S | 68.7 | Low | 78.4 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | trans | -78.4 | 140.1 | 177.9 | -152.8 | 0 | 0 | 0 | 0 | 110.4 | G749 S751 N754 | G749-S817 WeakPolarHBondContact O-CA 3.47Å; G749-S817 WeakPolarHBondContact O-CB 3.37Å; G749-S817 PolarHBondContact O-OG 2.82Å; S751-S817 PolarHBondContact N-OG 2.71Å; N754-S817 PolarHBondContact ND2-OG 3.09Å | ||
| 818 | P | 71.4 | Confident | 78.2 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | trans | -68.8 | 153.9 | -179.1 | 28.9 | -36 | 0 | 0 | 0 | 112 | N754 I805 A809 W814 T820 | N754-P818 PolarHBondContact ND2-O 2.86Å; I805-P818 HydrophobicContact CD1-CB 4.4Å; I805-P818 HydrophobicContact CG1-CB 4.17Å; I805-P818 HydrophobicContact CG1-CG 4.39Å; I805-P818 HydrophobicContact CG2-CG 4.33Å; A809-P818 HydrophobicContact CB-CG 3.79Å; W814-P818 HydrophobicContact CZ3-CB 4.28Å; P818-T820 PolarHBondContact O-N 2.81Å; P818-T820 VanDerWaalsContact O-N 3.11Å | ||
| 819 | R | 71.5 | Confident | 78.3 | Confident | 179 Ų | 179 | 53.1 Ų | 53.1 | 68% | 0.675 | 24% | 0.242 | S | C | * | . | trans | -68.2 | 104.7 | 168.8 | -75.6 | -174.1 | 170.2 | -176.3 | -1.7 | 109.9 | R1047 | R819-R1047 PolarHBondContact O-NH2 2.88Š| ||
| 820 | T | 81.1 | Confident | 78.6 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | trans | -80 | -173.5 | 174.7 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | N754 I805 L806 P818 F822 | N754-T820 WeakPolarHBondContact OD1-CG2 2.94Å; N754-T820 PolarHBondContact OD1-OG1 3.45Å; I805-T820 HydrophobicContact CG2-CG2 4.46Å; L806-T820 HydrophobicContact CD1-CG2 4.28Å; P818-T820 PolarHBondContact O-N 2.81Å; P818-T820 VanDerWaalsContact O-N 3.11Å; T820-F822 HydrophobicContact CG2-CD2 3.94Å; T820-F822 HydrophobicContact CG2-CE2 3.87Å; T820-F822 WeakPolarHBondContact OG1-CD2 3.19Å | ||
| 821 | V | 78.5 | Confident | 78.4 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | trans | -139 | 35.5 | 177.1 | -157.1 | 0 | 0 | 0 | 0 | 109.4 | Y801 S802 E823 | Y801-V821 HydrophobicContact CD1-CG2 3.93Å; Y801-V821 HydrophobicContact CE1-CG2 3.88Å; S802-V821 VanDerWaalsContact OG-C 3.25Å; S802-V821 WeakPolarHBondContact OG-CA 3.32Å; S802-V821 PolarHBondContact OG-N 3.26Å; V821-E823 VanDerWaalsContact C-N 3.34Å; V821-E823 VanDerWaalsContact CA-OE2 3.25Å; V821-E823 WeakPolarHBondContact CA-OE2 3.47Å; V821-E823 WeakPolarHBondContact CG1-OE1 3.38Å; V821-E823 PolarHBondContact O-N 2.93Å | ||
| 822 | F | 84 | Confident | 78 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.7 | -173.6 | -84.8 | -57.8 | 0 | 0 | 0 | 113.2 | M757 F758 A761 Y799 S802 V803 T820 P826 | M757-F822 HydrophobicContact CB-CB 3.9Å; M757-F822 HydrophobicContact CB-CD2 4.34Å; M757-F822 HydrophobicContact CB-CG 4.44Å; F758-F822 HydrophobicContact CB-CD2 4.47Å; F758-F822 HydrophobicContact CB-CE1 4.39Å; F758-F822 HydrophobicContact CB-CE2 3.99Å; F758-F822 HydrophobicContact CB-CZ 3.95Å; F758-F822 AromaticContact CD2-CE1 3.84Å; F758-F822 HydrophobicContact CD2-CE1 3.84Å; F758-F822 AromaticContact CD2-CZ 3.7Å; F758-F822 HydrophobicContact CD2-CZ 3.7Å; F758-F822 HydrophobicContact CG-CZ 4.26Å; A761-F822 HydrophobicContact CB-CD1 4.4Å; Y799-F822 HydrophobicContact CD2-CD1 4.06Å; Y799-F822 HydrophobicContact CD2-CE1 4.06Å; Y799-F822 HydrophobicContact CE2-CD1 4.27Å; Y799-F822 HydrophobicContact CE2-CE1 4.01Å; S802-F822 VanDerWaalsContact C-CZ 3.49Å; S802-F822 VanDerWaalsContact CB-CE1 3.43Å; S802-F822 PolarHBondContact OG-N 2.97Å; V803-F822 HydrophobicContact CG2-CE1 3.8Å; V803-F822 HydrophobicContact CG2-CZ 3.89Å; T820-F822 HydrophobicContact CG2-CD2 3.94Å; T820-F822 HydrophobicContact CG2-CE2 3.87Å; T820-F822 WeakPolarHBondContact OG1-CD2 3.19Å; F822-P826 WeakPolarHBondContact O-CD 3.4Å |
| 823 | E | 81 | Confident | 78 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -29.9 | -178.6 | 74.9 | -49.5 | 123 | 0 | 0 | 113.9 | M692 V821 S825 P826 M827 | M692-E823 HydrophobicContact SD-CB 4.35Å; M692-E823 HydrophobicContact SD-CG 3.96Å; V821-E823 VanDerWaalsContact C-N 3.34Å; V821-E823 VanDerWaalsContact CA-OE2 3.25Å; V821-E823 WeakPolarHBondContact CA-OE2 3.47Å; V821-E823 WeakPolarHBondContact CG1-OE1 3.38Å; V821-E823 PolarHBondContact O-N 2.93Å; E823-S825 VanDerWaalsContact C-N 3.34Å; E823-S825 PolarHBondContact O-N 2.92Å; E823-P826 WeakPolarHBondContact O-CD 3.47Å; E823-M827 WeakPolarHBondContact O-CG 3.49Å; E823-M827 PolarHBondContact O-N 3.09Å |
| 824 | T | 80.2 | Confident | 78 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.7 | -37.6 | -176.3 | -75.7 | 0 | 0 | 0 | 0 | 112.2 | A798 L828 I1050 P1803 | A798-T824 HydrophobicContact CB-CG2 4.18Å; T824-L828 HydrophobicContact CG2-CD1 3.76Å; T824-L828 WeakPolarHBondContact O-CB 3.22Å; T824-L828 WeakPolarHBondContact O-CD1 3.27Å; T824-L828 VanDerWaalsContact O-CG 3.31Å; T824-L828 WeakPolarHBondContact O-CG 3.43Å; T824-L828 PolarHBondContact O-N 3.02Å; T824-I1050 HydrophobicContact CG2-CG2 4.4Å; T824-P1803 HydrophobicContact CG2-CB 3.61Å; T824-P1803 WeakPolarHBondContact OG1-CB 3.19Å |
| 825 | S | 86.3 | Confident | 78.1 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.3 | -47.3 | -176.7 | -149.3 | 0 | 0 | 0 | 0 | 113.6 | Q765 T795 E823 M827 L828 L829 | Q765-S825 PolarHBondContact OE1-OG 3.09Å; T795-S825 WeakPolarHBondContact CA-OG 3.48Å; T795-S825 WeakPolarHBondContact CB-OG 3.13Å; T795-S825 WeakPolarHBondContact CG2-OG 3.36Å; T795-S825 PolarHBondContact O-OG 2.89Å; E823-S825 VanDerWaalsContact C-N 3.34Å; E823-S825 PolarHBondContact O-N 2.92Å; S825-M827 PolarHBondContact O-N 2.75Å; S825-L828 PolarHBondContact O-N 3.1Å; S825-L829 WeakPolarHBondContact O-CG 3.36Å; S825-L829 PolarHBondContact O-N 3.25Å |
| 826 | P | 84.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -50.4 | -48.8 | 166.9 | -31.6 | 39 | 0 | 0 | 0 | 113.8 | A685 T688 A761 I764 F822 E823 L829 V830 | A685-P826 HydrophobicContact CB-CB 4.02Å; T688-P826 HydrophobicContact CG2-CG 4.48Å; A761-P826 HydrophobicContact CB-CG 3.84Å; I764-P826 HydrophobicContact CD1-CB 3.64Å; I764-P826 HydrophobicContact CD1-CG 3.85Å; F822-P826 WeakPolarHBondContact O-CD 3.4Å; E823-P826 WeakPolarHBondContact O-CD 3.47Å; P826-L829 PolarHBondContact O-N 3.37Å; P826-V830 WeakPolarHBondContact O-CG2 3.5Å; P826-V830 PolarHBondContact O-N 2.61Å |
| 827 | M | 81.3 | Confident | 78.8 | Confident | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.059 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.5 | -46.6 | -179.6 | -74.9 | -66.8 | 99.5 | 0 | 0 | 112.4 | A685 M689 E823 S825 L829 V830 F831 W1804 | A685-M827 HydrophobicContact CB-CE 3.75Å; M689-M827 HydrophobicContact CE-SD 4.24Å; M689-M827 HydrophobicContact CG-CE 3.37Å; M689-M827 HydrophobicContact CG-CG 4.33Å; M689-M827 HydrophobicContact CG-SD 3.54Å; M689-M827 VanDerWaalsContact CG-SD 3.54Å; M689-M827 HydrophobicContact SD-CE 4.24Å; M689-M827 HydrophobicContact SD-CG 4Å; M689-M827 HydrophobicContact SD-SD 3.6Å; M689-M827 VanDerWaalsContact SD-SD 3.6Å; E823-M827 WeakPolarHBondContact O-CG 3.49Å; E823-M827 PolarHBondContact O-N 3.09Å; S825-M827 PolarHBondContact O-N 2.75Å; M827-L829 PolarHBondContact O-N 2.79Å; M827-V830 PolarHBondContact O-N 3.22Å; M827-F831 HydrophobicContact CB-CD2 4.39Å; M827-F831 HydrophobicContact CB-CE2 4.39Å; M827-F831 WeakPolarHBondContact O-CD2 3.49Å; M827-F831 PolarHBondContact O-N 2.97Å; M827-F831 HydrophobicContact SD-CE2 3.81Å; M827-F831 HydrophobicContact SD-CZ 4.46Å; M827-W1804 HydrophobicContact CB-CB 4.36Å; M827-W1804 HydrophobicContact CG-CB 4.31Å |
| 828 | L | 80.5 | Confident | 78.6 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.8 | -49.9 | 174 | -79.3 | 162.6 | 0 | 0 | 0 | 111.8 | T795 T824 S825 V830 F831 V832 T1054 | T795-L828 HydrophobicContact CG2-CB 3.81Å; T795-L828 HydrophobicContact CG2-CD1 3.84Å; T795-L828 HydrophobicContact CG2-CG 4.47Å; T824-L828 HydrophobicContact CG2-CD1 3.76Å; T824-L828 WeakPolarHBondContact O-CB 3.22Å; T824-L828 WeakPolarHBondContact O-CD1 3.27Å; T824-L828 VanDerWaalsContact O-CG 3.31Å; T824-L828 WeakPolarHBondContact O-CG 3.43Å; T824-L828 PolarHBondContact O-N 3.02Å; S825-L828 PolarHBondContact O-N 3.1Å; L828-V830 PolarHBondContact O-N 3.48Å; L828-F831 PolarHBondContact O-N 3.03Å; L828-V832 VanDerWaalsContact O-CB 3.29Å; L828-V832 WeakPolarHBondContact O-CB 3.24Å; L828-V832 WeakPolarHBondContact O-CG2 3.33Å; L828-V832 PolarHBondContact O-N 3.31Å; L828-T1054 HydrophobicContact CD1-CG2 3.68Å; L828-T1054 HydrophobicContact CD2-CG2 3.82Å; L828-T1054 HydrophobicContact CG-CG2 4.3Å |
| 829 | L | 85.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.9 | -36.4 | -176.6 | -70 | 173.6 | 0 | 0 | 0 | 112.5 | I764 F772 T795 S825 P826 M827 S833 | I764-L829 HydrophobicContact CG2-CB 4.17Å; I764-L829 HydrophobicContact CG2-CD1 4Å; F772-L829 HydrophobicContact CD2-CD2 3.83Å; F772-L829 HydrophobicContact CE2-CD2 4.14Å; T795-L829 HydrophobicContact CG2-CD2 4.26Å; T795-L829 HydrophobicContact CG2-CG 4.14Å; S825-L829 WeakPolarHBondContact O-CG 3.36Å; S825-L829 PolarHBondContact O-N 3.25Å; P826-L829 PolarHBondContact O-N 3.37Å; M827-L829 PolarHBondContact O-N 2.79Å; L829-S833 WeakPolarHBondContact O-CB 3.31Å; L829-S833 PolarHBondContact O-N 3.5Å; L829-S833 PolarHBondContact O-OG 2.9Å |
| 830 | V | 85 | Confident | 78 | Confident | 7 Ų | 7 | 18 Ų | 18 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.7 | -52.8 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | F678 L682 A685 P826 M827 L828 V832 S833 L834 | F678-V830 HydrophobicContact CD2-CG1 4.32Å; F678-V830 HydrophobicContact CE2-CG1 3.85Å; L682-V830 HydrophobicContact CD1-CG1 3.94Å; A685-V830 HydrophobicContact CB-CG2 3.49Å; A685-V830 VanDerWaalsContact CB-CG2 3.49Å; P826-V830 WeakPolarHBondContact O-CG2 3.5Å; P826-V830 PolarHBondContact O-N 2.61Å; M827-V830 PolarHBondContact O-N 3.22Å; L828-V830 PolarHBondContact O-N 3.48Å; V830-V832 PolarHBondContact O-N 3.03Å; V830-S833 PolarHBondContact O-N 3.26Å; V830-S833 PolarHBondContact O-OG 3.23Å; V830-S833 VanDerWaalsContact O-OG 3.07Å; V830-L834 WeakPolarHBondContact O-CB 3.22Å; V830-L834 PolarHBondContact O-N 3.02Å |
| 831 | F | 79.8 | Confident | 77.1 | Confident | 55 Ų | 55 | 20 Ų | 20 | 24% | 0.241 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.6 | -35.4 | -175.5 | -74.8 | -55.1 | 0 | 0 | 0 | 112.9 | M827 L828 G835 S1807 A1808 A1811 | M827-F831 HydrophobicContact CB-CD2 4.39Å; M827-F831 HydrophobicContact CB-CE2 4.39Å; M827-F831 WeakPolarHBondContact O-CD2 3.49Å; M827-F831 PolarHBondContact O-N 2.97Å; M827-F831 HydrophobicContact SD-CE2 3.81Å; M827-F831 HydrophobicContact SD-CZ 4.46Å; L828-F831 PolarHBondContact O-N 3.03Å; F831-G835 PolarHBondContact O-N 3.19Å; F831-G835 VanDerWaalsContact O-N 3.12Å; F831-S1807 WeakPolarHBondContact CD2-OG 3.29Å; F831-A1808 HydrophobicContact CE2-CB 4.19Å; F831-A1808 HydrophobicContact CZ-CB 4.24Å; F831-A1811 HydrophobicContact CB-CB 4.12Å; F831-A1811 HydrophobicContact CD1-CB 4.02Å; F831-A1811 HydrophobicContact CG-CB 4.35Å |
| 832 | V | 76.7 | Confident | 76 | Confident | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.1 | -43.8 | 174.6 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | F772 I791 L828 V830 L834 G835 R836 M1810 | F772-V832 HydrophobicContact CD1-CG1 4.41Å; F772-V832 HydrophobicContact CE1-CG1 3.46Å; F772-V832 VanDerWaalsContact CE1-CG1 3.46Å; F772-V832 HydrophobicContact CZ-CB 4.26Å; F772-V832 HydrophobicContact CZ-CG1 3.55Å; I791-V832 HydrophobicContact CD1-CG1 3.71Å; I791-V832 HydrophobicContact CD1-CG2 4.32Å; I791-V832 HydrophobicContact CG1-CG2 4.36Å; I791-V832 HydrophobicContact CG2-CG2 4.38Å; L828-V832 VanDerWaalsContact O-CB 3.29Å; L828-V832 WeakPolarHBondContact O-CB 3.24Å; L828-V832 WeakPolarHBondContact O-CG2 3.33Å; L828-V832 PolarHBondContact O-N 3.31Å; V830-V832 PolarHBondContact O-N 3.03Å; V832-L834 VanDerWaalsContact C-N 3.35Å; V832-L834 PolarHBondContact O-N 3.5Å; V832-G835 PolarHBondContact O-N 2.96Å; V832-R836 PolarHBondContact O-N 2.91Å; V832-M1810 HydrophobicContact CG2-CE 3.68Å; V832-M1810 HydrophobicContact CG2-SD 4.19Å |
| 833 | S | 81.1 | Confident | 74.8 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.8 | -35.1 | 178.1 | 59.4 | 0 | 0 | 0 | 0 | 112.3 | F678 L829 V830 R836 W837 | F678-S833 WeakPolarHBondContact CA-OG 3.44Å; L829-S833 WeakPolarHBondContact O-CB 3.31Å; L829-S833 PolarHBondContact O-N 3.5Å; L829-S833 PolarHBondContact O-OG 2.9Å; V830-S833 PolarHBondContact O-N 3.26Å; V830-S833 PolarHBondContact O-OG 3.23Å; V830-S833 VanDerWaalsContact O-OG 3.07Å; S833-R836 PolarHBondContact O-N 2.79Å; S833-W837 WeakPolarHBondContact O-CB 3.47Å; S833-W837 PolarHBondContact O-N 3.08Å |
| 834 | L | 78.5 | Confident | 73.5 | Confident | 48 Ų | 48 | 21.7 Ų | 21.7 | 25% | 0.251 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -58.4 | -47.7 | 168.6 | 180 | 57.6 | 0 | 0 | 0 | 111.5 | F678 V830 V832 R836 W837 L838 | F678-L834 HydrophobicContact CD2-CB 3.79Å; F678-L834 HydrophobicContact CD2-CD1 4.4Å; F678-L834 HydrophobicContact CE1-CD1 4.46Å; F678-L834 HydrophobicContact CE2-CB 3.7Å; F678-L834 HydrophobicContact CE2-CD1 3.97Å; F678-L834 HydrophobicContact CE2-CD2 4.33Å; F678-L834 HydrophobicContact CE2-CG 4.2Å; F678-L834 HydrophobicContact CZ-CD1 4Å; V830-L834 WeakPolarHBondContact O-CB 3.22Å; V830-L834 PolarHBondContact O-N 3.02Å; V832-L834 VanDerWaalsContact C-N 3.35Å; V832-L834 PolarHBondContact O-N 3.5Å; L834-R836 PolarHBondContact O-N 3.38Å; L834-W837 HydrophobicContact CD1-CE3 4.13Å; L834-W837 PolarHBondContact O-N 3.32Å; L834-L838 HydrophobicContact CD1-CD1 4.07Å; L834-L838 HydrophobicContact CD1-CG 4.19Å; L834-L838 HydrophobicContact CG-CD1 4.06Å; L834-L838 WeakPolarHBondContact O-CB 3.35Å; L834-L838 WeakPolarHBondContact O-CG 3.34Å; L834-L838 PolarHBondContact O-N 2.89Å |
| 835 | G | 71.9 | Confident | 72.1 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 11% | 0.113 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.1 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | F831 V832 E839 | F831-G835 PolarHBondContact O-N 3.19Å; F831-G835 VanDerWaalsContact O-N 3.12Å; V832-G835 PolarHBondContact O-N 2.96Å; G835-E839 WeakPolarHBondContact O-CB 3.49Å; G835-E839 PolarHBondContact O-N 2.87Å |
| 836 | R | 72.7 | Confident | 70.2 | Confident | 44 Ų | 44 | 28.1 Ų | 28.1 | 17% | 0.166 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.3 | -36.7 | 175.6 | -70.5 | -60.1 | -164.4 | -172.2 | 2.7 | 113.1 | W674 F772 D788 V832 S833 L834 E839 H840 | W674-R836 HydrophobicContact CD2-CB 3.87Å; W674-R836 HydrophobicContact CE3-CB 3.99Å; W674-R836 HydrophobicContact CG-CB 4.29Å; W674-R836 HydrophobicContact CH2-CG 4.29Å; W674-R836 HydrophobicContact CZ2-CB 4.43Å; W674-R836 HydrophobicContact CZ2-CG 4.34Å; W674-R836 HydrophobicContact CZ3-CB 4.35Å; W674-R836 HydrophobicContact CZ3-CG 4.37Å; F772-R836 HydrophobicContact CE1-CG 4.28Å; F772-R836 HydrophobicContact CZ-CG 4.48Å; D788-R836 IonicContact OD1-CZ 2.67Å; D788-R836 IonicContact OD1-NE 2.64Å; D788-R836 IonicContact OD1-NH2 3.27Å; D788-R836 PolarHBondContact OD1-NH2 3.34Å; D788-R836 IonicContact OD2-NH2 3.04Å; V832-R836 PolarHBondContact O-N 2.91Å; S833-R836 PolarHBondContact O-N 2.79Å; L834-R836 PolarHBondContact O-N 3.38Å; R836-E839 WeakPolarHBondContact CD-OE2 3.23Å; R836-E839 IonicContact CZ-OE2 2.66Å; R836-E839 IonicContact NH1-OE2 2.74Å; R836-E839 PolarHBondContact NH1-OE2 3.4Å; R836-E839 WeakPolarHBondContact O-CB 3.33Å; R836-E839 PolarHBondContact O-N 3.41Å; R836-H840 PolarHBondContact O-CD2 3.08Å; R836-H840 PolarHBondContact O-N 3.2Å |
| 837 | W | 74.3 | Confident | 68.6 | Low | 39 Ų | 39 | 29.1 Ų | 29.1 | 15% | 0.148 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.6 | -45 | 176.9 | -178.3 | 38.9 | 0 | 0 | 0 | 111.3 | W674 R675 F678 Y679 S833 L834 E839 H840 I841 | W674-W837 HydrophobicContact CB-CB 4.19Å; R675-W837 HydrophobicContact CB-CZ2 4.41Å; R675-W837 HydrophobicContact CG-CH2 4.43Å; R675-W837 HydrophobicContact CG-CZ2 3.71Å; F678-W837 AromaticContact CD1-CE3 3.71Å; F678-W837 HydrophobicContact CD1-CE3 3.71Å; F678-W837 AromaticContact CD1-CZ3 3.75Å; F678-W837 HydrophobicContact CD1-CZ3 3.75Å; F678-W837 HydrophobicContact CE1-CE3 4.15Å; F678-W837 AromaticContact CE1-CZ3 3.84Å; F678-W837 HydrophobicContact CE1-CZ3 3.84Å; F678-W837 HydrophobicContact CG-CE3 4.23Å; Y679-W837 HydrophobicContact CE2-CH2 4.4Å; S833-W837 WeakPolarHBondContact O-CB 3.47Å; S833-W837 PolarHBondContact O-N 3.08Å; L834-W837 HydrophobicContact CD1-CE3 4.13Å; L834-W837 PolarHBondContact O-N 3.32Å; W837-E839 VanDerWaalsContact C-N 3.31Å; W837-E839 PolarHBondContact O-N 3.06Å; W837-H840 PolarHBondContact O-N 3.11Å; W837-H840 VanDerWaalsContact O-N 3.12Å; W837-I841 HydrophobicContact CD2-CD1 4.04Å; W837-I841 HydrophobicContact CG-CD1 4.31Å; W837-I841 HydrophobicContact CZ2-CD1 3.99Å; W837-I841 WeakPolarHBondContact O-CG1 3.42Å; W837-I841 PolarHBondContact O-N 3.11Å |
| 838 | L | 64.3 | Low | 67.2 | Low | 51 Ų | 51 | 32.7 Ų | 32.7 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.3 | -37 | 172.8 | -69.1 | 170.6 | 0 | 0 | 0 | 112.3 | L834 H840 I841 A842 L1815 I1818 | L834-L838 HydrophobicContact CD1-CD1 4.07Å; L834-L838 HydrophobicContact CD1-CG 4.19Å; L834-L838 HydrophobicContact CG-CD1 4.06Å; L834-L838 WeakPolarHBondContact O-CB 3.35Å; L834-L838 WeakPolarHBondContact O-CG 3.34Å; L834-L838 PolarHBondContact O-N 2.89Å; L838-H840 VanDerWaalsContact C-N 3.32Å; L838-H840 PolarHBondContact O-N 2.83Å; L838-I841 HydrophobicContact CD2-CD1 4.43Å; L838-I841 PolarHBondContact O-N 3.38Å; L838-A842 WeakPolarHBondContact O-CB 3.14Å; L838-A842 PolarHBondContact O-N 3.36Å; L838-L1815 HydrophobicContact CD1-CD1 4.39Å; L838-I1818 HydrophobicContact CB-CD1 3.88Å |
| 839 | E | 66.5 | Low | 65.6 | Low | 25 Ų | 25 | 33.4 Ų | 33.4 | 12% | 0.117 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.8 | -43.8 | 172 | -169.6 | -168.8 | 154.3 | 0 | 0 | 111.7 | G835 R836 W837 K843 L1063 | G835-E839 WeakPolarHBondContact O-CB 3.49Å; G835-E839 PolarHBondContact O-N 2.87Å; R836-E839 WeakPolarHBondContact CD-OE2 3.23Å; R836-E839 IonicContact CZ-OE2 2.66Å; R836-E839 IonicContact NH1-OE2 2.74Å; R836-E839 PolarHBondContact NH1-OE2 3.4Å; R836-E839 WeakPolarHBondContact O-CB 3.33Å; R836-E839 PolarHBondContact O-N 3.41Å; W837-E839 VanDerWaalsContact C-N 3.31Å; W837-E839 PolarHBondContact O-N 3.06Å; E839-K843 WeakPolarHBondContact O-CG 3.29Å; E839-K843 PolarHBondContact O-N 3.48Å; E839-K843 IonicContact OE1-NZ 3.84Å; E839-K843 PolarHBondContact OE1-NZ 3.15Å; E839-L1063 HydrophobicContact CB-CD1 3.8Å; E839-L1063 HydrophobicContact CG-CD1 3.65Å; E839-L1063 HydrophobicContact CG-CG 4Å |
| 840 | H | 64.3 | Low | 63.9 | Low | 40 Ų | 40 | 34.2 Ų | 34.2 | 19% | 0.185 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -74.9 | -35.8 | 177.8 | -85.3 | -100.9 | 0 | 0 | 0 | 113.3 | S670 L671 W674 R836 W837 L838 A842 K843 G844 | S670-H840 PolarHBondContact OG-CE1 2.82Å; S670-H840 PolarHBondContact OG-ND1 2.88Å; S670-H840 VanDerWaalsContact OG-ND1 3.16Å; L671-H840 HydrophobicContact CB-CB 4.45Å; L671-H840 HydrophobicContact CD1-CB 4.33Å; L671-H840 HydrophobicContact CG-CB 4.14Å; W674-H840 AromaticContact CD1-CD2 3.61Å; W674-H840 AromaticContact CD1-NE2 3.79Å; W674-H840 AromaticContact NE1-CD2 3.86Å; W674-H840 AromaticContact NE1-NE2 3.65Å; R836-H840 PolarHBondContact O-CD2 3.08Å; R836-H840 PolarHBondContact O-N 3.2Å; W837-H840 PolarHBondContact O-N 3.11Å; W837-H840 VanDerWaalsContact O-N 3.12Å; L838-H840 VanDerWaalsContact C-N 3.32Å; L838-H840 PolarHBondContact O-N 2.83Å; H840-A842 VanDerWaalsContact C-N 3.32Å; H840-A842 PolarHBondContact O-N 3.42Å; H840-K843 PolarHBondContact O-N 3.38Å; H840-G844 PolarHBondContact O-N 2.84Å |
| 841 | I | 62.9 | Low | 62.4 | Low | 51 Ų | 51 | 37 Ų | 37 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.8 | -41.6 | 173.2 | -66.1 | 169 | 0 | 0 | 0 | 110.9 | L671 W837 L838 K843 G844 K845 | L671-I841 HydrophobicContact CD1-CG1 4.34Å; L671-I841 HydrophobicContact CD2-CG1 4.49Å; W837-I841 HydrophobicContact CD2-CD1 4.04Å; W837-I841 HydrophobicContact CG-CD1 4.31Å; W837-I841 HydrophobicContact CZ2-CD1 3.99Å; W837-I841 WeakPolarHBondContact O-CG1 3.42Å; W837-I841 PolarHBondContact O-N 3.11Å; L838-I841 HydrophobicContact CD2-CD1 4.43Å; L838-I841 PolarHBondContact O-N 3.38Å; I841-K843 PolarHBondContact O-N 3.06Å; I841-G844 PolarHBondContact O-N 2.83Å; I841-K845 PolarHBondContact O-N 3.41Å; I841-K845 VanDerWaalsContact O-N 3.09Å |
| 842 | A | 55.1 | Low | 61.2 | Low | 14 Ų | 14 | 40 Ų | 40 | 12% | 0.116 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -32.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L838 H840 T1067 I1818 | L838-A842 WeakPolarHBondContact O-CB 3.14Å; L838-A842 PolarHBondContact O-N 3.36Å; H840-A842 VanDerWaalsContact C-N 3.32Å; H840-A842 PolarHBondContact O-N 3.42Å; A842-T1067 HydrophobicContact CB-CG2 4.34Å; A842-I1818 HydrophobicContact CB-CG2 4.5Å |
| 843 | K | 57.7 | Low | 60.1 | Low | 27 Ų | 27 | 41.5 Ų | 41.5 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -73.6 | -52.3 | 174.7 | -64.2 | 167.3 | -171.2 | 168.9 | 0 | 111.5 | E839 H840 I841 K845 T846 S847 M1070 | E839-K843 WeakPolarHBondContact O-CG 3.29Å; E839-K843 PolarHBondContact O-N 3.48Å; E839-K843 IonicContact OE1-NZ 3.84Å; E839-K843 PolarHBondContact OE1-NZ 3.15Å; H840-K843 PolarHBondContact O-N 3.38Å; I841-K843 PolarHBondContact O-N 3.06Å; K843-K845 VanDerWaalsContact C-N 3.25Å; K843-K845 PolarHBondContact O-N 3.05Å; K843-T846 PolarHBondContact O-N 2.67Å; K843-T846 PolarHBondContact O-OG1 2.89Å; K843-S847 PolarHBondContact O-N 3.18Å; K843-M1070 HydrophobicContact CB-CE 4.48Å; K843-M1070 HydrophobicContact CB-SD 3.88Å; K843-M1070 HydrophobicContact CG-CE 4.14Å; K843-M1070 HydrophobicContact CG-SD 3.72Å |
| 844 | G | 54 | Low | 59 | Low | 21 Ų | 21 | 42.7 Ų | 42.7 | 22% | 0.216 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -31.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | H840 I841 T846 S847 E848 | H840-G844 PolarHBondContact O-N 2.84Å; I841-G844 PolarHBondContact O-N 2.83Å; G844-T846 PolarHBondContact O-N 3.33Å; G844-S847 PolarHBondContact O-N 3.2Å; G844-S847 PolarHBondContact O-OG 3.35Å; G844-S847 VanDerWaalsContact O-OG 3.05Å; G844-E848 PolarHBondContact O-N 3.4Å |
| 845 | K | 51 | Low | 58.2 | Low | 124 Ų | 124 | 43.9 Ų | 43.9 | 54% | 0.539 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.7 | 15.6 | 171.6 | -70.3 | -154.3 | 174.8 | -163.6 | 0 | 115.1 | I841 K843 K1825 | I841-K845 PolarHBondContact O-N 3.41Å; I841-K845 VanDerWaalsContact O-N 3.09Å; K843-K845 VanDerWaalsContact C-N 3.25Å; K843-K845 PolarHBondContact O-N 3.05Å; K845-K1825 PolarHBondContact O-NZ 3.03Å |
| 846 | T | 47.1 | Very low | 57.7 | Low | 12 Ų | 12 | 44 Ų | 44 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -126.5 | -30.1 | 169.9 | 67.6 | 0 | 0 | 0 | 0 | 112.7 | K843 G844 E848 A849 M1070 V1071 | K843-T846 PolarHBondContact O-N 2.67Å; K843-T846 PolarHBondContact O-OG1 2.89Å; G844-T846 PolarHBondContact O-N 3.33Å; T846-E848 PolarHBondContact O-N 3.13Å; T846-A849 WeakPolarHBondContact O-CB 3.47Å; T846-A849 PolarHBondContact O-N 3.19Å; T846-M1070 HydrophobicContact CG2-CG 4.02Å; T846-M1070 VanDerWaalsContact OG1-CG 3.22Å; T846-M1070 WeakPolarHBondContact OG1-CG 3.34Å; T846-M1070 PolarHBondContact OG1-SD 3.09Å; T846-M1070 VanDerWaalsContact OG1-SD 3.38Å; T846-V1071 HydrophobicContact CG2-CG2 4.36Å |
| 847 | S | 50.3 | Low | 57.5 | Low | 22 Ų | 22 | 44.4 Ų | 44.4 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -21.5 | 165.8 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | E667 K843 G844 A849 L850 T851 | E667-S847 PolarHBondContact OE1-OG 3.33Å; E667-S847 VanDerWaalsContact OE2-CB 3.27Å; E667-S847 WeakPolarHBondContact OE2-CB 3.42Å; E667-S847 PolarHBondContact OE2-OG 2.79Å; K843-S847 PolarHBondContact O-N 3.18Å; G844-S847 PolarHBondContact O-N 3.2Å; G844-S847 PolarHBondContact O-OG 3.35Å; G844-S847 VanDerWaalsContact O-OG 3.05Å; S847-A849 PolarHBondContact O-N 3.4Å; S847-L850 PolarHBondContact O-N 2.96Å; S847-L850 VanDerWaalsContact O-N 3.11Å; S847-T851 PolarHBondContact O-N 3.09Å; S847-T851 PolarHBondContact O-OG1 3.39Å |
| 848 | E | 51.1 | Low | 57.5 | Low | 86 Ų | 86 | 43.2 Ų | 43.2 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -54.5 | -35.5 | 165.9 | -162.3 | -154.1 | 129.4 | 0 | 0 | 113.1 | G844 T846 T851 K852 | G844-E848 PolarHBondContact O-N 3.4Å; T846-E848 PolarHBondContact O-N 3.13Å; E848-T851 VanDerWaalsContact CA-OG1 3.32Å; E848-T851 WeakPolarHBondContact CA-OG1 3.39Å; E848-T851 PolarHBondContact O-OG1 2.64Å; E848-K852 WeakPolarHBondContact O-CB 3.38Å; E848-K852 WeakPolarHBondContact O-CG 3.18Å; E848-K852 PolarHBondContact O-N 2.93Å; E848-K852 VanDerWaalsContact O-N 3.07Å; E848-K852 IonicContact OE1-NZ 2.58Å; E848-K852 PolarHBondContact OE1-NZ 3.26Å |
| 849 | A | 48 | Very low | 58.2 | Low | 20 Ų | 20 | 48.7 Ų | 48.7 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -74.5 | -34.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T846 S847 K852 L853 | T846-A849 WeakPolarHBondContact O-CB 3.47Å; T846-A849 PolarHBondContact O-N 3.19Å; S847-A849 PolarHBondContact O-N 3.4Å; A849-K852 PolarHBondContact O-N 2.78Å; A849-L853 PolarHBondContact O-N 2.91Å; A849-L853 VanDerWaalsContact O-N 3.09Å |
| 850 | L | 50.4 | Low | 59.1 | Low | 18 Ų | 18 | 52.3 Ų | 52.3 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74.1 | -39.6 | 178.4 | -156.5 | 161.3 | 0 | 0 | 0 | 111.2 | S847 K852 L853 L854 V978 V981 | S847-L850 PolarHBondContact O-N 2.96Å; S847-L850 VanDerWaalsContact O-N 3.11Å; L850-K852 VanDerWaalsContact C-N 3.32Å; L850-K852 PolarHBondContact O-N 2.99Å; L850-L853 WeakPolarHBondContact O-CB 3.48Å; L850-L853 PolarHBondContact O-N 3.21Å; L850-L854 HydrophobicContact CD2-CD1 3.63Å; L850-L854 HydrophobicContact CD2-CG 4.1Å; L850-L854 PolarHBondContact O-N 3.32Å; L850-V978 HydrophobicContact CD2-CG1 4.49Å; L850-V981 HydrophobicContact CD1-CB 4.39Å; L850-V981 HydrophobicContact CD1-CG1 3.62Å; L850-V981 HydrophobicContact CG-CG1 4.26Å |
| 851 | T | 53.4 | Low | 60.3 | Low | 66 Ų | 66 | 50.4 Ų | 50.4 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.6 | -29.3 | 171.1 | 41.7 | 0 | 0 | 0 | 0 | 112.8 | S847 E848 S855 | S847-T851 PolarHBondContact O-N 3.09Å; S847-T851 PolarHBondContact O-OG1 3.39Å; E848-T851 VanDerWaalsContact CA-OG1 3.32Å; E848-T851 WeakPolarHBondContact CA-OG1 3.39Å; E848-T851 PolarHBondContact O-OG1 2.64Å; T851-S855 WeakPolarHBondContact O-CB 3.43Å; T851-S855 PolarHBondContact O-N 3.44Å |
| 852 | K | 53.5 | Low | 61.6 | Low | 119 Ų | 119 | 48.5 Ų | 48.5 | 52% | 0.517 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 167 | -83 | 168.7 | 172.8 | 166.5 | 0 | 112.2 | E848 A849 L850 S855 | E848-K852 WeakPolarHBondContact O-CB 3.38Å; E848-K852 WeakPolarHBondContact O-CG 3.18Å; E848-K852 PolarHBondContact O-N 2.93Å; E848-K852 VanDerWaalsContact O-N 3.07Å; E848-K852 IonicContact OE1-NZ 2.58Å; E848-K852 PolarHBondContact OE1-NZ 3.26Å; A849-K852 PolarHBondContact O-N 2.78Å; L850-K852 VanDerWaalsContact C-N 3.32Å; L850-K852 PolarHBondContact O-N 2.99Å; K852-S855 WeakPolarHBondContact O-CB 3.33Å; K852-S855 PolarHBondContact O-N 3.46Å; K852-S855 PolarHBondContact O-OG 3.17Å |
| 853 | L | 53.6 | Low | 63.2 | Low | 34 Ų | 34 | 47.9 Ų | 47.9 | 18% | 0.178 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 173.1 | -70.4 | 169.3 | 0 | 0 | 0 | 112.2 | A849 L850 S855 L856 | A849-L853 PolarHBondContact O-N 2.91Å; A849-L853 VanDerWaalsContact O-N 3.09Å; L850-L853 WeakPolarHBondContact O-CB 3.48Å; L850-L853 PolarHBondContact O-N 3.21Å; L853-S855 PolarHBondContact O-N 3.4Å; L853-L856 HydrophobicContact CD2-CD1 4.11Å; L853-L856 WeakPolarHBondContact O-CB 3.33Å; L853-L856 WeakPolarHBondContact O-CG 3.4Å; L853-L856 PolarHBondContact O-N 2.76Å |
| 854 | L | 58.5 | Low | 64.6 | Low | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -28 | 174.8 | -76.6 | 168.5 | 0 | 0 | 0 | 113.3 | L850 L856 V978 | L850-L854 HydrophobicContact CD2-CD1 3.63Å; L850-L854 HydrophobicContact CD2-CG 4.1Å; L850-L854 PolarHBondContact O-N 3.32Å; L854-L856 PolarHBondContact O-N 2.99Å; L854-V978 HydrophobicContact CD2-CG1 4.08Å; L854-V978 HydrophobicContact CD2-CG2 3.84Å; L854-V978 HydrophobicContact CG-CG2 4.23Å |
| 855 | S | 61.3 | Low | 65.8 | Low | 73 Ų | 73 | 49 Ų | 49 | 51% | 0.51 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -7.2 | 173.7 | 81.7 | 0 | 0 | 0 | 0 | 113.5 | T851 K852 L853 K916 | T851-S855 WeakPolarHBondContact O-CB 3.43Å; T851-S855 PolarHBondContact O-N 3.44Å; K852-S855 WeakPolarHBondContact O-CB 3.33Å; K852-S855 PolarHBondContact O-N 3.46Å; K852-S855 PolarHBondContact O-OG 3.17Å; L853-S855 PolarHBondContact O-N 3.4Å; S855-K916 PolarHBondContact O-NZ 3.22Å |
| 856 | L | 62.1 | Low | 66.8 | Low | 13 Ų | 13 | 43.8 Ų | 43.8 | 7% | 0.068 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -35.1 | 175.8 | -58.5 | 178.5 | 0 | 0 | 0 | 112.5 | L853 L854 A858 K916 L934 I935 L974 | L853-L856 HydrophobicContact CD2-CD1 4.11Å; L853-L856 WeakPolarHBondContact O-CB 3.33Å; L853-L856 WeakPolarHBondContact O-CG 3.4Å; L853-L856 PolarHBondContact O-N 2.76Å; L854-L856 PolarHBondContact O-N 2.99Å; L856-A858 PolarHBondContact O-N 3.48Å; L856-K916 WeakPolarHBondContact O-CD 3.45Å; L856-K916 WeakPolarHBondContact O-CE 3.33Å; L856-K916 PolarHBondContact O-NZ 2.92Å; L856-L934 HydrophobicContact CD1-CB 3.99Å; L856-L934 WeakPolarHBondContact CD1-O 3.41Å; L856-L934 HydrophobicContact CD2-CB 3.73Å; L856-L934 HydrophobicContact CD2-CD1 3.76Å; L856-L934 HydrophobicContact CD2-CD2 4.36Å; L856-L934 HydrophobicContact CD2-CG 4.16Å; L856-I935 HydrophobicContact CD1-CG1 4.02Å; L856-L974 HydrophobicContact CB-CD2 3.83Å; L856-L974 HydrophobicContact CD1-CD1 4.42Å |
| 857 | H | 68.5 | Low | 67.8 | Low | 53 Ų | 53 | 45.5 Ų | 45.5 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -50.4 | 135.3 | 174.7 | -74.5 | 94 | 0 | 0 | 0 | 111.4 | L974 S975 | H857-L974 HydrophobicContact CB-CD2 4.41Å; H857-L974 WeakPolarHBondContact ND1-CD2 3.28Å; H857-S975 PolarHBondContact NE2-OG 3.12Å; H857-S975 VanDerWaalsContact NE2-OG 3.14Å |
| 858 | A | 74.9 | Confident | 68.5 | Low | 13 Ų | 13 | 49 Ų | 49 | 11% | 0.107 | 27% | 0.265 | C | S | . | . | trans | -73.9 | 148.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L856 V900 K916 P918 | L856-A858 PolarHBondContact O-N 3.48Å; A858-V900 WeakPolarHBondContact O-CB 3.29Å; A858-V900 VanDerWaalsContact O-CG1 3.28Å; A858-V900 WeakPolarHBondContact O-CG1 3.41Å; A858-K916 HydrophobicContact CB-CB 4.32Å; A858-P918 HydrophobicContact CB-CB 3.86Å | ||
| 859 | K | 79.1 | Confident | 68.9 | Low | 166 Ų | 166 | 49.2 Ų | 49.2 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -88.3 | -24 | 177.5 | -64.6 | -179.1 | 178.7 | 179.8 | 0 | 113 | V900 | K859-V900 PolarHBondContact O-N 2.81Å; K859-V900 VanDerWaalsContact O-N 3.13Å |
| 860 | E | 84.2 | Confident | 69.7 | Low | 101 Ų | 101 | 50.4 Ų | 50.4 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 158 | -174.6 | -68.7 | 175 | -156.7 | 0 | 0 | 109.4 | R897 I898 | E860-R897 WeakPolarHBondContact OE2-CD 3.45Å; E860-I898 CarbonylContact C-O 3.45Å; E860-I898 WeakPolarHBondContact CA-O 3.49Å |
| 861 | A | 89.3 | Confident | 70.3 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L863 I898 V903 I909 P918 | A861-L863 PolarHBondContact O-N 3.3Å; A861-I898 PolarHBondContact N-O 3.01Å; A861-I898 PolarHBondContact O-N 3.46Å; A861-V903 HydrophobicContact CB-CG2 3.59Å; A861-I909 HydrophobicContact CB-CG2 4.24Å; A861-P918 HydrophobicContact CB-CB 3.75Å; A861-P918 HydrophobicContact CB-CG 3.71Å |
| 862 | T | 90.2 | Very high | 70.6 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 94.9 | 173.1 | -53.4 | 0 | 0 | 0 | 0 | 109.2 | E895 I909 K910 | T862-E895 HydrophobicContact CG2-CB 4.39Å; T862-I909 CarbonylContact O-C 3.52Å; T862-I909 WeakPolarHBondContact O-CA 3.2Å; T862-K910 HydrophobicContact CG2-CB 4Å; T862-K910 HydrophobicContact CG2-CD 4.41Å; T862-K910 PolarHBondContact O-N 2.74Å |
| 863 | L | 89.5 | Confident | 71 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 145.8 | 172.5 | 179.5 | 73 | 0 | 0 | 0 | 109.8 | A861 E895 K896 I898 D907 | A861-L863 PolarHBondContact O-N 3.3Å; L863-E895 WeakPolarHBondContact O-CA 3.39Å; L863-K896 WeakPolarHBondContact CB-O 3.18Å; L863-K896 PolarHBondContact N-O 3.11Å; L863-K896 PolarHBondContact O-N 3.38Å; L863-I898 HydrophobicContact CB-CD1 3.97Å; L863-I898 HydrophobicContact CB-CG1 4.14Å; L863-I898 HydrophobicContact CD2-CD1 4.19Å; L863-D907 HydrophobicContact CD1-CB 3.68Å |
| 864 | I | 87 | Confident | 71.4 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.9 | 161 | -45.5 | 101.5 | 0 | 0 | 0 | 108.8 | L866 E895 I908 K910 W962 | I864-L866 HydrophobicContact CG2-CD2 4.26Å; I864-L866 HydrophobicContact CG2-CG 4.36Å; I864-E895 HydrophobicContact CG1-CG 4.31Å; I864-I908 HydrophobicContact CD1-CG2 3.97Å; I864-I908 WeakPolarHBondContact CD1-O 3.19Å; I864-I908 PolarHBondContact N-O 3.46Å; I864-I908 VanDerWaalsContact N-O 3.11Å; I864-K910 HydrophobicContact CD1-CB 3.85Å; I864-K910 HydrophobicContact CG1-CB 4.32Å; I864-W962 HydrophobicContact CB-CZ3 4.15Å; I864-W962 HydrophobicContact CD1-CD2 4.45Å; I864-W962 HydrophobicContact CD1-CE3 3.41Å; I864-W962 VanDerWaalsContact CD1-CE3 3.41Å; I864-W962 HydrophobicContact CD1-CH2 4.26Å; I864-W962 HydrophobicContact CD1-CZ3 3.31Å; I864-W962 HydrophobicContact CG1-CE3 4.06Å; I864-W962 HydrophobicContact CG1-CH2 4.05Å; I864-W962 HydrophobicContact CG1-CZ3 3.38Å; I864-W962 HydrophobicContact CG2-CZ3 4.17Å |
| 865 | D | 79.3 | Confident | 71.6 | Confident | 72 Ų | 72 | 59 Ų | 59 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 117.5 | 169.2 | -123.3 | -22.9 | 0 | 0 | 0 | 108.4 | G893 I894 | D865-G893 WeakPolarHBondContact O-CA 3.39Å; D865-I894 PolarHBondContact N-O 3.07Å; D865-I894 PolarHBondContact O-N 3.37Å |
| 866 | L | 72.1 | Confident | 71.3 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | trans | -109.9 | 140.1 | 177.5 | -70.2 | 172.3 | 0 | 0 | 0 | 108 | I864 E870 R871 L874 F890 I908 | I864-L866 HydrophobicContact CG2-CD2 4.26Å; I864-L866 HydrophobicContact CG2-CG 4.36Å; L866-E870 HydrophobicContact CB-CB 4.17Å; L866-E870 HydrophobicContact CD2-CB 4.36Å; L866-R871 HydrophobicContact CB-CG 3.91Å; L866-R871 HydrophobicContact CD1-CG 4.46Å; L866-L874 HydrophobicContact CD1-CD2 4Å; L866-F890 HydrophobicContact CD1-CD1 4.36Å; L866-F890 HydrophobicContact CD1-CE1 3.92Å; L866-F890 HydrophobicContact CD2-CD1 4.4Å; L866-I908 HydrophobicContact CD1-CD1 4.04Å | ||
| 867 | S | 67.2 | Low | 71.1 | Confident | 48 Ų | 48 | 60 Ų | 60 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | trans | -59.4 | 157.5 | 175 | 68 | 0 | 0 | 0 | 0 | 111.1 | T869 E870 R871 | S867-T869 PolarHBondContact O-N 2.92Å; S867-T869 PolarHBondContact OG-OG1 2.86Å; S867-E870 WeakPolarHBondContact CB-OE2 3.43Å; S867-E870 PolarHBondContact N-OE2 2.82Å; S867-E870 WeakPolarHBondContact O-CA 3.37Å; S867-E870 PolarHBondContact O-N 2.72Å; S867-E870 VanDerWaalsContact OG-CD 3.23Å; S867-E870 VanDerWaalsContact OG-CG 3.28Å; S867-E870 WeakPolarHBondContact OG-CG 3.22Å; S867-E870 PolarHBondContact OG-N 3.14Å; S867-E870 PolarHBondContact OG-OE2 3.27Å; S867-R871 PolarHBondContact O-N 2.81Å | ||
| 868 | S | 65.9 | Low | 70.4 | Confident | 97 Ų | 97 | 61 Ų | 61 | 68% | 0.678 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -54.6 | -39.6 | 176.4 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | E870 Q872 | S868-E870 VanDerWaalsContact C-N 3.34Å; S868-E870 PolarHBondContact O-N 3.13Å; S868-Q872 VanDerWaalsContact O-CB 3.3Å; S868-Q872 WeakPolarHBondContact O-CB 3.13Å; S868-Q872 PolarHBondContact O-N 3.43Å |
| 869 | T | 59.9 | Low | 69.1 | Low | 89 Ų | 89 | 67.6 Ų | 67.6 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -29.5 | 173.2 | 33.1 | 0 | 0 | 0 | 0 | 114.6 | S867 K873 | S867-T869 PolarHBondContact O-N 2.92Å; S867-T869 PolarHBondContact OG-OG1 2.86Å; T869-K873 WeakPolarHBondContact O-CB 3.49Å; T869-K873 VanDerWaalsContact O-CG 3.23Å; T869-K873 WeakPolarHBondContact O-CG 3.2Å; T869-K873 PolarHBondContact O-N 2.92Å |
| 870 | E | 64.2 | Low | 67.5 | Low | 45 Ų | 45 | 64.2 Ų | 64.2 | 21% | 0.21 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -83.7 | -40 | 176.2 | -72.3 | 159.7 | 137.9 | 0 | 0 | 111.7 | L866 S867 S868 Q872 K873 L874 | L866-E870 HydrophobicContact CB-CB 4.17Å; L866-E870 HydrophobicContact CD2-CB 4.36Å; S867-E870 WeakPolarHBondContact CB-OE2 3.43Å; S867-E870 PolarHBondContact N-OE2 2.82Å; S867-E870 WeakPolarHBondContact O-CA 3.37Å; S867-E870 PolarHBondContact O-N 2.72Å; S867-E870 VanDerWaalsContact OG-CD 3.23Å; S867-E870 VanDerWaalsContact OG-CG 3.28Å; S867-E870 WeakPolarHBondContact OG-CG 3.22Å; S867-E870 PolarHBondContact OG-N 3.14Å; S867-E870 PolarHBondContact OG-OE2 3.27Å; S868-E870 VanDerWaalsContact C-N 3.34Å; S868-E870 PolarHBondContact O-N 3.13Å; E870-Q872 VanDerWaalsContact C-N 3.31Å; E870-Q872 PolarHBondContact O-N 3.44Å; E870-K873 PolarHBondContact O-N 2.92Å; E870-L874 WeakPolarHBondContact O-CB 3.11Å; E870-L874 PolarHBondContact O-N 3.23Å |
| 871 | R | 63.5 | Low | 65.5 | Low | 87 Ų | 87 | 66.1 Ų | 66.1 | 33% | 0.328 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 169.9 | -81.4 | -167.6 | 174.7 | -161.4 | -3.5 | 110.8 | L866 S867 L874 E875 D907 | L866-R871 HydrophobicContact CB-CG 3.91Å; L866-R871 HydrophobicContact CD1-CG 4.46Å; S867-R871 PolarHBondContact O-N 2.81Å; R871-L874 WeakPolarHBondContact O-CB 3.28Å; R871-L874 PolarHBondContact O-N 2.84Å; R871-E875 WeakPolarHBondContact O-CG 3.45Å; R871-E875 PolarHBondContact O-N 3.06Å; R871-D907 IonicContact NH2-OD1 2.71Å; R871-D907 PolarHBondContact NH2-OD1 3Å |
| 872 | Q | 59.7 | Low | 63.1 | Low | 125 Ų | 125 | 68.9 Ų | 68.9 | 58% | 0.584 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.8 | -46.6 | -179.1 | -163.9 | 164 | 11.7 | 0 | 0 | 111.9 | S868 E870 L874 E875 D876 | S868-Q872 VanDerWaalsContact O-CB 3.3Å; S868-Q872 WeakPolarHBondContact O-CB 3.13Å; S868-Q872 PolarHBondContact O-N 3.43Å; E870-Q872 VanDerWaalsContact C-N 3.31Å; E870-Q872 PolarHBondContact O-N 3.44Å; Q872-L874 PolarHBondContact O-N 2.99Å; Q872-E875 PolarHBondContact O-N 3.23Å; Q872-D876 WeakPolarHBondContact O-CB 3.29Å; Q872-D876 VanDerWaalsContact O-CG 3.27Å; Q872-D876 PolarHBondContact O-N 2.99Å |
| 873 | K | 61.2 | Low | 60.8 | Low | 127 Ų | 127 | 74.3 Ų | 74.3 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -56.1 | -39 | 170.6 | -79.3 | 176 | -179.4 | 178.5 | 0 | 112.6 | T869 E870 T877 | T869-K873 WeakPolarHBondContact O-CB 3.49Å; T869-K873 VanDerWaalsContact O-CG 3.23Å; T869-K873 WeakPolarHBondContact O-CG 3.2Å; T869-K873 PolarHBondContact O-N 2.92Å; E870-K873 PolarHBondContact O-N 2.92Å; K873-T877 WeakPolarHBondContact O-CB 3.42Å; K873-T877 PolarHBondContact O-N 3.18Å; K873-T877 PolarHBondContact O-OG1 3.23Å |
| 874 | L | 61.8 | Low | 58.6 | Low | 4 Ų | 4 | 81.9 Ų | 81.9 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.2 | -46 | 178 | 174 | 60.3 | 0 | 0 | 0 | 111.6 | L866 E870 R871 Q872 T877 L878 L885 L889 F890 I908 | L866-L874 HydrophobicContact CD1-CD2 4Å; E870-L874 WeakPolarHBondContact O-CB 3.11Å; E870-L874 PolarHBondContact O-N 3.23Å; R871-L874 WeakPolarHBondContact O-CB 3.28Å; R871-L874 PolarHBondContact O-N 2.84Å; Q872-L874 PolarHBondContact O-N 2.99Å; L874-T877 PolarHBondContact O-N 2.86Å; L874-L878 HydrophobicContact CD1-CD1 3.99Å; L874-L878 HydrophobicContact CD1-CG 4.05Å; L874-L878 HydrophobicContact CG-CD1 3.94Å; L874-L878 HydrophobicContact CG-CG 4.44Å; L874-L878 WeakPolarHBondContact O-CB 3.42Å; L874-L878 VanDerWaalsContact O-CG 3.29Å; L874-L878 WeakPolarHBondContact O-CG 3.42Å; L874-L878 PolarHBondContact O-N 2.75Å; L874-L885 HydrophobicContact CD1-CD1 3.99Å; L874-L885 HydrophobicContact CD1-CD2 3.8Å; L874-L885 HydrophobicContact CD1-CG 4.43Å; L874-L889 HydrophobicContact CB-CD2 4.34Å; L874-F890 HydrophobicContact CD1-CE2 3.98Å; L874-F890 HydrophobicContact CD1-CZ 3.53Å; L874-F890 HydrophobicContact CD2-CE1 3.88Å; L874-F890 HydrophobicContact CD2-CZ 3.5Å; L874-F890 VanDerWaalsContact CD2-CZ 3.5Å; L874-F890 HydrophobicContact CG-CZ 4.11Å; L874-I908 HydrophobicContact CD2-CD1 3.29Å |
| 875 | E | 62.3 | Low | 56.6 | Low | 100 Ų | 100 | 83.4 Ų | 83.4 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 176.7 | -70.8 | -169.6 | 142.1 | 0 | 0 | 111.8 | R871 Q872 T877 L878 Q879 | R871-E875 WeakPolarHBondContact O-CG 3.45Å; R871-E875 PolarHBondContact O-N 3.06Å; Q872-E875 PolarHBondContact O-N 3.23Å; E875-T877 VanDerWaalsContact C-N 3.34Å; E875-T877 PolarHBondContact O-N 2.89Å; E875-L878 PolarHBondContact O-N 3.43Å; E875-Q879 WeakPolarHBondContact O-CB 3.21Å; E875-Q879 VanDerWaalsContact O-CG 3.27Å; E875-Q879 WeakPolarHBondContact O-CG 3.29Å; E875-Q879 PolarHBondContact O-N 2.9Å |
| 876 | D | 55.6 | Low | 55 | Low | 75 Ų | 75 | 83.3 Ų | 83.3 | 40% | 0.401 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 170.5 | -69.6 | -31.7 | 0 | 0 | 0 | 111.3 | Q872 Q879 Q880 | Q872-D876 WeakPolarHBondContact O-CB 3.29Å; Q872-D876 VanDerWaalsContact O-CG 3.27Å; Q872-D876 PolarHBondContact O-N 2.99Å; D876-Q879 PolarHBondContact O-N 3.15Å; D876-Q880 WeakPolarHBondContact O-CB 3.19Å; D876-Q880 WeakPolarHBondContact O-CG 3.28Å; D876-Q880 PolarHBondContact O-N 2.86Å |
| 877 | T | 56.9 | Low | 53.9 | Low | 33 Ų | 33 | 87.8 Ų | 87.8 | 20% | 0.202 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -71.8 | -35.1 | -179.2 | -47.6 | 0 | 0 | 0 | 0 | 112.1 | K873 L874 E875 Q880 Q881 T882 L885 | K873-T877 WeakPolarHBondContact O-CB 3.42Å; K873-T877 PolarHBondContact O-N 3.18Å; K873-T877 PolarHBondContact O-OG1 3.23Å; L874-T877 PolarHBondContact O-N 2.86Å; E875-T877 VanDerWaalsContact C-N 3.34Å; E875-T877 PolarHBondContact O-N 2.89Å; T877-Q880 PolarHBondContact O-N 3.37Å; T877-Q881 PolarHBondContact O-N 3.49Å; T877-T882 WeakPolarHBondContact CG2-OG1 3.39Å; T877-L885 HydrophobicContact CG2-CD1 3.45Å; T877-L885 VanDerWaalsContact CG2-CD1 3.45Å |
| 878 | L | 54.5 | Low | 53 | Low | 73 Ų | 73 | 91.6 Ų | 91.6 | 38% | 0.382 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 172.6 | -73.5 | 168.5 | 0 | 0 | 0 | 111.5 | L874 E875 Q880 Q881 L924 | L874-L878 HydrophobicContact CD1-CD1 3.99Å; L874-L878 HydrophobicContact CD1-CG 4.05Å; L874-L878 HydrophobicContact CG-CD1 3.94Å; L874-L878 HydrophobicContact CG-CG 4.44Å; L874-L878 WeakPolarHBondContact O-CB 3.42Å; L874-L878 VanDerWaalsContact O-CG 3.29Å; L874-L878 WeakPolarHBondContact O-CG 3.42Å; L874-L878 PolarHBondContact O-N 2.75Å; E875-L878 PolarHBondContact O-N 3.43Å; L878-Q880 PolarHBondContact O-N 3Å; L878-Q881 PolarHBondContact O-N 3.31Å; L878-L924 HydrophobicContact CD1-CD2 4.18Å; L878-L924 HydrophobicContact CD2-CD2 4.28Å |
| 879 | Q | 48.5 | Very low | 52.3 | Low | 151 Ų | 151 | 89 Ų | 89 | 71% | 0.706 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.1 | -29.2 | 172 | -72.5 | 178.9 | 51.9 | 0 | 0 | 112.3 | E875 D876 Q881 | E875-Q879 WeakPolarHBondContact O-CB 3.21Å; E875-Q879 VanDerWaalsContact O-CG 3.27Å; E875-Q879 WeakPolarHBondContact O-CG 3.29Å; E875-Q879 PolarHBondContact O-N 2.9Å; D876-Q879 PolarHBondContact O-N 3.15Å; Q879-Q881 VanDerWaalsContact C-N 3.33Å; Q879-Q881 PolarHBondContact O-N 2.76Å |
| 880 | Q | 44.7 | Very low | 52 | Low | 95 Ų | 95 | 85 Ų | 85 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -4.7 | 176.5 | -74 | 175.5 | 32.3 | 0 | 0 | 114.9 | D876 T877 L878 T882 K1206 | D876-Q880 WeakPolarHBondContact O-CB 3.19Å; D876-Q880 WeakPolarHBondContact O-CG 3.28Å; D876-Q880 PolarHBondContact O-N 2.86Å; T877-Q880 PolarHBondContact O-N 3.37Å; L878-Q880 PolarHBondContact O-N 3Å; Q880-T882 PolarHBondContact O-N 2.9Å; Q880-K1206 HydrophobicContact CB-CD 4.25Å; Q880-K1206 WeakPolarHBondContact O-CD 3.31Å; Q880-K1206 WeakPolarHBondContact O-CE 3.25Å; Q880-K1206 WeakPolarHBondContact O-CG 3.34Å |
| 881 | Q | 42.1 | Very low | 51.4 | Low | 142 Ų | 142 | 88.3 Ų | 88.3 | 66% | 0.664 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 24.7 | 178.4 | -62.9 | -165.6 | 4.3 | 0 | 0 | 115.6 | T877 L878 Q879 K883 | T877-Q881 PolarHBondContact O-N 3.49Å; L878-Q881 PolarHBondContact O-N 3.31Å; Q879-Q881 VanDerWaalsContact C-N 3.33Å; Q879-Q881 PolarHBondContact O-N 2.76Å; Q881-K883 PolarHBondContact O-N 3Å; Q881-K883 VanDerWaalsContact O-N 3.12Å |
| 882 | T | 37.9 | Very low | 50.9 | Low | 58 Ų | 58 | 88 Ų | 88 | 36% | 0.356 | 46% | 0.455 | S | S | . | . | trans | -69.1 | 112.2 | 179.4 | 37.3 | 0 | 0 | 0 | 0 | 110 | T877 Q880 H884 | T877-T882 WeakPolarHBondContact CG2-OG1 3.39Å; Q880-T882 PolarHBondContact O-N 2.9Å; T882-H884 PolarHBondContact O-N 3.47Å | ||
| 883 | K | 42.1 | Very low | 50.9 | Low | 124 Ų | 124 | 82.7 Ų | 82.7 | 54% | 0.539 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -60.9 | -14.1 | -169.3 | -76.7 | -175.4 | -178.7 | 156.6 | 0 | 116 | Q881 T1204 | Q881-K883 PolarHBondContact O-N 3Å; Q881-K883 VanDerWaalsContact O-N 3.12Å; K883-T1204 VanDerWaalsContact CD-OG1 3.31Å; K883-T1204 WeakPolarHBondContact CD-OG1 3.2Å; K883-T1204 WeakPolarHBondContact CE-OG1 3.4Å; K883-T1204 PolarHBondContact NZ-OG1 3.46Å |
| 884 | H | 43.3 | Very low | 51.4 | Low | 161 Ų | 161 | 82.6 Ų | 82.6 | 75% | 0.745 | 44% | 0.437 | S | S | * | . | trans | -120.5 | 86 | 173.9 | -70.1 | -81.4 | 0 | 0 | 0 | 109.4 | T882 | T882-H884 PolarHBondContact O-N 3.47Š| ||
| 885 | L | 45.1 | Very low | 52.4 | Low | 33 Ų | 33 | 86.7 Ų | 86.7 | 17% | 0.173 | 46% | 0.456 | C | S | . | . | trans | -63.8 | 121.1 | 164.1 | -161.5 | 73.3 | 0 | 0 | 0 | 107.6 | L874 T877 T887 F890 I925 | L874-L885 HydrophobicContact CD1-CD1 3.99Å; L874-L885 HydrophobicContact CD1-CD2 3.8Å; L874-L885 HydrophobicContact CD1-CG 4.43Å; T877-L885 HydrophobicContact CG2-CD1 3.45Å; T877-L885 VanDerWaalsContact CG2-CD1 3.45Å; L885-T887 PolarHBondContact O-N 2.88Å; L885-F890 HydrophobicContact CD2-CE2 3.65Å; L885-F890 HydrophobicContact CD2-CZ 4.16Å; L885-F890 HydrophobicContact CG-CE2 4.28Å; L885-I925 HydrophobicContact CD2-CD1 3.61Å; L885-I925 HydrophobicContact CD2-CG1 3.73Å | ||
| 886 | P | 46.8 | Very low | 53.4 | Low | 70 Ų | 70 | 88 Ų | 88 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | trans | -68.7 | 121.6 | -173.5 | 25.2 | -32.3 | 0 | 0 | 0 | 110.4 | N888 L889 | P886-N888 PolarHBondContact O-N 3.21Å; P886-L889 HydrophobicContact CG-CB 4.46Å; P886-L889 WeakPolarHBondContact O-CB 3.43Å; P886-L889 PolarHBondContact O-N 2.92Å | ||
| 887 | T | 47.8 | Very low | 54.8 | Low | 107 Ų | 107 | 92.3 Ų | 92.3 | 66% | 0.656 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -51.2 | -33.2 | -179.6 | -36.3 | 0 | 0 | 0 | 0 | 112.4 | L885 L889 F890 | L885-T887 PolarHBondContact O-N 2.88Å; T887-L889 PolarHBondContact O-N 2.87Å; T887-F890 PolarHBondContact O-N 3.26Å |
| 888 | N | 49.4 | Very low | 56.2 | Low | 127 Ų | 127 | 91.2 Ų | 91.2 | 68% | 0.679 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -62.6 | -20.6 | -179.1 | -54.5 | 13.2 | 0 | 0 | 0 | 113.6 | P886 F890 T891 | P886-N888 PolarHBondContact O-N 3.21Å; N888-F890 PolarHBondContact O-N 3.27Å; N888-T891 WeakPolarHBondContact CA-OG1 3.4Å; N888-T891 PolarHBondContact O-OG1 3.2Å |
| 889 | L | 51.5 | Low | 57.6 | Low | 43 Ų | 43 | 90 Ų | 90 | 23% | 0.225 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -68.5 | -17.1 | 178.3 | -156.4 | 85.5 | 0 | 0 | 0 | 112.7 | L874 P886 T887 | L874-L889 HydrophobicContact CB-CD2 4.34Å; P886-L889 HydrophobicContact CG-CB 4.46Å; P886-L889 WeakPolarHBondContact O-CB 3.43Å; P886-L889 PolarHBondContact O-N 2.92Å; T887-L889 PolarHBondContact O-N 2.87Å |
| 890 | F | 53.3 | Low | 59.2 | Low | 5 Ų | 5 | 84.1 Ų | 84.1 | 2% | 0.022 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -16.6 | -172.5 | -74.7 | -88.2 | 0 | 0 | 0 | 114.1 | L866 L874 L885 T887 N888 S892 G893 I908 I925 W962 | L866-F890 HydrophobicContact CD1-CD1 4.36Å; L866-F890 HydrophobicContact CD1-CE1 3.92Å; L866-F890 HydrophobicContact CD2-CD1 4.4Å; L874-F890 HydrophobicContact CD1-CE2 3.98Å; L874-F890 HydrophobicContact CD1-CZ 3.53Å; L874-F890 HydrophobicContact CD2-CE1 3.88Å; L874-F890 HydrophobicContact CD2-CZ 3.5Å; L874-F890 VanDerWaalsContact CD2-CZ 3.5Å; L874-F890 HydrophobicContact CG-CZ 4.11Å; L885-F890 HydrophobicContact CD2-CE2 3.65Å; L885-F890 HydrophobicContact CD2-CZ 4.16Å; L885-F890 HydrophobicContact CG-CE2 4.28Å; T887-F890 PolarHBondContact O-N 3.26Å; N888-F890 PolarHBondContact O-N 3.27Å; F890-S892 PolarHBondContact O-N 3.07Å; F890-G893 PolarHBondContact O-N 2.92Å; F890-I908 HydrophobicContact CE1-CD1 4.4Å; F890-I925 HydrophobicContact CD1-CD1 4.45Å; F890-I925 HydrophobicContact CD2-CD1 3.67Å; F890-I925 HydrophobicContact CE1-CD1 4.14Å; F890-I925 HydrophobicContact CE2-CD1 3.35Å; F890-I925 HydrophobicContact CG-CD1 4.2Å; F890-I925 HydrophobicContact CZ-CD1 3.57Å; F890-W962 HydrophobicContact CB-CE3 4.18Å; F890-W962 HydrophobicContact CB-CH2 3.63Å; F890-W962 HydrophobicContact CB-CZ2 4.08Å; F890-W962 HydrophobicContact CB-CZ3 3.65Å; F890-W962 HydrophobicContact CD1-CD2 4.29Å; F890-W962 AromaticContact CD1-CE3 3.41Å; F890-W962 HydrophobicContact CD1-CE3 3.41Å; F890-W962 VanDerWaalsContact CD1-CE3 3.41Å; F890-W962 HydrophobicContact CD1-CH2 4.26Å; F890-W962 AromaticContact CD1-CZ3 3.38Å; F890-W962 HydrophobicContact CD1-CZ3 3.38Å; F890-W962 HydrophobicContact CE1-CE3 4Å; F890-W962 HydrophobicContact CE1-CZ3 4.34Å; F890-W962 HydrophobicContact CG-CE3 4Å; F890-W962 HydrophobicContact CG-CH2 4.35Å; F890-W962 AromaticContact CG-CZ3 3.88Å; F890-W962 HydrophobicContact CG-CZ3 3.88Å |
| 891 | T | 51.7 | Low | 60.7 | Low | 114 Ų | 114 | 82.9 Ų | 82.9 | 70% | 0.699 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -9.3 | 171.7 | 34.9 | 0 | 0 | 0 | 0 | 114 | N888 | N888-T891 WeakPolarHBondContact CA-OG1 3.4Å; N888-T891 PolarHBondContact O-OG1 3.2Å |
| 892 | S | 52.1 | Low | 62.5 | Low | 82 Ų | 82 | 76.8 Ų | 76.8 | 57% | 0.573 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -15.2 | 177 | -58.2 | 0 | 0 | 0 | 0 | 114 | F890 | F890-S892 PolarHBondContact O-N 3.07Š|
| 893 | G | 60.6 | Low | 64.7 | Low | 12 Ų | 12 | 74.3 Ų | 74.3 | 12% | 0.124 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -76.1 | 145.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D865 F890 E895 | D865-G893 WeakPolarHBondContact O-CA 3.39Å; F890-G893 PolarHBondContact O-N 2.92Å; G893-E895 PolarHBondContact O-N 3.33Å |
| 894 | I | 70.7 | Confident | 66.7 | Low | 125 Ų | 125 | 70.3 Ų | 70.3 | 64% | 0.641 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 109.2 | 179.9 | -61.8 | 176 | 0 | 0 | 0 | 108.8 | D865 K896 | D865-I894 PolarHBondContact N-O 3.07Å; D865-I894 PolarHBondContact O-N 3.37Å; I894-K896 PolarHBondContact O-N 3.08Å |
| 895 | E | 83.5 | Confident | 68.5 | Low | 91 Ų | 91 | 68.2 Ų | 68.2 | 43% | 0.425 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 119.5 | 174.1 | -64.9 | -173.9 | -161.2 | 0 | 0 | 110.7 | T862 L863 I864 G893 K910 | T862-E895 HydrophobicContact CG2-CB 4.39Å; L863-E895 WeakPolarHBondContact O-CA 3.39Å; I864-E895 HydrophobicContact CG1-CG 4.31Å; G893-E895 PolarHBondContact O-N 3.33Å; E895-K910 HydrophobicContact CG-CD 4.5Å; E895-K910 WeakPolarHBondContact OE1-CD 3.32Å; E895-K910 IonicContact OE1-NZ 3.67Å; E895-K910 PolarHBondContact OE1-NZ 2.65Å; E895-K910 VanDerWaalsContact OE2-CD 3.31Å; E895-K910 WeakPolarHBondContact OE2-CD 3.31Å; E895-K910 IonicContact OE2-NZ 3.98Å; E895-K910 PolarHBondContact OE2-NZ 2.96Å |
| 896 | K | 84.1 | Confident | 70.2 | Confident | 126 Ų | 126 | 70.4 Ų | 70.4 | 55% | 0.548 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 118.4 | 179.8 | -171.5 | 174.2 | -177.6 | 176.3 | 0 | 110.2 | L863 I894 I898 | L863-K896 WeakPolarHBondContact CB-O 3.18Å; L863-K896 PolarHBondContact N-O 3.11Å; L863-K896 PolarHBondContact O-N 3.38Å; I894-K896 PolarHBondContact O-N 3.08Å; K896-I898 HydrophobicContact CD-CG2 4.37Å; K896-I898 HydrophobicContact CG-CG2 4.15Å; K896-I898 PolarHBondContact O-N 3Å |
| 897 | R | 84.6 | Confident | 72.1 | Confident | 166 Ų | 166 | 67.2 Ų | 67.2 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 130.3 | 165.6 | -63.2 | -175.8 | -164 | -104 | -0.3 | 108.9 | E860 | E860-R897 WeakPolarHBondContact OE2-CD 3.45Å |
| 898 | I | 86.3 | Confident | 74.1 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.8 | 173.3 | 57.1 | 170.3 | 0 | 0 | 0 | 109.9 | E860 A861 L863 K896 L902 V903 | E860-I898 CarbonylContact C-O 3.45Å; E860-I898 WeakPolarHBondContact CA-O 3.49Å; A861-I898 PolarHBondContact N-O 3.01Å; A861-I898 PolarHBondContact O-N 3.46Å; L863-I898 HydrophobicContact CB-CD1 3.97Å; L863-I898 HydrophobicContact CB-CG1 4.14Å; L863-I898 HydrophobicContact CD2-CD1 4.19Å; K896-I898 HydrophobicContact CD-CG2 4.37Å; K896-I898 HydrophobicContact CG-CG2 4.15Å; K896-I898 PolarHBondContact O-N 3Å; I898-L902 HydrophobicContact CD1-CB 4.39Å; I898-V903 HydrophobicContact CD1-CG2 3.91Å; I898-V903 HydrophobicContact CG1-CG2 4.31Å |
| 899 | P | 83 | Confident | 76.1 | Confident | 48 Ų | 48 | 56.6 Ų | 56.6 | 31% | 0.312 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 143 | 165.5 | -25.4 | 33.5 | 0 | 0 | 0 | 111.4 | E901 L902 | P899-E901 WeakPolarHBondContact CB-OE2 3.46Å; P899-E901 PolarHBondContact O-N 2.64Å; P899-E901 VanDerWaalsContact O-N 3.14Å; P899-L902 HydrophobicContact CB-CG 4.36Å; P899-L902 HydrophobicContact CG-CD1 4.26Å; P899-L902 PolarHBondContact O-N 2.92Å |
| 900 | V | 83.3 | Confident | 78 | Confident | 27 Ų | 27 | 56 Ų | 56 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -59.4 | -29.9 | -177 | 80.2 | 0 | 0 | 0 | 0 | 112.2 | A858 K859 L902 V903 P918 V919 | A858-V900 WeakPolarHBondContact O-CB 3.29Å; A858-V900 VanDerWaalsContact O-CG1 3.28Å; A858-V900 WeakPolarHBondContact O-CG1 3.41Å; K859-V900 PolarHBondContact O-N 2.81Å; K859-V900 VanDerWaalsContact O-N 3.13Å; V900-L902 PolarHBondContact O-N 3.25Å; V900-V903 WeakPolarHBondContact O-CG2 2.96Å; V900-V903 PolarHBondContact O-N 2.85Å; V900-P918 HydrophobicContact CG2-CB 4.02Å; V900-P918 WeakPolarHBondContact CG2-O 3.4Å; V900-V919 HydrophobicContact CG2-CG1 3.65Å |
| 901 | E | 76.7 | Confident | 79.8 | Confident | 70 Ų | 70 | 55.8 Ų | 55.8 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -69.2 | -12.8 | 178.8 | -55 | 102.1 | 147 | 0 | 0 | 114 | L657 R659 P899 | L657-E901 HydrophobicContact CD2-CB 3.37Å; L657-E901 HydrophobicContact CD2-CG 3.89Å; R659-E901 WeakPolarHBondContact CG-OE1 3.16Å; R659-E901 IonicContact CZ-OE1 2.81Å; R659-E901 IonicContact CZ-OE2 3.44Å; R659-E901 IonicContact NE-OE1 2.91Å; R659-E901 PolarHBondContact NE-OE1 2.82Å; R659-E901 IonicContact NE-OE2 2.75Å; R659-E901 IonicContact NH2-OE1 3.5Å; R659-E901 PolarHBondContact NH2-OE1 2.97Å; R659-E901 IonicContact NH2-OE2 3.45Å; R659-E901 PolarHBondContact NH2-OE2 2.85Å; P899-E901 WeakPolarHBondContact CB-OE2 3.46Å; P899-E901 PolarHBondContact O-N 2.64Å; P899-E901 VanDerWaalsContact O-N 3.14Å |
| 902 | L | 79.6 | Confident | 81.6 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -100 | 2.1 | 177.5 | -59.3 | -173 | 0 | 0 | 0 | 113.4 | P641 R642 M645 L657 I898 P899 V900 H904 | P641-L902 HydrophobicContact CB-CD2 3.86Å; R642-L902 PolarHBondContact NE-O 3.1Å; R642-L902 PolarHBondContact NH2-O 3.38Å; M645-L902 HydrophobicContact CE-CD1 4.34Å; M645-L902 HydrophobicContact SD-CD1 3.48Å; M645-L902 WeakPolarHBondContact SD-CD1 3.41Å; M645-L902 HydrophobicContact SD-CD2 3.7Å; M645-L902 HydrophobicContact SD-CG 4.27Å; L657-L902 HydrophobicContact CD1-CD2 4.45Å; I898-L902 HydrophobicContact CD1-CB 4.39Å; P899-L902 HydrophobicContact CB-CG 4.36Å; P899-L902 HydrophobicContact CG-CD1 4.26Å; P899-L902 PolarHBondContact O-N 2.92Å; V900-L902 PolarHBondContact O-N 3.25Å; L902-H904 PolarHBondContact O-CD2 2.89Å |
| 903 | V | 83.9 | Confident | 83.2 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | trans | -74.8 | 134.6 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | A861 I898 V900 D907 I909 V919 A965 V968 | A861-V903 HydrophobicContact CB-CG2 3.59Å; I898-V903 HydrophobicContact CD1-CG2 3.91Å; I898-V903 HydrophobicContact CG1-CG2 4.31Å; V900-V903 WeakPolarHBondContact O-CG2 2.96Å; V900-V903 PolarHBondContact O-N 2.85Å; V903-D907 HydrophobicContact CG1-CB 4.42Å; V903-I909 HydrophobicContact CG1-CG2 4.44Å; V903-V919 HydrophobicContact CG1-CG2 4.01Å; V903-A965 HydrophobicContact CG1-CB 4.06Å; V903-V968 HydrophobicContact CB-CG1 4.45Å; V903-V968 HydrophobicContact CG1-CG1 4.15Å | ||
| 904 | H | 83 | Confident | 84.2 | Confident | 41 Ų | 41 | 54.5 Ų | 54.5 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | trans | -104.2 | 156.2 | 177.6 | -59.5 | 173.7 | 0 | 0 | 0 | 111.2 | G640 R642 D643 L902 N906 D907 A965 | G640-H904 WeakPolarHBondContact CA-NE2 3.45Å; R642-H904 WeakPolarHBondContact CB-NE2 3.23Å; R642-H904 PolarHBondContact N-NE2 3.26Å; D643-H904 PolarHBondContact N-NE2 2.79Å; D643-H904 IonicContact OD1-NE2 3.49Å; D643-H904 IonicContact OD2-CE1 2.68Å; D643-H904 IonicContact OD2-NE2 2.86Å; D643-H904 PolarHBondContact OD2-NE2 3.29Å; L902-H904 PolarHBondContact O-CD2 2.89Å; H904-N906 PolarHBondContact O-N 3.22Å; H904-D907 WeakPolarHBondContact CB-OD2 3.39Å; H904-D907 IonicContact CG-OD2 3.47Å; H904-D907 PolarHBondContact N-OD2 2.88Å; H904-D907 WeakPolarHBondContact O-CB 3.4Å; H904-D907 PolarHBondContact O-N 3.03Å; H904-A965 WeakPolarHBondContact O-CB 3.45Å | ||
| 905 | Q | 81.6 | Confident | 84.9 | Confident | 117 Ų | 117 | 50.6 Ų | 50.6 | 55% | 0.547 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 140.7 | 167.4 | -170.4 | -179.5 | 66.9 | 0 | 0 | 109.7 | D907 T966 | Q905-D907 VanDerWaalsContact C-N 3.3Å; Q905-D907 PolarHBondContact O-N 2.76Å; Q905-T966 WeakPolarHBondContact CG-O 3.49Å; Q905-T966 PolarHBondContact NE2-O 3.11Å |
| 906 | N | 81.8 | Confident | 85 | Confident | 79 Ų | 79 | 49.3 Ų | 49.3 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -2.9 | -172.7 | -51.2 | -83.2 | 0 | 0 | 0 | 117 | H904 K964 A965 | H904-N906 PolarHBondContact O-N 3.22Å; N906-K964 VanDerWaalsContact CA-CE 3.45Å; N906-K964 VanDerWaalsContact CB-CE 3.41Å; N906-K964 WeakPolarHBondContact OD1-CE 3.16Å; N906-K964 PolarHBondContact OD1-NZ 3.2Å; N906-A965 PolarHBondContact N-O 3.44Å |
| 907 | D | 86.3 | Confident | 85.3 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | trans | -64.3 | 150.3 | 171.2 | -84.2 | -35.9 | 0 | 0 | 0 | 112 | R642 L863 R871 V903 H904 Q905 K964 A965 | R642-D907 IonicContact CZ-OD2 2.8Å; R642-D907 IonicContact NH1-OD1 3.82Å; R642-D907 PolarHBondContact NH1-OD1 3.34Å; R642-D907 IonicContact NH1-OD2 3.64Å; R642-D907 PolarHBondContact NH1-OD2 3.3Å; R642-D907 IonicContact NH2-OD2 3.65Å; R642-D907 PolarHBondContact NH2-OD2 2.75Å; L863-D907 HydrophobicContact CD1-CB 3.68Å; R871-D907 IonicContact NH2-OD1 2.71Å; R871-D907 PolarHBondContact NH2-OD1 3Å; V903-D907 HydrophobicContact CG1-CB 4.42Å; H904-D907 WeakPolarHBondContact CB-OD2 3.39Å; H904-D907 IonicContact CG-OD2 3.47Å; H904-D907 PolarHBondContact N-OD2 2.88Å; H904-D907 WeakPolarHBondContact O-CB 3.4Å; H904-D907 PolarHBondContact O-N 3.03Å; Q905-D907 VanDerWaalsContact C-N 3.3Å; Q905-D907 PolarHBondContact O-N 2.76Å; D907-K964 CarbonylContact O-C 3.49Å; D907-K964 WeakPolarHBondContact O-CA 3.23Å; D907-A965 PolarHBondContact O-N 2.76Å | ||
| 908 | I | 89.3 | Confident | 85.5 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121.3 | 175.1 | -53.3 | -178 | 0 | 0 | 0 | 108.3 | I864 L866 L874 F890 L924 W962 A963 | I864-I908 HydrophobicContact CD1-CG2 3.97Å; I864-I908 WeakPolarHBondContact CD1-O 3.19Å; I864-I908 PolarHBondContact N-O 3.46Å; I864-I908 VanDerWaalsContact N-O 3.11Å; L866-I908 HydrophobicContact CD1-CD1 4.04Å; L874-I908 HydrophobicContact CD2-CD1 3.29Å; F890-I908 HydrophobicContact CE1-CD1 4.4Å; I908-L924 HydrophobicContact CD1-CD1 3.8Å; I908-L924 HydrophobicContact CG1-CD1 4.06Å; I908-L924 HydrophobicContact CG2-CD1 4.27Å; I908-W962 HydrophobicContact CG2-CE3 4.37Å; I908-A963 WeakPolarHBondContact CA-O 3.41Å |
| 909 | I | 91.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.5 | -179.2 | 48.5 | 168.1 | 0 | 0 | 0 | 110.2 | A861 T862 V903 I911 P918 V919 A963 | A861-I909 HydrophobicContact CB-CG2 4.24Å; T862-I909 CarbonylContact O-C 3.52Å; T862-I909 WeakPolarHBondContact O-CA 3.2Å; V903-I909 HydrophobicContact CG1-CG2 4.44Å; I909-I911 HydrophobicContact CD1-CD1 4.08Å; I909-I911 HydrophobicContact CD1-CG1 4.34Å; I909-P918 HydrophobicContact CD1-CG 3.61Å; I909-V919 HydrophobicContact CD1-CG2 4.07Å; I909-A963 HydrophobicContact CG1-CB 4.23Å; I909-A963 VanDerWaalsContact CG1-O 3.23Å; I909-A963 WeakPolarHBondContact CG1-O 3.31Å; I909-A963 PolarHBondContact N-O 2.91Å; I909-A963 PolarHBondContact O-N 3.31Å |
| 910 | K | 91.4 | Very high | 86 | Confident | 30 Ų | 30 | 33.9 Ų | 33.9 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.2 | 169 | -169.3 | 175.4 | 172.3 | -174.3 | 0 | 108 | T862 I864 E895 L912 I960 W962 | T862-K910 HydrophobicContact CG2-CB 4Å; T862-K910 HydrophobicContact CG2-CD 4.41Å; T862-K910 PolarHBondContact O-N 2.74Å; I864-K910 HydrophobicContact CD1-CB 3.85Å; I864-K910 HydrophobicContact CG1-CB 4.32Å; E895-K910 HydrophobicContact CG-CD 4.5Å; E895-K910 WeakPolarHBondContact OE1-CD 3.32Å; E895-K910 IonicContact OE1-NZ 3.67Å; E895-K910 PolarHBondContact OE1-NZ 2.65Å; E895-K910 VanDerWaalsContact OE2-CD 3.31Å; E895-K910 WeakPolarHBondContact OE2-CD 3.31Å; E895-K910 IonicContact OE2-NZ 3.98Å; E895-K910 PolarHBondContact OE2-NZ 2.96Å; K910-L912 HydrophobicContact CD-CD2 4.5Å; K910-L912 HydrophobicContact CG-CD2 4.46Å; K910-I960 HydrophobicContact CG-CG2 4.01Å; K910-W962 HydrophobicContact CD-CZ2 4.41Å |
| 911 | I | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 116.7 | 177.5 | -48.4 | 176.3 | 0 | 0 | 0 | 107.3 | I909 E915 V917 L950 N956 I960 V961 A963 | I909-I911 HydrophobicContact CD1-CD1 4.08Å; I909-I911 HydrophobicContact CD1-CG1 4.34Å; I911-E915 HydrophobicContact CG2-CB 4.31Å; I911-V917 HydrophobicContact CD1-CB 4.47Å; I911-V917 HydrophobicContact CD1-CG1 4.21Å; I911-V917 HydrophobicContact CD1-CG2 4.21Å; I911-L950 HydrophobicContact CD1-CD1 3.86Å; I911-N956 HydrophobicContact CG2-CB 3.84Å; I911-N956 PolarHBondContact O-ND2 3.27Å; I911-I960 WeakPolarHBondContact O-CA 3.23Å; I911-V961 HydrophobicContact CB-CB 4.47Å; I911-V961 PolarHBondContact N-O 2.68Å; I911-V961 PolarHBondContact O-N 3.45Å; I911-A963 HydrophobicContact CD1-CB 4Å |
| 912 | L | 89.4 | Confident | 86.9 | Confident | 57 Ų | 57 | 31 Ų | 31 | 30% | 0.298 | 17% | 0.174 | S | C | . | . | trans | -82.1 | 158.5 | -178.5 | -58.4 | 173.6 | 0 | 0 | 0 | 111.5 | K910 E915 N956 I960 | K910-L912 HydrophobicContact CD-CD2 4.5Å; K910-L912 HydrophobicContact CG-CD2 4.46Å; L912-E915 HydrophobicContact CB-CB 4.06Å; L912-E915 WeakPolarHBondContact CB-OE2 3.43Å; L912-E915 WeakPolarHBondContact CG-OE2 2.95Å; L912-E915 PolarHBondContact N-OE2 3.44Å; L912-E915 VanDerWaalsContact O-CB 3.22Å; L912-E915 WeakPolarHBondContact O-CB 3.4Å; L912-E915 PolarHBondContact O-N 3.15Å; L912-E915 VanDerWaalsContact O-N 3.1Å; L912-N956 VanDerWaalsContact C-ND2 3.27Å; L912-N956 PolarHBondContact O-ND2 2.96Å; L912-I960 HydrophobicContact CD2-CD1 4.05Å; L912-I960 HydrophobicContact CD2-CG1 4.03Å | ||
| 913 | P | 85.7 | Confident | 87.4 | Confident | 65 Ų | 65 | 30.5 Ų | 30.5 | 42% | 0.422 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 136.5 | 166.1 | -19 | 30.3 | 0 | 0 | 0 | 110.8 | E915 I960 | P913-E915 PolarHBondContact O-N 3.43Å; P913-I960 HydrophobicContact CG-CG1 4.5Å |
| 914 | G | 80.6 | Confident | 87.4 | Confident | 60 Ų | 60 | 31.7 Ų | 31.7 | 62% | 0.619 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | -8.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N956 | G914-N956 WeakPolarHBondContact CA-O 3.19Å; G914-N956 PolarHBondContact N-O 2.64Å |
| 915 | E | 85.2 | Confident | 87.2 | Confident | 42 Ų | 42 | 31.6 Ų | 31.6 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 148 | 179.7 | -162.7 | 170.2 | -152.4 | 0 | 0 | 111.5 | I911 L912 P913 N956 | I911-E915 HydrophobicContact CG2-CB 4.31Å; L912-E915 HydrophobicContact CB-CB 4.06Å; L912-E915 WeakPolarHBondContact CB-OE2 3.43Å; L912-E915 WeakPolarHBondContact CG-OE2 2.95Å; L912-E915 PolarHBondContact N-OE2 3.44Å; L912-E915 VanDerWaalsContact O-CB 3.22Å; L912-E915 WeakPolarHBondContact O-CB 3.4Å; L912-E915 PolarHBondContact O-N 3.15Å; L912-E915 VanDerWaalsContact O-N 3.1Å; P913-E915 PolarHBondContact O-N 3.43Å; E915-N956 PolarHBondContact O-N 3.03Å |
| 916 | K | 86.7 | Confident | 86.8 | Confident | 64 Ų | 64 | 27.3 Ų | 27.3 | 28% | 0.278 | 17% | 0.165 | S | C | . | . | B | Isolated β-bridge | trans | -76.1 | 134.5 | 170.5 | -74 | 172.1 | 163 | -167.7 | 0 | 109.9 | S855 L856 A858 P918 S954 I955 | S855-K916 PolarHBondContact O-NZ 3.22Å; L856-K916 WeakPolarHBondContact O-CD 3.45Å; L856-K916 WeakPolarHBondContact O-CE 3.33Å; L856-K916 PolarHBondContact O-NZ 2.92Å; A858-K916 HydrophobicContact CB-CB 4.32Å; K916-P918 WeakPolarHBondContact O-CD 3.24Å; K916-S954 CarbonylContact C-O 3.57Å; K916-S954 WeakPolarHBondContact CA-O 3.49Å; K916-I955 HydrophobicContact CG-CG1 4.2Å |
| 917 | V | 90.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -58 | 119.5 | 166.4 | 177.3 | 0 | 0 | 0 | 0 | 107.8 | I911 V919 L950 I951 G953 S954 | I911-V917 HydrophobicContact CD1-CB 4.47Å; I911-V917 HydrophobicContact CD1-CG1 4.21Å; I911-V917 HydrophobicContact CD1-CG2 4.21Å; V917-V919 WeakPolarHBondContact CG1-O 3.47Å; V917-L950 HydrophobicContact CG1-CB 3.85Å; V917-L950 HydrophobicContact CG2-CB 4.17Å; V917-L950 HydrophobicContact CG2-CD1 4.18Å; V917-I951 WeakPolarHBondContact CB-O 3.33Å; V917-G953 PolarHBondContact O-N 3.1Å; V917-S954 WeakPolarHBondContact CG2-OG 3.45Å; V917-S954 PolarHBondContact N-O 3.47Å |
| 918 | P | 89.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | trans | -78.7 | -36.2 | -169.1 | 27.9 | -33.6 | 0 | 0 | 0 | 113.5 | A858 A861 V900 I909 K916 | A858-P918 HydrophobicContact CB-CB 3.86Å; A861-P918 HydrophobicContact CB-CB 3.75Å; A861-P918 HydrophobicContact CB-CG 3.71Å; V900-P918 HydrophobicContact CG2-CB 4.02Å; V900-P918 WeakPolarHBondContact CG2-O 3.4Å; I909-P918 HydrophobicContact CD1-CG 3.61Å; K916-P918 WeakPolarHBondContact O-CD 3.24Å | ||
| 919 | V | 89.1 | Confident | 85.9 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.03 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -146.1 | 160 | -178.5 | -61.4 | 0 | 0 | 0 | 0 | 109.7 | V900 V903 I909 V917 S921 A965 V968 | V900-V919 HydrophobicContact CG2-CG1 3.65Å; V903-V919 HydrophobicContact CG1-CG2 4.01Å; I909-V919 HydrophobicContact CD1-CG2 4.07Å; V917-V919 WeakPolarHBondContact CG1-O 3.47Å; V919-S921 PolarHBondContact O-N 2.9Å; V919-S921 PolarHBondContact O-OG 3.41Å; V919-A965 HydrophobicContact CG2-CB 3.83Å; V919-V968 HydrophobicContact CB-CG1 4.13Å; V919-V968 HydrophobicContact CG1-CG1 4.14Å; V919-V968 HydrophobicContact CG2-CG1 4.11Å |
| 920 | D | 89.3 | Confident | 85.4 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 128 | -179 | -60 | -44.1 | 0 | 0 | 0 | 110.4 | L950 I951 G952 T966 H967 S972 A973 | D920-L950 WeakPolarHBondContact CA-O 3.37Å; D920-I951 WeakPolarHBondContact OD1-CA 3.33Å; D920-G952 PolarHBondContact OD1-N 3Å; D920-T966 VanDerWaalsContact C-OG1 3.25Å; D920-T966 PolarHBondContact O-N 3.49Å; D920-T966 PolarHBondContact O-OG1 3.29Å; D920-H967 HydrophobicContact CB-CB 4.15Å; D920-H967 PolarHBondContact N-O 3.34Å; D920-H967 PolarHBondContact O-N 2.94Å; D920-S972 WeakPolarHBondContact OD2-CA 3.41Å; D920-S972 VanDerWaalsContact OD2-CB 3.3Å; D920-S972 WeakPolarHBondContact OD2-CB 3.5Å; D920-A973 PolarHBondContact OD2-N 2.9Å |
| 921 | S | 90.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 150.3 | -164.6 | 48.7 | 0 | 0 | 0 | 0 | 113.5 | V919 D949 L950 K964 | V919-S921 PolarHBondContact O-N 2.9Å; V919-S921 PolarHBondContact O-OG 3.41Å; S921-D949 CarbonylContact O-C 3.48Å; S921-L950 PolarHBondContact N-O 2.7Å; S921-L950 WeakPolarHBondContact O-CB 3.3Å; S921-L950 PolarHBondContact O-N 3.3Å; S921-K964 CarbonylContact C-O 3.55Å; S921-K964 WeakPolarHBondContact CA-O 3.49Å; S921-K964 VanDerWaalsContact CB-O 3.23Å; S921-K964 WeakPolarHBondContact CB-O 3.36Å |
| 922 | V | 89.4 | Confident | 84.1 | Confident | 36 Ų | 36 | 29.3 Ų | 29.3 | 22% | 0.218 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 131.2 | 177.7 | 172 | 0 | 0 | 0 | 0 | 109.6 | L924 A963 K964 T966 | V922-L924 PolarHBondContact O-N 3.02Å; V922-A963 CarbonylContact O-C 3.56Å; V922-A963 VanDerWaalsContact O-CA 3.29Å; V922-A963 WeakPolarHBondContact O-CA 3.38Å; V922-K964 PolarHBondContact N-O 2.87Å; V922-K964 PolarHBondContact O-N 3.48Å; V922-T966 HydrophobicContact CB-CG2 4.45Å; V922-T966 HydrophobicContact CG2-CG2 3.8Å |
| 923 | I | 89.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 123.6 | 177.3 | -59.4 | -173.9 | 0 | 0 | 0 | 110.7 | G926 K944 K945 G947 S948 L950 V961 | I923-G926 WeakPolarHBondContact CG2-O 3.38Å; I923-K944 HydrophobicContact CD1-CB 3.58Å; I923-K945 WeakPolarHBondContact CB-O 3.37Å; I923-G947 PolarHBondContact O-N 2.95Å; I923-S948 PolarHBondContact N-O 2.87Å; I923-S948 VanDerWaalsContact N-O 3.09Å; I923-L950 HydrophobicContact CD1-CD1 4.17Å; I923-L950 HydrophobicContact CD1-CD2 4.11Å; I923-L950 HydrophobicContact CD1-CG 4.18Å; I923-L950 HydrophobicContact CG1-CD1 3.75Å; I923-L950 HydrophobicContact CG1-CD2 4.33Å; I923-L950 HydrophobicContact CG1-CG 3.85Å; I923-V961 HydrophobicContact CB-CG1 4.18Å; I923-V961 HydrophobicContact CD1-CG1 3.73Å; I923-V961 HydrophobicContact CG1-CG1 3.65Å; I923-V961 HydrophobicContact CG2-CG1 3.7Å |
| 924 | L | 84.4 | Confident | 81.5 | Confident | 31 Ų | 31 | 29.6 Ų | 29.6 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -47 | 165.9 | -60.1 | -179.5 | 0 | 0 | 0 | 111.1 | L878 I908 V922 W962 K964 | L878-L924 HydrophobicContact CD1-CD2 4.18Å; L878-L924 HydrophobicContact CD2-CD2 4.28Å; I908-L924 HydrophobicContact CD1-CD1 3.8Å; I908-L924 HydrophobicContact CG1-CD1 4.06Å; I908-L924 HydrophobicContact CG2-CD1 4.27Å; V922-L924 PolarHBondContact O-N 3.02Å; L924-W962 WeakPolarHBondContact CB-O 3.46Å; L924-W962 PolarHBondContact N-O 3.5Å; L924-K964 HydrophobicContact CD1-CB 4.09Å; L924-K964 HydrophobicContact CD2-CB 4.12Å; L924-K964 HydrophobicContact CG-CB 4.02Å |
| 925 | I | 78.9 | Confident | 80.9 | Confident | 40 Ų | 40 | 27.4 Ų | 27.4 | 21% | 0.205 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.2 | -170.7 | -35.9 | 168.2 | 0 | 0 | 0 | 110.6 | L885 F890 W962 | L885-I925 HydrophobicContact CD2-CD1 3.61Å; L885-I925 HydrophobicContact CD2-CG1 3.73Å; F890-I925 HydrophobicContact CD1-CD1 4.45Å; F890-I925 HydrophobicContact CD2-CD1 3.67Å; F890-I925 HydrophobicContact CE1-CD1 4.14Å; F890-I925 HydrophobicContact CE2-CD1 3.35Å; F890-I925 HydrophobicContact CG-CD1 4.2Å; F890-I925 HydrophobicContact CZ-CD1 3.57Å; I925-W962 HydrophobicContact CB-CB 3.9Å; I925-W962 HydrophobicContact CB-CG 4.13Å; I925-W962 HydrophobicContact CD1-CB 3.93Å; I925-W962 HydrophobicContact CD1-CD2 4.39Å; I925-W962 HydrophobicContact CD1-CG 3.94Å; I925-W962 HydrophobicContact CG1-CB 3.97Å; I925-W962 HydrophobicContact CG1-CG 4.37Å; I925-W962 PolarHBondContact N-O 3.3Å; I925-W962 VanDerWaalsContact N-O 3.09Å; I925-W962 PolarHBondContact O-N 3.15Å |
| 926 | G | 72.5 | Confident | 79.7 | Confident | 26 Ų | 26 | 26 Ų | 26 | 27% | 0.268 | 15% | 0.154 | S | C | . | . | trans | 96.1 | 166.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I923 P946 | I923-G926 WeakPolarHBondContact CG2-O 3.38Å; G926-P946 VanDerWaalsContact O-CD 3.24Å; G926-P946 WeakPolarHBondContact O-CD 3.42Å; G926-P946 WeakPolarHBondContact O-CG 3.39Å | ||
| 927 | S | 77.9 | Confident | 77.9 | Confident | 77 Ų | 77 | 23.8 Ų | 23.8 | 54% | 0.538 | 15% | 0.15 | S | C | . | . | trans | -148.3 | 121.9 | 175.1 | 59.5 | 0 | 0 | 0 | 0 | 108.4 | K944 S959 | S927-K944 WeakPolarHBondContact CA-O 3.4Å; S927-S959 PolarHBondContact O-OG 2.79Å | ||
| 928 | T | 81.6 | Confident | 76.3 | Confident | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 177.7 | -168.2 | -165.1 | 0 | 0 | 0 | 0 | 110.8 | K944 N956 A958 S959 V961 | T928-K944 HydrophobicContact CG2-CB 4.18Å; T928-K944 PolarHBondContact N-O 3.01Å; T928-K944 VanDerWaalsContact N-O 3.13Å; T928-K944 PolarHBondContact O-N 2.57Å; T928-N956 WeakPolarHBondContact CB-OD1 3.42Å; T928-N956 VanDerWaalsContact CG2-OD1 3.31Å; T928-N956 WeakPolarHBondContact CG2-OD1 3.26Å; T928-N956 PolarHBondContact OG1-OD1 3.07Å; T928-A958 PolarHBondContact OG1-N 2.72Å; T928-A958 VanDerWaalsContact OG1-N 3.09Å; T928-S959 PolarHBondContact OG1-N 2.94Å; T928-V961 HydrophobicContact CG2-CG2 3.63Å |
| 929 | S | 80.2 | Confident | 74.1 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.7 | 155.4 | 53.7 | 0 | 0 | 0 | 0 | 108.7 | V942 L957 | S929-V942 WeakPolarHBondContact CA-O 3.23Å; S929-L957 WeakPolarHBondContact O-CB 3.5Å; S929-L957 PolarHBondContact O-N 3.39Å |
| 930 | C | 79.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.5 | 175 | -72.9 | 0 | 0 | 0 | 0 | 109.5 | E932 P941 V942 K944 L950 I955 | C930-E932 PolarHBondContact O-N 3.18Å; C930-P941 CarbonylContact O-C 3.59Å; C930-P941 WeakPolarHBondContact O-CA 3.47Å; C930-V942 PolarHBondContact N-O 3.29Å; C930-V942 PolarHBondContact O-N 2.99Å; C930-K944 HydrophobicContact CB-CG 4.1Å; C930-L950 HydrophobicContact CB-CD2 4.49Å; C930-L950 WeakPolarHBondContact SG-CD2 3.4Å; C930-I955 CarbonylContact C-O 3.6Å; C930-I955 VanDerWaalsContact CA-O 3.25Å; C930-I955 WeakPolarHBondContact CA-O 3.34Å |
| 931 | D | 78.2 | Confident | 71.3 | Confident | 36 Ų | 36 | 42 Ų | 42 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 113.1 | 166.6 | -177.1 | 15.2 | 0 | 0 | 0 | 109.3 | S933 S954 I955 L957 | D931-S933 VanDerWaalsContact CG-OG 3.26Å; D931-S933 WeakPolarHBondContact OD1-CB 3.28Å; D931-S933 PolarHBondContact OD1-N 3.47Å; D931-S933 PolarHBondContact OD1-OG 3.28Å; D931-S933 PolarHBondContact OD2-OG 2.99Å; D931-S933 VanDerWaalsContact OD2-OG 3.09Å; D931-S954 WeakPolarHBondContact O-CA 3.29Å; D931-S954 WeakPolarHBondContact O-CB 3.45Å; D931-I955 HydrophobicContact CB-CB 4.33Å; D931-I955 PolarHBondContact N-O 3.13Å; D931-I955 PolarHBondContact O-N 3.46Å; D931-L957 HydrophobicContact CB-CD1 4.21Å; D931-L957 HydrophobicContact CB-CD2 4.18Å; D931-L957 HydrophobicContact CB-CG 4.32Å |
| 932 | E | 77.6 | Confident | 70.5 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | trans | -103.9 | 3.9 | 175.3 | -62.4 | -177.2 | 163.5 | 0 | 0 | 111.6 | C930 L934 I935 T936 V942 K944 | C930-E932 PolarHBondContact O-N 3.18Å; E932-L934 PolarHBondContact O-N 3.33Å; E932-I935 CarbonylContact O-C 3.56Å; E932-I935 PolarHBondContact O-N 3.31Å; E932-T936 HydrophobicContact CB-CG2 4.02Å; E932-T936 WeakPolarHBondContact CB-OG1 3.39Å; E932-T936 PolarHBondContact O-N 3.48Å; E932-T936 PolarHBondContact O-OG1 3.03Å; E932-T936 VanDerWaalsContact O-OG1 3.07Å; E932-V942 HydrophobicContact CG-CG2 4.47Å; E932-K944 WeakPolarHBondContact OE1-CE 3.4Å; E932-K944 IonicContact OE1-NZ 2.66Å; E932-K944 PolarHBondContact OE1-NZ 3.3Å | ||
| 933 | S | 60.6 | Low | 69.9 | Low | 41 Ų | 41 | 47.6 Ų | 47.6 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.1 | -173.5 | 68.2 | 0 | 0 | 0 | 0 | 114.3 | D931 I935 G937 E938 | D931-S933 VanDerWaalsContact CG-OG 3.26Å; D931-S933 WeakPolarHBondContact OD1-CB 3.28Å; D931-S933 PolarHBondContact OD1-N 3.47Å; D931-S933 PolarHBondContact OD1-OG 3.28Å; D931-S933 PolarHBondContact OD2-OG 2.99Å; D931-S933 VanDerWaalsContact OD2-OG 3.09Å; S933-I935 VanDerWaalsContact C-N 3.31Å; S933-G937 WeakPolarHBondContact O-CA 3.49Å; S933-G937 PolarHBondContact O-N 2.83Å; S933-E938 WeakPolarHBondContact CA-O 3.48Å; S933-E938 VanDerWaalsContact CB-O 3.22Å; S933-E938 WeakPolarHBondContact CB-O 3.29Å |
| 934 | L | 61.3 | Low | 69.4 | Low | 88 Ų | 88 | 48.5 Ų | 48.5 | 46% | 0.461 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.4 | 176.9 | -66.7 | 166.6 | 0 | 0 | 0 | 113.7 | L856 E932 I955 | L856-L934 HydrophobicContact CD1-CB 3.99Å; L856-L934 WeakPolarHBondContact CD1-O 3.41Å; L856-L934 HydrophobicContact CD2-CB 3.73Å; L856-L934 HydrophobicContact CD2-CD1 3.76Å; L856-L934 HydrophobicContact CD2-CD2 4.36Å; L856-L934 HydrophobicContact CD2-CG 4.16Å; E932-L934 PolarHBondContact O-N 3.33Å; L934-I955 HydrophobicContact CD1-CD1 3.88Å |
| 935 | I | 66.5 | Low | 69.1 | Low | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -61.2 | -178.4 | -58.9 | 173.6 | 0 | 0 | 0 | 110.1 | L856 E932 S933 I951 G952 I977 I1747 | L856-I935 HydrophobicContact CD1-CG1 4.02Å; E932-I935 CarbonylContact O-C 3.56Å; E932-I935 PolarHBondContact O-N 3.31Å; S933-I935 VanDerWaalsContact C-N 3.31Å; I935-I951 HydrophobicContact CD1-CG2 3.94Å; I935-I951 HydrophobicContact CG2-CG2 4.48Å; I935-G952 WeakPolarHBondContact CD1-O 2.93Å; I935-I977 HydrophobicContact CG2-CD1 4.21Å; I935-I1747 HydrophobicContact CG2-CG2 4.2Å; I935-I1747 WeakPolarHBondContact O-CD1 3.27Å; I935-I1747 WeakPolarHBondContact O-CG2 2.89Å |
| 936 | T | 60.2 | Low | 69.1 | Low | 12 Ų | 12 | 54 Ų | 54 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -25.3 | 178.4 | 64.6 | 0 | 0 | 0 | 0 | 111.8 | E932 E938 R1748 | E932-T936 HydrophobicContact CB-CG2 4.02Å; E932-T936 WeakPolarHBondContact CB-OG1 3.39Å; E932-T936 PolarHBondContact O-N 3.48Å; E932-T936 PolarHBondContact O-OG1 3.03Å; E932-T936 VanDerWaalsContact O-OG1 3.07Å; T936-E938 PolarHBondContact O-N 2.86Å; T936-E938 PolarHBondContact OG1-N 3.38Å; T936-R1748 WeakPolarHBondContact O-CG 3.19Å; T936-R1748 VanDerWaalsContact O-CZ 3.29Å; T936-R1748 PolarHBondContact O-NE 2.98Å |
| 937 | G | 50.1 | Low | 69.3 | Low | 19 Ų | 19 | 55.6 Ų | 55.6 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | trans | 77 | 4.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S933 S939 R1748 | S933-G937 WeakPolarHBondContact O-CA 3.49Å; S933-G937 PolarHBondContact O-N 2.83Å; G937-S939 PolarHBondContact O-N 3.13Å; G937-R1748 VanDerWaalsContact C-CZ 3.49Å; G937-R1748 VanDerWaalsContact O-CZ 3.31Å; G937-R1748 PolarHBondContact O-NH1 3Å; G937-R1748 PolarHBondContact O-NH2 3.31Å; G937-R1748 VanDerWaalsContact O-NH2 3.16Å | ||
| 938 | E | 56.1 | Low | 69.2 | Low | 88 Ų | 88 | 53.3 Ų | 53.3 | 41% | 0.411 | 32% | 0.321 | S | S | . | . | trans | -67.7 | 116.4 | 173.7 | -67.7 | -61.2 | 102.5 | 0 | 0 | 109.5 | S933 T936 M940 R1748 | S933-E938 WeakPolarHBondContact CA-O 3.48Å; S933-E938 VanDerWaalsContact CB-O 3.22Å; S933-E938 WeakPolarHBondContact CB-O 3.29Å; T936-E938 PolarHBondContact O-N 2.86Å; T936-E938 PolarHBondContact OG1-N 3.38Å; E938-M940 PolarHBondContact O-N 2.99Å; E938-M940 VanDerWaalsContact O-N 3.13Å; E938-R1748 IonicContact OE1-CZ 2.81Å; E938-R1748 IonicContact OE1-NH1 3.72Å; E938-R1748 PolarHBondContact OE1-NH1 3.15Å | ||
| 939 | S | 42.7 | Very low | 69.2 | Low | 120 Ų | 120 | 58.1 Ų | 58.1 | 84% | 0.839 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -77.3 | 6.9 | -173 | -43.7 | 0 | 0 | 0 | 0 | 114.6 | G937 | G937-S939 PolarHBondContact O-N 3.13Š|
| 940 | M | 59.2 | Low | 69.5 | Low | 152 Ų | 152 | 56.9 Ų | 56.9 | 75% | 0.749 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -130.1 | 129.2 | -178.7 | -162.8 | 174.2 | 85.9 | 0 | 0 | 109.6 | E938 V942 | E938-M940 PolarHBondContact O-N 2.99Å; E938-M940 VanDerWaalsContact O-N 3.13Å; M940-V942 PolarHBondContact O-N 3.39Å |
| 941 | P | 61.1 | Low | 69.7 | Low | 49 Ų | 49 | 58 Ų | 58 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 133.9 | -176.4 | -28.3 | 36.8 | 0 | 0 | 0 | 113.9 | C930 L957 | C930-P941 CarbonylContact O-C 3.59Å; C930-P941 WeakPolarHBondContact O-CA 3.47Å; P941-L957 HydrophobicContact CB-CD1 3.6Å; P941-L957 HydrophobicContact CG-CD1 3.37Å |
| 942 | V | 73 | Confident | 70 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.9 | -178 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | S929 C930 E932 M940 K944 | S929-V942 WeakPolarHBondContact CA-O 3.23Å; C930-V942 PolarHBondContact N-O 3.29Å; C930-V942 PolarHBondContact O-N 2.99Å; E932-V942 HydrophobicContact CG-CG2 4.47Å; M940-V942 PolarHBondContact O-N 3.39Å; V942-K944 HydrophobicContact CG1-CD 4.32Å; V942-K944 PolarHBondContact O-N 3.12Å |
| 943 | V | 78 | Confident | 70 | Confident | 103 Ų | 103 | 55.8 Ų | 55.8 | 62% | 0.624 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.7 | 179.2 | -179 | 0 | 0 | 0 | 0 | 110.7 | ||
| 944 | K | 77.6 | Confident | 71.1 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 10% | 0.096 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 146.7 | -176.8 | -57 | -72.4 | -171.5 | 166.3 | 0 | 110.7 | I923 S927 T928 C930 E932 V942 S948 D949 L950 | I923-K944 HydrophobicContact CD1-CB 3.58Å; S927-K944 WeakPolarHBondContact CA-O 3.4Å; T928-K944 HydrophobicContact CG2-CB 4.18Å; T928-K944 PolarHBondContact N-O 3.01Å; T928-K944 VanDerWaalsContact N-O 3.13Å; T928-K944 PolarHBondContact O-N 2.57Å; C930-K944 HydrophobicContact CB-CG 4.1Å; E932-K944 WeakPolarHBondContact OE1-CE 3.4Å; E932-K944 IonicContact OE1-NZ 2.66Å; E932-K944 PolarHBondContact OE1-NZ 3.3Å; V942-K944 HydrophobicContact CG1-CD 4.32Å; V942-K944 PolarHBondContact O-N 3.12Å; K944-S948 WeakPolarHBondContact CA-OG 3.3Å; K944-D949 WeakPolarHBondContact CD-O 3.34Å; K944-D949 WeakPolarHBondContact CE-O 3.49Å; K944-D949 PolarHBondContact NZ-O 3.1Å; K944-L950 HydrophobicContact CB-CD2 4.13Å; K944-L950 HydrophobicContact CD-CD2 3.96Å; K944-L950 HydrophobicContact CG-CD2 3.68Å |
| 945 | K | 79 | Confident | 72.2 | Confident | 103 Ų | 103 | 51.6 Ų | 51.6 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | trans | -138 | 164.2 | -171 | -63.7 | 173.3 | -171.6 | 164.9 | 0 | 109.7 | I923 G947 S948 | I923-K945 WeakPolarHBondContact CB-O 3.37Å; K945-G947 PolarHBondContact O-N 3.24Å; K945-S948 PolarHBondContact N-OG 2.85Å; K945-S948 WeakPolarHBondContact O-CB 3.1Å; K945-S948 PolarHBondContact O-N 3.46Å; K945-S948 PolarHBondContact O-OG 3.44Å | ||
| 946 | P | 79.1 | Confident | 73.2 | Confident | 82 Ų | 82 | 51 Ų | 51 | 53% | 0.532 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 128.1 | 169.1 | -26.7 | 36.8 | 0 | 0 | 0 | 111.1 | G926 | G926-P946 VanDerWaalsContact O-CD 3.24Å; G926-P946 WeakPolarHBondContact O-CD 3.42Å; G926-P946 WeakPolarHBondContact O-CG 3.39Å |
| 947 | G | 76.3 | Confident | 74.2 | Confident | 61 Ų | 61 | 54 Ų | 54 | 63% | 0.629 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 8.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | I923 K945 | I923-G947 PolarHBondContact O-N 2.95Å; K945-G947 PolarHBondContact O-N 3.24Å |
| 948 | S | 75.7 | Confident | 75.2 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 20% | 0.203 | 34% | 0.336 | C | S | . | . | trans | -102.6 | 146.2 | 171.3 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | I923 K944 K945 | I923-S948 PolarHBondContact N-O 2.87Å; I923-S948 VanDerWaalsContact N-O 3.09Å; K944-S948 WeakPolarHBondContact CA-OG 3.3Å; K945-S948 PolarHBondContact N-OG 2.85Å; K945-S948 WeakPolarHBondContact O-CB 3.1Å; K945-S948 PolarHBondContact O-N 3.46Å; K945-S948 PolarHBondContact O-OG 3.44Å | ||
| 949 | D | 81.1 | Confident | 76 | Confident | 107 Ų | 107 | 53.4 Ų | 53.4 | 57% | 0.572 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 144.7 | 179.3 | -37.4 | -81.2 | 0 | 0 | 0 | 112.7 | S921 K944 | S921-D949 CarbonylContact O-C 3.48Å; K944-D949 WeakPolarHBondContact CD-O 3.34Å; K944-D949 WeakPolarHBondContact CE-O 3.49Å; K944-D949 PolarHBondContact NZ-O 3.1Å |
| 950 | L | 87.6 | Confident | 78 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.9 | 172.7 | -65.7 | 179.8 | 0 | 0 | 0 | 109 | I911 V917 D920 S921 I923 C930 K944 V961 A963 | I911-L950 HydrophobicContact CD1-CD1 3.86Å; V917-L950 HydrophobicContact CG1-CB 3.85Å; V917-L950 HydrophobicContact CG2-CB 4.17Å; V917-L950 HydrophobicContact CG2-CD1 4.18Å; D920-L950 WeakPolarHBondContact CA-O 3.37Å; S921-L950 PolarHBondContact N-O 2.7Å; S921-L950 WeakPolarHBondContact O-CB 3.3Å; S921-L950 PolarHBondContact O-N 3.3Å; I923-L950 HydrophobicContact CD1-CD1 4.17Å; I923-L950 HydrophobicContact CD1-CD2 4.11Å; I923-L950 HydrophobicContact CD1-CG 4.18Å; I923-L950 HydrophobicContact CG1-CD1 3.75Å; I923-L950 HydrophobicContact CG1-CD2 4.33Å; I923-L950 HydrophobicContact CG1-CG 3.85Å; C930-L950 HydrophobicContact CB-CD2 4.49Å; C930-L950 WeakPolarHBondContact SG-CD2 3.4Å; K944-L950 HydrophobicContact CB-CD2 4.13Å; K944-L950 HydrophobicContact CD-CD2 3.96Å; K944-L950 HydrophobicContact CG-CD2 3.68Å; L950-V961 HydrophobicContact CD1-CG1 4.3Å; L950-A963 HydrophobicContact CD1-CB 4.15Å |
| 951 | I | 83.5 | Confident | 79.3 | Confident | 24 Ų | 24 | 43 Ų | 43 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | trans | -95.2 | 132.3 | -178.3 | -54.2 | 174.1 | 0 | 0 | 0 | 109.6 | V917 D920 I935 G953 S954 A973 | V917-I951 WeakPolarHBondContact CB-O 3.33Å; D920-I951 WeakPolarHBondContact OD1-CA 3.33Å; I935-I951 HydrophobicContact CD1-CG2 3.94Å; I935-I951 HydrophobicContact CG2-CG2 4.48Å; I951-G953 PolarHBondContact O-N 3.48Å; I951-S954 WeakPolarHBondContact O-CB 3.43Å; I951-S954 PolarHBondContact O-N 3.08Å; I951-S954 VanDerWaalsContact O-N 3.08Å; I951-S954 PolarHBondContact O-OG 3.39Å; I951-A973 HydrophobicContact CG2-CB 4.32Å | ||
| 952 | G | 82.6 | Confident | 80.6 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 127.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | D920 I935 | D920-G952 PolarHBondContact OD1-N 3Å; I935-G952 WeakPolarHBondContact CD1-O 2.93Å |
| 953 | G | 78.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -10.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | V917 I951 | V917-G953 PolarHBondContact O-N 3.1Å; I951-G953 PolarHBondContact O-N 3.48Å |
| 954 | S | 82.9 | Confident | 82 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | trans | -68.7 | 154.7 | 167.5 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | K916 V917 D931 I951 | K916-S954 CarbonylContact C-O 3.57Å; K916-S954 WeakPolarHBondContact CA-O 3.49Å; V917-S954 WeakPolarHBondContact CG2-OG 3.45Å; V917-S954 PolarHBondContact N-O 3.47Å; D931-S954 WeakPolarHBondContact O-CA 3.29Å; D931-S954 WeakPolarHBondContact O-CB 3.45Å; I951-S954 WeakPolarHBondContact O-CB 3.43Å; I951-S954 PolarHBondContact O-N 3.08Å; I951-S954 VanDerWaalsContact O-N 3.08Å; I951-S954 PolarHBondContact O-OG 3.39Å | ||
| 955 | I | 85.7 | Confident | 82.6 | Confident | 39 Ų | 39 | 36.7 Ų | 36.7 | 20% | 0.2 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.1 | -175.5 | -54.5 | 173.2 | 0 | 0 | 0 | 109.8 | K916 C930 D931 L934 L957 | K916-I955 HydrophobicContact CG-CG1 4.2Å; C930-I955 CarbonylContact C-O 3.6Å; C930-I955 VanDerWaalsContact CA-O 3.25Å; C930-I955 WeakPolarHBondContact CA-O 3.34Å; D931-I955 HydrophobicContact CB-CB 4.33Å; D931-I955 PolarHBondContact N-O 3.13Å; D931-I955 PolarHBondContact O-N 3.46Å; L934-I955 HydrophobicContact CD1-CD1 3.88Å; I955-L957 HydrophobicContact CG2-CD2 4.14Å |
| 956 | N | 87.6 | Confident | 82.9 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.011 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.3 | 172.9 | 178.2 | 23.8 | 0 | 0 | 0 | 110.3 | I911 L912 G914 E915 T928 S959 | I911-N956 HydrophobicContact CG2-CB 3.84Å; I911-N956 PolarHBondContact O-ND2 3.27Å; L912-N956 VanDerWaalsContact C-ND2 3.27Å; L912-N956 PolarHBondContact O-ND2 2.96Å; G914-N956 WeakPolarHBondContact CA-O 3.19Å; G914-N956 PolarHBondContact N-O 2.64Å; E915-N956 PolarHBondContact O-N 3.03Å; T928-N956 WeakPolarHBondContact CB-OD1 3.42Å; T928-N956 VanDerWaalsContact CG2-OD1 3.31Å; T928-N956 WeakPolarHBondContact CG2-OD1 3.26Å; T928-N956 PolarHBondContact OG1-OD1 3.07Å; N956-S959 PolarHBondContact ND2-O 3.31Å; N956-S959 PolarHBondContact OD1-O 2.85Å |
| 957 | L | 79.8 | Confident | 83 | Confident | 75 Ų | 75 | 33.5 Ų | 33.5 | 39% | 0.393 | 20% | 0.201 | S | C | . | . | trans | -105.4 | -38.5 | -174.3 | -58.1 | -176.6 | 0 | 0 | 0 | 115.4 | S929 D931 P941 I955 | S929-L957 WeakPolarHBondContact O-CB 3.5Å; S929-L957 PolarHBondContact O-N 3.39Å; D931-L957 HydrophobicContact CB-CD1 4.21Å; D931-L957 HydrophobicContact CB-CD2 4.18Å; D931-L957 HydrophobicContact CB-CG 4.32Å; P941-L957 HydrophobicContact CB-CD1 3.6Å; P941-L957 HydrophobicContact CG-CD1 3.37Å; I955-L957 HydrophobicContact CG2-CD2 4.14Å | ||
| 958 | A | 71.6 | Confident | 83.2 | Confident | 64 Ų | 64 | 32.1 Ų | 32.1 | 53% | 0.529 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -111.6 | -45.1 | -157.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | T928 | T928-A958 PolarHBondContact OG1-N 2.72Å; T928-A958 VanDerWaalsContact OG1-N 3.09Å |
| 959 | S | 74.1 | Confident | 83.1 | Confident | 30 Ų | 30 | 33.1 Ų | 33.1 | 21% | 0.21 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -128.9 | 161 | -175.7 | 82 | 0 | 0 | 0 | 0 | 112.1 | S927 T928 N956 | S927-S959 PolarHBondContact O-OG 2.79Å; T928-S959 PolarHBondContact OG1-N 2.94Å; N956-S959 PolarHBondContact ND2-O 3.31Å; N956-S959 PolarHBondContact OD1-O 2.85Å |
| 960 | I | 83.3 | Confident | 82.3 | Confident | 53 Ų | 53 | 34.9 Ų | 34.9 | 27% | 0.272 | 20% | 0.199 | S | C | . | . | trans | -61.3 | 138.7 | 157.4 | -63.3 | 176.5 | 0 | 0 | 0 | 107.5 | K910 I911 L912 P913 | K910-I960 HydrophobicContact CG-CG2 4.01Å; I911-I960 WeakPolarHBondContact O-CA 3.23Å; L912-I960 HydrophobicContact CD2-CD1 4.05Å; L912-I960 HydrophobicContact CD2-CG1 4.03Å; P913-I960 HydrophobicContact CG-CG1 4.5Å | ||
| 961 | V | 86.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139 | 177.9 | -175 | 0 | 0 | 0 | 0 | 108.9 | I911 I923 T928 L950 | I911-V961 HydrophobicContact CB-CB 4.47Å; I911-V961 PolarHBondContact N-O 2.68Å; I911-V961 PolarHBondContact O-N 3.45Å; I923-V961 HydrophobicContact CB-CG1 4.18Å; I923-V961 HydrophobicContact CD1-CG1 3.73Å; I923-V961 HydrophobicContact CG1-CG1 3.65Å; I923-V961 HydrophobicContact CG2-CG1 3.7Å; T928-V961 HydrophobicContact CG2-CG2 3.63Å; L950-V961 HydrophobicContact CD1-CG1 4.3Å |
| 962 | W | 89.2 | Confident | 80.7 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 114.5 | 172.2 | -58.1 | 67.8 | 0 | 0 | 0 | 106.7 | I864 F890 I908 K910 L924 I925 | I864-W962 HydrophobicContact CB-CZ3 4.15Å; I864-W962 HydrophobicContact CD1-CD2 4.45Å; I864-W962 HydrophobicContact CD1-CE3 3.41Å; I864-W962 VanDerWaalsContact CD1-CE3 3.41Å; I864-W962 HydrophobicContact CD1-CH2 4.26Å; I864-W962 HydrophobicContact CD1-CZ3 3.31Å; I864-W962 HydrophobicContact CG1-CE3 4.06Å; I864-W962 HydrophobicContact CG1-CH2 4.05Å; I864-W962 HydrophobicContact CG1-CZ3 3.38Å; I864-W962 HydrophobicContact CG2-CZ3 4.17Å; F890-W962 HydrophobicContact CB-CE3 4.18Å; F890-W962 HydrophobicContact CB-CH2 3.63Å; F890-W962 HydrophobicContact CB-CZ2 4.08Å; F890-W962 HydrophobicContact CB-CZ3 3.65Å; F890-W962 HydrophobicContact CD1-CD2 4.29Å; F890-W962 AromaticContact CD1-CE3 3.41Å; F890-W962 HydrophobicContact CD1-CE3 3.41Å; F890-W962 VanDerWaalsContact CD1-CE3 3.41Å; F890-W962 HydrophobicContact CD1-CH2 4.26Å; F890-W962 AromaticContact CD1-CZ3 3.38Å; F890-W962 HydrophobicContact CD1-CZ3 3.38Å; F890-W962 HydrophobicContact CE1-CE3 4Å; F890-W962 HydrophobicContact CE1-CZ3 4.34Å; F890-W962 HydrophobicContact CG-CE3 4Å; F890-W962 HydrophobicContact CG-CH2 4.35Å; F890-W962 AromaticContact CG-CZ3 3.88Å; F890-W962 HydrophobicContact CG-CZ3 3.88Å; I908-W962 HydrophobicContact CG2-CE3 4.37Å; K910-W962 HydrophobicContact CD-CZ2 4.41Å; L924-W962 WeakPolarHBondContact CB-O 3.46Å; L924-W962 PolarHBondContact N-O 3.5Å; I925-W962 HydrophobicContact CB-CB 3.9Å; I925-W962 HydrophobicContact CB-CG 4.13Å; I925-W962 HydrophobicContact CD1-CB 3.93Å; I925-W962 HydrophobicContact CD1-CD2 4.39Å; I925-W962 HydrophobicContact CD1-CG 3.94Å; I925-W962 HydrophobicContact CG1-CB 3.97Å; I925-W962 HydrophobicContact CG1-CG 4.37Å; I925-W962 PolarHBondContact N-O 3.3Å; I925-W962 VanDerWaalsContact N-O 3.09Å; I925-W962 PolarHBondContact O-N 3.15Å |
| 963 | A | 89.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I908 I909 I911 V922 L950 | I908-A963 WeakPolarHBondContact CA-O 3.41Å; I909-A963 HydrophobicContact CG1-CB 4.23Å; I909-A963 VanDerWaalsContact CG1-O 3.23Å; I909-A963 WeakPolarHBondContact CG1-O 3.31Å; I909-A963 PolarHBondContact N-O 2.91Å; I909-A963 PolarHBondContact O-N 3.31Å; I911-A963 HydrophobicContact CD1-CB 4Å; V922-A963 CarbonylContact O-C 3.56Å; V922-A963 VanDerWaalsContact O-CA 3.29Å; V922-A963 WeakPolarHBondContact O-CA 3.38Å; L950-A963 HydrophobicContact CD1-CB 4.15Å |
| 964 | K | 90.7 | Very high | 79.4 | Confident | 55 Ų | 55 | 39.9 Ų | 39.9 | 24% | 0.239 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.7 | 177 | -175 | 174.5 | 178.4 | 179.5 | 0 | 109.3 | N906 D907 S921 V922 L924 T966 | N906-K964 VanDerWaalsContact CA-CE 3.45Å; N906-K964 VanDerWaalsContact CB-CE 3.41Å; N906-K964 WeakPolarHBondContact OD1-CE 3.16Å; N906-K964 PolarHBondContact OD1-NZ 3.2Å; D907-K964 CarbonylContact O-C 3.49Å; D907-K964 WeakPolarHBondContact O-CA 3.23Å; S921-K964 CarbonylContact C-O 3.55Å; S921-K964 WeakPolarHBondContact CA-O 3.49Å; S921-K964 VanDerWaalsContact CB-O 3.23Å; S921-K964 WeakPolarHBondContact CB-O 3.36Å; V922-K964 PolarHBondContact N-O 2.87Å; V922-K964 PolarHBondContact O-N 3.48Å; L924-K964 HydrophobicContact CD1-CB 4.09Å; L924-K964 HydrophobicContact CD2-CB 4.12Å; L924-K964 HydrophobicContact CG-CB 4.02Å; K964-T966 PolarHBondContact O-N 2.75Å |
| 965 | A | 90.4 | Very high | 78.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 132.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V903 H904 N906 D907 V919 V968 | V903-A965 HydrophobicContact CG1-CB 4.06Å; H904-A965 WeakPolarHBondContact O-CB 3.45Å; N906-A965 PolarHBondContact N-O 3.44Å; D907-A965 PolarHBondContact O-N 2.76Å; V919-A965 HydrophobicContact CG2-CB 3.83Å; A965-V968 HydrophobicContact CB-CG1 4.32Å |
| 966 | T | 85.6 | Confident | 77.4 | Confident | 38 Ų | 38 | 41.2 Ų | 41.2 | 23% | 0.233 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -46.6 | -177.9 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | Q905 D920 V922 K964 | Q905-T966 WeakPolarHBondContact CG-O 3.49Å; Q905-T966 PolarHBondContact NE2-O 3.11Å; D920-T966 VanDerWaalsContact C-OG1 3.25Å; D920-T966 PolarHBondContact O-N 3.49Å; D920-T966 PolarHBondContact O-OG1 3.29Å; V922-T966 HydrophobicContact CB-CG2 4.45Å; V922-T966 HydrophobicContact CG2-CG2 3.8Å; K964-T966 PolarHBondContact O-N 2.75Å |
| 967 | H | 79.5 | Confident | 76 | Confident | 80 Ų | 80 | 42.1 Ų | 42.1 | 37% | 0.37 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.6 | 176.2 | -51.5 | 92.9 | 0 | 0 | 0 | 109.4 | D920 D971 | D920-H967 HydrophobicContact CB-CB 4.15Å; D920-H967 PolarHBondContact N-O 3.34Å; D920-H967 PolarHBondContact O-N 2.94Å; H967-D971 HydrophobicContact CB-CB 4.32Å |
| 968 | V | 81.5 | Confident | 75 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 19% | 0.194 | 23% | 0.227 | C | C | . | . | trans | -140.3 | 149.8 | -167.4 | -73.9 | 0 | 0 | 0 | 0 | 110.2 | V903 V919 A965 E970 D971 | V903-V968 HydrophobicContact CB-CG1 4.45Å; V903-V968 HydrophobicContact CG1-CG1 4.15Å; V919-V968 HydrophobicContact CB-CG1 4.13Å; V919-V968 HydrophobicContact CG1-CG1 4.14Å; V919-V968 HydrophobicContact CG2-CG1 4.11Å; A965-V968 HydrophobicContact CB-CG1 4.32Å; V968-E970 PolarHBondContact O-N 2.91Å; V968-D971 PolarHBondContact O-N 3.06Å | ||
| 969 | G | 73.2 | Confident | 74.2 | Confident | 49 Ų | 49 | 40.4 Ų | 40.4 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | 64.7 | -128.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | D971 S972 S975 | G969-D971 VanDerWaalsContact C-N 3.32Å; G969-D971 PolarHBondContact O-N 2.88Å; G969-S972 PolarHBondContact O-N 3.43Å; G969-S972 PolarHBondContact O-OG 3.39Å; G969-S975 VanDerWaalsContact O-CB 3.27Å; G969-S975 WeakPolarHBondContact O-CB 3.42Å; G969-S975 PolarHBondContact O-OG 3.25Å |
| 970 | E | 63.8 | Low | 73.2 | Confident | 145 Ų | 145 | 39.5 Ų | 39.5 | 68% | 0.678 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -66.7 | -31.6 | -179.9 | -61.2 | -156.5 | 159.4 | 0 | 0 | 113.3 | V968 S972 S975 | V968-E970 PolarHBondContact O-N 2.91Å; E970-S972 PolarHBondContact O-N 3.39Å; E970-S975 VanDerWaalsContact O-CB 3.32Å; E970-S975 WeakPolarHBondContact O-CB 3.45Å |
| 971 | D | 66.4 | Low | 71.5 | Confident | 102 Ų | 102 | 38 Ų | 38 | 55% | 0.545 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -69.9 | -15.2 | -178.1 | -61.6 | -33.2 | 0 | 0 | 0 | 112.7 | H967 V968 G969 Q976 | H967-D971 HydrophobicContact CB-CB 4.32Å; V968-D971 PolarHBondContact O-N 3.06Å; G969-D971 VanDerWaalsContact C-N 3.32Å; G969-D971 PolarHBondContact O-N 2.88Å; D971-Q976 PolarHBondContact O-NE2 2.85Å |
| 972 | S | 70.9 | Confident | 69.9 | Low | 7 Ų | 7 | 42.4 Ų | 42.4 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -69.8 | 143.2 | -180 | 65.2 | 0 | 0 | 0 | 0 | 112.8 | D920 G969 E970 L974 S975 Q976 | D920-S972 WeakPolarHBondContact OD2-CA 3.41Å; D920-S972 VanDerWaalsContact OD2-CB 3.3Å; D920-S972 WeakPolarHBondContact OD2-CB 3.5Å; G969-S972 PolarHBondContact O-N 3.43Å; G969-S972 PolarHBondContact O-OG 3.39Å; E970-S972 PolarHBondContact O-N 3.39Å; S972-L974 PolarHBondContact O-N 3.02Å; S972-L974 VanDerWaalsContact O-N 3.1Å; S972-S975 CarbonylContact O-C 3.54Å; S972-S975 WeakPolarHBondContact O-CA 3.36Å; S972-S975 WeakPolarHBondContact O-CB 3.35Å; S972-S975 PolarHBondContact O-N 3.48Å; S972-S975 PolarHBondContact OG-OG 3.48Å; S972-S975 VanDerWaalsContact OG-OG 3.09Å; S972-Q976 PolarHBondContact O-N 3.49Å |
| 973 | A | 66.6 | Low | 68.1 | Low | 25 Ų | 25 | 43.1 Ų | 43.1 | 21% | 0.207 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.7 | -35.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D920 I951 I977 | D920-A973 PolarHBondContact OD2-N 2.9Å; I951-A973 HydrophobicContact CG2-CB 4.32Å; A973-I977 WeakPolarHBondContact O-CB 3.42Å; A973-I977 WeakPolarHBondContact O-CD1 3.44Å; A973-I977 VanDerWaalsContact O-CG1 3.23Å; A973-I977 WeakPolarHBondContact O-CG1 3.45Å; A973-I977 PolarHBondContact O-N 3.12Å |
| 974 | L | 67.7 | Low | 66 | Low | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.5 | -37.3 | 175.8 | -174.9 | 62.8 | 0 | 0 | 0 | 112.4 | L856 H857 S972 I977 V978 | L856-L974 HydrophobicContact CB-CD2 3.83Å; L856-L974 HydrophobicContact CD1-CD1 4.42Å; H857-L974 HydrophobicContact CB-CD2 4.41Å; H857-L974 WeakPolarHBondContact ND1-CD2 3.28Å; S972-L974 PolarHBondContact O-N 3.02Å; S972-L974 VanDerWaalsContact O-N 3.1Å; L974-I977 PolarHBondContact O-N 3.11Å; L974-V978 WeakPolarHBondContact O-CG2 3.44Å; L974-V978 PolarHBondContact O-N 3.02Å |
| 975 | S | 64.1 | Low | 64 | Low | 27 Ų | 27 | 44 Ų | 44 | 19% | 0.189 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.4 | -39.7 | 173.6 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | H857 G969 E970 S972 V978 R979 | H857-S975 PolarHBondContact NE2-OG 3.12Å; H857-S975 VanDerWaalsContact NE2-OG 3.14Å; G969-S975 VanDerWaalsContact O-CB 3.27Å; G969-S975 WeakPolarHBondContact O-CB 3.42Å; G969-S975 PolarHBondContact O-OG 3.25Å; E970-S975 VanDerWaalsContact O-CB 3.32Å; E970-S975 WeakPolarHBondContact O-CB 3.45Å; S972-S975 CarbonylContact O-C 3.54Å; S972-S975 WeakPolarHBondContact O-CA 3.36Å; S972-S975 WeakPolarHBondContact O-CB 3.35Å; S972-S975 PolarHBondContact O-N 3.48Å; S972-S975 PolarHBondContact OG-OG 3.48Å; S972-S975 VanDerWaalsContact OG-OG 3.09Å; S975-V978 PolarHBondContact O-N 3.07Å; S975-R979 PolarHBondContact O-N 3.43Å |
| 976 | Q | 63.4 | Low | 62.2 | Low | 42 Ų | 42 | 45.6 Ų | 45.6 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 170.2 | -62.6 | -172.9 | 24.7 | 0 | 0 | 111 | D971 S972 V978 R979 L980 D1736 | D971-Q976 PolarHBondContact O-NE2 2.85Å; S972-Q976 PolarHBondContact O-N 3.49Å; Q976-V978 VanDerWaalsContact C-N 3.31Å; Q976-V978 PolarHBondContact O-N 3.35Å; Q976-R979 PolarHBondContact O-N 3.31Å; Q976-L980 VanDerWaalsContact O-CG 3.28Å; Q976-L980 WeakPolarHBondContact O-CG 3.34Å; Q976-L980 PolarHBondContact O-N 3.26Å; Q976-D1736 PolarHBondContact NE2-OD2 3.4Å |
| 977 | I | 58.5 | Low | 60.5 | Low | 21 Ų | 21 | 45.6 Ų | 45.6 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.6 | -46.5 | 175 | -77.7 | 166.4 | 0 | 0 | 0 | 111.3 | I935 A973 L974 L980 V981 L1082 I1747 | I935-I977 HydrophobicContact CG2-CD1 4.21Å; A973-I977 WeakPolarHBondContact O-CB 3.42Å; A973-I977 WeakPolarHBondContact O-CD1 3.44Å; A973-I977 VanDerWaalsContact O-CG1 3.23Å; A973-I977 WeakPolarHBondContact O-CG1 3.45Å; A973-I977 PolarHBondContact O-N 3.12Å; L974-I977 PolarHBondContact O-N 3.11Å; I977-L980 PolarHBondContact O-N 3.44Å; I977-V981 WeakPolarHBondContact O-CG2 3.31Å; I977-V981 PolarHBondContact O-N 3.22Å; I977-V981 VanDerWaalsContact O-N 3.11Å; I977-L1082 HydrophobicContact CG2-CD1 4.49Å; I977-L1082 HydrophobicContact CG2-CD2 4.17Å; I977-I1747 HydrophobicContact CD1-CG2 4.5Å |
| 978 | V | 57.9 | Low | 59.3 | Low | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.8 | -51.8 | 177.1 | 167.9 | 0 | 0 | 0 | 0 | 111.3 | L850 L854 L974 S975 Q976 L980 V981 E982 | L850-V978 HydrophobicContact CD2-CG1 4.49Å; L854-V978 HydrophobicContact CD2-CG1 4.08Å; L854-V978 HydrophobicContact CD2-CG2 3.84Å; L854-V978 HydrophobicContact CG-CG2 4.23Å; L974-V978 WeakPolarHBondContact O-CG2 3.44Å; L974-V978 PolarHBondContact O-N 3.02Å; S975-V978 PolarHBondContact O-N 3.07Å; Q976-V978 VanDerWaalsContact C-N 3.31Å; Q976-V978 PolarHBondContact O-N 3.35Å; V978-L980 VanDerWaalsContact C-N 3.28Å; V978-L980 PolarHBondContact O-N 3.46Å; V978-V981 PolarHBondContact O-N 3.34Å; V978-E982 PolarHBondContact O-N 2.86Å |
| 979 | R | 55.3 | Low | 57.9 | Low | 90 Ų | 90 | 41.5 Ų | 41.5 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.6 | -41.5 | 179 | 174.8 | 170.7 | 159.9 | -157.1 | -22.7 | 111.9 | S975 Q976 V981 E982 E983 E1740 | S975-R979 PolarHBondContact O-N 3.43Å; Q976-R979 PolarHBondContact O-N 3.31Å; R979-V981 VanDerWaalsContact C-N 3.34Å; R979-V981 PolarHBondContact O-N 2.92Å; R979-E982 PolarHBondContact O-N 2.89Å; R979-E983 HydrophobicContact CG-CG 4.49Å; R979-E983 WeakPolarHBondContact CG-OE1 3.28Å; R979-E983 IonicContact CZ-OE1 3.43Å; R979-E983 IonicContact NE-OE1 3.28Å; R979-E983 PolarHBondContact NE-OE1 2.71Å; R979-E983 IonicContact NH2-OE1 2.7Å; R979-E983 WeakPolarHBondContact O-CB 3.46Å; R979-E983 WeakPolarHBondContact O-CG 3.41Å; R979-E983 PolarHBondContact O-N 2.83Å; R979-E1740 IonicContact NH2-OE1 3.9Å; R979-E1740 PolarHBondContact NH2-OE1 3.38Å |
| 980 | L | 51.9 | Low | 57.1 | Low | 11 Ų | 11 | 40.8 Ų | 40.8 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.3 | -28.3 | 177.2 | -65.6 | -176.4 | 0 | 0 | 0 | 113.6 | Q976 I977 V978 A984 L1082 K1084 V1739 V1745 | Q976-L980 VanDerWaalsContact O-CG 3.28Å; Q976-L980 WeakPolarHBondContact O-CG 3.34Å; Q976-L980 PolarHBondContact O-N 3.26Å; I977-L980 PolarHBondContact O-N 3.44Å; V978-L980 VanDerWaalsContact C-N 3.28Å; V978-L980 PolarHBondContact O-N 3.46Å; L980-A984 WeakPolarHBondContact O-CB 3.25Å; L980-A984 PolarHBondContact O-N 2.92Å; L980-A984 VanDerWaalsContact O-N 3.07Å; L980-L1082 HydrophobicContact CB-CD2 4.15Å; L980-K1084 HydrophobicContact CD2-CD 3.99Å; L980-K1084 VanDerWaalsContact CD2-CE 3.41Å; L980-V1739 HydrophobicContact CD1-CG1 3.7Å; L980-V1745 HydrophobicContact CD1-CG2 4.14Å |
| 981 | V | 49.3 | Very low | 57.1 | Low | 22 Ų | 22 | 35.5 Ų | 35.5 | 13% | 0.133 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -76.6 | -35.3 | 171.1 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | L850 I977 V978 R979 A984 Q985 L1082 | L850-V981 HydrophobicContact CD1-CB 4.39Å; L850-V981 HydrophobicContact CD1-CG1 3.62Å; L850-V981 HydrophobicContact CG-CG1 4.26Å; I977-V981 WeakPolarHBondContact O-CG2 3.31Å; I977-V981 PolarHBondContact O-N 3.22Å; I977-V981 VanDerWaalsContact O-N 3.11Å; V978-V981 PolarHBondContact O-N 3.34Å; R979-V981 VanDerWaalsContact C-N 3.34Å; R979-V981 PolarHBondContact O-N 2.92Å; V981-A984 VanDerWaalsContact O-CB 3.29Å; V981-A984 WeakPolarHBondContact O-CB 3.14Å; V981-A984 PolarHBondContact O-N 3.23Å; V981-Q985 WeakPolarHBondContact O-CG 3.41Å; V981-Q985 PolarHBondContact O-N 3.36Å; V981-Q985 VanDerWaalsContact O-N 3.13Å; V981-L1082 HydrophobicContact CG2-CD2 3.71Å; V981-L1082 HydrophobicContact CG2-CG 3.94Å |
| 982 | E | 52.9 | Low | 57 | Low | 93 Ų | 93 | 32.4 Ų | 32.4 | 44% | 0.435 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.1 | -47 | 173.3 | -68.8 | -169.8 | 178.4 | 0 | 0 | 111.5 | V978 R979 A984 Q985 T986 | V978-E982 PolarHBondContact O-N 2.86Å; R979-E982 PolarHBondContact O-N 2.89Å; E982-A984 PolarHBondContact O-N 3.2Å; E982-Q985 PolarHBondContact O-N 3.33Å; E982-T986 PolarHBondContact O-N 2.92Å; E982-T986 VanDerWaalsContact O-N 3.14Å |
| 983 | E | 51.6 | Low | 56.8 | Low | 51 Ų | 51 | 36.9 Ų | 36.9 | 24% | 0.238 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -32.1 | 171.8 | -70.9 | 174.3 | -167.5 | 0 | 0 | 112 | R979 T986 | R979-E983 HydrophobicContact CG-CG 4.49Å; R979-E983 WeakPolarHBondContact CG-OE1 3.28Å; R979-E983 IonicContact CZ-OE1 3.43Å; R979-E983 IonicContact NE-OE1 3.28Å; R979-E983 PolarHBondContact NE-OE1 2.71Å; R979-E983 IonicContact NH2-OE1 2.7Å; R979-E983 WeakPolarHBondContact O-CB 3.46Å; R979-E983 WeakPolarHBondContact O-CG 3.41Å; R979-E983 PolarHBondContact O-N 2.83Å; E983-T986 PolarHBondContact O-OG1 2.89Å |
| 984 | A | 44.8 | Very low | 56.7 | Low | 10 Ų | 10 | 40.1 Ų | 40.1 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L980 V981 E982 S987 I1083 | L980-A984 WeakPolarHBondContact O-CB 3.25Å; L980-A984 PolarHBondContact O-N 2.92Å; L980-A984 VanDerWaalsContact O-N 3.07Å; V981-A984 VanDerWaalsContact O-CB 3.29Å; V981-A984 WeakPolarHBondContact O-CB 3.14Å; V981-A984 PolarHBondContact O-N 3.23Å; E982-A984 PolarHBondContact O-N 3.2Å; A984-S987 PolarHBondContact O-N 3.4Å; A984-S987 PolarHBondContact O-OG 3.35Å; A984-I1083 VanDerWaalsContact CB-O 3.26Å; A984-I1083 WeakPolarHBondContact CB-O 3.37Å |
| 985 | Q | 48.4 | Very low | 56.6 | Low | 63 Ų | 63 | 40 Ų | 40 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -77.6 | -22 | -174.8 | -69.2 | -174.1 | 27.1 | 0 | 0 | 113.9 | V981 E982 | V981-Q985 WeakPolarHBondContact O-CG 3.41Å; V981-Q985 PolarHBondContact O-N 3.36Å; V981-Q985 VanDerWaalsContact O-N 3.13Å; E982-Q985 PolarHBondContact O-N 3.33Å |
| 986 | T | 52.2 | Low | 56.4 | Low | 35 Ų | 35 | 40.5 Ų | 40.5 | 22% | 0.215 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -75.3 | -28.2 | 172.9 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | A542 A545 E982 E983 | A542-T986 HydrophobicContact CB-CG2 3.56Å; A545-T986 HydrophobicContact CB-CG2 4.24Å; E982-T986 PolarHBondContact O-N 2.92Å; E982-T986 VanDerWaalsContact O-N 3.14Å; E983-T986 PolarHBondContact O-OG1 2.89Å |
| 987 | S | 50.2 | Low | 56.7 | Low | 38 Ų | 38 | 44.8 Ų | 44.8 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -74 | 133.5 | -175.2 | 77.2 | 0 | 0 | 0 | 0 | 114 | A984 G1085 | A984-S987 PolarHBondContact O-N 3.4Å; A984-S987 PolarHBondContact O-OG 3.35Å; S987-G1085 WeakPolarHBondContact OG-CA 3.12Å |
| 988 | K | 53.9 | Low | 57.5 | Low | 23 Ų | 23 | 47.1 Ų | 47.1 | 10% | 0.1 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -87 | 138.1 | 177 | -67.8 | 177.3 | 178.7 | 177.6 | 0 | 111.9 | E527 | E527-K988 VanDerWaalsContact OE1-CE 3.24Å; E527-K988 WeakPolarHBondContact OE1-CE 3.39Å; E527-K988 IonicContact OE1-NZ 2.7Å; E527-K988 PolarHBondContact OE1-NZ 3.34Å; E527-K988 IonicContact OE2-NZ 3.93Å; E527-K988 PolarHBondContact OE2-NZ 3Å |
| 989 | A | 53.9 | Low | 57.9 | Low | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 143.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V991 Q992 Q993 T1065 V1069 | A989-V991 VanDerWaalsContact C-N 3.33Å; A989-V991 PolarHBondContact O-N 2.89Å; A989-Q992 HydrophobicContact CB-CB 4.33Å; A989-Q992 WeakPolarHBondContact O-CA 3.5Å; A989-Q992 VanDerWaalsContact O-CB 3.26Å; A989-Q992 WeakPolarHBondContact O-CB 3.3Å; A989-Q992 PolarHBondContact O-N 3.34Å; A989-Q993 PolarHBondContact O-N 3.01Å; A989-T1065 HydrophobicContact CB-CG2 3.95Å; A989-V1069 HydrophobicContact CB-CG2 4.42Å |
| 990 | P | 56.4 | Low | 58.6 | Low | 33 Ų | 33 | 44.8 Ų | 44.8 | 21% | 0.214 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.4 | -27.8 | -179.8 | 24.5 | -29.1 | 0 | 0 | 0 | 112.9 | Q992 Q993 L994 Q1087 E1090 | P990-Q992 VanDerWaalsContact C-N 3.26Å; P990-Q992 PolarHBondContact O-N 3.03Å; P990-Q993 WeakPolarHBondContact O-CB 3.47Å; P990-Q993 PolarHBondContact O-N 3.27Å; P990-L994 PolarHBondContact O-N 3.1Å; P990-L994 VanDerWaalsContact O-N 3.09Å; P990-Q1087 VanDerWaalsContact CD-OE1 3.26Å; P990-Q1087 HydrophobicContact CG-CG 4.26Å; P990-Q1087 VanDerWaalsContact CG-OE1 3.27Å; P990-E1090 WeakPolarHBondContact CD-OE1 3.41Å; P990-E1090 VanDerWaalsContact CG-OE1 3.31Å; P990-E1090 WeakPolarHBondContact CG-OE1 3.47Å |
| 991 | V | 62.8 | Low | 59.9 | Low | 35 Ų | 35 | 52.4 Ų | 52.4 | 21% | 0.212 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.3 | -23.9 | 168 | 166.5 | 0 | 0 | 0 | 0 | 112.6 | A989 L994 A995 T1065 E1090 I1768 F1772 | A989-V991 VanDerWaalsContact C-N 3.33Å; A989-V991 PolarHBondContact O-N 2.89Å; V991-L994 WeakPolarHBondContact O-CB 3.48Å; V991-L994 PolarHBondContact O-N 2.74Å; V991-A995 PolarHBondContact O-N 2.88Å; V991-T1065 HydrophobicContact CB-CG2 4.37Å; V991-T1065 HydrophobicContact CG1-CG2 4.2Å; V991-E1090 WeakPolarHBondContact CB-OE1 3.06Å; V991-E1090 WeakPolarHBondContact CG2-OE1 3.46Å; V991-E1090 PolarHBondContact N-OE1 2.83Å; V991-I1768 HydrophobicContact CG1-CG2 3.83Å; V991-F1772 HydrophobicContact CG1-CD2 4.36Å; V991-F1772 HydrophobicContact CG1-CE2 3.43Å; V991-F1772 VanDerWaalsContact CG1-CE2 3.43Å; V991-F1772 HydrophobicContact CG1-CZ 3.8Å |
| 992 | Q | 64.1 | Low | 61.4 | Low | 37 Ų | 37 | 53.8 Ų | 53.8 | 17% | 0.173 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.6 | -41.1 | 170.4 | -172.3 | -178.9 | -22.6 | 0 | 0 | 111 | A989 P990 L994 A995 D996 T1065 | A989-Q992 HydrophobicContact CB-CB 4.33Å; A989-Q992 WeakPolarHBondContact O-CA 3.5Å; A989-Q992 VanDerWaalsContact O-CB 3.26Å; A989-Q992 WeakPolarHBondContact O-CB 3.3Å; A989-Q992 PolarHBondContact O-N 3.34Å; P990-Q992 VanDerWaalsContact C-N 3.26Å; P990-Q992 PolarHBondContact O-N 3.03Å; Q992-L994 PolarHBondContact O-N 3.38Å; Q992-A995 WeakPolarHBondContact O-CA 3.24Å; Q992-A995 VanDerWaalsContact O-CB 3.31Å; Q992-A995 WeakPolarHBondContact O-CB 3.48Å; Q992-A995 PolarHBondContact O-N 3.5Å; Q992-D996 PolarHBondContact O-N 3.16Å; Q992-T1065 HydrophobicContact CB-CG2 4.09Å |
| 993 | Q | 66 | Low | 62.7 | Low | 101 Ų | 101 | 49.6 Ų | 49.6 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.5 | -34.4 | 172.6 | -58.8 | 179.2 | 1 | 0 | 0 | 111.7 | A989 P990 K997 | A989-Q993 PolarHBondContact O-N 3.01Å; P990-Q993 WeakPolarHBondContact O-CB 3.47Å; P990-Q993 PolarHBondContact O-N 3.27Å; Q993-K997 VanDerWaalsContact O-CB 3.22Å; Q993-K997 WeakPolarHBondContact O-CB 3.43Å; Q993-K997 PolarHBondContact O-N 2.88Å |
| 994 | L | 65.1 | Low | 64.3 | Low | 92 Ų | 92 | 50.3 Ų | 50.3 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 171.1 | -177.1 | 63.2 | 0 | 0 | 0 | 112.1 | P990 V991 Q992 K997 I998 | P990-L994 PolarHBondContact O-N 3.1Å; P990-L994 VanDerWaalsContact O-N 3.09Å; V991-L994 WeakPolarHBondContact O-CB 3.48Å; V991-L994 PolarHBondContact O-N 2.74Å; Q992-L994 PolarHBondContact O-N 3.38Å; L994-K997 PolarHBondContact O-N 3.33Å; L994-I998 HydrophobicContact CD1-CD1 4.19Å; L994-I998 HydrophobicContact CD1-CG1 4.42Å; L994-I998 HydrophobicContact CG-CD1 3.97Å; L994-I998 WeakPolarHBondContact O-CB 3.48Å; L994-I998 VanDerWaalsContact O-CG1 3.24Å; L994-I998 WeakPolarHBondContact O-CG1 3.31Å; L994-I998 PolarHBondContact O-N 2.79Å |
| 995 | A | 65.4 | Low | 66.3 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.1 | -51.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V991 Q992 K997 I998 A999 F1772 | V991-A995 PolarHBondContact O-N 2.88Å; Q992-A995 WeakPolarHBondContact O-CA 3.24Å; Q992-A995 VanDerWaalsContact O-CB 3.31Å; Q992-A995 WeakPolarHBondContact O-CB 3.48Å; Q992-A995 PolarHBondContact O-N 3.5Å; A995-K997 VanDerWaalsContact C-N 3.29Å; A995-K997 PolarHBondContact O-N 3.28Å; A995-I998 PolarHBondContact O-N 3.46Å; A995-A999 PolarHBondContact O-N 2.93Å; A995-F1772 HydrophobicContact CB-CE1 4.47Å; A995-F1772 HydrophobicContact CB-CZ 3.87Å |
| 996 | D | 61.4 | Low | 68.2 | Low | 36 Ų | 36 | 52.9 Ų | 52.9 | 19% | 0.193 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 177.9 | -71.2 | -53.8 | 0 | 0 | 0 | 110.5 | S520 Q992 A999 G1000 | S520-D996 WeakPolarHBondContact CB-OD1 3.49Å; S520-D996 PolarHBondContact OG-OD1 2.93Å; Q992-D996 PolarHBondContact O-N 3.16Å; D996-A999 PolarHBondContact O-N 3.04Å; D996-G1000 PolarHBondContact O-N 3.43Å; D996-G1000 VanDerWaalsContact O-N 3.07Å |
| 997 | K | 69.6 | Low | 69.9 | Low | 133 Ų | 133 | 53.3 Ų | 53.3 | 58% | 0.578 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 175.4 | -174.1 | 173.2 | -177.4 | 176.2 | 0 | 112.8 | Q993 L994 A995 G1000 Y1001 | Q993-K997 VanDerWaalsContact O-CB 3.22Å; Q993-K997 WeakPolarHBondContact O-CB 3.43Å; Q993-K997 PolarHBondContact O-N 2.88Å; L994-K997 PolarHBondContact O-N 3.33Å; A995-K997 VanDerWaalsContact C-N 3.29Å; A995-K997 PolarHBondContact O-N 3.28Å; K997-G1000 PolarHBondContact O-N 3.09Å; K997-Y1001 HydrophobicContact CG-CD2 4.27Å; K997-Y1001 HydrophobicContact CG-CE2 4.1Å; K997-Y1001 WeakPolarHBondContact O-CD2 3.47Å; K997-Y1001 PolarHBondContact O-N 3.31Å |
| 998 | I | 74.4 | Confident | 71.8 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 36% | 0.359 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 175.5 | -71.9 | 164 | 0 | 0 | 0 | 109.6 | L994 A995 G1000 Y1001 F1002 L1061 | L994-I998 HydrophobicContact CD1-CD1 4.19Å; L994-I998 HydrophobicContact CD1-CG1 4.42Å; L994-I998 HydrophobicContact CG-CD1 3.97Å; L994-I998 WeakPolarHBondContact O-CB 3.48Å; L994-I998 VanDerWaalsContact O-CG1 3.24Å; L994-I998 WeakPolarHBondContact O-CG1 3.31Å; L994-I998 PolarHBondContact O-N 2.79Å; A995-I998 PolarHBondContact O-N 3.46Å; I998-G1000 VanDerWaalsContact C-N 3.31Å; I998-G1000 PolarHBondContact O-N 2.97Å; I998-Y1001 PolarHBondContact O-N 3.04Å; I998-F1002 WeakPolarHBondContact O-CB 3.26Å; I998-F1002 PolarHBondContact O-N 3.28Å; I998-L1061 HydrophobicContact CB-CD2 4.42Å; I998-L1061 HydrophobicContact CG2-CD2 3.82Å |
| 999 | A | 66.2 | Low | 73.5 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.6 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A995 D996 Y1001 F1002 V1003 | A995-A999 PolarHBondContact O-N 2.93Å; D996-A999 PolarHBondContact O-N 3.04Å; A999-Y1001 VanDerWaalsContact C-N 3.34Å; A999-Y1001 PolarHBondContact O-N 3.2Å; A999-F1002 PolarHBondContact O-N 2.98Å; A999-V1003 PolarHBondContact O-N 2.82Å |
| 1000 | G | 70.2 | Confident | 75.2 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.6 | -30 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | D996 K997 I998 P1004 | D996-G1000 PolarHBondContact O-N 3.43Å; D996-G1000 VanDerWaalsContact O-N 3.07Å; K997-G1000 PolarHBondContact O-N 3.09Å; I998-G1000 VanDerWaalsContact C-N 3.31Å; I998-G1000 PolarHBondContact O-N 2.97Å; G1000-P1004 VanDerWaalsContact O-CD 3.24Å; G1000-P1004 WeakPolarHBondContact O-CD 3.42Å |
| 1001 | Y | 79.4 | Confident | 76.9 | Confident | 171 Ų | 171 | 61 Ų | 61 | 67% | 0.671 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -86.6 | -31.1 | 171.1 | -76.1 | -76.6 | 0 | 0 | 0 | 112.7 | K997 I998 A999 F1005 | K997-Y1001 HydrophobicContact CG-CD2 4.27Å; K997-Y1001 HydrophobicContact CG-CE2 4.1Å; K997-Y1001 WeakPolarHBondContact O-CD2 3.47Å; K997-Y1001 PolarHBondContact O-N 3.31Å; I998-Y1001 PolarHBondContact O-N 3.04Å; A999-Y1001 VanDerWaalsContact C-N 3.34Å; A999-Y1001 PolarHBondContact O-N 3.2Å; Y1001-F1005 WeakPolarHBondContact O-CB 3.13Å; Y1001-F1005 PolarHBondContact O-N 2.87Å |
| 1002 | F | 80.9 | Confident | 78.2 | Confident | 52 Ų | 52 | 63 Ų | 63 | 23% | 0.228 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.4 | -39.4 | -173.8 | -172.5 | -131.1 | 0 | 0 | 0 | 112.6 | I998 A999 F1005 I1006 A1056 P1058 N1779 | I998-F1002 WeakPolarHBondContact O-CB 3.26Å; I998-F1002 PolarHBondContact O-N 3.28Å; A999-F1002 PolarHBondContact O-N 2.98Å; F1002-F1005 HydrophobicContact CD2-CD1 4.33Å; F1002-F1005 WeakPolarHBondContact O-CB 3.47Å; F1002-F1005 PolarHBondContact O-N 2.85Å; F1002-I1006 HydrophobicContact CD1-CD1 3.67Å; F1002-I1006 HydrophobicContact CD2-CD1 4.17Å; F1002-I1006 HydrophobicContact CD2-CG1 4.21Å; F1002-I1006 HydrophobicContact CE1-CD1 3.62Å; F1002-I1006 HydrophobicContact CE1-CG1 4.47Å; F1002-I1006 HydrophobicContact CE2-CD1 4.1Å; F1002-I1006 HydrophobicContact CE2-CG1 4.09Å; F1002-I1006 HydrophobicContact CG-CD1 3.96Å; F1002-I1006 HydrophobicContact CG-CG1 4.45Å; F1002-I1006 HydrophobicContact CZ-CD1 3.83Å; F1002-I1006 HydrophobicContact CZ-CG1 4.22Å; F1002-I1006 WeakPolarHBondContact O-CD1 3.49Å; F1002-I1006 VanDerWaalsContact O-CG1 3.24Å; F1002-I1006 WeakPolarHBondContact O-CG1 3.46Å; F1002-I1006 PolarHBondContact O-N 3.46Å; F1002-A1056 VanDerWaalsContact CE1-O 3.23Å; F1002-A1056 WeakPolarHBondContact CE1-O 3.22Å; F1002-P1058 HydrophobicContact CD1-CB 3.93Å; F1002-P1058 HydrophobicContact CD1-CG 3.98Å; F1002-P1058 HydrophobicContact CE1-CB 3.92Å; F1002-P1058 HydrophobicContact CE1-CG 4.28Å; F1002-N1779 HydrophobicContact CZ-CB 4.48Å |
| 1003 | V | 80.5 | Confident | 79.4 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -50.1 | 179 | 172.7 | 0 | 0 | 0 | 0 | 112.6 | A785 L790 A999 F1005 I1006 C1007 | A785-V1003 HydrophobicContact CB-CB 4.26Å; A785-V1003 HydrophobicContact CB-CG1 4Å; L790-V1003 HydrophobicContact CB-CG1 4.16Å; L790-V1003 HydrophobicContact CD2-CG2 4.47Å; A999-V1003 PolarHBondContact O-N 2.82Å; V1003-F1005 VanDerWaalsContact C-N 3.31Å; V1003-F1005 PolarHBondContact O-N 3.49Å; V1003-I1006 PolarHBondContact O-N 3.18Å; V1003-C1007 PolarHBondContact O-N 2.94Å; V1003-C1007 PolarHBondContact O-SG 2.86Å; V1003-C1007 VanDerWaalsContact O-SG 3.39Å |
| 1004 | P | 84.3 | Confident | 80.5 | Confident | 66 Ų | 66 | 59.5 Ų | 59.5 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.1 | -37.7 | 174.2 | -25 | 35.1 | 0 | 0 | 0 | 113.7 | A785 G1000 C1007 L1008 | A785-P1004 HydrophobicContact CB-CG 4.03Å; G1000-P1004 VanDerWaalsContact O-CD 3.24Å; G1000-P1004 WeakPolarHBondContact O-CD 3.42Å; P1004-C1007 PolarHBondContact O-N 3.45Å; P1004-L1008 PolarHBondContact O-N 2.91Å; P1004-L1008 VanDerWaalsContact O-N 3.13Å |
| 1005 | F | 87.4 | Confident | 81.7 | Confident | 123 Ų | 123 | 59.3 Ų | 59.3 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 177.4 | 174.4 | -99.9 | 0 | 0 | 0 | 112.1 | Y1001 F1002 V1003 C1007 L1008 V1009 | Y1001-F1005 WeakPolarHBondContact O-CB 3.13Å; Y1001-F1005 PolarHBondContact O-N 2.87Å; F1002-F1005 HydrophobicContact CD2-CD1 4.33Å; F1002-F1005 WeakPolarHBondContact O-CB 3.47Å; F1002-F1005 PolarHBondContact O-N 2.85Å; V1003-F1005 VanDerWaalsContact C-N 3.31Å; V1003-F1005 PolarHBondContact O-N 3.49Å; F1005-C1007 PolarHBondContact O-N 3.22Å; F1005-L1008 PolarHBondContact O-N 2.68Å; F1005-V1009 HydrophobicContact CD1-CG2 4.35Å; F1005-V1009 HydrophobicContact CE1-CG2 3.92Å; F1005-V1009 HydrophobicContact CE2-CG2 4.16Å; F1005-V1009 HydrophobicContact CZ-CG2 3.81Å; F1005-V1009 WeakPolarHBondContact O-CG2 3.47Å; F1005-V1009 PolarHBondContact O-N 3.03Å |
| 1006 | I | 88.7 | Confident | 82.8 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 175.9 | -65.7 | 159.4 | 0 | 0 | 0 | 111 | L790 F1002 V1003 L1008 V1009 S1010 L1053 A1056 | L790-I1006 HydrophobicContact CD1-CG2 4.21Å; L790-I1006 HydrophobicContact CD2-CD1 3.97Å; F1002-I1006 HydrophobicContact CD1-CD1 3.67Å; F1002-I1006 HydrophobicContact CD2-CD1 4.17Å; F1002-I1006 HydrophobicContact CD2-CG1 4.21Å; F1002-I1006 HydrophobicContact CE1-CD1 3.62Å; F1002-I1006 HydrophobicContact CE1-CG1 4.47Å; F1002-I1006 HydrophobicContact CE2-CD1 4.1Å; F1002-I1006 HydrophobicContact CE2-CG1 4.09Å; F1002-I1006 HydrophobicContact CG-CD1 3.96Å; F1002-I1006 HydrophobicContact CG-CG1 4.45Å; F1002-I1006 HydrophobicContact CZ-CD1 3.83Å; F1002-I1006 HydrophobicContact CZ-CG1 4.22Å; F1002-I1006 WeakPolarHBondContact O-CD1 3.49Å; F1002-I1006 VanDerWaalsContact O-CG1 3.24Å; F1002-I1006 WeakPolarHBondContact O-CG1 3.46Å; F1002-I1006 PolarHBondContact O-N 3.46Å; V1003-I1006 PolarHBondContact O-N 3.18Å; I1006-L1008 VanDerWaalsContact C-N 3.25Å; I1006-L1008 PolarHBondContact O-N 2.66Å; I1006-V1009 PolarHBondContact O-N 3.25Å; I1006-V1009 VanDerWaalsContact O-N 3.16Å; I1006-S1010 WeakPolarHBondContact O-CB 3.41Å; I1006-S1010 PolarHBondContact O-N 3.11Å; I1006-L1053 HydrophobicContact CG2-CD1 4.17Å; I1006-A1056 HydrophobicContact CB-CB 4.27Å; I1006-A1056 HydrophobicContact CD1-CB 3.49Å; I1006-A1056 VanDerWaalsContact CD1-CB 3.49Å; I1006-A1056 HydrophobicContact CG1-CB 3.65Å; I1006-A1056 HydrophobicContact CG2-CB 3.56Å |
| 1007 | C | 87.5 | Confident | 83.9 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -38 | 178.9 | -65 | 0 | 0 | 0 | 0 | 111.8 | V1003 P1004 F1005 L1011 | V1003-C1007 PolarHBondContact O-N 2.94Å; V1003-C1007 PolarHBondContact O-SG 2.86Å; V1003-C1007 VanDerWaalsContact O-SG 3.39Å; P1004-C1007 PolarHBondContact O-N 3.45Å; F1005-C1007 PolarHBondContact O-N 3.22Å; C1007-L1011 WeakPolarHBondContact O-CB 3.39Å; C1007-L1011 PolarHBondContact O-N 3.35Å |
| 1008 | L | 90.1 | Very high | 84.6 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 58% | 0.576 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.8 | -41.9 | 175 | -168.5 | 154.2 | 0 | 0 | 0 | 111.8 | P1004 F1005 I1006 L1011 T1012 | P1004-L1008 PolarHBondContact O-N 2.91Å; P1004-L1008 VanDerWaalsContact O-N 3.13Å; F1005-L1008 PolarHBondContact O-N 2.68Å; I1006-L1008 VanDerWaalsContact C-N 3.25Å; I1006-L1008 PolarHBondContact O-N 2.66Å; L1008-L1011 PolarHBondContact O-N 3.21Å; L1008-T1012 WeakPolarHBondContact O-CB 3.38Å; L1008-T1012 PolarHBondContact O-N 2.68Å; L1008-T1012 PolarHBondContact O-OG1 2.91Å |
| 1009 | V | 89.5 | Confident | 85.2 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 21% | 0.212 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 175.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | F1005 I1006 L1011 T1012 V1013 V1052 | F1005-V1009 HydrophobicContact CD1-CG2 4.35Å; F1005-V1009 HydrophobicContact CE1-CG2 3.92Å; F1005-V1009 HydrophobicContact CE2-CG2 4.16Å; F1005-V1009 HydrophobicContact CZ-CG2 3.81Å; F1005-V1009 WeakPolarHBondContact O-CG2 3.47Å; F1005-V1009 PolarHBondContact O-N 3.03Å; I1006-V1009 PolarHBondContact O-N 3.25Å; I1006-V1009 VanDerWaalsContact O-N 3.16Å; V1009-L1011 PolarHBondContact O-N 3.43Å; V1009-T1012 WeakPolarHBondContact O-CB 3.43Å; V1009-T1012 PolarHBondContact O-N 2.84Å; V1009-T1012 VanDerWaalsContact O-N 3.14Å; V1009-V1013 HydrophobicContact CG1-CG2 4.34Å; V1009-V1013 WeakPolarHBondContact O-CB 3.28Å; V1009-V1013 WeakPolarHBondContact O-CG2 3.37Å; V1009-V1013 PolarHBondContact O-N 3.15Å; V1009-V1052 HydrophobicContact CG1-CG1 4.15Å |
| 1010 | S | 90.1 | Very high | 86 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | I1006 T1012 V1013 F1014 A1049 | I1006-S1010 WeakPolarHBondContact O-CB 3.41Å; I1006-S1010 PolarHBondContact O-N 3.11Å; S1010-T1012 PolarHBondContact O-N 2.65Å; S1010-V1013 PolarHBondContact O-N 3.28Å; S1010-F1014 WeakPolarHBondContact O-CB 3.33Å; S1010-F1014 PolarHBondContact O-N 3.42Å; S1010-A1049 PolarHBondContact OG-O 2.63Å |
| 1011 | L | 91 | Very high | 86.3 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 53% | 0.534 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 173.7 | -178.6 | 63.3 | 0 | 0 | 0 | 112.5 | C1007 L1008 V1009 F1014 I1015 | C1007-L1011 WeakPolarHBondContact O-CB 3.39Å; C1007-L1011 PolarHBondContact O-N 3.35Å; L1008-L1011 PolarHBondContact O-N 3.21Å; V1009-L1011 PolarHBondContact O-N 3.43Å; L1011-F1014 PolarHBondContact O-N 3.24Å; L1011-I1015 HydrophobicContact CD1-CD1 4.11Å; L1011-I1015 HydrophobicContact CD1-CG1 4.48Å; L1011-I1015 HydrophobicContact CG-CD1 4.04Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.41Å; L1011-I1015 PolarHBondContact O-N 3.42Å |
| 1012 | T | 91 | Very high | 86.4 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 176.7 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | L1008 V1009 S1010 I1015 L1016 | L1008-T1012 WeakPolarHBondContact O-CB 3.38Å; L1008-T1012 PolarHBondContact O-N 2.68Å; L1008-T1012 PolarHBondContact O-OG1 2.91Å; V1009-T1012 WeakPolarHBondContact O-CB 3.43Å; V1009-T1012 PolarHBondContact O-N 2.84Å; V1009-T1012 VanDerWaalsContact O-N 3.14Å; S1010-T1012 PolarHBondContact O-N 2.65Å; T1012-I1015 PolarHBondContact O-N 2.8Å; T1012-L1016 WeakPolarHBondContact O-CB 3.19Å; T1012-L1016 PolarHBondContact O-N 3.12Å |
| 1013 | V | 89.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 174.6 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | V1009 S1010 L1016 W1017 M1048 V1052 A1787 | V1009-V1013 HydrophobicContact CG1-CG2 4.34Å; V1009-V1013 WeakPolarHBondContact O-CB 3.28Å; V1009-V1013 WeakPolarHBondContact O-CG2 3.37Å; V1009-V1013 PolarHBondContact O-N 3.15Å; S1010-V1013 PolarHBondContact O-N 3.28Å; V1013-L1016 PolarHBondContact O-N 2.94Å; V1013-W1017 WeakPolarHBondContact O-CB 3.09Å; V1013-W1017 VanDerWaalsContact O-CD1 3.31Å; V1013-W1017 PolarHBondContact O-N 3.39Å; V1013-M1048 HydrophobicContact CG1-CB 4.17Å; V1013-V1052 HydrophobicContact CG1-CG2 4.28Å; V1013-V1052 HydrophobicContact CG2-CG2 4.39Å; V1013-A1787 HydrophobicContact CG2-CB 3.85Å |
| 1014 | F | 89.4 | Confident | 86.4 | Confident | 54 Ų | 54 | 62.5 Ų | 62.5 | 24% | 0.237 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.1 | -50.9 | 175.4 | -176.3 | -119.8 | 0 | 0 | 0 | 112.3 | S1010 L1011 I1018 A1045 F1046 A1049 | S1010-F1014 WeakPolarHBondContact O-CB 3.33Å; S1010-F1014 PolarHBondContact O-N 3.42Å; L1011-F1014 PolarHBondContact O-N 3.24Å; F1014-I1018 HydrophobicContact CD1-CD1 4.11Å; F1014-I1018 HydrophobicContact CD2-CD1 4.2Å; F1014-I1018 HydrophobicContact CE1-CD1 3.67Å; F1014-I1018 HydrophobicContact CE2-CD1 3.75Å; F1014-I1018 HydrophobicContact CE2-CG1 4.48Å; F1014-I1018 HydrophobicContact CG-CD1 4.36Å; F1014-I1018 HydrophobicContact CZ-CD1 3.48Å; F1014-I1018 VanDerWaalsContact CZ-CD1 3.48Å; F1014-I1018 WeakPolarHBondContact O-CG1 3.45Å; F1014-I1018 PolarHBondContact O-N 2.92Å; F1014-A1045 HydrophobicContact CD2-CB 3.92Å; F1014-A1045 HydrophobicContact CE2-CB 4.21Å; F1014-F1046 HydrophobicContact CD2-CD2 4.43Å; F1014-F1046 HydrophobicContact CE2-CB 4.05Å; F1014-F1046 AromaticContact CE2-CD2 3.74Å; F1014-F1046 HydrophobicContact CE2-CD2 3.74Å; F1014-F1046 HydrophobicContact CE2-CG 4.4Å; F1014-F1046 HydrophobicContact CZ-CD2 4.21Å; F1014-A1049 HydrophobicContact CB-CB 3.8Å; F1014-A1049 HydrophobicContact CD2-CB 4.18Å; F1014-A1049 HydrophobicContact CG-CB 4.38Å |
| 1015 | I | 90.3 | Very high | 85.7 | Confident | 87 Ų | 87 | 60.6 Ų | 60.6 | 45% | 0.446 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 179.2 | -66 | 167 | 0 | 0 | 0 | 110.9 | L1011 T1012 I1018 N1019 | L1011-I1015 HydrophobicContact CD1-CD1 4.11Å; L1011-I1015 HydrophobicContact CD1-CG1 4.48Å; L1011-I1015 HydrophobicContact CG-CD1 4.04Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.41Å; L1011-I1015 PolarHBondContact O-N 3.42Å; T1012-I1015 PolarHBondContact O-N 2.8Å; I1015-I1018 PolarHBondContact O-N 3.33Å; I1015-N1019 PolarHBondContact O-N 3.36Å; I1015-N1019 VanDerWaalsContact O-N 3.07Å; I1015-N1019 PolarHBondContact O-ND2 3.44Å |
| 1016 | L | 87.2 | Confident | 84.9 | Confident | 88 Ų | 88 | 60 Ų | 60 | 46% | 0.461 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 178.9 | -178.9 | 66.1 | 0 | 0 | 0 | 111.5 | T1012 V1013 N1019 L1020 | T1012-L1016 WeakPolarHBondContact O-CB 3.19Å; T1012-L1016 PolarHBondContact O-N 3.12Å; V1013-L1016 PolarHBondContact O-N 2.94Å; L1016-N1019 PolarHBondContact O-N 2.79Å; L1016-L1020 HydrophobicContact CD1-CD1 4.15Å; L1016-L1020 HydrophobicContact CG-CD1 4.08Å; L1016-L1020 WeakPolarHBondContact O-CB 3.38Å; L1016-L1020 PolarHBondContact O-N 2.61Å |
| 1017 | W | 85 | Confident | 83.9 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 10% | 0.095 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.6 | -31.8 | 179.3 | -82 | 104.9 | 0 | 0 | 0 | 113.6 | V1013 G1021 H1044 A1045 A1787 I1791 | V1013-W1017 WeakPolarHBondContact O-CB 3.09Å; V1013-W1017 VanDerWaalsContact O-CD1 3.31Å; V1013-W1017 PolarHBondContact O-N 3.39Å; W1017-G1021 PolarHBondContact O-N 2.95Å; W1017-H1044 AromaticContact CE3-CD2 3.76Å; W1017-H1044 AromaticContact CZ3-NE2 3.9Å; W1017-A1045 HydrophobicContact CB-CB 3.54Å; W1017-A1787 PolarHBondContact NE1-O 3.2Å; W1017-I1791 HydrophobicContact CH2-CD1 4.09Å; W1017-I1791 HydrophobicContact CZ2-CD1 3.93Å |
| 1018 | I | 85.1 | Confident | 82.9 | Confident | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 169.7 | -75.6 | 172.2 | 0 | 0 | 0 | 110.6 | F1014 I1015 G1021 L1022 I1042 A1045 | F1014-I1018 HydrophobicContact CD1-CD1 4.11Å; F1014-I1018 HydrophobicContact CD2-CD1 4.2Å; F1014-I1018 HydrophobicContact CE1-CD1 3.67Å; F1014-I1018 HydrophobicContact CE2-CD1 3.75Å; F1014-I1018 HydrophobicContact CE2-CG1 4.48Å; F1014-I1018 HydrophobicContact CG-CD1 4.36Å; F1014-I1018 HydrophobicContact CZ-CD1 3.48Å; F1014-I1018 VanDerWaalsContact CZ-CD1 3.48Å; F1014-I1018 WeakPolarHBondContact O-CG1 3.45Å; F1014-I1018 PolarHBondContact O-N 2.92Å; I1015-I1018 PolarHBondContact O-N 3.33Å; I1018-G1021 PolarHBondContact O-N 3.4Å; I1018-L1022 HydrophobicContact CG2-CD1 3.89Å; I1018-L1022 WeakPolarHBondContact O-CB 3.45Å; I1018-L1022 VanDerWaalsContact O-CG 3.26Å; I1018-L1022 WeakPolarHBondContact O-CG 3.32Å; I1018-L1022 PolarHBondContact O-N 3.08Å; I1018-L1022 VanDerWaalsContact O-N 3.07Å; I1018-I1042 HydrophobicContact CD1-CG1 4.21Å; I1018-I1042 HydrophobicContact CG1-CG1 4.29Å; I1018-A1045 HydrophobicContact CG1-CB 3.75Å |
| 1019 | N | 85.9 | Confident | 81.4 | Confident | 81 Ų | 81 | 61.8 Ų | 61.8 | 43% | 0.433 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 179.7 | -76.5 | -81.4 | 0 | 0 | 0 | 111.9 | I1015 L1016 L1022 L1023 | I1015-N1019 PolarHBondContact O-N 3.36Å; I1015-N1019 VanDerWaalsContact O-N 3.07Å; I1015-N1019 PolarHBondContact O-ND2 3.44Å; L1016-N1019 PolarHBondContact O-N 2.79Å; N1019-L1022 PolarHBondContact O-N 2.91Å; N1019-L1023 VanDerWaalsContact O-CB 3.32Å; N1019-L1023 WeakPolarHBondContact O-CB 3.48Å; N1019-L1023 WeakPolarHBondContact O-CD1 3.22Å; N1019-L1023 VanDerWaalsContact O-CG 3.28Å; N1019-L1023 WeakPolarHBondContact O-CG 3.49Å; N1019-L1023 PolarHBondContact O-N 3.09Å |
| 1020 | L | 82.9 | Confident | 79.8 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 175.3 | -94.8 | 156 | 0 | 0 | 0 | 112.6 | L1016 L1022 L1023 V1024 | L1016-L1020 HydrophobicContact CD1-CD1 4.15Å; L1016-L1020 HydrophobicContact CG-CD1 4.08Å; L1016-L1020 WeakPolarHBondContact O-CB 3.38Å; L1016-L1020 PolarHBondContact O-N 2.61Å; L1020-L1022 VanDerWaalsContact C-N 3.3Å; L1020-L1022 PolarHBondContact O-N 2.83Å; L1020-L1023 PolarHBondContact O-N 3.08Å; L1020-V1024 CarbonylContact O-C 3.44Å; L1020-V1024 WeakPolarHBondContact O-CA 3.27Å; L1020-V1024 PolarHBondContact O-N 3.43Å |
| 1021 | G | 77.7 | Confident | 78 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.8 | -26.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | W1017 I1018 | W1017-G1021 PolarHBondContact O-N 2.95Å; I1018-G1021 PolarHBondContact O-N 3.4Å |
| 1022 | L | 81.1 | Confident | 76.3 | Confident | 93 Ų | 93 | 64.9 Ų | 64.9 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -83.2 | -32.6 | 173.2 | -69.7 | 169.6 | 0 | 0 | 0 | 113 | I1018 N1019 L1020 I1037 P1038 | I1018-L1022 HydrophobicContact CG2-CD1 3.89Å; I1018-L1022 WeakPolarHBondContact O-CB 3.45Å; I1018-L1022 VanDerWaalsContact O-CG 3.26Å; I1018-L1022 WeakPolarHBondContact O-CG 3.32Å; I1018-L1022 PolarHBondContact O-N 3.08Å; I1018-L1022 VanDerWaalsContact O-N 3.07Å; N1019-L1022 PolarHBondContact O-N 2.91Å; L1020-L1022 VanDerWaalsContact C-N 3.3Å; L1020-L1022 PolarHBondContact O-N 2.83Å; L1022-I1037 HydrophobicContact CD2-CG2 4.32Å; L1022-P1038 HydrophobicContact CD2-CB 4.23Å |
| 1023 | L | 82.7 | Confident | 74.4 | Confident | 137 Ų | 137 | 67 Ų | 67 | 72% | 0.717 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -84.6 | -38.2 | -179.4 | -74.5 | 165.4 | 0 | 0 | 0 | 113.4 | N1019 L1020 | N1019-L1023 VanDerWaalsContact O-CB 3.32Å; N1019-L1023 WeakPolarHBondContact O-CB 3.48Å; N1019-L1023 WeakPolarHBondContact O-CD1 3.22Å; N1019-L1023 VanDerWaalsContact O-CG 3.28Å; N1019-L1023 WeakPolarHBondContact O-CG 3.49Å; N1019-L1023 PolarHBondContact O-N 3.09Å; L1020-L1023 PolarHBondContact O-N 3.08Å |
| 1024 | V | 79.3 | Confident | 72.7 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 39% | 0.388 | 39% | 0.388 | S | S | . | . | trans | -139.2 | 72.2 | -172.5 | -165.4 | 0 | 0 | 0 | 0 | 109.5 | L1020 T1026 T1027 | L1020-V1024 CarbonylContact O-C 3.44Å; L1020-V1024 WeakPolarHBondContact O-CA 3.27Å; L1020-V1024 PolarHBondContact O-N 3.43Å; V1024-T1026 PolarHBondContact O-N 3.35Å; V1024-T1026 VanDerWaalsContact O-N 3.1Å; V1024-T1027 HydrophobicContact CB-CG2 4.15Å; V1024-T1027 HydrophobicContact CG1-CG2 3.86Å; V1024-T1027 WeakPolarHBondContact O-CB 3.42Å; V1024-T1027 PolarHBondContact O-N 3.32Å; V1024-T1027 PolarHBondContact O-OG1 3.05Å | ||
| 1025 | P | 69.3 | Low | 71.1 | Confident | 25 Ų | 25 | 68.2 Ų | 68.2 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -61.9 | -22.2 | -173.1 | 24.2 | -34.8 | 0 | 0 | 0 | 113.9 | T1027 I1028 Y1031 I1037 | P1025-T1027 PolarHBondContact O-N 3.02Å; P1025-T1027 VanDerWaalsContact O-N 3.12Å; P1025-I1028 PolarHBondContact O-N 3.48Å; P1025-I1028 VanDerWaalsContact O-N 3.08Å; P1025-Y1031 HydrophobicContact CB-CD1 4.32Å; P1025-Y1031 HydrophobicContact CB-CD2 3.93Å; P1025-Y1031 HydrophobicContact CB-CE1 4.19Å; P1025-Y1031 HydrophobicContact CB-CE2 3.81Å; P1025-Y1031 HydrophobicContact CB-CG 4.19Å; P1025-Y1031 HydrophobicContact CG-CE1 4.24Å; P1025-Y1031 HydrophobicContact CG-CE2 4.33Å; P1025-I1037 HydrophobicContact CB-CG2 4.34Å |
| 1026 | T | 69.9 | Low | 70.1 | Confident | 111 Ų | 111 | 67.6 Ų | 67.6 | 68% | 0.681 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -64.3 | -10.3 | 173.9 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | V1024 I1028 Y1031 | V1024-T1026 PolarHBondContact O-N 3.35Å; V1024-T1026 VanDerWaalsContact O-N 3.1Å; T1026-I1028 VanDerWaalsContact C-N 3.3Å; T1026-Y1031 HydrophobicContact CG2-CD1 4.43Å; T1026-Y1031 HydrophobicContact CG2-CE1 4.46Å |
| 1027 | T | 68 | Low | 69.4 | Low | 60 Ų | 60 | 66.2 Ų | 66.2 | 37% | 0.368 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -76.7 | -15.7 | 171.9 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | V1024 P1025 | V1024-T1027 HydrophobicContact CB-CG2 4.15Å; V1024-T1027 HydrophobicContact CG1-CG2 3.86Å; V1024-T1027 WeakPolarHBondContact O-CB 3.42Å; V1024-T1027 PolarHBondContact O-N 3.32Å; V1024-T1027 PolarHBondContact O-OG1 3.05Å; P1025-T1027 PolarHBondContact O-N 3.02Å; P1025-T1027 VanDerWaalsContact O-N 3.12Å |
| 1028 | I | 67.2 | Low | 69 | Low | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.051 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -90.9 | 118 | -178.7 | -52.6 | 172.8 | 0 | 0 | 0 | 109.5 | P1025 T1026 G1030 Y1031 L1040 A1041 H1044 | P1025-I1028 PolarHBondContact O-N 3.48Å; P1025-I1028 VanDerWaalsContact O-N 3.08Å; T1026-I1028 VanDerWaalsContact C-N 3.3Å; I1028-G1030 PolarHBondContact O-N 3.42Å; I1028-Y1031 WeakPolarHBondContact O-CB 3.46Å; I1028-Y1031 PolarHBondContact O-N 3.03Å; I1028-L1040 HydrophobicContact CG2-CD2 4.04Å; I1028-L1040 HydrophobicContact CG2-CG 4.1Å; I1028-A1041 HydrophobicContact CD1-CB 4.06Å; I1028-H1044 HydrophobicContact CG2-CB 4.28Å |
| 1029 | K | 57.2 | Low | 68.4 | Low | 126 Ų | 126 | 70.2 Ų | 70.2 | 55% | 0.548 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 123.7 | 170.4 | -72.4 | -179.9 | -175.8 | 166 | 0 | 109.9 | E1800 | K1029-E1800 IonicContact NZ-OE2 3.94Å; K1029-E1800 PolarHBondContact NZ-OE2 3.46Å; K1029-E1800 VanDerWaalsContact NZ-OE2 3.14Å |
| 1030 | G | 57.1 | Low | 67.7 | Low | 64 Ų | 64 | 68.8 Ų | 68.8 | 66% | 0.66 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.8 | 15 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | I1028 E1032 | I1028-G1030 PolarHBondContact O-N 3.42Å; G1030-E1032 PolarHBondContact O-N 2.91Å |
| 1031 | Y | 51.9 | Low | 67.6 | Low | 75 Ų | 75 | 65.8 Ų | 65.8 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | trans | -75.8 | 110 | 167.2 | 174.2 | -109.3 | 0 | 0 | 0 | 111.5 | P1025 T1026 I1028 I1037 | P1025-Y1031 HydrophobicContact CB-CD1 4.32Å; P1025-Y1031 HydrophobicContact CB-CD2 3.93Å; P1025-Y1031 HydrophobicContact CB-CE1 4.19Å; P1025-Y1031 HydrophobicContact CB-CE2 3.81Å; P1025-Y1031 HydrophobicContact CB-CG 4.19Å; P1025-Y1031 HydrophobicContact CG-CE1 4.24Å; P1025-Y1031 HydrophobicContact CG-CE2 4.33Å; T1026-Y1031 HydrophobicContact CG2-CD1 4.43Å; T1026-Y1031 HydrophobicContact CG2-CE1 4.46Å; I1028-Y1031 WeakPolarHBondContact O-CB 3.46Å; I1028-Y1031 PolarHBondContact O-N 3.03Å; Y1031-I1037 HydrophobicContact CE2-CG1 4.2Å | ||
| 1032 | E | 54.1 | Low | 67.7 | Low | 75 Ų | 75 | 69.1 Ų | 69.1 | 35% | 0.35 | 41% | 0.408 | S | S | . | . | trans | -104.4 | 146.4 | 163.9 | -76 | -179.3 | -161.1 | 0 | 0 | 110.8 | G1030 G1034 | G1030-E1032 PolarHBondContact O-N 2.91Å; E1032-G1034 PolarHBondContact O-N 2.92Å | ||
| 1033 | P | 52.2 | Low | 67.4 | Low | 122 Ų | 122 | 66 Ų | 66 | 79% | 0.792 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 87.5 | -178.8 | 30.5 | -35.4 | 0 | 0 | 0 | 111.9 | ||
| 1034 | G | 52.2 | Low | 67.2 | Low | 44 Ų | 44 | 60.5 Ų | 60.5 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 169.5 | -28.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1032 | E1032-G1034 PolarHBondContact O-N 2.92Š|
| 1035 | C | 57.2 | Low | 67.5 | Low | 45 Ų | 45 | 57.5 Ų | 57.5 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -64.6 | 155.5 | -178.8 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | I1037 | C1035-I1037 VanDerWaalsContact C-N 3.34Å; C1035-I1037 PolarHBondContact O-N 3.39Å |
| 1036 | S | 69.1 | Low | 68.2 | Low | 74 Ų | 74 | 58.1 Ų | 58.1 | 52% | 0.517 | 34% | 0.344 | S | S | . | . | trans | -71.5 | 84 | 174.9 | 45.8 | 0 | 0 | 0 | 0 | 111.9 | P1038 L1039 L1040 | S1036-P1038 VanDerWaalsContact C-N 3.34Å; S1036-P1038 WeakPolarHBondContact O-CD 3.42Å; S1036-L1039 PolarHBondContact O-N 2.71Å; S1036-L1040 PolarHBondContact O-N 3.02Å | ||
| 1037 | I | 71.4 | Confident | 68.6 | Low | 59 Ų | 59 | 55.7 Ų | 55.7 | 30% | 0.303 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -30.1 | -54.7 | 178.5 | -55.6 | 175.4 | 0 | 0 | 0 | 114.5 | L1022 P1025 Y1031 C1035 L1039 L1040 A1041 | L1022-I1037 HydrophobicContact CD2-CG2 4.32Å; P1025-I1037 HydrophobicContact CB-CG2 4.34Å; Y1031-I1037 HydrophobicContact CE2-CG1 4.2Å; C1035-I1037 VanDerWaalsContact C-N 3.34Å; C1035-I1037 PolarHBondContact O-N 3.39Å; I1037-L1039 VanDerWaalsContact C-N 3.32Å; I1037-L1039 PolarHBondContact O-N 3.34Å; I1037-L1040 PolarHBondContact O-N 2.92Å; I1037-A1041 WeakPolarHBondContact O-CB 3.32Å; I1037-A1041 PolarHBondContact O-N 2.91Å |
| 1038 | P | 76.6 | Confident | 69.4 | Low | 71 Ų | 71 | 53.2 Ų | 53.2 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -34.7 | -178.1 | 22.7 | -35.1 | 0 | 0 | 0 | 114.3 | L1022 S1036 I1042 | L1022-P1038 HydrophobicContact CD2-CB 4.23Å; S1036-P1038 VanDerWaalsContact C-N 3.34Å; S1036-P1038 WeakPolarHBondContact O-CD 3.42Å; P1038-I1042 WeakPolarHBondContact O-CB 3.43Å; P1038-I1042 WeakPolarHBondContact O-CD1 3.28Å; P1038-I1042 WeakPolarHBondContact O-CG1 3.27Å; P1038-I1042 PolarHBondContact O-N 3.47Å |
| 1039 | L | 72.7 | Confident | 70.4 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -71.7 | -41.3 | -179 | -175.5 | 63.4 | 0 | 0 | 0 | 111.3 | W814 S1036 I1037 I1042 D1043 | W814-L1039 HydrophobicContact CH2-CD2 3.92Å; S1036-L1039 PolarHBondContact O-N 2.71Å; I1037-L1039 VanDerWaalsContact C-N 3.32Å; I1037-L1039 PolarHBondContact O-N 3.34Å; L1039-I1042 PolarHBondContact O-N 3.09Å; L1039-D1043 PolarHBondContact O-N 2.97Å |
| 1040 | L | 71.9 | Confident | 71.6 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 27% | 0.267 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 177.6 | -167.3 | 72.3 | 0 | 0 | 0 | 111.5 | I1028 S1036 I1037 I1042 D1043 H1044 | I1028-L1040 HydrophobicContact CG2-CD2 4.04Å; I1028-L1040 HydrophobicContact CG2-CG 4.1Å; S1036-L1040 PolarHBondContact O-N 3.02Å; I1037-L1040 PolarHBondContact O-N 2.92Å; L1040-I1042 VanDerWaalsContact C-N 3.33Å; L1040-I1042 PolarHBondContact O-N 2.99Å; L1040-D1043 PolarHBondContact O-N 3.28Å; L1040-H1044 PolarHBondContact O-N 2.89Å; L1040-H1044 VanDerWaalsContact O-N 3.11Å |
| 1041 | A | 79.9 | Confident | 73 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1028 I1037 A1045 | I1028-A1041 HydrophobicContact CD1-CB 4.06Å; I1037-A1041 WeakPolarHBondContact O-CB 3.32Å; I1037-A1041 PolarHBondContact O-N 2.91Å; A1041-A1045 WeakPolarHBondContact O-CB 3.46Å; A1041-A1045 PolarHBondContact O-N 3.42Å |
| 1042 | I | 80.7 | Confident | 74.7 | Confident | 70 Ų | 70 | 40.9 Ų | 40.9 | 36% | 0.359 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.9 | -46.6 | 176.8 | -72.8 | 165.6 | 0 | 0 | 0 | 111.4 | I1018 P1038 L1039 L1040 H1044 A1045 F1046 | I1018-I1042 HydrophobicContact CD1-CG1 4.21Å; I1018-I1042 HydrophobicContact CG1-CG1 4.29Å; P1038-I1042 WeakPolarHBondContact O-CB 3.43Å; P1038-I1042 WeakPolarHBondContact O-CD1 3.28Å; P1038-I1042 WeakPolarHBondContact O-CG1 3.27Å; P1038-I1042 PolarHBondContact O-N 3.47Å; L1039-I1042 PolarHBondContact O-N 3.09Å; L1040-I1042 VanDerWaalsContact C-N 3.33Å; L1040-I1042 PolarHBondContact O-N 2.99Å; I1042-H1044 PolarHBondContact O-N 3.43Å; I1042-A1045 PolarHBondContact O-N 3.33Å; I1042-F1046 WeakPolarHBondContact O-CB 3.39Å; I1042-F1046 PolarHBondContact O-N 3.44Å |
| 1043 | D | 75 | Confident | 76.2 | Confident | 29 Ų | 29 | 37.7 Ų | 37.7 | 16% | 0.155 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 178 | 179.2 | 75.7 | 0 | 0 | 0 | 111.8 | Y801 L1039 L1040 F1046 R1047 | Y801-D1043 WeakPolarHBondContact OH-CB 3.47Å; Y801-D1043 PolarHBondContact OH-OD1 3.26Å; L1039-D1043 PolarHBondContact O-N 2.97Å; L1040-D1043 PolarHBondContact O-N 3.28Å; D1043-F1046 PolarHBondContact O-N 3.39Å; D1043-R1047 WeakPolarHBondContact O-CG 3.21Å; D1043-R1047 PolarHBondContact O-N 3.26Å; D1043-R1047 IonicContact OD1-CZ 2.82Å; D1043-R1047 IonicContact OD1-NE 3.73Å; D1043-R1047 PolarHBondContact OD1-NE 2.98Å; D1043-R1047 IonicContact OD1-NH2 2.65Å; D1043-R1047 PolarHBondContact OD1-NH2 3.33Å; D1043-R1047 IonicContact OD2-CZ 2.73Å; D1043-R1047 IonicContact OD2-NE 2.63Å; D1043-R1047 PolarHBondContact OD2-NE 2.96Å; D1043-R1047 IonicContact OD2-NH2 2.62Å; D1043-R1047 PolarHBondContact OD2-NH2 2.85Å |
| 1044 | H | 78.4 | Confident | 77.5 | Confident | 21 Ų | 21 | 32 Ų | 32 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -46.9 | 178.6 | -169.6 | 72 | 0 | 0 | 0 | 112.4 | W1017 I1028 L1040 I1042 F1046 R1047 M1048 E1800 | W1017-H1044 AromaticContact CE3-CD2 3.76Å; W1017-H1044 AromaticContact CZ3-NE2 3.9Å; I1028-H1044 HydrophobicContact CG2-CB 4.28Å; L1040-H1044 PolarHBondContact O-N 2.89Å; L1040-H1044 VanDerWaalsContact O-N 3.11Å; I1042-H1044 PolarHBondContact O-N 3.43Å; H1044-F1046 VanDerWaalsContact C-N 3.29Å; H1044-F1046 PolarHBondContact O-N 2.84Å; H1044-R1047 PolarHBondContact O-N 2.96Å; H1044-M1048 VanDerWaalsContact CE1-CE 3.44Å; H1044-M1048 WeakPolarHBondContact CE1-CE 3.44Å; H1044-M1048 WeakPolarHBondContact O-CG 3.45Å; H1044-M1048 PolarHBondContact O-N 3.04Å; H1044-M1048 VanDerWaalsContact O-N 3.1Å; H1044-E1800 IonicContact CE1-OE1 2.85Å |
| 1045 | A | 85.7 | Confident | 79 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -38.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1014 W1017 I1018 A1041 I1042 A1049 | F1014-A1045 HydrophobicContact CD2-CB 3.92Å; F1014-A1045 HydrophobicContact CE2-CB 4.21Å; W1017-A1045 HydrophobicContact CB-CB 3.54Å; I1018-A1045 HydrophobicContact CG1-CB 3.75Å; A1041-A1045 WeakPolarHBondContact O-CB 3.46Å; A1041-A1045 PolarHBondContact O-N 3.42Å; I1042-A1045 PolarHBondContact O-N 3.33Å; A1045-A1049 VanDerWaalsContact O-CB 3.27Å; A1045-A1049 WeakPolarHBondContact O-CB 3.48Å; A1045-A1049 PolarHBondContact O-N 3.17Å |
| 1046 | F | 83.7 | Confident | 80.2 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 17% | 0.167 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.4 | -40.4 | -179.8 | -160.7 | -97.3 | 0 | 0 | 0 | 111.9 | I797 Y801 F1014 I1042 D1043 H1044 A1049 I1050 | I797-F1046 HydrophobicContact CG2-CE1 3.95Å; I797-F1046 HydrophobicContact CG2-CE2 3.97Å; I797-F1046 HydrophobicContact CG2-CZ 3.3Å; Y801-F1046 AromaticContact CD1-CD1 3.93Å; Y801-F1046 HydrophobicContact CD1-CD1 3.93Å; Y801-F1046 AromaticContact CD1-CE1 3.77Å; Y801-F1046 HydrophobicContact CD1-CE1 3.77Å; Y801-F1046 AromaticContact CD2-CD1 3.77Å; Y801-F1046 HydrophobicContact CD2-CD1 3.77Å; Y801-F1046 AromaticContact CD2-CE1 3.52Å; Y801-F1046 HydrophobicContact CD2-CE1 3.52Å; Y801-F1046 HydrophobicContact CD2-CE2 4.34Å; Y801-F1046 HydrophobicContact CD2-CG 4.27Å; Y801-F1046 AromaticContact CD2-CZ 3.81Å; Y801-F1046 HydrophobicContact CD2-CZ 3.81Å; Y801-F1046 HydrophobicContact CE1-CD1 4.17Å; Y801-F1046 HydrophobicContact CE1-CE1 4.46Å; Y801-F1046 HydrophobicContact CE2-CD1 4.03Å; Y801-F1046 HydrophobicContact CE2-CE1 4.26Å; Y801-F1046 HydrophobicContact CE2-CG 4.3Å; Y801-F1046 AromaticContact CG-CD1 3.71Å; Y801-F1046 HydrophobicContact CG-CD1 3.71Å; Y801-F1046 AromaticContact CG-CE1 3.23Å; Y801-F1046 HydrophobicContact CG-CE1 3.23Å; Y801-F1046 AromaticContact CG-CZ 3.82Å; Y801-F1046 HydrophobicContact CG-CZ 3.82Å; F1014-F1046 HydrophobicContact CD2-CD2 4.43Å; F1014-F1046 HydrophobicContact CE2-CB 4.05Å; F1014-F1046 AromaticContact CE2-CD2 3.74Å; F1014-F1046 HydrophobicContact CE2-CD2 3.74Å; F1014-F1046 HydrophobicContact CE2-CG 4.4Å; F1014-F1046 HydrophobicContact CZ-CD2 4.21Å; I1042-F1046 WeakPolarHBondContact O-CB 3.39Å; I1042-F1046 PolarHBondContact O-N 3.44Å; D1043-F1046 PolarHBondContact O-N 3.39Å; H1044-F1046 VanDerWaalsContact C-N 3.29Å; H1044-F1046 PolarHBondContact O-N 2.84Å; F1046-A1049 PolarHBondContact O-N 2.89Å; F1046-I1050 HydrophobicContact CD1-CD1 3.59Å; F1046-I1050 HydrophobicContact CD1-CG1 4.41Å; F1046-I1050 HydrophobicContact CE1-CD1 3.39Å; F1046-I1050 HydrophobicContact CE1-CG1 4.35Å; F1046-I1050 HydrophobicContact CZ-CD1 4.27Å; F1046-I1050 WeakPolarHBondContact O-CG1 3.19Å; F1046-I1050 PolarHBondContact O-N 2.84Å |
| 1047 | R | 79.1 | Confident | 80.5 | Confident | 60 Ų | 60 | 25 Ų | 25 | 23% | 0.226 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.2 | -51.1 | 171.8 | -71.9 | 176.9 | -164.3 | -78.2 | -19.7 | 111.3 | R819 D1043 H1044 A1049 I1050 T1051 | R819-R1047 PolarHBondContact O-NH2 2.88Å; D1043-R1047 WeakPolarHBondContact O-CG 3.21Å; D1043-R1047 PolarHBondContact O-N 3.26Å; D1043-R1047 IonicContact OD1-CZ 2.82Å; D1043-R1047 IonicContact OD1-NE 3.73Å; D1043-R1047 PolarHBondContact OD1-NE 2.98Å; D1043-R1047 IonicContact OD1-NH2 2.65Å; D1043-R1047 PolarHBondContact OD1-NH2 3.33Å; D1043-R1047 IonicContact OD2-CZ 2.73Å; D1043-R1047 IonicContact OD2-NE 2.63Å; D1043-R1047 PolarHBondContact OD2-NE 2.96Å; D1043-R1047 IonicContact OD2-NH2 2.62Å; D1043-R1047 PolarHBondContact OD2-NH2 2.85Å; H1044-R1047 PolarHBondContact O-N 2.96Å; R1047-A1049 PolarHBondContact O-N 3.46Å; R1047-I1050 PolarHBondContact O-N 3.46Å; R1047-T1051 PolarHBondContact O-N 3.22Å; R1047-T1051 PolarHBondContact O-OG1 3.48Å |
| 1048 | M | 83.9 | Confident | 80.6 | Confident | 9 Ų | 9 | 22.6 Ų | 22.6 | 4% | 0.044 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 178.2 | -68.9 | -64.9 | 176.2 | 0 | 0 | 112.2 | V1013 H1044 I1050 T1051 V1052 I1791 E1800 | V1013-M1048 HydrophobicContact CG1-CB 4.17Å; H1044-M1048 VanDerWaalsContact CE1-CE 3.44Å; H1044-M1048 WeakPolarHBondContact CE1-CE 3.44Å; H1044-M1048 WeakPolarHBondContact O-CG 3.45Å; H1044-M1048 PolarHBondContact O-N 3.04Å; H1044-M1048 VanDerWaalsContact O-N 3.1Å; M1048-I1050 VanDerWaalsContact C-N 3.35Å; M1048-I1050 PolarHBondContact O-N 3.28Å; M1048-T1051 PolarHBondContact O-N 2.87Å; M1048-V1052 WeakPolarHBondContact O-CG2 3.46Å; M1048-V1052 PolarHBondContact O-N 3.2Å; M1048-I1791 HydrophobicContact CE-CD1 3.84Å; M1048-E1800 HydrophobicContact CE-CG 4.15Å |
| 1049 | A | 87.9 | Confident | 80.3 | Confident | 8 Ų | 8 | 19.9 Ų | 19.9 | 7% | 0.066 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1010 F1014 A1045 F1046 R1047 L1053 | S1010-A1049 PolarHBondContact OG-O 2.63Å; F1014-A1049 HydrophobicContact CB-CB 3.8Å; F1014-A1049 HydrophobicContact CD2-CB 4.18Å; F1014-A1049 HydrophobicContact CG-CB 4.38Å; A1045-A1049 VanDerWaalsContact O-CB 3.27Å; A1045-A1049 WeakPolarHBondContact O-CB 3.48Å; A1045-A1049 PolarHBondContact O-N 3.17Å; F1046-A1049 PolarHBondContact O-N 2.89Å; R1047-A1049 PolarHBondContact O-N 3.46Å; A1049-L1053 WeakPolarHBondContact O-CB 3.3Å; A1049-L1053 PolarHBondContact O-N 3.28Å; A1049-L1053 VanDerWaalsContact O-N 3.17Å |
| 1050 | I | 84.1 | Confident | 80.4 | Confident | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.8 | -47 | 173.5 | -71.5 | 171.5 | 0 | 0 | 0 | 110.9 | I797 A798 T824 F1046 R1047 M1048 V1052 L1053 T1054 P1803 | I797-I1050 HydrophobicContact CG2-CD1 4.25Å; I797-I1050 HydrophobicContact CG2-CG1 4.34Å; A798-I1050 HydrophobicContact CB-CD1 4Å; T824-I1050 HydrophobicContact CG2-CG2 4.4Å; F1046-I1050 HydrophobicContact CD1-CD1 3.59Å; F1046-I1050 HydrophobicContact CD1-CG1 4.41Å; F1046-I1050 HydrophobicContact CE1-CD1 3.39Å; F1046-I1050 HydrophobicContact CE1-CG1 4.35Å; F1046-I1050 HydrophobicContact CZ-CD1 4.27Å; F1046-I1050 WeakPolarHBondContact O-CG1 3.19Å; F1046-I1050 PolarHBondContact O-N 2.84Å; R1047-I1050 PolarHBondContact O-N 3.46Å; M1048-I1050 VanDerWaalsContact C-N 3.35Å; M1048-I1050 PolarHBondContact O-N 3.28Å; I1050-V1052 VanDerWaalsContact C-N 3.27Å; I1050-V1052 PolarHBondContact O-N 3.04Å; I1050-L1053 CarbonylContact O-C 3.53Å; I1050-L1053 WeakPolarHBondContact O-CA 3.4Å; I1050-L1053 WeakPolarHBondContact O-CB 3.42Å; I1050-L1053 PolarHBondContact O-N 2.82Å; I1050-T1054 HydrophobicContact CG2-CG2 4.09Å; I1050-T1054 WeakPolarHBondContact O-CG2 3.44Å; I1050-T1054 PolarHBondContact O-N 3.48Å; I1050-T1054 PolarHBondContact O-OG1 3.3Å; I1050-P1803 HydrophobicContact CG2-CB 4.12Å; I1050-P1803 HydrophobicContact CG2-CG 4.23Å |
| 1051 | T | 84.9 | Confident | 80.4 | Confident | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.018 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.3 | -40.1 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | R1047 M1048 L1053 T1054 I1055 A1786 L1801 P1803 A1806 | R1047-T1051 PolarHBondContact O-N 3.22Å; R1047-T1051 PolarHBondContact O-OG1 3.48Å; M1048-T1051 PolarHBondContact O-N 2.87Å; T1051-L1053 VanDerWaalsContact C-N 3.33Å; T1051-L1053 PolarHBondContact O-N 3.41Å; T1051-T1054 PolarHBondContact O-N 3.14Å; T1051-T1054 PolarHBondContact O-OG1 2.98Å; T1051-T1054 VanDerWaalsContact O-OG1 3.09Å; T1051-I1055 WeakPolarHBondContact O-CB 3.38Å; T1051-I1055 VanDerWaalsContact O-CG2 3.28Å; T1051-I1055 WeakPolarHBondContact O-CG2 3.47Å; T1051-I1055 PolarHBondContact O-N 3.04Å; T1051-A1786 HydrophobicContact CG2-CB 3.62Å; T1051-L1801 HydrophobicContact CG2-CB 4.15Å; T1051-L1801 HydrophobicContact CG2-CD2 3.87Å; T1051-L1801 HydrophobicContact CG2-CG 4.23Å; T1051-L1801 WeakPolarHBondContact CG2-O 3.12Å; T1051-L1801 PolarHBondContact OG1-O 2.79Å; T1051-P1803 WeakPolarHBondContact OG1-CG 3.1Å; T1051-A1806 HydrophobicContact CG2-CB 4.15Å |
| 1052 | V | 88 | Confident | 79.6 | Confident | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 173.3 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | V1009 V1013 M1048 I1050 A1056 V1783 A1786 A1787 | V1009-V1052 HydrophobicContact CG1-CG1 4.15Å; V1013-V1052 HydrophobicContact CG1-CG2 4.28Å; V1013-V1052 HydrophobicContact CG2-CG2 4.39Å; M1048-V1052 WeakPolarHBondContact O-CG2 3.46Å; M1048-V1052 PolarHBondContact O-N 3.2Å; I1050-V1052 VanDerWaalsContact C-N 3.27Å; I1050-V1052 PolarHBondContact O-N 3.04Å; V1052-A1056 WeakPolarHBondContact O-CB 3.34Å; V1052-A1056 PolarHBondContact O-N 3.13Å; V1052-V1783 HydrophobicContact CG1-CG1 4.49Å; V1052-A1786 HydrophobicContact CG2-CB 3.87Å; V1052-A1787 HydrophobicContact CG2-CB 3.93Å |
| 1053 | L | 85.1 | Confident | 79.1 | Confident | 8 Ų | 8 | 13.2 Ų | 13.2 | 4% | 0.042 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.2 | -33.8 | -179.5 | -160.2 | 73.9 | 0 | 0 | 0 | 112.4 | L790 I793 A794 I1006 A1049 I1050 T1051 | L790-L1053 HydrophobicContact CD1-CD1 3.45Å; L790-L1053 VanDerWaalsContact CD1-CD1 3.45Å; L790-L1053 HydrophobicContact CD1-CG 3.77Å; I793-L1053 HydrophobicContact CG2-CD2 3.96Å; A794-L1053 HydrophobicContact CB-CD2 3.8Å; A794-L1053 HydrophobicContact CB-CG 4.23Å; I1006-L1053 HydrophobicContact CG2-CD1 4.17Å; A1049-L1053 WeakPolarHBondContact O-CB 3.3Å; A1049-L1053 PolarHBondContact O-N 3.28Å; A1049-L1053 VanDerWaalsContact O-N 3.17Å; I1050-L1053 CarbonylContact O-C 3.53Å; I1050-L1053 WeakPolarHBondContact O-CA 3.4Å; I1050-L1053 WeakPolarHBondContact O-CB 3.42Å; I1050-L1053 PolarHBondContact O-N 2.82Å; T1051-L1053 VanDerWaalsContact C-N 3.33Å; T1051-L1053 PolarHBondContact O-N 3.41Å |
| 1054 | T | 80.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -80.7 | -46.1 | 179.8 | 59.5 | 0 | 0 | 0 | 0 | 113 | A794 L828 I1050 T1051 A1056 C1057 | A794-T1054 HydrophobicContact CB-CG2 4.02Å; L828-T1054 HydrophobicContact CD1-CG2 3.68Å; L828-T1054 HydrophobicContact CD2-CG2 3.82Å; L828-T1054 HydrophobicContact CG-CG2 4.3Å; I1050-T1054 HydrophobicContact CG2-CG2 4.09Å; I1050-T1054 WeakPolarHBondContact O-CG2 3.44Å; I1050-T1054 PolarHBondContact O-N 3.48Å; I1050-T1054 PolarHBondContact O-OG1 3.3Å; T1051-T1054 PolarHBondContact O-N 3.14Å; T1051-T1054 PolarHBondContact O-OG1 2.98Å; T1051-T1054 VanDerWaalsContact O-OG1 3.09Å; T1054-A1056 VanDerWaalsContact C-N 3.26Å; T1054-A1056 PolarHBondContact O-N 3.3Å; T1054-C1057 WeakPolarHBondContact O-CB 3.39Å; T1054-C1057 PolarHBondContact O-N 2.89Å |
| 1055 | I | 84.8 | Confident | 79 | Confident | 11 Ų | 11 | 10.9 Ų | 10.9 | 6% | 0.056 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.4 | -29.6 | -176.6 | -166.7 | 56.6 | 0 | 0 | 0 | 112.9 | T1051 C1057 V1783 A1786 A1806 A1809 | T1051-I1055 WeakPolarHBondContact O-CB 3.38Å; T1051-I1055 VanDerWaalsContact O-CG2 3.28Å; T1051-I1055 WeakPolarHBondContact O-CG2 3.47Å; T1051-I1055 PolarHBondContact O-N 3.04Å; I1055-C1057 PolarHBondContact O-N 3.24Å; I1055-V1783 HydrophobicContact CG2-CG2 3.91Å; I1055-A1786 HydrophobicContact CG2-CB 3.75Å; I1055-A1806 HydrophobicContact CB-CB 3.91Å; I1055-A1806 HydrophobicContact CD1-CB 3.98Å; I1055-A1806 HydrophobicContact CG1-CB 4.41Å; I1055-A1809 HydrophobicContact CD1-CB 4.05Å |
| 1056 | A | 81.3 | Confident | 78.3 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1002 I1006 V1052 T1054 P1058 N1779 V1783 | F1002-A1056 VanDerWaalsContact CE1-O 3.23Å; F1002-A1056 WeakPolarHBondContact CE1-O 3.22Å; I1006-A1056 HydrophobicContact CB-CB 4.27Å; I1006-A1056 HydrophobicContact CD1-CB 3.49Å; I1006-A1056 VanDerWaalsContact CD1-CB 3.49Å; I1006-A1056 HydrophobicContact CG1-CB 3.65Å; I1006-A1056 HydrophobicContact CG2-CB 3.56Å; V1052-A1056 WeakPolarHBondContact O-CB 3.34Å; V1052-A1056 PolarHBondContact O-N 3.13Å; T1054-A1056 VanDerWaalsContact C-N 3.26Å; T1054-A1056 PolarHBondContact O-N 3.3Å; A1056-P1058 WeakPolarHBondContact O-CD 3.42Å; A1056-N1779 VanDerWaalsContact C-ND2 3.28Å; A1056-N1779 PolarHBondContact O-ND2 3.27Å; A1056-V1783 HydrophobicContact CB-CG2 3.6Å |
| 1057 | C | 76.4 | Confident | 77.8 | Confident | 6 Ų | 6 | 10.7 Ų | 10.7 | 4% | 0.041 | 7% | 0.066 | C | C | . | . | trans | -57.9 | 114.5 | -175.9 | -96.2 | 0 | 0 | 0 | 0 | 114.2 | M787 T1054 I1055 C1059 N1779 M1810 | M787-C1057 HydrophobicContact CE-CB 3.38Å; T1054-C1057 WeakPolarHBondContact O-CB 3.39Å; T1054-C1057 PolarHBondContact O-N 2.89Å; I1055-C1057 PolarHBondContact O-N 3.24Å; C1057-C1059 VanDerWaalsContact C-N 3.3Å; C1057-C1059 PolarHBondContact O-N 3.3Å; C1057-N1779 PolarHBondContact O-ND2 2.66Å; C1057-M1810 HydrophobicContact CB-CE 3.65Å; C1057-M1810 HydrophobicContact CB-CG 4.05Å; C1057-M1810 HydrophobicContact CB-SD 3.36Å; C1057-M1810 WeakPolarHBondContact CB-SD 3.49Å | ||
| 1058 | P | 72.7 | Confident | 78 | Confident | 8 Ų | 8 | 7.9 Ų | 7.9 | 5% | 0.052 | 6% | 0.055 | C | C | . | . | trans | -83.6 | 36.7 | -170.1 | 35.2 | -39.2 | 0 | 0 | 0 | 115.6 | M787 F1002 A1056 A1060 L1061 | M787-P1058 HydrophobicContact SD-CG 3.98Å; F1002-P1058 HydrophobicContact CD1-CB 3.93Å; F1002-P1058 HydrophobicContact CD1-CG 3.98Å; F1002-P1058 HydrophobicContact CE1-CB 3.92Å; F1002-P1058 HydrophobicContact CE1-CG 4.28Å; A1056-P1058 WeakPolarHBondContact O-CD 3.42Å; P1058-A1060 PolarHBondContact O-N 2.93Å; P1058-L1061 HydrophobicContact CB-CB 4.17Å; P1058-L1061 HydrophobicContact CB-CD2 4.44Å; P1058-L1061 VanDerWaalsContact O-CB 3.28Å; P1058-L1061 WeakPolarHBondContact O-CB 3.46Å; P1058-L1061 PolarHBondContact O-N 3.4Å | ||
| 1059 | C | 70.2 | Confident | 77.7 | Confident | 14 Ų | 14 | 8.3 Ų | 8.3 | 10% | 0.095 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56 | -48.5 | -170 | -117.7 | 0 | 0 | 0 | 0 | 112.4 | M787 C1057 L1061 L1063 M1810 S1814 | M787-C1059 HydrophobicContact CE-CB 3.6Å; M787-C1059 VanDerWaalsContact CE-N 3.33Å; M787-C1059 WeakPolarHBondContact CE-SG 3.2Å; M787-C1059 WeakPolarHBondContact SD-CA 3.47Å; M787-C1059 HydrophobicContact SD-CB 3.99Å; M787-C1059 PolarHBondContact SD-N 2.94Å; M787-C1059 VanDerWaalsContact SD-SG 3.66Å; C1057-C1059 VanDerWaalsContact C-N 3.3Å; C1057-C1059 PolarHBondContact O-N 3.3Å; C1059-L1061 PolarHBondContact O-N 3.5Å; C1059-L1063 WeakPolarHBondContact O-CB 3.24Å; C1059-L1063 PolarHBondContact O-N 2.92Å; C1059-M1810 HydrophobicContact CB-CE 3.84Å; C1059-S1814 WeakPolarHBondContact CB-OG 3.45Å |
| 1060 | A | 74.2 | Confident | 77 | Confident | 3 Ų | 3 | 9 Ų | 9 | 3% | 0.025 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.4 | -26.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1058 A1064 A1775 S1813 V1817 | P1058-A1060 PolarHBondContact O-N 2.93Å; A1060-A1064 WeakPolarHBondContact O-CB 3.13Å; A1060-A1064 PolarHBondContact O-N 3.23Å; A1060-A1775 HydrophobicContact CB-CB 3.57Å; A1060-S1813 WeakPolarHBondContact CB-OG 3.17Å; A1060-V1817 HydrophobicContact CB-CG2 3.97Å |
| 1061 | L | 71.8 | Confident | 76.8 | Confident | 14 Ų | 14 | 9.2 Ų | 9.2 | 7% | 0.073 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -73.5 | -46.9 | -175.2 | -164.1 | 75.1 | 0 | 0 | 0 | 112.2 | I998 P1058 C1059 L1063 F1772 A1775 | I998-L1061 HydrophobicContact CB-CD2 4.42Å; I998-L1061 HydrophobicContact CG2-CD2 3.82Å; P1058-L1061 HydrophobicContact CB-CB 4.17Å; P1058-L1061 HydrophobicContact CB-CD2 4.44Å; P1058-L1061 VanDerWaalsContact O-CB 3.28Å; P1058-L1061 WeakPolarHBondContact O-CB 3.46Å; P1058-L1061 PolarHBondContact O-N 3.4Å; C1059-L1061 PolarHBondContact O-N 3.5Å; L1061-L1063 PolarHBondContact O-N 3.15Å; L1061-F1772 HydrophobicContact CD1-CD1 3.46Å; L1061-F1772 VanDerWaalsContact CD1-CD1 3.46Å; L1061-F1772 HydrophobicContact CD1-CE1 3.67Å; L1061-F1772 HydrophobicContact CD1-CG 4.29Å; L1061-F1772 HydrophobicContact CG-CD1 4.4Å; L1061-F1772 HydrophobicContact CG-CE1 4.13Å; L1061-A1775 HydrophobicContact CB-CB 4.4Å; L1061-A1775 HydrophobicContact CD1-CB 4.19Å |
| 1062 | G | 64.1 | Low | 76.8 | Confident | 35 Ų | 35 | 9 Ų | 9 | 36% | 0.361 | 6% | 0.061 | S | C | . | . | H | α-helix | trans | -68 | -24.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | P1066 | G1062-P1066 WeakPolarHBondContact O-CD 3.37Å; G1062-P1066 WeakPolarHBondContact O-CG 3.35Å |
| 1063 | L | 70.7 | Confident | 76.2 | Confident | 5 Ų | 5 | 10 Ų | 10 | 3% | 0.026 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -86.6 | -24.7 | -176 | -154.9 | 152.9 | 0 | 0 | 0 | 112.6 | E839 C1059 L1061 T1065 T1067 V1817 I1818 | E839-L1063 HydrophobicContact CB-CD1 3.8Å; E839-L1063 HydrophobicContact CG-CD1 3.65Å; E839-L1063 HydrophobicContact CG-CG 4Å; C1059-L1063 WeakPolarHBondContact O-CB 3.24Å; C1059-L1063 PolarHBondContact O-N 2.92Å; L1061-L1063 PolarHBondContact O-N 3.15Å; L1063-T1065 PolarHBondContact O-N 3Å; L1063-T1067 HydrophobicContact CD2-CG2 3.48Å; L1063-T1067 VanDerWaalsContact CD2-CG2 3.48Å; L1063-T1067 HydrophobicContact CG-CG2 4.28Å; L1063-T1067 PolarHBondContact O-N 3.2Å; L1063-T1067 PolarHBondContact O-OG1 3.27Å; L1063-V1817 HydrophobicContact CD2-CG1 4.26Å; L1063-I1818 HydrophobicContact CD1-CD1 4.45Å; L1063-I1818 HydrophobicContact CD2-CD1 4.08Å; L1063-I1818 HydrophobicContact CD2-CG1 3.51Å |
| 1064 | A | 75.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.7 | -41 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1060 N1771 F1772 V1817 | A1060-A1064 WeakPolarHBondContact O-CB 3.13Å; A1060-A1064 PolarHBondContact O-N 3.23Å; A1064-N1771 HydrophobicContact CB-CB 3.57Å; A1064-N1771 PolarHBondContact O-ND2 3.32Å; A1064-F1772 HydrophobicContact CB-CD2 4.13Å; A1064-F1772 HydrophobicContact CB-CE2 4.42Å; A1064-V1817 HydrophobicContact CB-CG1 4.14Å |
| 1065 | T | 75.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -80.7 | -57.3 | -178.6 | -41.8 | 0 | 0 | 0 | 0 | 113 | A989 V991 Q992 L1063 T1067 A1068 V1069 I1768 F1772 | A989-T1065 HydrophobicContact CB-CG2 3.95Å; V991-T1065 HydrophobicContact CB-CG2 4.37Å; V991-T1065 HydrophobicContact CG1-CG2 4.2Å; Q992-T1065 HydrophobicContact CB-CG2 4.09Å; L1063-T1065 PolarHBondContact O-N 3Å; T1065-T1067 PolarHBondContact O-N 3.49Å; T1065-A1068 PolarHBondContact O-N 3.32Å; T1065-V1069 HydrophobicContact CG2-CG2 4.26Å; T1065-V1069 WeakPolarHBondContact O-CG2 3.23Å; T1065-V1069 PolarHBondContact O-N 3.16Å; T1065-I1768 HydrophobicContact CG2-CD1 4.25Å; T1065-I1768 HydrophobicContact CG2-CG2 4.36Å; T1065-F1772 WeakPolarHBondContact OG1-CE2 3.5Å |
| 1066 | P | 69.4 | Low | 75.5 | Confident | 27 Ų | 27 | 10.7 Ų | 10.7 | 18% | 0.175 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.7 | -39.3 | -172.5 | 23.6 | -34.3 | 0 | 0 | 0 | 112.6 | G1062 A1068 V1069 M1070 | G1062-P1066 WeakPolarHBondContact O-CD 3.37Å; G1062-P1066 WeakPolarHBondContact O-CG 3.35Å; P1066-A1068 PolarHBondContact O-N 2.96Å; P1066-V1069 PolarHBondContact O-N 3.33Å; P1066-M1070 WeakPolarHBondContact O-CB 3.44Å; P1066-M1070 PolarHBondContact O-N 2.68Å |
| 1067 | T | 74.2 | Confident | 75.2 | Confident | 8 Ų | 8 | 11.7 Ų | 11.7 | 5% | 0.049 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 178 | 54.7 | 0 | 0 | 0 | 0 | 112.9 | A842 L1063 T1065 V1071 S1821 | A842-T1067 HydrophobicContact CB-CG2 4.34Å; L1063-T1067 HydrophobicContact CD2-CG2 3.48Å; L1063-T1067 VanDerWaalsContact CD2-CG2 3.48Å; L1063-T1067 HydrophobicContact CG-CG2 4.28Å; L1063-T1067 PolarHBondContact O-N 3.2Å; L1063-T1067 PolarHBondContact O-OG1 3.27Å; T1065-T1067 PolarHBondContact O-N 3.49Å; T1067-V1071 WeakPolarHBondContact O-CB 3.48Å; T1067-V1071 VanDerWaalsContact O-CG2 3.29Å; T1067-V1071 WeakPolarHBondContact O-CG2 3.44Å; T1067-V1071 PolarHBondContact O-N 2.8Å; T1067-S1821 PolarHBondContact OG1-OG 2.81Å |
| 1068 | A | 82.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70 | -40.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1065 P1066 A1072 T1764 I1768 S1821 L1824 | T1065-A1068 PolarHBondContact O-N 3.32Å; P1066-A1068 PolarHBondContact O-N 2.96Å; A1068-A1072 VanDerWaalsContact O-CB 3.22Å; A1068-A1072 WeakPolarHBondContact O-CB 3.46Å; A1068-A1072 PolarHBondContact O-N 3.42Å; A1068-A1072 VanDerWaalsContact O-N 3.12Å; A1068-T1764 HydrophobicContact CB-CG2 4.46Å; A1068-T1764 WeakPolarHBondContact O-CG2 2.91Å; A1068-I1768 HydrophobicContact CB-CD1 4.36Å; A1068-I1768 HydrophobicContact CB-CG1 3.53Å; A1068-S1821 PolarHBondContact N-OG 3.25Å; A1068-L1824 HydrophobicContact CB-CD1 4.13Å; A1068-L1824 WeakPolarHBondContact O-CD1 3.39Å |
| 1069 | V | 79.1 | Confident | 75.2 | Confident | 19 Ų | 19 | 17.9 Ų | 17.9 | 12% | 0.115 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.9 | -47 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | A989 T1065 P1066 A1072 T1073 I1768 | A989-V1069 HydrophobicContact CB-CG2 4.42Å; T1065-V1069 HydrophobicContact CG2-CG2 4.26Å; T1065-V1069 WeakPolarHBondContact O-CG2 3.23Å; T1065-V1069 PolarHBondContact O-N 3.16Å; P1066-V1069 PolarHBondContact O-N 3.33Å; V1069-A1072 CarbonylContact O-C 3.31Å; V1069-A1072 WeakPolarHBondContact O-CB 3.29Å; V1069-A1072 PolarHBondContact O-N 3.45Å; V1069-A1072 VanDerWaalsContact O-N 3.12Å; V1069-T1073 HydrophobicContact CG1-CG2 4.4Å; V1069-T1073 PolarHBondContact O-N 3.38Å; V1069-T1073 PolarHBondContact O-OG1 3.14Å; V1069-I1768 HydrophobicContact CG2-CD1 4Å |
| 1070 | M | 72.2 | Confident | 75.5 | Confident | 23 Ų | 23 | 17.4 Ų | 17.4 | 11% | 0.113 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -68.9 | -37.8 | -175.1 | -172.7 | -178.4 | -87.8 | 0 | 0 | 113.2 | I544 K843 T846 P1066 A1072 T1073 G1074 | I544-M1070 HydrophobicContact CD1-CE 3.72Å; K843-M1070 HydrophobicContact CB-CE 4.48Å; K843-M1070 HydrophobicContact CB-SD 3.88Å; K843-M1070 HydrophobicContact CG-CE 4.14Å; K843-M1070 HydrophobicContact CG-SD 3.72Å; T846-M1070 HydrophobicContact CG2-CG 4.02Å; T846-M1070 VanDerWaalsContact OG1-CG 3.22Å; T846-M1070 WeakPolarHBondContact OG1-CG 3.34Å; T846-M1070 PolarHBondContact OG1-SD 3.09Å; T846-M1070 VanDerWaalsContact OG1-SD 3.38Å; P1066-M1070 WeakPolarHBondContact O-CB 3.44Å; P1066-M1070 PolarHBondContact O-N 2.68Å; M1070-A1072 VanDerWaalsContact C-N 3.31Å; M1070-T1073 PolarHBondContact O-OG1 2.82Å; M1070-G1074 PolarHBondContact O-N 3.42Å; M1070-G1074 VanDerWaalsContact O-N 3.16Å |
| 1071 | V | 80.7 | Confident | 76 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.9 | -34.3 | 170.5 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | T846 T1067 T1075 L1824 K1825 | T846-V1071 HydrophobicContact CG2-CG2 4.36Å; T1067-V1071 WeakPolarHBondContact O-CB 3.48Å; T1067-V1071 VanDerWaalsContact O-CG2 3.29Å; T1067-V1071 WeakPolarHBondContact O-CG2 3.44Å; T1067-V1071 PolarHBondContact O-N 2.8Å; V1071-T1075 HydrophobicContact CG1-CG2 4.4Å; V1071-T1075 WeakPolarHBondContact O-CB 3.28Å; V1071-T1075 WeakPolarHBondContact O-CG2 2.97Å; V1071-T1075 PolarHBondContact O-N 3.45Å; V1071-T1075 PolarHBondContact O-OG1 3.18Å; V1071-L1824 HydrophobicContact CB-CB 4.41Å; V1071-L1824 HydrophobicContact CG1-CB 3.65Å; V1071-K1825 HydrophobicContact CG1-CG 3.74Å |
| 1072 | A | 84 | Confident | 76.2 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.6 | -41.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1068 V1069 M1070 T1075 G1076 L1089 L1760 T1764 | A1068-A1072 VanDerWaalsContact O-CB 3.22Å; A1068-A1072 WeakPolarHBondContact O-CB 3.46Å; A1068-A1072 PolarHBondContact O-N 3.42Å; A1068-A1072 VanDerWaalsContact O-N 3.12Å; V1069-A1072 CarbonylContact O-C 3.31Å; V1069-A1072 WeakPolarHBondContact O-CB 3.29Å; V1069-A1072 PolarHBondContact O-N 3.45Å; V1069-A1072 VanDerWaalsContact O-N 3.12Å; M1070-A1072 VanDerWaalsContact C-N 3.31Å; A1072-T1075 WeakPolarHBondContact CA-OG1 3.49Å; A1072-T1075 PolarHBondContact O-OG1 3.34Å; A1072-G1076 PolarHBondContact O-N 2.93Å; A1072-L1089 HydrophobicContact CB-CD1 4.08Å; A1072-L1760 HydrophobicContact CB-CD1 4.23Å; A1072-T1764 HydrophobicContact CB-CG2 3.63Å; A1072-T1764 WeakPolarHBondContact CB-OG1 3.22Å |
| 1073 | T | 76.5 | Confident | 76.9 | Confident | 20 Ų | 20 | 15.5 Ų | 15.5 | 12% | 0.123 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.7 | -40.4 | 175.5 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | V1069 M1070 G1076 A1077 L1089 | V1069-T1073 HydrophobicContact CG1-CG2 4.4Å; V1069-T1073 PolarHBondContact O-N 3.38Å; V1069-T1073 PolarHBondContact O-OG1 3.14Å; M1070-T1073 PolarHBondContact O-OG1 2.82Å; T1073-G1076 PolarHBondContact O-N 3.01Å; T1073-A1077 WeakPolarHBondContact O-CB 3.45Å; T1073-A1077 PolarHBondContact O-N 3.09Å; T1073-L1089 HydrophobicContact CG2-CD1 4.17Å |
| 1074 | G | 72.5 | Confident | 76.7 | Confident | 15 Ų | 15 | 16.5 Ų | 16.5 | 16% | 0.155 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1070 L1078 | M1070-G1074 PolarHBondContact O-N 3.42Å; M1070-G1074 VanDerWaalsContact O-N 3.16Å; G1074-L1078 WeakPolarHBondContact O-CG 3.49Å; G1074-L1078 PolarHBondContact O-N 3.34Å |
| 1075 | T | 80.6 | Confident | 76 | Confident | 20 Ų | 20 | 16.5 Ų | 16.5 | 12% | 0.123 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -75 | -29.1 | 175.9 | 50 | 0 | 0 | 0 | 0 | 113.3 | V1071 A1072 A1079 K1825 | V1071-T1075 HydrophobicContact CG1-CG2 4.4Å; V1071-T1075 WeakPolarHBondContact O-CB 3.28Å; V1071-T1075 WeakPolarHBondContact O-CG2 2.97Å; V1071-T1075 PolarHBondContact O-N 3.45Å; V1071-T1075 PolarHBondContact O-OG1 3.18Å; A1072-T1075 WeakPolarHBondContact CA-OG1 3.49Å; A1072-T1075 PolarHBondContact O-OG1 3.34Å; T1075-A1079 PolarHBondContact O-N 3.45Å; T1075-K1825 HydrophobicContact CG2-CG 4.23Å |
| 1076 | G | 82.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.4 | -48.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1072 T1073 L1078 A1079 G1080 I1081 | A1072-G1076 PolarHBondContact O-N 2.93Å; T1073-G1076 PolarHBondContact O-N 3.01Å; G1076-L1078 VanDerWaalsContact C-N 3.33Å; G1076-L1078 PolarHBondContact O-N 3.32Å; G1076-A1079 WeakPolarHBondContact O-CA 3.44Å; G1076-A1079 WeakPolarHBondContact O-CB 3.44Å; G1076-A1079 PolarHBondContact O-N 3.22Å; G1076-G1080 PolarHBondContact O-N 3.47Å; G1076-I1081 CarbonylContact C-O 3.45Å; G1076-I1081 WeakPolarHBondContact O-CA 3.38Å; G1076-I1081 WeakPolarHBondContact O-CB 3.44Å; G1076-I1081 PolarHBondContact O-N 2.97Å |
| 1077 | A | 73.5 | Confident | 75.7 | Confident | 22 Ų | 22 | 19.3 Ų | 19.3 | 18% | 0.182 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57 | -45.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1073 A1079 G1080 I1081 | T1073-A1077 WeakPolarHBondContact O-CB 3.45Å; T1073-A1077 PolarHBondContact O-N 3.09Å; A1077-A1079 PolarHBondContact O-N 3.39Å; A1077-A1079 VanDerWaalsContact O-N 3.15Å; A1077-G1080 PolarHBondContact O-N 2.99Å; A1077-I1081 PolarHBondContact N-O 2.9Å |
| 1078 | L | 72 | Confident | 76 | Confident | 130 Ų | 130 | 19.4 Ų | 19.4 | 68% | 0.681 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.6 | 175.1 | -68.4 | 171.4 | 0 | 0 | 0 | 114.4 | G1074 G1076 | G1074-L1078 WeakPolarHBondContact O-CG 3.49Å; G1074-L1078 PolarHBondContact O-N 3.34Å; G1076-L1078 VanDerWaalsContact C-N 3.33Å; G1076-L1078 PolarHBondContact O-N 3.32Å |
| 1079 | A | 77.7 | Confident | 76 | Confident | 14 Ų | 14 | 19.4 Ų | 19.4 | 12% | 0.116 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -13.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T1075 G1076 A1077 I1081 R1748 W1827 | T1075-A1079 PolarHBondContact O-N 3.45Å; G1076-A1079 WeakPolarHBondContact O-CA 3.44Å; G1076-A1079 WeakPolarHBondContact O-CB 3.44Å; G1076-A1079 PolarHBondContact O-N 3.22Å; A1077-A1079 PolarHBondContact O-N 3.39Å; A1077-A1079 VanDerWaalsContact O-N 3.15Å; A1079-I1081 HydrophobicContact CB-CG1 4.49Å; A1079-R1748 PolarHBondContact O-NE 3.36Å; A1079-R1748 PolarHBondContact O-NH2 3.45Å; A1079-R1748 VanDerWaalsContact O-NH2 3.16Å; A1079-W1827 HydrophobicContact CB-CZ3 3.94Å |
| 1080 | G | 76.6 | Confident | 76.1 | Confident | 3 Ų | 3 | 19.2 Ų | 19.2 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | 20.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G1076 A1077 I1747 | G1076-G1080 PolarHBondContact O-N 3.47Å; A1077-G1080 PolarHBondContact O-N 2.99Å; G1080-I1747 PolarHBondContact O-N 3.18Å |
| 1081 | I | 85.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 91.7 | -175.6 | -53.1 | 178.5 | 0 | 0 | 0 | 109.6 | G1076 A1077 A1079 I1083 V1744 L1746 D1753 A1757 W1827 | G1076-I1081 CarbonylContact C-O 3.45Å; G1076-I1081 WeakPolarHBondContact O-CA 3.38Å; G1076-I1081 WeakPolarHBondContact O-CB 3.44Å; G1076-I1081 PolarHBondContact O-N 2.97Å; A1077-I1081 PolarHBondContact N-O 2.9Å; A1079-I1081 HydrophobicContact CB-CG1 4.49Å; I1081-I1083 HydrophobicContact CG2-CD1 4.45Å; I1081-I1083 HydrophobicContact CG2-CG1 4.16Å; I1081-V1744 HydrophobicContact CG2-CG1 4.43Å; I1081-L1746 HydrophobicContact CB-CD2 4.26Å; I1081-L1746 HydrophobicContact CG1-CD2 4.17Å; I1081-L1746 HydrophobicContact CG2-CD2 3.78Å; I1081-D1753 HydrophobicContact CD1-CB 4.3Å; I1081-D1753 HydrophobicContact CG1-CB 4.14Å; I1081-A1757 HydrophobicContact CD1-CB 4.4Å; I1081-A1757 HydrophobicContact CG2-CB 3.71Å; I1081-W1827 HydrophobicContact CD1-CH2 4.24Å |
| 1082 | L | 76.3 | Confident | 77.1 | Confident | 7 Ų | 7 | 19 Ų | 19 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 138.4 | 168.4 | -89.6 | 73.2 | 0 | 0 | 0 | 109.8 | I977 L980 V981 V1744 V1745 I1747 | I977-L1082 HydrophobicContact CG2-CD1 4.49Å; I977-L1082 HydrophobicContact CG2-CD2 4.17Å; L980-L1082 HydrophobicContact CB-CD2 4.15Å; V981-L1082 HydrophobicContact CG2-CD2 3.71Å; V981-L1082 HydrophobicContact CG2-CG 3.94Å; L1082-V1744 WeakPolarHBondContact O-CA 3.15Å; L1082-V1744 WeakPolarHBondContact O-CG1 3.37Å; L1082-V1745 HydrophobicContact CB-CB 4.15Å; L1082-V1745 PolarHBondContact N-O 3.31Å; L1082-V1745 PolarHBondContact O-N 2.81Å; L1082-I1747 HydrophobicContact CD1-CD1 3.65Å; L1082-I1747 HydrophobicContact CD1-CG1 3.89Å |
| 1083 | I | 78.6 | Confident | 77.3 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.4 | 172.6 | -54.9 | 174.9 | 0 | 0 | 0 | 106.7 | A984 I1081 G1085 P1088 L1089 M1092 V1744 L1760 | A984-I1083 VanDerWaalsContact CB-O 3.26Å; A984-I1083 WeakPolarHBondContact CB-O 3.37Å; I1081-I1083 HydrophobicContact CG2-CD1 4.45Å; I1081-I1083 HydrophobicContact CG2-CG1 4.16Å; I1083-G1085 WeakPolarHBondContact CG2-O 3.44Å; I1083-G1085 PolarHBondContact O-N 3.18Å; I1083-P1088 HydrophobicContact CG2-CB 3.94Å; I1083-L1089 HydrophobicContact CD1-CD1 3.97Å; I1083-L1089 HydrophobicContact CD1-CG 4.13Å; I1083-L1089 HydrophobicContact CG2-CB 4.14Å; I1083-M1092 HydrophobicContact CD1-CE 4.07Å; I1083-M1092 HydrophobicContact CG1-CE 4.39Å; I1083-M1092 HydrophobicContact CG2-CE 4.47Å; I1083-V1744 HydrophobicContact CG1-CG1 4.4Å; I1083-V1744 HydrophobicContact CG2-CG2 4.41Å; I1083-L1760 HydrophobicContact CD1-CD2 4.37Å |
| 1084 | K | 65.6 | Low | 77.8 | Confident | 26 Ų | 26 | 23.4 Ų | 23.4 | 11% | 0.113 | 13% | 0.126 | C | C | . | . | trans | -73.8 | 29.3 | -176.6 | -58.3 | -169.5 | -168 | 174.9 | 0 | 114.4 | L980 V1739 E1740 A1742 D1743 | L980-K1084 HydrophobicContact CD2-CD 3.99Å; L980-K1084 VanDerWaalsContact CD2-CE 3.41Å; K1084-V1739 WeakPolarHBondContact CE-O 3.3Å; K1084-V1739 PolarHBondContact NZ-O 3.37Å; K1084-E1740 PolarHBondContact NZ-O 2.8Å; K1084-A1742 WeakPolarHBondContact CD-O 3.49Å; K1084-A1742 WeakPolarHBondContact CE-O 3.37Å; K1084-A1742 PolarHBondContact NZ-O 3.42Å; K1084-D1743 WeakPolarHBondContact CB-O 3.37Å; K1084-D1743 PolarHBondContact N-O 2.84Å | ||
| 1085 | G | 61.8 | Low | 78.7 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | 148.9 | 173.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | S987 I1083 L1089 | S987-G1085 WeakPolarHBondContact OG-CA 3.12Å; I1083-G1085 WeakPolarHBondContact CG2-O 3.44Å; I1083-G1085 PolarHBondContact O-N 3.18Å; G1085-L1089 WeakPolarHBondContact O-CB 3.34Å; G1085-L1089 PolarHBondContact O-N 3.11Å | ||
| 1086 | G | 68 | Low | 79.1 | Confident | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.2 | -31 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1090 | G1086-E1090 PolarHBondContact O-N 3.32Å; G1086-E1090 VanDerWaalsContact O-N 3.07Å |
| 1087 | Q | 71.2 | Confident | 79.5 | Confident | 84 Ų | 84 | 25.1 Ų | 25.1 | 39% | 0.393 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -71.4 | -47.2 | 179.8 | -176.5 | 136.1 | -34.6 | 0 | 0 | 113.1 | P990 L1089 E1090 N1091 | P990-Q1087 VanDerWaalsContact CD-OE1 3.26Å; P990-Q1087 HydrophobicContact CG-CG 4.26Å; P990-Q1087 VanDerWaalsContact CG-OE1 3.27Å; Q1087-L1089 VanDerWaalsContact C-N 3.3Å; Q1087-L1089 PolarHBondContact O-N 3.05Å; Q1087-E1090 WeakPolarHBondContact O-CB 3.33Å; Q1087-E1090 PolarHBondContact O-N 3.26Å; Q1087-N1091 PolarHBondContact O-N 2.84Å |
| 1088 | P | 79.2 | Confident | 80.5 | Confident | 9 Ų | 9 | 24 Ų | 24 | 6% | 0.058 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -52.8 | -46.1 | 167.4 | -32.1 | 38.4 | 0 | 0 | 0 | 113.5 | I1083 E1090 N1091 M1092 D1743 | I1083-P1088 HydrophobicContact CG2-CB 3.94Å; P1088-E1090 PolarHBondContact O-N 3Å; P1088-N1091 PolarHBondContact O-N 2.88Å; P1088-N1091 VanDerWaalsContact O-N 3.13Å; P1088-M1092 VanDerWaalsContact O-CB 3.3Å; P1088-M1092 WeakPolarHBondContact O-CB 3.38Å; P1088-M1092 PolarHBondContact O-N 2.94Å; P1088-D1743 HydrophobicContact CB-CB 3.78Å; P1088-D1743 HydrophobicContact CG-CB 3.7Å; P1088-D1743 WeakPolarHBondContact CG-OD1 3.33Å |
| 1089 | L | 82.2 | Confident | 81.5 | Confident | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.3 | -36.1 | -179.7 | -154.2 | 156.4 | 0 | 0 | 0 | 111.5 | A1072 T1073 I1083 G1085 Q1087 S1761 T1764 | A1072-L1089 HydrophobicContact CB-CD1 4.08Å; T1073-L1089 HydrophobicContact CG2-CD1 4.17Å; I1083-L1089 HydrophobicContact CD1-CD1 3.97Å; I1083-L1089 HydrophobicContact CD1-CG 4.13Å; I1083-L1089 HydrophobicContact CG2-CB 4.14Å; G1085-L1089 WeakPolarHBondContact O-CB 3.34Å; G1085-L1089 PolarHBondContact O-N 3.11Å; Q1087-L1089 VanDerWaalsContact C-N 3.3Å; Q1087-L1089 PolarHBondContact O-N 3.05Å; L1089-S1761 WeakPolarHBondContact O-CB 3.39Å; L1089-S1761 PolarHBondContact O-OG 2.9Å; L1089-T1764 HydrophobicContact CD2-CG2 3.64Å |
| 1090 | E | 82 | Confident | 82.2 | Confident | 14 Ų | 14 | 17.2 Ų | 17.2 | 7% | 0.065 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -75.2 | -39.1 | 173.1 | -101.1 | -157 | -115.2 | 0 | 0 | 115 | P990 V991 G1086 Q1087 P1088 M1092 H1093 K1094 V1765 | P990-E1090 WeakPolarHBondContact CD-OE1 3.41Å; P990-E1090 VanDerWaalsContact CG-OE1 3.31Å; P990-E1090 WeakPolarHBondContact CG-OE1 3.47Å; V991-E1090 WeakPolarHBondContact CB-OE1 3.06Å; V991-E1090 WeakPolarHBondContact CG2-OE1 3.46Å; V991-E1090 PolarHBondContact N-OE1 2.83Å; G1086-E1090 PolarHBondContact O-N 3.32Å; G1086-E1090 VanDerWaalsContact O-N 3.07Å; Q1087-E1090 WeakPolarHBondContact O-CB 3.33Å; Q1087-E1090 PolarHBondContact O-N 3.26Å; P1088-E1090 PolarHBondContact O-N 3Å; E1090-M1092 VanDerWaalsContact C-N 3.32Å; E1090-H1093 PolarHBondContact O-N 2.65Å; E1090-K1094 WeakPolarHBondContact O-CD 3.47Å; E1090-K1094 VanDerWaalsContact O-CE 3.22Å; E1090-K1094 WeakPolarHBondContact O-CE 3.43Å; E1090-K1094 WeakPolarHBondContact O-CG 3.39Å; E1090-K1094 IonicContact OE2-NZ 2.72Å; E1090-K1094 PolarHBondContact OE2-NZ 2.99Å; E1090-V1765 HydrophobicContact CG-CG2 4.26Å |
| 1091 | N | 85.3 | Confident | 82.8 | Confident | 26 Ų | 26 | 17.5 Ų | 17.5 | 14% | 0.139 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.3 | -38.1 | 176.9 | -76.9 | -4.8 | 0 | 0 | 0 | 111.1 | Q1087 P1088 H1093 K1094 L1095 D1726 V1727 | Q1087-N1091 PolarHBondContact O-N 2.84Å; P1088-N1091 PolarHBondContact O-N 2.88Å; P1088-N1091 VanDerWaalsContact O-N 3.13Å; N1091-H1093 PolarHBondContact O-N 3.26Å; N1091-K1094 WeakPolarHBondContact O-CA 3.44Å; N1091-K1094 WeakPolarHBondContact O-CB 3.36Å; N1091-K1094 PolarHBondContact O-N 2.96Å; N1091-L1095 PolarHBondContact O-N 3.23Å; N1091-D1726 WeakPolarHBondContact CB-O 3.35Å; N1091-D1726 PolarHBondContact ND2-O 3.48Å; N1091-V1727 HydrophobicContact CB-CG2 3.57Å |
| 1092 | M | 88.5 | Confident | 82.9 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.7 | -30.1 | 178.7 | -161.2 | -170.4 | -42.5 | 0 | 0 | 113.3 | I1083 P1088 E1090 K1094 L1095 V1727 V1744 A1757 I1758 | I1083-M1092 HydrophobicContact CD1-CE 4.07Å; I1083-M1092 HydrophobicContact CG1-CE 4.39Å; I1083-M1092 HydrophobicContact CG2-CE 4.47Å; P1088-M1092 VanDerWaalsContact O-CB 3.3Å; P1088-M1092 WeakPolarHBondContact O-CB 3.38Å; P1088-M1092 PolarHBondContact O-N 2.94Å; E1090-M1092 VanDerWaalsContact C-N 3.32Å; M1092-K1094 VanDerWaalsContact C-N 3.3Å; M1092-K1094 PolarHBondContact O-N 3.22Å; M1092-L1095 HydrophobicContact CB-CD1 4.33Å; M1092-L1095 HydrophobicContact CG-CD1 3.86Å; M1092-V1727 HydrophobicContact CB-CG2 4.21Å; M1092-V1744 HydrophobicContact CE-CG2 3.5Å; M1092-V1744 VanDerWaalsContact CE-CG2 3.5Å; M1092-A1757 HydrophobicContact CE-CB 4.34Å; M1092-A1757 HydrophobicContact SD-CB 3.64Å; M1092-I1758 HydrophobicContact CG-CG1 3.96Å; M1092-I1758 HydrophobicContact SD-CG1 4.22Å |
| 1093 | H | 87.4 | Confident | 83 | Confident | 48 Ų | 48 | 20.4 Ų | 20.4 | 22% | 0.222 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.1 | -29.5 | 172.9 | 169 | 82.2 | 0 | 0 | 0 | 112.3 | E1090 N1091 S1761 V1765 R1769 | E1090-H1093 PolarHBondContact O-N 2.65Å; N1091-H1093 PolarHBondContact O-N 3.26Å; H1093-S1761 WeakPolarHBondContact CA-OG 3.49Å; H1093-S1761 WeakPolarHBondContact CB-OG 3.32Å; H1093-S1761 PolarHBondContact N-OG 3.49Å; H1093-V1765 HydrophobicContact CB-CB 4.19Å; H1093-V1765 HydrophobicContact CB-CG1 4.48Å; H1093-V1765 HydrophobicContact CB-CG2 3.8Å; H1093-R1769 PolarHBondContact NE2-NH2 2.91Å |
| 1094 | K | 88.2 | Confident | 82.9 | Confident | 64 Ų | 64 | 20.4 Ų | 20.4 | 28% | 0.278 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -90.8 | -9.4 | -174.4 | -58 | 161.4 | -164.3 | 159.4 | 0 | 112.7 | E1090 N1091 M1092 T1096 Y1708 | E1090-K1094 WeakPolarHBondContact O-CD 3.47Å; E1090-K1094 VanDerWaalsContact O-CE 3.22Å; E1090-K1094 WeakPolarHBondContact O-CE 3.43Å; E1090-K1094 WeakPolarHBondContact O-CG 3.39Å; E1090-K1094 IonicContact OE2-NZ 2.72Å; E1090-K1094 PolarHBondContact OE2-NZ 2.99Å; N1091-K1094 WeakPolarHBondContact O-CA 3.44Å; N1091-K1094 WeakPolarHBondContact O-CB 3.36Å; N1091-K1094 PolarHBondContact O-N 2.96Å; M1092-K1094 VanDerWaalsContact C-N 3.3Å; M1092-K1094 PolarHBondContact O-N 3.22Å; K1094-T1096 PolarHBondContact O-N 3.07Å; K1094-Y1708 HydrophobicContact CB-CD1 4.14Å; K1094-Y1708 HydrophobicContact CB-CD2 3.79Å; K1094-Y1708 HydrophobicContact CB-CE1 4.31Å; K1094-Y1708 HydrophobicContact CB-CE2 3.97Å; K1094-Y1708 HydrophobicContact CB-CG 3.88Å; K1094-Y1708 HydrophobicContact CD-CE1 4.13Å; K1094-Y1708 HydrophobicContact CD-CE2 4.33Å |
| 1095 | L | 89.9 | Confident | 83.8 | Confident | 12 Ų | 12 | 19.1 Ų | 19.1 | 6% | 0.063 | 10% | 0.1 | C | C | . | . | trans | -52.7 | 128.5 | -175.5 | -75.2 | 172.9 | 0 | 0 | 0 | 113.7 | N1091 M1092 A1710 V1727 | N1091-L1095 PolarHBondContact O-N 3.23Å; M1092-L1095 HydrophobicContact CB-CD1 4.33Å; M1092-L1095 HydrophobicContact CG-CD1 3.86Å; L1095-A1710 HydrophobicContact CD1-CB 3.8Å; L1095-A1710 HydrophobicContact CD2-CB 3.62Å; L1095-A1710 HydrophobicContact CG-CB 4.38Å; L1095-V1727 HydrophobicContact CD1-CG2 4.39Å; L1095-V1727 HydrophobicContact CD2-CG2 4.26Å; L1095-V1727 HydrophobicContact CG-CG2 4.45Å | ||
| 1096 | T | 89.1 | Confident | 85.1 | Confident | 56 Ų | 56 | 19.2 Ų | 19.2 | 34% | 0.344 | 10% | 0.101 | S | C | . | . | trans | -109.7 | -25.3 | 175.8 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | K1094 R1468 Q1707 Y1708 | K1094-T1096 PolarHBondContact O-N 3.07Å; T1096-R1468 PolarHBondContact O-N 2.79Å; T1096-Q1707 WeakPolarHBondContact OG1-CB 3.27Å; T1096-Y1708 PolarHBondContact N-O 3.33Å; T1096-Y1708 PolarHBondContact OG1-N 3Å; T1096-Y1708 VanDerWaalsContact OG1-N 3.1Å; T1096-Y1708 PolarHBondContact OG1-O 3.04Å; T1096-Y1708 VanDerWaalsContact OG1-O 3.12Å | ||
| 1097 | T | 91.4 | Very high | 86 | Confident | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 135.9 | -172.8 | -52.4 | 0 | 0 | 0 | 0 | 109.8 | R1468 Q1707 Y1708 V1709 A1710 | T1097-R1468 CarbonylContact C-O 3.42Å; T1097-R1468 WeakPolarHBondContact CA-O 3.42Å; T1097-R1468 HydrophobicContact CG2-CB 4.36Å; T1097-Q1707 PolarHBondContact OG1-OE1 3.43Å; T1097-Y1708 PolarHBondContact N-O 2.67Å; T1097-Y1708 VanDerWaalsContact N-O 3.13Å; T1097-V1709 WeakPolarHBondContact O-CA 3.46Å; T1097-A1710 PolarHBondContact O-N 2.91Å |
| 1098 | I | 93.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.8 | 172.1 | -67.5 | 171.5 | 0 | 0 | 0 | 108.4 | F1100 L1462 I1467 R1468 V1469 A1470 A1710 I1712 I1758 | I1098-F1100 HydrophobicContact CG2-CD2 3.83Å; I1098-F1100 HydrophobicContact CG2-CE2 3.51Å; I1098-F1100 HydrophobicContact CG2-CZ 4Å; I1098-L1462 HydrophobicContact CD1-CD1 4.03Å; I1098-L1462 HydrophobicContact CD1-CD2 3.81Å; I1098-L1462 HydrophobicContact CD1-CG 4.49Å; I1098-I1467 HydrophobicContact CB-CG2 4.33Å; I1098-I1467 HydrophobicContact CD1-CD1 4.34Å; I1098-I1467 HydrophobicContact CD1-CG2 3.76Å; I1098-I1467 HydrophobicContact CG1-CG2 3.75Å; I1098-R1468 PolarHBondContact N-O 3.33Å; I1098-V1469 WeakPolarHBondContact O-CA 3.3Å; I1098-A1470 PolarHBondContact O-N 3.49Å; I1098-A1470 VanDerWaalsContact O-N 3.16Å; I1098-A1710 HydrophobicContact CG1-CB 4.25Å; I1098-I1712 HydrophobicContact CG2-CD1 3.42Å; I1098-I1712 VanDerWaalsContact CG2-CD1 3.42Å; I1098-I1712 HydrophobicContact CG2-CG1 3.98Å; I1098-I1758 HydrophobicContact CD1-CD1 3.69Å |
| 1099 | L | 92.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.3 | 169.3 | -64.7 | 158.1 | 0 | 0 | 0 | 108.3 | A1470 L1472 I1505 L1508 V1709 A1710 M1711 I1712 | L1099-A1470 WeakPolarHBondContact CA-O 3.49Å; L1099-A1470 HydrophobicContact CD2-CB 3.94Å; L1099-L1472 HydrophobicContact CB-CB 4.46Å; L1099-L1472 HydrophobicContact CD1-CD2 4.13Å; L1099-L1472 HydrophobicContact CD2-CB 4.19Å; L1099-L1472 HydrophobicContact CD2-CD2 4.49Å; L1099-I1505 HydrophobicContact CD1-CD1 4.34Å; L1099-I1505 HydrophobicContact CD1-CG1 3.51Å; L1099-L1508 HydrophobicContact CD1-CD1 3.9Å; L1099-L1508 HydrophobicContact CD2-CD1 3.99Å; L1099-L1508 HydrophobicContact CG-CD1 4.4Å; L1099-V1709 HydrophobicContact CD1-CG1 3.56Å; L1099-V1709 HydrophobicContact CG-CG1 4.27Å; L1099-A1710 PolarHBondContact N-O 3.48Å; L1099-M1711 HydrophobicContact CB-SD 3.75Å; L1099-M1711 CarbonylContact O-C 3.59Å; L1099-I1712 PolarHBondContact O-N 3.48Å |
| 1100 | F | 92.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 140.7 | 170.1 | -69.5 | -92.7 | 0 | 0 | 0 | 109.1 | I1098 T1105 I1106 I1459 L1462 V1469 A1470 L1472 I1712 L1751 | I1098-F1100 HydrophobicContact CG2-CD2 3.83Å; I1098-F1100 HydrophobicContact CG2-CE2 3.51Å; I1098-F1100 HydrophobicContact CG2-CZ 4Å; F1100-T1105 HydrophobicContact CB-CG2 4.23Å; F1100-T1105 HydrophobicContact CD1-CG2 3.82Å; F1100-I1106 HydrophobicContact CB-CD1 3.47Å; F1100-I1106 VanDerWaalsContact CB-CD1 3.47Å; F1100-I1106 HydrophobicContact CB-CG1 4.14Å; F1100-I1106 HydrophobicContact CD1-CD1 4.2Å; F1100-I1106 HydrophobicContact CD1-CG1 4.16Å; F1100-I1106 HydrophobicContact CD2-CD1 4.37Å; F1100-I1106 HydrophobicContact CG-CD1 3.8Å; F1100-I1106 HydrophobicContact CG-CG1 4.28Å; F1100-I1459 HydrophobicContact CD2-CD1 4.13Å; F1100-I1459 HydrophobicContact CE2-CD1 3.77Å; F1100-I1459 HydrophobicContact CZ-CD1 4.35Å; F1100-L1462 HydrophobicContact CE2-CD1 3.91Å; F1100-L1462 HydrophobicContact CZ-CD1 3.73Å; F1100-V1469 HydrophobicContact CD2-CG1 3.63Å; F1100-V1469 HydrophobicContact CE2-CG1 3.55Å; F1100-A1470 PolarHBondContact N-O 3.32Å; F1100-L1472 PolarHBondContact O-N 2.88Å; F1100-I1712 HydrophobicContact CD1-CB 3.9Å; F1100-I1712 HydrophobicContact CD1-CD1 3.87Å; F1100-I1712 HydrophobicContact CD1-CG1 4.39Å; F1100-I1712 HydrophobicContact CD1-CG2 3.97Å; F1100-I1712 HydrophobicContact CE1-CB 4.31Å; F1100-I1712 HydrophobicContact CE1-CD1 3.44Å; F1100-I1712 VanDerWaalsContact CE1-CD1 3.44Å; F1100-I1712 HydrophobicContact CE1-CG1 4.41Å; F1100-I1712 HydrophobicContact CE1-CG2 4.19Å; F1100-I1712 HydrophobicContact CE2-CD1 4.36Å; F1100-I1712 HydrophobicContact CG-CB 4.47Å; F1100-I1712 HydrophobicContact CG-CD1 4.49Å; F1100-I1712 HydrophobicContact CZ-CD1 3.73Å; F1100-L1751 HydrophobicContact CD1-CD2 4.3Å; F1100-L1751 HydrophobicContact CE1-CD2 3.77Å |
| 1101 | D | 89.8 | Confident | 85.6 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | trans | -69.7 | 163.3 | 152.6 | -162.7 | 80.1 | 0 | 0 | 0 | 110.3 | T1103 T1105 T1473 K1501 M1711 I1712 | D1101-T1103 PolarHBondContact OD2-N 2.94Å; D1101-T1105 WeakPolarHBondContact O-CG2 3.44Å; D1101-T1473 WeakPolarHBondContact OD1-CA 3.22Å; D1101-K1501 IonicContact OD1-NZ 2.67Å; D1101-K1501 PolarHBondContact OD1-NZ 3.07Å; D1101-M1711 HydrophobicContact CB-CE 4.21Å; D1101-I1712 PolarHBondContact N-O 3.26Å | ||
| 1102 | K | 86.8 | Confident | 85.3 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -83.4 | -53.3 | 177.2 | -166.8 | -165.7 | 66.8 | 154.2 | 0 | 111.6 | I1106 T1107 L1471 T1473 D1475 S1479 V1483 | K1102-I1106 PolarHBondContact O-N 2.94Å; K1102-T1107 HydrophobicContact CG-CG2 4.29Å; K1102-T1107 PolarHBondContact O-N 3.3Å; K1102-T1107 PolarHBondContact O-OG1 2.83Å; K1102-L1471 HydrophobicContact CB-CD1 4.08Å; K1102-L1471 HydrophobicContact CB-CD2 4.41Å; K1102-L1471 HydrophobicContact CG-CD2 4.45Å; K1102-T1473 HydrophobicContact CB-CG2 4.32Å; K1102-D1475 WeakPolarHBondContact CE-OD2 3.46Å; K1102-D1475 IonicContact NZ-OD2 2.96Å; K1102-D1475 PolarHBondContact NZ-OD2 3.44Å; K1102-S1479 PolarHBondContact NZ-OG 3.22Å; K1102-V1483 HydrophobicContact CD-CB 4.29Å; K1102-V1483 HydrophobicContact CD-CG1 4.36Å; K1102-V1483 HydrophobicContact CD-CG2 4.17Å; K1102-V1483 HydrophobicContact CG-CG1 4.11Å |
| 1103 | T | 79.7 | Confident | 85.1 | Confident | 58 Ų | 58 | 31.8 Ų | 31.8 | 36% | 0.356 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 121.7 | -157.1 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | D1101 T1105 T1107 | D1101-T1103 PolarHBondContact OD2-N 2.94Å; T1103-T1105 PolarHBondContact O-N 2.93Å; T1103-T1107 WeakPolarHBondContact CA-OG1 3.48Å |
| 1104 | G | 75.7 | Confident | 84.7 | Confident | 4 Ų | 4 | 32 Ų | 32 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | -33.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1107 K1452 D1714 | G1104-T1107 CarbonylContact C-O 3.6Å; G1104-T1107 VanDerWaalsContact C-O 3.31Å; G1104-T1107 WeakPolarHBondContact CA-O 3.33Å; G1104-T1107 PolarHBondContact N-OG1 2.59Å; G1104-T1107 VanDerWaalsContact N-OG1 3.08Å; G1104-T1107 VanDerWaalsContact O-O 3.1Å; G1104-K1452 WeakPolarHBondContact O-CE 3.22Å; G1104-K1452 PolarHBondContact O-NZ 3.4Å; G1104-D1714 WeakPolarHBondContact CA-OD2 3.34Å |
| 1105 | T | 85.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -57.2 | 174.3 | -79.8 | 0 | 0 | 0 | 0 | 113.4 | F1100 D1101 T1103 K1452 I1712 G1713 D1714 I1731 | F1100-T1105 HydrophobicContact CB-CG2 4.23Å; F1100-T1105 HydrophobicContact CD1-CG2 3.82Å; D1101-T1105 WeakPolarHBondContact O-CG2 3.44Å; T1103-T1105 PolarHBondContact O-N 2.93Å; T1105-K1452 PolarHBondContact O-NZ 3.07Å; T1105-I1712 HydrophobicContact CG2-CG2 3.95Å; T1105-G1713 VanDerWaalsContact OG1-CA 3.28Å; T1105-G1713 WeakPolarHBondContact OG1-CA 3.44Å; T1105-D1714 WeakPolarHBondContact CB-OD1 3.47Å; T1105-D1714 PolarHBondContact N-OD1 2.91Å; T1105-D1714 PolarHBondContact OG1-OD1 2.98Å; T1105-I1731 HydrophobicContact CG2-CD1 4.45Å |
| 1106 | I | 88.7 | Confident | 84.1 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -36 | 177.4 | -83.5 | 170.2 | 0 | 0 | 0 | 111.8 | F1100 K1102 I1451 K1452 L1471 V1483 I1487 I1489 | F1100-I1106 HydrophobicContact CB-CD1 3.47Å; F1100-I1106 VanDerWaalsContact CB-CD1 3.47Å; F1100-I1106 HydrophobicContact CB-CG1 4.14Å; F1100-I1106 HydrophobicContact CD1-CD1 4.2Å; F1100-I1106 HydrophobicContact CD1-CG1 4.16Å; F1100-I1106 HydrophobicContact CD2-CD1 4.37Å; F1100-I1106 HydrophobicContact CG-CD1 3.8Å; F1100-I1106 HydrophobicContact CG-CG1 4.28Å; K1102-I1106 PolarHBondContact O-N 2.94Å; I1106-I1451 HydrophobicContact CG2-CG2 4.2Å; I1106-K1452 WeakPolarHBondContact O-CB 3.38Å; I1106-K1452 WeakPolarHBondContact O-CG 3.21Å; I1106-K1452 PolarHBondContact O-N 2.92Å; I1106-L1471 HydrophobicContact CD1-CD1 3.75Å; I1106-V1483 HydrophobicContact CG2-CG1 4.2Å; I1106-I1487 HydrophobicContact CD1-CD1 3.95Å; I1106-I1487 HydrophobicContact CG2-CD1 3.83Å; I1106-I1489 HydrophobicContact CD1-CD1 4.29Å |
| 1107 | T | 85.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -89.2 | 173.5 | 172 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | K1102 T1103 G1104 G1109 D1449 P1450 K1452 | K1102-T1107 HydrophobicContact CG-CG2 4.29Å; K1102-T1107 PolarHBondContact O-N 3.3Å; K1102-T1107 PolarHBondContact O-OG1 2.83Å; T1103-T1107 WeakPolarHBondContact CA-OG1 3.48Å; G1104-T1107 CarbonylContact C-O 3.6Å; G1104-T1107 VanDerWaalsContact C-O 3.31Å; G1104-T1107 WeakPolarHBondContact CA-O 3.33Å; G1104-T1107 PolarHBondContact N-OG1 2.59Å; G1104-T1107 VanDerWaalsContact N-OG1 3.08Å; G1104-T1107 VanDerWaalsContact O-O 3.1Å; T1107-G1109 PolarHBondContact O-N 2.86Å; T1107-D1449 VanDerWaalsContact CB-CG 3.41Å; T1107-D1449 WeakPolarHBondContact CB-OD2 3.32Å; T1107-D1449 HydrophobicContact CG2-CB 4.45Å; T1107-D1449 WeakPolarHBondContact CG2-O 3.24Å; T1107-D1449 VanDerWaalsContact OG1-CG 3.27Å; T1107-D1449 PolarHBondContact OG1-OD2 3.44Å; T1107-P1450 CarbonylContact C-O 3.54Å; T1107-P1450 VanDerWaalsContact CA-O 3.23Å; T1107-P1450 WeakPolarHBondContact CA-O 3.34Å; T1107-P1450 WeakPolarHBondContact CB-O 3.36Å; T1107-K1452 WeakPolarHBondContact O-CE 3.19Å |
| 1108 | Q | 80.9 | Confident | 83.4 | Confident | 75 Ų | 75 | 28 Ų | 28 | 35% | 0.35 | 14% | 0.142 | S | C | . | . | trans | -73.6 | -11.7 | 177.2 | -65.6 | -177.4 | 18.5 | 0 | 0 | 113.7 | R1110 D1449 P1450 | Q1108-R1110 PolarHBondContact O-N 3.26Å; Q1108-D1449 PolarHBondContact N-OD1 3.38Å; Q1108-P1450 HydrophobicContact CB-CG 4.26Å; Q1108-P1450 HydrophobicContact CG-CG 4.11Å; Q1108-P1450 PolarHBondContact N-O 3.43Å | ||
| 1109 | G | 75.7 | Confident | 82.7 | Confident | 37 Ų | 37 | 28.5 Ų | 28.5 | 38% | 0.381 | 14% | 0.144 | S | C | . | . | S | Bend | trans | 71.1 | 19.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1107 D1449 | T1107-G1109 PolarHBondContact O-N 2.86Å; G1109-D1449 VanDerWaalsContact CA-OD2 3.27Å; G1109-D1449 WeakPolarHBondContact CA-OD2 3.46Å; G1109-D1449 PolarHBondContact N-OD1 3.44Å; G1109-D1449 PolarHBondContact N-OD2 3.45Å; G1109-D1449 VanDerWaalsContact N-OD2 3.17Å |
| 1110 | R | 74 | Confident | 81.7 | Confident | 179 Ų | 179 | 29.6 Ų | 29.6 | 68% | 0.675 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -142.6 | 99.7 | -169.5 | -68.6 | -177.7 | -179.9 | 176.5 | 0.4 | 109.6 | Q1108 D1449 P1450 | Q1108-R1110 PolarHBondContact O-N 3.26Å; R1110-D1449 PolarHBondContact N-OD1 2.97Å; R1110-P1450 WeakPolarHBondContact O-CD 3.5Å |
| 1111 | P | 76.5 | Confident | 80.4 | Confident | 41 Ų | 41 | 31.4 Ų | 31.4 | 27% | 0.266 | 16% | 0.161 | S | C | . | . | trans | -62.6 | 141.1 | -178.7 | 25.6 | -33.5 | 0 | 0 | 0 | 111.7 | P1176 A1180 I1447 S1448 | P1111-P1176 HydrophobicContact CG-CB 3.76Å; P1111-A1180 VanDerWaalsContact O-CB 3.23Å; P1111-A1180 WeakPolarHBondContact O-CB 3.23Å; P1111-I1447 HydrophobicContact CB-CG2 3.8Å; P1111-S1448 WeakPolarHBondContact CA-O 3.26Å | ||
| 1112 | Q | 79.3 | Confident | 78.7 | Confident | 64 Ų | 64 | 33.9 Ų | 33.9 | 30% | 0.299 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147.9 | 180 | -65.7 | 173.5 | 28.3 | 0 | 0 | 109.4 | I1114 I1447 S1448 P1450 | Q1112-I1114 PolarHBondContact O-N 2.85Å; Q1112-I1447 WeakPolarHBondContact O-CA 3.32Å; Q1112-I1447 WeakPolarHBondContact O-CG2 3.46Å; Q1112-S1448 PolarHBondContact N-O 2.72Å; Q1112-S1448 PolarHBondContact O-N 3.38Å; Q1112-S1448 VanDerWaalsContact O-N 3.13Å; Q1112-P1450 HydrophobicContact CG-CG 4.47Å |
| 1113 | V | 83.5 | Confident | 76.9 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 122.4 | 170.9 | -173 | 0 | 0 | 0 | 0 | 107.9 | I1116 L1181 I1184 M1264 V1445 T1446 I1447 | V1113-I1116 HydrophobicContact CG1-CD1 4.32Å; V1113-I1116 HydrophobicContact CG1-CG1 3.79Å; V1113-L1181 HydrophobicContact CG2-CD2 3.99Å; V1113-L1181 HydrophobicContact CG2-CG 4.1Å; V1113-I1184 HydrophobicContact CB-CD1 3.49Å; V1113-I1184 VanDerWaalsContact CB-CD1 3.49Å; V1113-I1184 HydrophobicContact CG2-CD1 3.81Å; V1113-M1264 HydrophobicContact CG1-CG 4.37Å; V1113-M1264 HydrophobicContact CG1-SD 4.14Å; V1113-V1445 HydrophobicContact CB-CG1 4.37Å; V1113-V1445 HydrophobicContact CG1-CG1 3.61Å; V1113-V1445 HydrophobicContact CG2-CG1 3.79Å; V1113-T1446 CarbonylContact C-O 3.55Å; V1113-T1446 WeakPolarHBondContact CA-O 3.47Å; V1113-T1446 WeakPolarHBondContact CG1-O 3.28Å; V1113-I1447 HydrophobicContact CG2-CD1 4.34Å; V1113-I1447 HydrophobicContact CG2-CG1 4.03Å |
| 1114 | I | 80.2 | Confident | 75 | Confident | 53 Ų | 53 | 41 Ų | 41 | 27% | 0.272 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -30.6 | -177.7 | -60.7 | 169.9 | 0 | 0 | 0 | 110.5 | Q1112 M1264 K1265 T1446 S1448 | Q1112-I1114 PolarHBondContact O-N 2.85Å; I1114-M1264 WeakPolarHBondContact O-CA 3.35Å; I1114-K1265 PolarHBondContact O-N 3.07Å; I1114-T1446 PolarHBondContact N-O 3.11Å; I1114-S1448 WeakPolarHBondContact CD1-OG 3.47Å |
| 1115 | R | 83 | Confident | 73.2 | Confident | 45 Ų | 45 | 48.5 Ų | 48.5 | 17% | 0.17 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 140.6 | -177.7 | 177 | -171.7 | -179.4 | -158.2 | 0.1 | 111.4 | V1117 K1265 T1267 D1425 T1446 | R1115-V1117 HydrophobicContact CG-CG2 4.34Å; R1115-K1265 WeakPolarHBondContact CA-O 3.37Å; R1115-K1265 WeakPolarHBondContact CG-O 3.33Å; R1115-T1267 PolarHBondContact NE-OG1 2.7Å; R1115-D1425 WeakPolarHBondContact CD-OD2 3.5Å; R1115-D1425 IonicContact CZ-OD2 2.72Å; R1115-D1425 IonicContact NE-OD2 2.64Å; R1115-D1425 IonicContact NH1-OD1 3.13Å; R1115-D1425 PolarHBondContact NH1-OD1 3.41Å; R1115-D1425 VanDerWaalsContact NH1-OD1 3.16Å; R1115-D1425 IonicContact NH1-OD2 2.69Å; R1115-D1425 PolarHBondContact NH1-OD2 2.9Å; R1115-T1446 PolarHBondContact N-O 3.46Å; R1115-T1446 WeakPolarHBondContact O-CB 3.3Å; R1115-T1446 PolarHBondContact O-N 3.48Å |
| 1116 | I | 82.3 | Confident | 70.5 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.6 | 166.7 | -66.9 | -179.4 | 0 | 0 | 0 | 108.4 | V1113 M1118 F1162 L1163 M1264 K1265 L1266 T1267 L1444 V1445 | V1113-I1116 HydrophobicContact CG1-CD1 4.32Å; V1113-I1116 HydrophobicContact CG1-CG1 3.79Å; I1116-M1118 HydrophobicContact CG2-CG 4.28Å; I1116-F1162 HydrophobicContact CG2-CD1 4.35Å; I1116-F1162 HydrophobicContact CG2-CE1 3.7Å; I1116-L1163 HydrophobicContact CD1-CD2 3.82Å; I1116-L1163 HydrophobicContact CD1-CG 4.36Å; I1116-M1264 HydrophobicContact CB-CE 4.18Å; I1116-M1264 HydrophobicContact CB-SD 4.46Å; I1116-M1264 HydrophobicContact CD1-CE 3.91Å; I1116-M1264 HydrophobicContact CD1-SD 3.6Å; I1116-M1264 VanDerWaalsContact CD1-SD 3.6Å; I1116-M1264 HydrophobicContact CG1-CE 4.05Å; I1116-M1264 HydrophobicContact CG1-SD 3.73Å; I1116-K1265 PolarHBondContact N-O 3.32Å; I1116-L1266 HydrophobicContact CB-CD1 3.9Å; I1116-L1266 HydrophobicContact CG2-CD1 3.86Å; I1116-L1266 CarbonylContact O-C 3.59Å; I1116-T1267 PolarHBondContact O-N 3.06Å; I1116-T1267 PolarHBondContact O-OG1 3.47Å; I1116-L1444 WeakPolarHBondContact CA-O 3.47Å; I1116-V1445 HydrophobicContact CG1-CG2 4.48Å |
| 1117 | V | 83.7 | Confident | 67.9 | Low | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.3 | 171.7 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | R1115 F1119 T1267 V1269 L1421 G1443 L1444 | R1115-V1117 HydrophobicContact CG-CG2 4.34Å; V1117-F1119 HydrophobicContact CG1-CE1 4.49Å; V1117-F1119 HydrophobicContact CG1-CZ 4.44Å; V1117-T1267 CarbonylContact C-O 3.58Å; V1117-T1267 WeakPolarHBondContact CA-O 3.22Å; V1117-V1269 HydrophobicContact CG1-CG2 3.72Å; V1117-L1421 HydrophobicContact CG1-CD2 4.12Å; V1117-L1421 HydrophobicContact CG2-CD2 4.41Å; V1117-G1443 CarbonylContact O-C 3.53Å; V1117-G1443 WeakPolarHBondContact O-CA 3.39Å; V1117-L1444 HydrophobicContact CB-CB 4.19Å; V1117-L1444 HydrophobicContact CG2-CB 4.49Å; V1117-L1444 PolarHBondContact N-O 2.95Å; V1117-L1444 PolarHBondContact O-N 3.43Å |
| 1118 | M | 80.8 | Confident | 65.2 | Low | 4 Ų | 4 | 73.4 Ų | 73.4 | 2% | 0.02 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.6 | 167.9 | -58.8 | -152.9 | -31 | 0 | 0 | 111.7 | I1116 P1159 F1162 T1267 Y1268 V1269 | I1116-M1118 HydrophobicContact CG2-CG 4.28Å; M1118-P1159 HydrophobicContact CE-CB 4.17Å; M1118-P1159 HydrophobicContact CE-CG 3.85Å; M1118-P1159 HydrophobicContact SD-CB 4.13Å; M1118-P1159 HydrophobicContact SD-CG 4.45Å; M1118-F1162 HydrophobicContact CG-CD1 4.24Å; M1118-F1162 HydrophobicContact CG-CE1 4.21Å; M1118-F1162 HydrophobicContact CG-CZ 4.48Å; M1118-F1162 HydrophobicContact SD-CB 3.72Å; M1118-F1162 HydrophobicContact SD-CD1 3.66Å; M1118-F1162 HydrophobicContact SD-CD2 4.06Å; M1118-F1162 HydrophobicContact SD-CE1 4.22Å; M1118-F1162 HydrophobicContact SD-CG 3.56Å; M1118-F1162 VanDerWaalsContact SD-CG 3.56Å; M1118-T1267 PolarHBondContact N-O 2.81Å; M1118-Y1268 HydrophobicContact CB-CD1 4.33Å; M1118-Y1268 HydrophobicContact CE-CE1 4.25Å; M1118-V1269 PolarHBondContact O-N 2.97Å |
| 1119 | F | 80.1 | Confident | 62.7 | Low | 9 Ų | 9 | 74.6 Ų | 74.6 | 4% | 0.039 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129 | 178.1 | -68.6 | -60 | 0 | 0 | 0 | 109.8 | V1117 V1269 C1271 W1273 P1391 I1393 L1418 L1441 V1442 L1444 | V1117-F1119 HydrophobicContact CG1-CE1 4.49Å; V1117-F1119 HydrophobicContact CG1-CZ 4.44Å; F1119-V1269 WeakPolarHBondContact CA-O 3.44Å; F1119-V1269 HydrophobicContact CD1-CB 3.94Å; F1119-V1269 HydrophobicContact CD1-CG1 4.14Å; F1119-V1269 HydrophobicContact CE1-CB 4.01Å; F1119-V1269 HydrophobicContact CE1-CG1 4.05Å; F1119-C1271 VanDerWaalsContact CB-SG 3.57Å; F1119-W1273 HydrophobicContact CB-CH2 4.17Å; F1119-W1273 HydrophobicContact CB-CZ2 3.67Å; F1119-P1391 HydrophobicContact CD1-CG 4.09Å; F1119-P1391 HydrophobicContact CD2-CG 3.96Å; F1119-P1391 HydrophobicContact CE1-CG 4.32Å; F1119-P1391 HydrophobicContact CE2-CG 4.19Å; F1119-P1391 HydrophobicContact CG-CB 4.47Å; F1119-P1391 HydrophobicContact CG-CG 3.93Å; F1119-P1391 HydrophobicContact CZ-CG 4.38Å; F1119-I1393 HydrophobicContact CE1-CD1 4.22Å; F1119-I1393 HydrophobicContact CE1-CG1 4.28Å; F1119-L1418 HydrophobicContact CE1-CD1 4.43Å; F1119-L1418 HydrophobicContact CE2-CD1 4.07Å; F1119-L1418 HydrophobicContact CZ-CD1 3.52Å; F1119-L1441 HydrophobicContact CD2-CD2 4.36Å; F1119-L1441 HydrophobicContact CD2-CG 4.38Å; F1119-L1441 HydrophobicContact CE2-CD2 3.87Å; F1119-L1441 HydrophobicContact CE2-CG 4.28Å; F1119-V1442 PolarHBondContact N-O 2.81Å; F1119-L1444 HydrophobicContact CE2-CG 4.15Å; F1119-L1444 HydrophobicContact CZ-CD1 4.26Å; F1119-L1444 HydrophobicContact CZ-CG 4.38Å |
| 1120 | I | 70.8 | Confident | 60.5 | Low | 24 Ų | 24 | 78.6 Ų | 78.6 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.1 | -173.1 | -52.2 | -175.9 | 0 | 0 | 0 | 110.2 | Y1268 V1269 S1270 C1271 W1364 | I1120-Y1268 HydrophobicContact CD1-CD1 3.49Å; I1120-Y1268 VanDerWaalsContact CD1-CD1 3.49Å; I1120-Y1268 HydrophobicContact CD1-CE1 4.08Å; I1120-Y1268 HydrophobicContact CD1-CG 4.04Å; I1120-Y1268 HydrophobicContact CG1-CD1 4.42Å; I1120-V1269 PolarHBondContact N-O 2.9Å; I1120-S1270 VanDerWaalsContact O-CA 3.29Å; I1120-S1270 WeakPolarHBondContact O-CA 3.18Å; I1120-C1271 PolarHBondContact O-N 3.43Å; I1120-W1364 HydrophobicContact CD1-CH2 4.38Å |
| 1121 | P | 65.2 | Low | 58.3 | Low | 39 Ų | 39 | 79 Ų | 79 | 25% | 0.253 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 157.5 | 171.1 | 28.4 | -35.4 | 0 | 0 | 0 | 112.5 | C1271 W1273 | P1121-C1271 WeakPolarHBondContact CA-O 3.48Å; P1121-W1273 HydrophobicContact CB-CZ3 4.13Å; P1121-W1273 HydrophobicContact CG-CZ3 4.47Å |
| 1122 | P | 54 | Low | 56 | Low | 59 Ų | 59 | 82.9 Ų | 82.9 | 38% | 0.383 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 157.9 | 164.3 | 30.2 | -34.7 | 0 | 0 | 0 | 111.4 | L1394 | P1122-L1394 HydrophobicContact CG-CD1 4.06Š|
| 1123 | N | 49.7 | Very low | 53.4 | Low | 90 Ų | 90 | 87.2 Ų | 87.2 | 48% | 0.481 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 126.2 | 179.5 | -72.8 | -20.4 | 0 | 0 | 0 | 111.8 | E1125 | N1123-E1125 VanDerWaalsContact C-N 3.28Å; N1123-E1125 PolarHBondContact O-N 3.02Å |
| 1124 | D | 38.7 | Very low | 50.8 | Low | 129 Ų | 129 | 96.9 Ų | 96.9 | 69% | 0.69 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -74.5 | -2 | -177.5 | -75.9 | -6.8 | 0 | 0 | 0 | 115 | M1126 | D1124-M1126 PolarHBondContact O-N 3.28Å; D1124-M1126 VanDerWaalsContact O-N 3.14Å |
| 1125 | E | 37.8 | Very low | 48.4 | Very low | 161 Ų | 161 | 101.6 Ų | 101.6 | 75% | 0.752 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -74.7 | -5.3 | -166.3 | -62.3 | -161.4 | 132.9 | 0 | 0 | 115.4 | N1123 | N1123-E1125 VanDerWaalsContact C-N 3.28Å; N1123-E1125 PolarHBondContact O-N 3.02Å |
| 1126 | M | 30.7 | Very low | 45.6 | Very low | 156 Ų | 156 | 111 Ų | 111 | 77% | 0.768 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -82.4 | -13.4 | -176.1 | -150.2 | 170.9 | 71.3 | 0 | 0 | 114.7 | D1124 | D1124-M1126 PolarHBondContact O-N 3.28Å; D1124-M1126 VanDerWaalsContact O-N 3.14Å |
| 1127 | E | 32.5 | Very low | 42.8 | Very low | 174 Ų | 174 | 115.8 Ų | 115.8 | 81% | 0.813 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -91.2 | -6.5 | -175.9 | -75.2 | -168.8 | 149.2 | 0 | 0 | 115.6 | ||
| 1128 | K | 30.1 | Very low | 40 | Very low | 195 Ų | 195 | 120.3 Ų | 120.3 | 85% | 0.848 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -102.6 | 5.5 | -169.7 | -79.7 | -175.5 | 175.8 | 175.9 | 0 | 116.8 | ||
| 1129 | S | 28.7 | Very low | 37.4 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 70% | 0.699 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -102.6 | -5 | -174.2 | 54.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1130 | T | 28.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 74% | 0.742 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -107.3 | -12.7 | -171.2 | 26.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1131 | E | 27.5 | Very low | 32.4 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 88% | 0.879 | 73% | 0.726 | S | S | * | * | trans | -107.6 | 68.8 | 179.6 | -69.2 | -153 | 133.9 | 0 | 0 | 113.8 | ||||
| 1132 | V | 27.8 | Very low | 30.4 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | trans | -130.8 | 68.6 | 167.2 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1133 | N | 24.8 | Very low | 29 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -175.1 | 91.3 | 151.5 | -101 | -39.4 | 0 | 0 | 0 | 113.9 | ||||
| 1134 | K | 30.8 | Very low | 27.6 | Very low | 209 Ų | 209 | 148.2 Ų | 148.2 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | -170.4 | 95.1 | 143.5 | -105.4 | 156.9 | -172.3 | 175.5 | 0 | 112.7 | ||||
| 1135 | N | 29.1 | Very low | 27 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | 21.3 | 128.6 | 153 | -60 | -13.6 | 0 | 0 | 0 | 122.4 | ||||
| 1136 | R | 23.6 | Very low | 26.3 | Very low | 243 Ų | 243 | 147.9 Ų | 147.9 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -24.5 | 149.8 | 146.3 | -55.8 | 164.3 | 178.3 | 163.5 | -2.6 | 113.7 | ||||
| 1137 | S | 24.9 | Very low | 25.9 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | -170.6 | 159.1 | 51.3 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1138 | S | 23.6 | Very low | 25.6 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 24 | 139.9 | 148.1 | 55.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1139 | D | 25.6 | Very low | 25.3 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -159.2 | 167.2 | 25.6 | -130.6 | -36.5 | 0 | 0 | 0 | 116.2 | ||||
| 1140 | Q | 22.6 | Very low | 25.1 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -2.3 | 124.7 | 167.1 | -69.4 | 154.4 | 69.9 | 0 | 0 | 122.1 | ||||
| 1141 | S | 23.3 | Very low | 25.1 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | -178.6 | 158.2 | 102.2 | 43.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 1142 | S | 23.6 | Very low | 25.4 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -118.3 | 156.2 | 179.9 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1143 | P | 24.8 | Very low | 25.8 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | -148.9 | -176.2 | 93.1 | 41.5 | -25.7 | 0 | 0 | 0 | 115.5 | |||||
| 1144 | L | 21.5 | Very low | 26.8 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | trans | 71.1 | 97.7 | 166.4 | -64 | 170.6 | 0 | 0 | 0 | 117.7 | I1146 | L1144-I1146 PolarHBondContact O-N 3.4Š| ||
| 1145 | S | 24.5 | Very low | 27.4 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | -70.6 | 113.3 | 163.9 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1146 | I | 23.8 | Very low | 28.5 | Very low | 161 Ų | 161 | 124.1 Ų | 124.1 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | trans | -98.6 | 114.7 | 155.7 | -66.5 | 175.9 | 0 | 0 | 0 | 107.2 | L1144 S1148 | L1144-I1146 PolarHBondContact O-N 3.4Å; I1146-S1148 PolarHBondContact O-N 3.17Å; I1146-S1148 VanDerWaalsContact O-N 3.09Å | ||
| 1147 | S | 22.7 | Very low | 30.4 | Very low | 99 Ų | 99 | 113.1 Ų | 113.1 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | trans | -68.2 | 106.2 | 177.3 | 38.7 | 0 | 0 | 0 | 0 | 110.1 | Y1149 | S1147-Y1149 PolarHBondContact O-N 3.02Š| ||
| 1148 | S | 26 | Very low | 32.3 | Very low | 112 Ų | 112 | 109.8 Ų | 109.8 | 78% | 0.783 | 62% | 0.624 | S | S | * | * | trans | -61.4 | 97.8 | 175 | 56.3 | 0 | 0 | 0 | 0 | 110 | I1146 K1150 | I1146-S1148 PolarHBondContact O-N 3.17Å; I1146-S1148 VanDerWaalsContact O-N 3.09Å; S1148-K1150 PolarHBondContact O-N 3.12Å | ||
| 1149 | Y | 24.3 | Very low | 34.4 | Very low | 214 Ų | 214 | 105.7 Ų | 105.7 | 84% | 0.839 | 60% | 0.595 | S | S | * | * | trans | -72.8 | 73 | -176.2 | -133.4 | -81.7 | 0 | 0 | 0 | 110.3 | S1147 | S1147-Y1149 PolarHBondContact O-N 3.02Š| ||
| 1150 | K | 24 | Very low | 36.2 | Very low | 168 Ų | 168 | 100.7 Ų | 100.7 | 73% | 0.73 | 57% | 0.57 | S | S | * | * | trans | -52.3 | 125.8 | 156.6 | -89.2 | -160.5 | 173.7 | -163.6 | 0 | 105.8 | S1148 Q1152 | S1148-K1150 PolarHBondContact O-N 3.12Å; K1150-Q1152 PolarHBondContact O-N 3.36Å | ||
| 1151 | P | 28.1 | Very low | 38.6 | Very low | 73 Ų | 73 | 93.6 Ų | 93.6 | 47% | 0.474 | 54% | 0.537 | S | S | . | . | trans | -56 | 134.6 | 167.3 | 23.8 | -31.1 | 0 | 0 | 0 | 107.6 | I1153 | P1151-I1153 HydrophobicContact CB-CG1 4.21Å; P1151-I1153 HydrophobicContact CG-CD1 4.15Å; P1151-I1153 HydrophobicContact CG-CG1 3.99Å; P1151-I1153 PolarHBondContact O-N 3.11Å | ||
| 1152 | Q | 33.6 | Very low | 41.2 | Very low | 171 Ų | 171 | 87.6 Ų | 87.6 | 80% | 0.799 | 49% | 0.494 | S | S | * | . | trans | -72.2 | 72.6 | 167.7 | -72.4 | -175.5 | -6.1 | 0 | 0 | 108 | K1150 C1154 | K1150-Q1152 PolarHBondContact O-N 3.36Å; Q1152-C1154 PolarHBondContact O-N 3.19Å | ||
| 1153 | I | 36.9 | Very low | 43.7 | Very low | 85 Ų | 85 | 82.8 Ų | 82.8 | 44% | 0.436 | 46% | 0.46 | S | S | . | . | trans | -56.5 | 133.1 | 166.8 | -62.1 | 168.8 | 0 | 0 | 0 | 106 | P1151 S1155 | P1151-I1153 HydrophobicContact CB-CG1 4.21Å; P1151-I1153 HydrophobicContact CG-CD1 4.15Å; P1151-I1153 HydrophobicContact CG-CG1 3.99Å; P1151-I1153 PolarHBondContact O-N 3.11Å; I1153-S1155 PolarHBondContact O-N 2.98Å | ||
| 1154 | C | 45 | Very low | 46.1 | Very low | 53 Ų | 53 | 80.3 Ų | 80.3 | 36% | 0.358 | 44% | 0.436 | S | S | . | . | trans | -73.4 | 63.4 | 171.4 | -57.8 | 0 | 0 | 0 | 0 | 110.1 | Q1152 N1156 I1157 | Q1152-C1154 PolarHBondContact O-N 3.19Å; C1154-N1156 PolarHBondContact O-N 3.39Å; C1154-N1156 VanDerWaalsContact O-N 3.12Å; C1154-I1157 HydrophobicContact CB-CD1 3.66Å; C1154-I1157 HydrophobicContact CB-CG1 3.71Å | ||
| 1155 | S | 43 | Very low | 48.7 | Very low | 64 Ų | 64 | 72.5 Ų | 72.5 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 114 | 169.3 | 52.9 | 0 | 0 | 0 | 0 | 107.7 | I1153 | I1153-S1155 PolarHBondContact O-N 2.98Š|
| 1156 | N | 53.4 | Low | 51.4 | Low | 33 Ų | 33 | 66.7 Ų | 66.7 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 53.1 | 176 | -52.4 | -13.8 | 0 | 0 | 0 | 115.7 | C1154 S1158 W1364 | C1154-N1156 PolarHBondContact O-N 3.39Å; C1154-N1156 VanDerWaalsContact O-N 3.12Å; N1156-S1158 PolarHBondContact O-N 3.19Å; N1156-W1364 VanDerWaalsContact C-CE3 3.45Å; N1156-W1364 VanDerWaalsContact CA-CE3 3.47Å; N1156-W1364 HydrophobicContact CB-CB 3.98Å; N1156-W1364 HydrophobicContact CB-CD2 3.76Å; N1156-W1364 HydrophobicContact CB-CE3 3.46Å; N1156-W1364 VanDerWaalsContact CB-CE3 3.46Å; N1156-W1364 HydrophobicContact CB-CG 4.05Å; N1156-W1364 HydrophobicContact CB-CZ3 4.03Å |
| 1157 | I | 62.6 | Low | 53.7 | Low | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | trans | -67.5 | 118.4 | 154.5 | -64.7 | -179.9 | 0 | 0 | 0 | 109.1 | C1154 R1161 F1162 W1364 I1437 | C1154-I1157 HydrophobicContact CB-CD1 3.66Å; C1154-I1157 HydrophobicContact CB-CG1 3.71Å; I1157-R1161 HydrophobicContact CG2-CB 4.16Å; I1157-R1161 HydrophobicContact CG2-CG 4.35Å; I1157-F1162 HydrophobicContact CG2-CB 4.17Å; I1157-W1364 VanDerWaalsContact O-CZ3 3.29Å; I1157-W1364 WeakPolarHBondContact O-CZ3 3.48Å; I1157-I1437 HydrophobicContact CD1-CD1 3.93Å | ||
| 1158 | S | 64.6 | Low | 56.3 | Low | 31 Ų | 31 | 55.8 Ų | 55.8 | 22% | 0.217 | 29% | 0.293 | C | S | . | . | trans | -68.2 | 150.8 | 175.8 | 72.4 | 0 | 0 | 0 | 0 | 111.9 | N1156 S1160 R1161 F1162 | N1156-S1158 PolarHBondContact O-N 3.19Å; S1158-S1160 PolarHBondContact O-N 2.88Å; S1158-S1160 VanDerWaalsContact O-N 3.14Å; S1158-R1161 PolarHBondContact O-N 2.94Å; S1158-R1161 PolarHBondContact OG-N 2.99Å; S1158-F1162 PolarHBondContact O-N 3.21Å | ||
| 1159 | P | 67.7 | Low | 58.5 | Low | 11 Ų | 11 | 50.5 Ų | 50.5 | 7% | 0.071 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.9 | -26.4 | 178.6 | -15.7 | 26.6 | 0 | 0 | 0 | 112.6 | M1118 L1163 L1237 L1266 Y1268 | M1118-P1159 HydrophobicContact CE-CB 4.17Å; M1118-P1159 HydrophobicContact CE-CG 3.85Å; M1118-P1159 HydrophobicContact SD-CB 4.13Å; M1118-P1159 HydrophobicContact SD-CG 4.45Å; P1159-L1163 WeakPolarHBondContact O-CB 3.47Å; P1159-L1163 PolarHBondContact O-N 3.2Å; P1159-L1237 HydrophobicContact CB-CD1 3.59Å; P1159-L1237 HydrophobicContact CG-CD1 3.8Å; P1159-L1266 HydrophobicContact CB-CD2 4.42Å; P1159-L1266 HydrophobicContact CG-CD2 4.39Å; P1159-Y1268 HydrophobicContact CG-CE1 4.19Å; P1159-Y1268 WeakPolarHBondContact CG-OH 3.31Å |
| 1160 | S | 65.1 | Low | 60.7 | Low | 25 Ų | 25 | 40.7 Ų | 40.7 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 171.5 | -44.6 | 0 | 0 | 0 | 0 | 111.9 | S1158 Y1164 | S1158-S1160 PolarHBondContact O-N 2.88Å; S1158-S1160 VanDerWaalsContact O-N 3.14Å; S1160-Y1164 WeakPolarHBondContact O-CB 3.42Å; S1160-Y1164 PolarHBondContact O-N 3.19Å |
| 1161 | R | 72 | Confident | 62.8 | Low | 15 Ų | 15 | 35.6 Ų | 35.6 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.4 | -37 | 176.9 | -173.6 | 173.5 | -174.4 | 144.6 | -1.5 | 111.7 | I1157 S1158 Y1164 L1165 L1226 D1366 K1369 | I1157-R1161 HydrophobicContact CG2-CB 4.16Å; I1157-R1161 HydrophobicContact CG2-CG 4.35Å; S1158-R1161 PolarHBondContact O-N 2.94Å; S1158-R1161 PolarHBondContact OG-N 2.99Å; R1161-Y1164 PolarHBondContact O-N 2.83Å; R1161-L1165 HydrophobicContact CG-CD1 4.25Å; R1161-L1165 WeakPolarHBondContact O-CB 3.43Å; R1161-L1165 WeakPolarHBondContact O-CG 3.43Å; R1161-L1165 PolarHBondContact O-N 3.13Å; R1161-L1226 HydrophobicContact CG-CD1 4.2Å; R1161-D1366 WeakPolarHBondContact CD-OD2 3.46Å; R1161-D1366 IonicContact CZ-OD2 3.4Å; R1161-D1366 VanDerWaalsContact CZ-OD2 3.28Å; R1161-D1366 IonicContact NE-OD2 2.73Å; R1161-D1366 PolarHBondContact NE-OD2 3.21Å; R1161-D1366 PolarHBondContact NH1-O 3.26Å; R1161-D1366 IonicContact NH1-OD1 3.03Å; R1161-D1366 IonicContact NH1-OD2 2.67Å; R1161-D1366 PolarHBondContact NH1-OD2 2.83Å; R1161-K1369 PolarHBondContact NH2-O 3.27Å |
| 1162 | F | 79 | Confident | 64.6 | Low | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -52 | 171.5 | -180 | -103.7 | 0 | 0 | 0 | 111.7 | I1116 M1118 I1157 S1158 Y1164 L1165 I1166 V1435 I1437 V1442 | I1116-F1162 HydrophobicContact CG2-CD1 4.35Å; I1116-F1162 HydrophobicContact CG2-CE1 3.7Å; M1118-F1162 HydrophobicContact CG-CD1 4.24Å; M1118-F1162 HydrophobicContact CG-CE1 4.21Å; M1118-F1162 HydrophobicContact CG-CZ 4.48Å; M1118-F1162 HydrophobicContact SD-CB 3.72Å; M1118-F1162 HydrophobicContact SD-CD1 3.66Å; M1118-F1162 HydrophobicContact SD-CD2 4.06Å; M1118-F1162 HydrophobicContact SD-CE1 4.22Å; M1118-F1162 HydrophobicContact SD-CG 3.56Å; M1118-F1162 VanDerWaalsContact SD-CG 3.56Å; I1157-F1162 HydrophobicContact CG2-CB 4.17Å; S1158-F1162 PolarHBondContact O-N 3.21Å; F1162-Y1164 VanDerWaalsContact C-N 3.32Å; F1162-Y1164 PolarHBondContact O-N 3.28Å; F1162-L1165 PolarHBondContact O-N 3.16Å; F1162-I1166 HydrophobicContact CD1-CD1 3.55Å; F1162-I1166 HydrophobicContact CD2-CD1 4.12Å; F1162-I1166 HydrophobicContact CE1-CD1 3.34Å; F1162-I1166 HydrophobicContact CE2-CD1 3.94Å; F1162-I1166 HydrophobicContact CG-CD1 3.94Å; F1162-I1166 HydrophobicContact CZ-CD1 3.56Å; F1162-I1166 WeakPolarHBondContact O-CD1 3.29Å; F1162-I1166 VanDerWaalsContact O-CG1 3.25Å; F1162-I1166 WeakPolarHBondContact O-CG1 3.49Å; F1162-I1166 PolarHBondContact O-N 2.88Å; F1162-I1166 VanDerWaalsContact O-N 3.08Å; F1162-V1435 HydrophobicContact CE2-CB 4Å; F1162-V1435 HydrophobicContact CE2-CG1 3.73Å; F1162-V1435 HydrophobicContact CZ-CB 3.97Å; F1162-V1435 HydrophobicContact CZ-CG1 4.11Å; F1162-V1435 HydrophobicContact CZ-CG2 4.28Å; F1162-I1437 HydrophobicContact CD2-CD1 4.17Å; F1162-V1442 HydrophobicContact CD2-CG1 3.91Å; F1162-V1442 HydrophobicContact CE2-CB 4.22Å; F1162-V1442 HydrophobicContact CE2-CG1 3.92Å |
| 1163 | L | 75 | Confident | 66.1 | Low | 11 Ų | 11 | 28.7 Ų | 28.7 | 6% | 0.058 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 175.2 | -86.5 | 166.4 | 0 | 0 | 0 | 112.8 | I1116 P1159 A1167 I1184 F1188 | I1116-L1163 HydrophobicContact CD1-CD2 3.82Å; I1116-L1163 HydrophobicContact CD1-CG 4.36Å; P1159-L1163 WeakPolarHBondContact O-CB 3.47Å; P1159-L1163 PolarHBondContact O-N 3.2Å; L1163-A1167 VanDerWaalsContact O-CB 3.27Å; L1163-A1167 WeakPolarHBondContact O-CB 3.14Å; L1163-A1167 PolarHBondContact O-N 3.43Å; L1163-I1184 HydrophobicContact CD2-CG2 4.23Å; L1163-F1188 HydrophobicContact CD1-CD2 3.84Å; L1163-F1188 HydrophobicContact CD1-CE2 4.02Å; L1163-F1188 HydrophobicContact CD1-CG 4.43Å |
| 1164 | Y | 74.5 | Confident | 67.3 | Low | 61 Ų | 61 | 34.3 Ų | 34.3 | 24% | 0.239 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.6 | -172.8 | -89.8 | 0 | 0 | 0 | 112.4 | S1160 R1161 F1162 A1167 S1168 L1202 L1226 | S1160-Y1164 WeakPolarHBondContact O-CB 3.42Å; S1160-Y1164 PolarHBondContact O-N 3.19Å; R1161-Y1164 PolarHBondContact O-N 2.83Å; F1162-Y1164 VanDerWaalsContact C-N 3.32Å; F1162-Y1164 PolarHBondContact O-N 3.28Å; Y1164-A1167 PolarHBondContact O-N 2.94Å; Y1164-S1168 VanDerWaalsContact O-CB 3.3Å; Y1164-S1168 WeakPolarHBondContact O-CB 3.27Å; Y1164-S1168 PolarHBondContact O-N 3.38Å; Y1164-S1168 PolarHBondContact O-OG 3.4Å; Y1164-L1202 HydrophobicContact CE2-CD2 3.98Å; Y1164-L1202 VanDerWaalsContact OH-CD2 3.25Å; Y1164-L1202 WeakPolarHBondContact OH-CD2 3.36Å; Y1164-L1226 HydrophobicContact CD1-CD2 3.89Å; Y1164-L1226 HydrophobicContact CE1-CD2 3.73Å |
| 1165 | L | 78 | Confident | 68.2 | Low | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 176.1 | -82.4 | 163.6 | 0 | 0 | 0 | 111.8 | R1161 F1162 S1168 A1169 V1224 L1226 H1373 V1375 I1437 | R1161-L1165 HydrophobicContact CG-CD1 4.25Å; R1161-L1165 WeakPolarHBondContact O-CB 3.43Å; R1161-L1165 WeakPolarHBondContact O-CG 3.43Å; R1161-L1165 PolarHBondContact O-N 3.13Å; F1162-L1165 PolarHBondContact O-N 3.16Å; L1165-S1168 PolarHBondContact O-N 3.4Å; L1165-A1169 PolarHBondContact O-N 2.75Å; L1165-V1224 HydrophobicContact CD2-CB 4.03Å; L1165-V1224 HydrophobicContact CD2-CG1 4Å; L1165-L1226 HydrophobicContact CD1-CD1 4.26Å; L1165-L1226 HydrophobicContact CD2-CD1 3.69Å; L1165-L1226 HydrophobicContact CD2-CG 4.38Å; L1165-L1226 HydrophobicContact CG-CD1 3.93Å; L1165-H1373 HydrophobicContact CD2-CB 4.22Å; L1165-V1375 HydrophobicContact CB-CG2 4.42Å; L1165-V1375 HydrophobicContact CD2-CG2 3.91Å; L1165-I1437 HydrophobicContact CD1-CD1 3.89Å |
| 1166 | I | 79.3 | Confident | 69.3 | Low | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -49.1 | -179.9 | -64.3 | 160.5 | 0 | 0 | 0 | 111.1 | F1162 S1168 A1169 E1170 L1181 I1377 V1435 V1445 | F1162-I1166 HydrophobicContact CD1-CD1 3.55Å; F1162-I1166 HydrophobicContact CD2-CD1 4.12Å; F1162-I1166 HydrophobicContact CE1-CD1 3.34Å; F1162-I1166 HydrophobicContact CE2-CD1 3.94Å; F1162-I1166 HydrophobicContact CG-CD1 3.94Å; F1162-I1166 HydrophobicContact CZ-CD1 3.56Å; F1162-I1166 WeakPolarHBondContact O-CD1 3.29Å; F1162-I1166 VanDerWaalsContact O-CG1 3.25Å; F1162-I1166 WeakPolarHBondContact O-CG1 3.49Å; F1162-I1166 PolarHBondContact O-N 2.88Å; F1162-I1166 VanDerWaalsContact O-N 3.08Å; I1166-S1168 VanDerWaalsContact C-N 3.25Å; I1166-S1168 PolarHBondContact O-N 3.32Å; I1166-A1169 PolarHBondContact O-N 3.43Å; I1166-E1170 HydrophobicContact CG2-CG 4.39Å; I1166-E1170 WeakPolarHBondContact O-CB 3.42Å; I1166-E1170 PolarHBondContact O-N 3.07Å; I1166-L1181 HydrophobicContact CG2-CB 4.41Å; I1166-L1181 HydrophobicContact CG2-CD1 3.63Å; I1166-L1181 HydrophobicContact CG2-CD2 3.65Å; I1166-L1181 HydrophobicContact CG2-CG 4.09Å; I1166-I1377 HydrophobicContact CG2-CD1 3.98Å; I1166-V1435 HydrophobicContact CD1-CB 4.41Å; I1166-V1435 HydrophobicContact CD1-CG1 3.95Å; I1166-V1435 HydrophobicContact CD1-CG2 3.9Å; I1166-V1435 HydrophobicContact CG1-CG1 3.72Å; I1166-V1435 HydrophobicContact CG1-CG2 4.11Å; I1166-V1445 HydrophobicContact CD1-CG2 4.32Å |
| 1167 | A | 73.6 | Confident | 70.1 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -26.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1163 Y1164 S1171 A1185 | L1163-A1167 VanDerWaalsContact O-CB 3.27Å; L1163-A1167 WeakPolarHBondContact O-CB 3.14Å; L1163-A1167 PolarHBondContact O-N 3.43Å; Y1164-A1167 PolarHBondContact O-N 2.94Å; A1167-S1171 VanDerWaalsContact O-CB 3.27Å; A1167-S1171 WeakPolarHBondContact O-CB 3.48Å; A1167-S1171 PolarHBondContact O-N 2.96Å; A1167-A1185 HydrophobicContact CB-CB 3.33Å |
| 1168 | S | 75.6 | Confident | 70.5 | Confident | 22 Ų | 22 | 36.1 Ų | 36.1 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.4 | -48.7 | 172.5 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | Y1164 L1165 I1166 S1171 | Y1164-S1168 VanDerWaalsContact O-CB 3.3Å; Y1164-S1168 WeakPolarHBondContact O-CB 3.27Å; Y1164-S1168 PolarHBondContact O-N 3.38Å; Y1164-S1168 PolarHBondContact O-OG 3.4Å; L1165-S1168 PolarHBondContact O-N 3.4Å; I1166-S1168 VanDerWaalsContact C-N 3.25Å; I1166-S1168 PolarHBondContact O-N 3.32Å; S1168-S1171 PolarHBondContact O-N 3.5Å; S1168-S1171 PolarHBondContact O-OG 3.21Å |
| 1169 | A | 73.2 | Confident | 70.7 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.1 | -53.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1165 I1166 S1171 T1172 C1222 V1224 V1375 I1377 | L1165-A1169 PolarHBondContact O-N 2.75Å; I1166-A1169 PolarHBondContact O-N 3.43Å; A1169-S1171 VanDerWaalsContact C-N 3.26Å; A1169-S1171 PolarHBondContact O-N 2.72Å; A1169-T1172 PolarHBondContact O-N 3.06Å; A1169-T1172 PolarHBondContact O-OG1 3.16Å; A1169-C1222 WeakPolarHBondContact CB-SG 3.39Å; A1169-V1224 HydrophobicContact CB-CG2 4.45Å; A1169-V1375 HydrophobicContact CB-CB 4.44Å; A1169-V1375 HydrophobicContact CB-CG1 4.01Å; A1169-I1377 HydrophobicContact CB-CD1 3.74Å |
| 1170 | E | 70.6 | Confident | 71 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.033 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.1 | -17.9 | -178.6 | -73.1 | -79.8 | -130 | 0 | 0 | 113.5 | I1166 T1172 V1173 A1178 L1181 I1377 | I1166-E1170 HydrophobicContact CG2-CG 4.39Å; I1166-E1170 WeakPolarHBondContact O-CB 3.42Å; I1166-E1170 PolarHBondContact O-N 3.07Å; E1170-T1172 PolarHBondContact O-N 2.88Å; E1170-V1173 PolarHBondContact O-N 2.66Å; E1170-A1178 HydrophobicContact CB-CB 3.8Å; E1170-A1178 VanDerWaalsContact CD-CB 3.5Å; E1170-A1178 HydrophobicContact CG-CB 4.18Å; E1170-A1178 WeakPolarHBondContact OE1-CA 3.43Å; E1170-A1178 VanDerWaalsContact OE2-CB 3.29Å; E1170-A1178 WeakPolarHBondContact OE2-CB 3.32Å; E1170-L1181 HydrophobicContact CG-CD1 4.14Å; E1170-I1377 HydrophobicContact CG-CD1 3.77Å |
| 1171 | S | 67.6 | Low | 71.5 | Confident | 62 Ų | 62 | 37.3 Ų | 37.3 | 43% | 0.434 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.4 | 175.4 | 72.7 | 0 | 0 | 0 | 0 | 114.1 | A1167 S1168 A1169 | A1167-S1171 VanDerWaalsContact O-CB 3.27Å; A1167-S1171 WeakPolarHBondContact O-CB 3.48Å; A1167-S1171 PolarHBondContact O-N 2.96Å; S1168-S1171 PolarHBondContact O-N 3.5Å; S1168-S1171 PolarHBondContact O-OG 3.21Å; A1169-S1171 VanDerWaalsContact C-N 3.26Å; A1169-S1171 PolarHBondContact O-N 2.72Å |
| 1172 | T | 65.9 | Low | 71.5 | Confident | 60 Ų | 60 | 38 Ų | 38 | 37% | 0.368 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6 | 177.5 | 66.7 | 0 | 0 | 0 | 0 | 113.7 | A1169 E1170 V1209 I1212 | A1169-T1172 PolarHBondContact O-N 3.06Å; A1169-T1172 PolarHBondContact O-OG1 3.16Å; E1170-T1172 PolarHBondContact O-N 2.88Å; T1172-V1209 HydrophobicContact CG2-CB 4.09Å; T1172-V1209 HydrophobicContact CG2-CG1 4.01Å; T1172-V1209 HydrophobicContact CG2-CG2 4.32Å; T1172-I1212 HydrophobicContact CG2-CD1 3.8Å |
| 1173 | V | 64.8 | Low | 71 | Confident | 39 Ų | 39 | 42 Ų | 42 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | trans | -126.7 | 125.5 | -167.9 | -178.7 | 0 | 0 | 0 | 0 | 112.3 | E1170 H1175 A1178 T1214 V1220 | E1170-V1173 PolarHBondContact O-N 2.66Å; V1173-H1175 VanDerWaalsContact C-N 3.27Å; V1173-H1175 HydrophobicContact CG1-CB 3.95Å; V1173-H1175 PolarHBondContact O-N 2.93Å; V1173-A1178 HydrophobicContact CB-CB 4.42Å; V1173-A1178 VanDerWaalsContact O-CB 3.24Å; V1173-A1178 WeakPolarHBondContact O-CB 3.24Å; V1173-T1214 HydrophobicContact CG2-CG2 4.33Å; V1173-V1220 HydrophobicContact CG2-CG1 4.29Å; V1173-V1220 HydrophobicContact CG2-CG2 3.97Å | ||
| 1174 | Q | 63.6 | Low | 70.9 | Confident | 202 Ų | 202 | 42.8 Ų | 42.8 | 94% | 0.944 | 23% | 0.23 | S | C | * | . | trans | -84.8 | 56.8 | 178.5 | -63.6 | -172 | 1.3 | 0 | 0 | 112.8 | ||||
| 1175 | H | 63.4 | Low | 70.6 | Confident | 106 Ų | 106 | 40.9 Ų | 40.9 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | trans | -109 | 148.3 | 176.5 | -164.4 | -119.2 | 0 | 0 | 0 | 111.4 | V1173 V1177 A1178 N1179 | V1173-H1175 VanDerWaalsContact C-N 3.27Å; V1173-H1175 HydrophobicContact CG1-CB 3.95Å; V1173-H1175 PolarHBondContact O-N 2.93Å; H1175-V1177 VanDerWaalsContact C-N 3.26Å; H1175-V1177 PolarHBondContact O-N 3.25Å; H1175-A1178 HydrophobicContact CB-CB 4.14Å; H1175-A1178 VanDerWaalsContact O-CB 3.3Å; H1175-A1178 WeakPolarHBondContact O-CB 3.49Å; H1175-A1178 PolarHBondContact O-N 3.31Å; H1175-A1178 VanDerWaalsContact O-N 3.07Å; H1175-N1179 PolarHBondContact O-N 2.86Å | ||
| 1176 | P | 65.7 | Low | 70.1 | Confident | 73 Ų | 73 | 47 Ų | 47 | 47% | 0.474 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.7 | -33.2 | -180 | -26.4 | 36.5 | 0 | 0 | 0 | 113.8 | P1111 A1180 | P1111-P1176 HydrophobicContact CG-CB 3.76Å; P1176-A1180 PolarHBondContact O-N 3.32Å |
| 1177 | V | 70.9 | Confident | 69.3 | Low | 21 Ų | 21 | 50 Ų | 50 | 13% | 0.127 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 170.9 | 163.4 | 0 | 0 | 0 | 0 | 111.5 | H1175 N1179 A1180 L1181 V1433 I1447 | H1175-V1177 VanDerWaalsContact C-N 3.26Å; H1175-V1177 PolarHBondContact O-N 3.25Å; V1177-N1179 VanDerWaalsContact C-N 3.31Å; V1177-N1179 PolarHBondContact O-N 3.18Å; V1177-A1180 WeakPolarHBondContact O-CB 3.49Å; V1177-A1180 PolarHBondContact O-N 2.91Å; V1177-L1181 HydrophobicContact CG1-CD1 4.24Å; V1177-L1181 PolarHBondContact O-N 3.45Å; V1177-L1181 VanDerWaalsContact O-N 3.11Å; V1177-V1433 HydrophobicContact CG1-CG2 4Å; V1177-I1447 HydrophobicContact CB-CD1 4.11Å; V1177-I1447 HydrophobicContact CG1-CD1 3.61Å; V1177-I1447 HydrophobicContact CG2-CD1 4.02Å |
| 1178 | A | 70.3 | Confident | 68.8 | Low | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1170 V1173 H1175 A1180 L1181 L1182 | E1170-A1178 HydrophobicContact CB-CB 3.8Å; E1170-A1178 VanDerWaalsContact CD-CB 3.5Å; E1170-A1178 HydrophobicContact CG-CB 4.18Å; E1170-A1178 WeakPolarHBondContact OE1-CA 3.43Å; E1170-A1178 VanDerWaalsContact OE2-CB 3.29Å; E1170-A1178 WeakPolarHBondContact OE2-CB 3.32Å; V1173-A1178 HydrophobicContact CB-CB 4.42Å; V1173-A1178 VanDerWaalsContact O-CB 3.24Å; V1173-A1178 WeakPolarHBondContact O-CB 3.24Å; H1175-A1178 HydrophobicContact CB-CB 4.14Å; H1175-A1178 VanDerWaalsContact O-CB 3.3Å; H1175-A1178 WeakPolarHBondContact O-CB 3.49Å; H1175-A1178 PolarHBondContact O-N 3.31Å; H1175-A1178 VanDerWaalsContact O-N 3.07Å; A1178-A1180 PolarHBondContact O-N 3.38Å; A1178-L1181 PolarHBondContact O-N 2.87Å; A1178-L1182 WeakPolarHBondContact O-CB 3.45Å; A1178-L1182 PolarHBondContact O-N 2.83Å |
| 1179 | N | 69.6 | Low | 68.1 | Low | 88 Ų | 88 | 53.6 Ų | 53.6 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.6 | -38.1 | 179.9 | -155.9 | 9.1 | 0 | 0 | 0 | 112.4 | H1175 V1177 L1182 I1183 | H1175-N1179 PolarHBondContact O-N 2.86Å; V1177-N1179 VanDerWaalsContact C-N 3.31Å; V1177-N1179 PolarHBondContact O-N 3.18Å; N1179-L1182 PolarHBondContact O-N 3.5Å; N1179-I1183 WeakPolarHBondContact O-CB 3.24Å; N1179-I1183 WeakPolarHBondContact O-CD1 3.34Å; N1179-I1183 WeakPolarHBondContact O-CG1 3.49Å; N1179-I1183 PolarHBondContact O-N 3.3Å |
| 1180 | A | 72.5 | Confident | 67.2 | Low | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1111 P1176 V1177 A1178 I1183 I1184 | P1111-A1180 VanDerWaalsContact O-CB 3.23Å; P1111-A1180 WeakPolarHBondContact O-CB 3.23Å; P1176-A1180 PolarHBondContact O-N 3.32Å; V1177-A1180 WeakPolarHBondContact O-CB 3.49Å; V1177-A1180 PolarHBondContact O-N 2.91Å; A1178-A1180 PolarHBondContact O-N 3.38Å; A1180-I1183 PolarHBondContact O-N 3.5Å; A1180-I1184 PolarHBondContact O-N 3.02Å |
| 1181 | L | 76 | Confident | 66.4 | Low | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 173.9 | -84.2 | 159.8 | 0 | 0 | 0 | 112.1 | V1113 I1166 E1170 V1177 A1178 I1183 I1184 A1185 V1445 | V1113-L1181 HydrophobicContact CG2-CD2 3.99Å; V1113-L1181 HydrophobicContact CG2-CG 4.1Å; I1166-L1181 HydrophobicContact CG2-CB 4.41Å; I1166-L1181 HydrophobicContact CG2-CD1 3.63Å; I1166-L1181 HydrophobicContact CG2-CD2 3.65Å; I1166-L1181 HydrophobicContact CG2-CG 4.09Å; E1170-L1181 HydrophobicContact CG-CD1 4.14Å; V1177-L1181 HydrophobicContact CG1-CD1 4.24Å; V1177-L1181 PolarHBondContact O-N 3.45Å; V1177-L1181 VanDerWaalsContact O-N 3.11Å; A1178-L1181 PolarHBondContact O-N 2.87Å; L1181-I1183 PolarHBondContact O-N 2.93Å; L1181-I1184 PolarHBondContact O-N 3.27Å; L1181-A1185 PolarHBondContact O-N 3.23Å; L1181-V1445 HydrophobicContact CD1-CG1 4.33Å; L1181-V1445 HydrophobicContact CD2-CG1 3.81Å; L1181-V1445 HydrophobicContact CD2-CG2 4.31Å; L1181-V1445 HydrophobicContact CG-CG1 4.24Å |
| 1182 | L | 71.9 | Confident | 65.5 | Low | 29 Ų | 29 | 63.6 Ų | 63.6 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 179 | -130.7 | 176.9 | 0 | 0 | 0 | 112.2 | A1178 N1179 R1186 | A1178-L1182 WeakPolarHBondContact O-CB 3.45Å; A1178-L1182 PolarHBondContact O-N 2.83Å; N1179-L1182 PolarHBondContact O-N 3.5Å; L1182-R1186 HydrophobicContact CD2-CG 4.17Å; L1182-R1186 VanDerWaalsContact CD2-NE 3.33Å; L1182-R1186 WeakPolarHBondContact O-CB 3.5Å; L1182-R1186 WeakPolarHBondContact O-CD 3.44Å; L1182-R1186 WeakPolarHBondContact O-CG 3.29Å; L1182-R1186 PolarHBondContact O-N 3.46Å |
| 1183 | I | 68.3 | Low | 64.7 | Low | 85 Ų | 85 | 64.5 Ų | 64.5 | 44% | 0.436 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 173.4 | -74.6 | 163.2 | 0 | 0 | 0 | 110.8 | N1179 A1180 L1181 R1186 T1187 | N1179-I1183 WeakPolarHBondContact O-CB 3.24Å; N1179-I1183 WeakPolarHBondContact O-CD1 3.34Å; N1179-I1183 WeakPolarHBondContact O-CG1 3.49Å; N1179-I1183 PolarHBondContact O-N 3.3Å; A1180-I1183 PolarHBondContact O-N 3.5Å; L1181-I1183 PolarHBondContact O-N 2.93Å; I1183-R1186 PolarHBondContact O-N 3.07Å; I1183-T1187 WeakPolarHBondContact O-CB 3.43Å; I1183-T1187 PolarHBondContact O-N 3.44Å; I1183-T1187 PolarHBondContact O-OG1 3.16Å |
| 1184 | I | 73.2 | Confident | 63.8 | Low | 28 Ų | 28 | 67.2 Ų | 67.2 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.6 | -42.4 | -178.1 | -77.6 | 170 | 0 | 0 | 0 | 111.5 | V1113 L1163 A1180 L1181 R1186 T1187 F1188 | V1113-I1184 HydrophobicContact CB-CD1 3.49Å; V1113-I1184 VanDerWaalsContact CB-CD1 3.49Å; V1113-I1184 HydrophobicContact CG2-CD1 3.81Å; L1163-I1184 HydrophobicContact CD2-CG2 4.23Å; A1180-I1184 PolarHBondContact O-N 3.02Å; L1181-I1184 PolarHBondContact O-N 3.27Å; I1184-R1186 VanDerWaalsContact C-N 3.33Å; I1184-R1186 PolarHBondContact O-N 3.02Å; I1184-T1187 WeakPolarHBondContact O-CB 3.01Å; I1184-T1187 PolarHBondContact O-N 3.34Å; I1184-T1187 VanDerWaalsContact O-N 3.08Å; I1184-F1188 PolarHBondContact O-N 3.14Å |
| 1185 | A | 69.4 | Low | 62.9 | Low | 20 Ų | 20 | 64.7 Ų | 64.7 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1167 L1181 T1187 F1188 R1189 | A1167-A1185 HydrophobicContact CB-CB 3.33Å; L1181-A1185 PolarHBondContact O-N 3.23Å; A1185-T1187 VanDerWaalsContact C-N 3.33Å; A1185-T1187 PolarHBondContact O-N 3.24Å; A1185-F1188 PolarHBondContact O-N 3.15Å; A1185-R1189 WeakPolarHBondContact O-CB 3.27Å; A1185-R1189 PolarHBondContact O-N 3.07Å |
| 1186 | R | 66 | Low | 61.9 | Low | 129 Ų | 129 | 64.1 Ų | 64.1 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 171.9 | -75.4 | 170.8 | -178.4 | -179.3 | 6.8 | 112.5 | L1182 I1183 I1184 R1190 | L1182-R1186 HydrophobicContact CD2-CG 4.17Å; L1182-R1186 VanDerWaalsContact CD2-NE 3.33Å; L1182-R1186 WeakPolarHBondContact O-CB 3.5Å; L1182-R1186 WeakPolarHBondContact O-CD 3.44Å; L1182-R1186 WeakPolarHBondContact O-CG 3.29Å; L1182-R1186 PolarHBondContact O-N 3.46Å; I1183-R1186 PolarHBondContact O-N 3.07Å; I1184-R1186 VanDerWaalsContact C-N 3.33Å; I1184-R1186 PolarHBondContact O-N 3.02Å; R1186-R1190 WeakPolarHBondContact O-CG 3.36Å; R1186-R1190 PolarHBondContact O-N 2.96Å; R1186-R1190 VanDerWaalsContact O-N 3.12Å |
| 1187 | T | 64.3 | Low | 60.7 | Low | 62 Ų | 62 | 65.3 Ų | 65.3 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.4 | -44.2 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 110.7 | I1183 I1184 A1185 R1189 R1190 F1191 L1262 | I1183-T1187 WeakPolarHBondContact O-CB 3.43Å; I1183-T1187 PolarHBondContact O-N 3.44Å; I1183-T1187 PolarHBondContact O-OG1 3.16Å; I1184-T1187 WeakPolarHBondContact O-CB 3.01Å; I1184-T1187 PolarHBondContact O-N 3.34Å; I1184-T1187 VanDerWaalsContact O-N 3.08Å; A1185-T1187 VanDerWaalsContact C-N 3.33Å; A1185-T1187 PolarHBondContact O-N 3.24Å; T1187-R1189 PolarHBondContact O-N 3.46Å; T1187-R1190 WeakPolarHBondContact O-CB 3.43Å; T1187-R1190 PolarHBondContact O-N 3.2Å; T1187-R1190 VanDerWaalsContact O-N 3.15Å; T1187-F1191 PolarHBondContact O-N 3.16Å; T1187-L1262 HydrophobicContact CG2-CD2 4.23Å |
| 1188 | F | 62.7 | Low | 59 | Low | 22 Ų | 22 | 70.9 Ų | 70.9 | 10% | 0.096 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 173.5 | -129.4 | -74.1 | 0 | 0 | 0 | 111.9 | L1163 I1184 A1185 R1190 F1191 A1192 P1235 L1237 L1262 | L1163-F1188 HydrophobicContact CD1-CD2 3.84Å; L1163-F1188 HydrophobicContact CD1-CE2 4.02Å; L1163-F1188 HydrophobicContact CD1-CG 4.43Å; I1184-F1188 PolarHBondContact O-N 3.14Å; A1185-F1188 PolarHBondContact O-N 3.15Å; F1188-R1190 VanDerWaalsContact C-N 3.34Å; F1188-R1190 PolarHBondContact O-N 3.21Å; F1188-F1191 PolarHBondContact O-N 3.46Å; F1188-A1192 PolarHBondContact O-N 3.4Å; F1188-P1235 HydrophobicContact CE1-CG 4.44Å; F1188-L1237 HydrophobicContact CZ-CD1 3.97Å; F1188-L1237 HydrophobicContact CZ-CD2 4.23Å; F1188-L1237 HydrophobicContact CZ-CG 4.3Å; F1188-L1262 HydrophobicContact CD2-CD1 4.04Å; F1188-L1262 HydrophobicContact CE2-CD1 3.5Å; F1188-L1262 VanDerWaalsContact CE2-CD1 3.5Å; F1188-L1262 HydrophobicContact CZ-CD1 4.08Å |
| 1189 | R | 59.6 | Low | 57.2 | Low | 86 Ų | 86 | 77.2 Ų | 77.2 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 174.1 | -179.7 | 172.6 | 174 | 166.2 | -1.7 | 112.3 | A1185 T1187 F1191 A1192 L1193 L1202 | A1185-R1189 WeakPolarHBondContact O-CB 3.27Å; A1185-R1189 PolarHBondContact O-N 3.07Å; T1187-R1189 PolarHBondContact O-N 3.46Å; R1189-F1191 VanDerWaalsContact C-N 3.35Å; R1189-A1192 PolarHBondContact O-N 3.43Å; R1189-L1193 HydrophobicContact CG-CD1 3.95Å; R1189-L1193 HydrophobicContact CG-CG 4.42Å; R1189-L1193 WeakPolarHBondContact O-CB 3.45Å; R1189-L1193 VanDerWaalsContact O-CG 3.27Å; R1189-L1193 WeakPolarHBondContact O-CG 3.42Å; R1189-L1193 PolarHBondContact O-N 3.31Å; R1189-L1202 PolarHBondContact NH1-O 3.31Å; R1189-L1202 PolarHBondContact NH2-O 3.1Å |
| 1190 | R | 54.7 | Low | 55.7 | Low | 171 Ų | 171 | 75.9 Ų | 75.9 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.5 | -38.3 | 174.8 | -78.2 | 178.8 | 169.5 | -131.8 | -8.1 | 112.3 | R1186 T1187 F1188 S1194 | R1186-R1190 WeakPolarHBondContact O-CG 3.36Å; R1186-R1190 PolarHBondContact O-N 2.96Å; R1186-R1190 VanDerWaalsContact O-N 3.12Å; T1187-R1190 WeakPolarHBondContact O-CB 3.43Å; T1187-R1190 PolarHBondContact O-N 3.2Å; T1187-R1190 VanDerWaalsContact O-N 3.15Å; F1188-R1190 VanDerWaalsContact C-N 3.34Å; F1188-R1190 PolarHBondContact O-N 3.21Å; R1190-S1194 PolarHBondContact O-N 3.42Å |
| 1191 | F | 53.5 | Low | 53.8 | Low | 94 Ų | 94 | 83.4 Ų | 83.4 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.4 | -43.6 | 176.4 | -129 | -79.6 | 0 | 0 | 0 | 111.7 | T1187 F1188 R1189 S1194 F1195 A1261 | T1187-F1191 PolarHBondContact O-N 3.16Å; F1188-F1191 PolarHBondContact O-N 3.46Å; R1189-F1191 VanDerWaalsContact C-N 3.35Å; F1191-S1194 VanDerWaalsContact O-CB 3.29Å; F1191-S1194 WeakPolarHBondContact O-CB 3.45Å; F1191-S1194 PolarHBondContact O-N 2.67Å; F1191-S1194 VanDerWaalsContact O-N 3.16Å; F1191-F1195 HydrophobicContact CD1-CE2 4.28Å; F1191-F1195 HydrophobicContact CE1-CE2 4.44Å; F1191-A1261 HydrophobicContact CE2-CB 4.4Å; F1191-A1261 HydrophobicContact CZ-CB 4.18Å |
| 1192 | A | 49.8 | Very low | 51.9 | Low | 15 Ų | 15 | 84.7 Ų | 84.7 | 12% | 0.124 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1188 R1189 S1194 F1195 | F1188-A1192 PolarHBondContact O-N 3.4Å; R1189-A1192 PolarHBondContact O-N 3.43Å; A1192-S1194 PolarHBondContact O-N 2.58Å; A1192-S1194 VanDerWaalsContact O-N 3.12Å; A1192-F1195 PolarHBondContact O-N 3.4Å |
| 1193 | L | 48.1 | Very low | 50.1 | Low | 79 Ų | 79 | 88.7 Ų | 88.7 | 41% | 0.414 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.5 | -17.7 | 175 | -74.8 | 167.2 | 0 | 0 | 0 | 113.6 | R1189 F1195 | R1189-L1193 HydrophobicContact CG-CD1 3.95Å; R1189-L1193 HydrophobicContact CG-CG 4.42Å; R1189-L1193 WeakPolarHBondContact O-CB 3.45Å; R1189-L1193 VanDerWaalsContact O-CG 3.27Å; R1189-L1193 WeakPolarHBondContact O-CG 3.42Å; R1189-L1193 PolarHBondContact O-N 3.31Å; L1193-F1195 VanDerWaalsContact C-N 3.27Å |
| 1194 | S | 47.1 | Very low | 48.6 | Very low | 96 Ų | 96 | 87.5 Ų | 87.5 | 67% | 0.671 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.2 | 174.3 | -166.4 | 0 | 0 | 0 | 0 | 113.8 | R1190 F1191 A1192 | R1190-S1194 PolarHBondContact O-N 3.42Å; F1191-S1194 VanDerWaalsContact O-CB 3.29Å; F1191-S1194 WeakPolarHBondContact O-CB 3.45Å; F1191-S1194 PolarHBondContact O-N 2.67Å; F1191-S1194 VanDerWaalsContact O-N 3.16Å; A1192-S1194 PolarHBondContact O-N 2.58Å; A1192-S1194 VanDerWaalsContact O-N 3.12Å |
| 1195 | F | 43.7 | Very low | 46.8 | Very low | 149 Ų | 149 | 90.1 Ų | 90.1 | 65% | 0.654 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -19 | -178.7 | -79.6 | -86.4 | 0 | 0 | 0 | 114 | F1191 A1192 L1193 | F1191-F1195 HydrophobicContact CD1-CE2 4.28Å; F1191-F1195 HydrophobicContact CE1-CE2 4.44Å; A1192-F1195 PolarHBondContact O-N 3.4Å; L1193-F1195 VanDerWaalsContact C-N 3.27Å |
| 1196 | N | 41.9 | Very low | 45.3 | Very low | 95 Ų | 95 | 93.8 Ų | 93.8 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | trans | -153.6 | 111.8 | 170.9 | -116.8 | -12.1 | 0 | 0 | 0 | 110 | ||||
| 1197 | P | 41.3 | Very low | 44.3 | Very low | 97 Ų | 97 | 94.5 Ų | 94.5 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -82 | -21.6 | -178.9 | 28.3 | -31 | 0 | 0 | 0 | 114.2 | ||
| 1198 | N | 34.9 | Very low | 44 | Very low | 138 Ų | 138 | 96.9 Ų | 96.9 | 74% | 0.738 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -99.7 | 3.2 | -162.7 | -67.8 | 7.9 | 0 | 0 | 0 | 115.4 | ||
| 1199 | E | 33.5 | Very low | 44 | Very low | 134 Ų | 134 | 97 Ų | 97 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -128 | 154.5 | 176.1 | -74.2 | -167.3 | 120.9 | 0 | 0 | 112.8 | ||
| 1200 | L | 36.4 | Very low | 44.4 | Very low | 60 Ų | 60 | 95.5 Ų | 95.5 | 31% | 0.314 | 49% | 0.492 | S | S | . | . | trans | 62.5 | 74.4 | -179.1 | -90.3 | 60.5 | 0 | 0 | 0 | 115.8 | L1202 P1232 | L1200-L1202 HydrophobicContact CB-CD1 4.08Å; L1200-L1202 HydrophobicContact CD2-CD1 3.75Å; L1200-L1202 HydrophobicContact CG-CD1 3.72Å; L1200-L1202 PolarHBondContact O-N 3Å; L1200-P1232 HydrophobicContact CD2-CB 4.09Å | ||
| 1201 | L | 33.2 | Very low | 45.2 | Very low | 161 Ų | 161 | 94.6 Ų | 94.6 | 84% | 0.843 | 50% | 0.495 | S | S | * | . | trans | -64.3 | 59.5 | 153.4 | -112.6 | 172.3 | 0 | 0 | 0 | 111.7 | N1203 | L1201-N1203 PolarHBondContact O-N 3.19Š| ||
| 1202 | L | 35.7 | Very low | 46 | Very low | 28 Ų | 28 | 94 Ų | 94 | 15% | 0.147 | 50% | 0.495 | C | S | . | . | trans | -70.5 | 84.8 | 169.4 | -107.5 | 101.9 | 0 | 0 | 0 | 109.9 | Y1164 R1189 L1200 T1204 D1230 | Y1164-L1202 HydrophobicContact CE2-CD2 3.98Å; Y1164-L1202 VanDerWaalsContact OH-CD2 3.25Å; Y1164-L1202 WeakPolarHBondContact OH-CD2 3.36Å; R1189-L1202 PolarHBondContact NH1-O 3.31Å; R1189-L1202 PolarHBondContact NH2-O 3.1Å; L1200-L1202 HydrophobicContact CB-CD1 4.08Å; L1200-L1202 HydrophobicContact CD2-CD1 3.75Å; L1200-L1202 HydrophobicContact CG-CD1 3.72Å; L1200-L1202 PolarHBondContact O-N 3Å; L1202-T1204 PolarHBondContact O-N 2.94Å; L1202-T1204 VanDerWaalsContact O-N 3.12Å; L1202-D1230 VanDerWaalsContact CD1-O 3.32Å; L1202-D1230 WeakPolarHBondContact CD1-O 3.45Å; L1202-D1230 WeakPolarHBondContact CD2-O 3.45Å | ||
| 1203 | N | 34.7 | Very low | 47.3 | Very low | 114 Ų | 114 | 99.2 Ų | 99.2 | 61% | 0.61 | 52% | 0.515 | S | S | * | . | trans | -48.7 | 111.5 | 150.3 | -84.9 | -28.2 | 0 | 0 | 0 | 107.8 | L1201 S1205 | L1201-N1203 PolarHBondContact O-N 3.19Å; N1203-S1205 PolarHBondContact O-N 3.12Å | ||
| 1204 | T | 36.5 | Very low | 48.4 | Very low | 59 Ų | 59 | 99.7 Ų | 99.7 | 36% | 0.362 | 52% | 0.521 | S | S | . | . | trans | -77.3 | 70.8 | 153.4 | 61.2 | 0 | 0 | 0 | 0 | 107 | K883 L1202 | K883-T1204 VanDerWaalsContact CD-OG1 3.31Å; K883-T1204 WeakPolarHBondContact CD-OG1 3.2Å; K883-T1204 WeakPolarHBondContact CE-OG1 3.4Å; K883-T1204 PolarHBondContact NZ-OG1 3.46Å; L1202-T1204 PolarHBondContact O-N 2.94Å; L1202-T1204 VanDerWaalsContact O-N 3.12Å | ||
| 1205 | S | 36 | Very low | 49.4 | Very low | 83 Ų | 83 | 97.3 Ų | 97.3 | 58% | 0.58 | 50% | 0.504 | S | S | * | . | trans | -55.7 | 150.3 | 151.5 | 48.7 | 0 | 0 | 0 | 0 | 107.9 | N1203 | N1203-S1205 PolarHBondContact O-N 3.12Š| ||
| 1206 | K | 37.5 | Very low | 50.1 | Low | 97 Ų | 97 | 96.4 Ų | 96.4 | 42% | 0.422 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -60.9 | 159 | 179.6 | -41.5 | 174.7 | 80.3 | -142.6 | 0 | 110.4 | Q880 | Q880-K1206 HydrophobicContact CB-CD 4.25Å; Q880-K1206 WeakPolarHBondContact O-CD 3.31Å; Q880-K1206 WeakPolarHBondContact O-CE 3.25Å; Q880-K1206 WeakPolarHBondContact O-CG 3.34Å |
| 1207 | E | 44.2 | Very low | 51 | Low | 144 Ų | 144 | 95.3 Ų | 95.3 | 67% | 0.673 | 53% | 0.528 | S | S | * | . | trans | 62.5 | 64.1 | 150.4 | -65 | 144.9 | -130.7 | 0 | 0 | 117.6 | ||||
| 1208 | R | 58.5 | Low | 52.5 | Low | 113 Ų | 113 | 92.2 Ų | 92.2 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | trans | -103.7 | 26.3 | 144.7 | -73.7 | -163.4 | -168.4 | 138.5 | 7.6 | 112.7 | D1225 L1227 D1230 | R1208-D1225 HydrophobicContact CB-CB 4.21Å; R1208-D1225 VanDerWaalsContact CD-O 3.32Å; R1208-D1225 WeakPolarHBondContact CD-O 3.39Å; R1208-D1225 PolarHBondContact O-N 3.27Å; R1208-L1227 VanDerWaalsContact NH2-CD1 3.3Å; R1208-D1230 IonicContact CZ-OD2 2.88Å; R1208-D1230 IonicContact NH1-OD1 2.98Å; R1208-D1230 PolarHBondContact NH1-OD1 3.25Å; R1208-D1230 IonicContact NH1-OD2 3.59Å; R1208-D1230 PolarHBondContact NH1-OD2 2.99Å | ||
| 1209 | V | 62.1 | Low | 54.6 | Low | 23 Ų | 23 | 86.4 Ų | 86.4 | 14% | 0.139 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 115.4 | 176 | -174 | 0 | 0 | 0 | 0 | 107.3 | T1172 I1212 C1222 V1224 | T1172-V1209 HydrophobicContact CG2-CB 4.09Å; T1172-V1209 HydrophobicContact CG2-CG1 4.01Å; T1172-V1209 HydrophobicContact CG2-CG2 4.32Å; V1209-I1212 HydrophobicContact CG1-CD1 4.07Å; V1209-I1212 HydrophobicContact CG1-CG1 3.84Å; V1209-C1222 HydrophobicContact CG1-CB 3.54Å; V1209-V1224 HydrophobicContact CG2-CG2 4.46Å |
| 1210 | S | 69.4 | Low | 56.9 | Low | 55 Ų | 55 | 80.6 Ų | 80.6 | 39% | 0.385 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 169.4 | -176.7 | 68.7 | 0 | 0 | 0 | 0 | 111.1 | I1212 S1223 | S1210-I1212 PolarHBondContact O-N 2.92Å; S1210-I1212 VanDerWaalsContact O-N 3.13Å; S1210-S1223 PolarHBondContact N-O 2.7Å; S1210-S1223 PolarHBondContact O-N 2.97Å; S1210-S1223 WeakPolarHBondContact OG-CB 3.46Å; S1210-S1223 PolarHBondContact OG-O 3.28Å |
| 1211 | Q | 70.5 | Confident | 59.3 | Low | 153 Ų | 153 | 79.3 Ų | 79.3 | 72% | 0.715 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53 | 37.2 | 175.1 | -58.7 | 178.4 | -25.1 | 0 | 0 | 114.1 | K1213 S1223 | Q1211-K1213 PolarHBondContact O-N 3.44Å; Q1211-S1223 PolarHBondContact OE1-OG 3.14Å |
| 1212 | I | 71.3 | Confident | 61.8 | Low | 82 Ų | 82 | 71.7 Ų | 71.7 | 42% | 0.421 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 125.5 | -178.2 | -58.5 | 165.8 | 0 | 0 | 0 | 109.9 | T1172 V1209 S1210 T1214 Q1221 C1222 | T1172-I1212 HydrophobicContact CG2-CD1 3.8Å; V1209-I1212 HydrophobicContact CG1-CD1 4.07Å; V1209-I1212 HydrophobicContact CG1-CG1 3.84Å; S1210-I1212 PolarHBondContact O-N 2.92Å; S1210-I1212 VanDerWaalsContact O-N 3.13Å; I1212-T1214 HydrophobicContact CG2-CG2 4.14Å; I1212-Q1221 CarbonylContact C-O 3.6Å; I1212-Q1221 WeakPolarHBondContact CA-O 3.49Å; I1212-C1222 HydrophobicContact CG1-CB 4Å |
| 1213 | K | 77.2 | Confident | 64 | Low | 123 Ų | 123 | 70.7 Ų | 70.7 | 54% | 0.535 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 106.2 | -179.1 | -168.5 | -177.3 | -176.3 | -171.5 | 0 | 108.8 | Q1211 Q1221 | Q1211-K1213 PolarHBondContact O-N 3.44Å; K1213-Q1221 HydrophobicContact CB-CB 4.35Å; K1213-Q1221 PolarHBondContact N-O 3.44Å; K1213-Q1221 PolarHBondContact O-N 3.12Å |
| 1214 | T | 70.1 | Confident | 66.1 | Low | 90 Ų | 90 | 65.5 Ų | 65.5 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 149.3 | -178.8 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | V1173 I1212 V1220 | V1173-T1214 HydrophobicContact CG2-CG2 4.33Å; I1212-T1214 HydrophobicContact CG2-CG2 4.14Å; T1214-V1220 HydrophobicContact CG2-CG1 4.21Å; T1214-V1220 HydrophobicContact CG2-CG2 4.26Å |
| 1215 | S | 68.8 | Low | 67.9 | Low | 45 Ų | 45 | 66 Ų | 66 | 32% | 0.315 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 121.6 | 173.6 | -169.3 | 0 | 0 | 0 | 0 | 110.3 | G1217 L1218 G1219 W1382 | S1215-G1217 PolarHBondContact O-N 3.18Å; S1215-L1218 PolarHBondContact O-N 3.42Å; S1215-G1219 PolarHBondContact N-O 2.94Å; S1215-G1219 PolarHBondContact O-N 3.36Å; S1215-G1219 VanDerWaalsContact O-N 3.16Å; S1215-W1382 VanDerWaalsContact CB-CZ3 3.47Å |
| 1216 | S | 59.2 | Low | 69.6 | Low | 130 Ų | 130 | 62.1 Ų | 62.1 | 91% | 0.909 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 125.2 | -171.7 | -169 | 0 | 0 | 0 | 0 | 111.4 | L1218 | S1216-L1218 VanDerWaalsContact C-N 3.25Å; S1216-L1218 PolarHBondContact O-N 3.43Å |
| 1217 | G | 59.6 | Low | 70.6 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 75% | 0.753 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | S1215 N1379 | S1215-G1217 PolarHBondContact O-N 3.18Å; G1217-N1379 PolarHBondContact O-ND2 3.34Å |
| 1218 | L | 74.1 | Confident | 71.1 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -57.6 | -178.6 | -83.2 | 160.1 | 0 | 0 | 0 | 113 | S1215 S1216 G1378 N1379 E1381 W1382 | S1215-L1218 PolarHBondContact O-N 3.42Å; S1216-L1218 VanDerWaalsContact C-N 3.25Å; S1216-L1218 PolarHBondContact O-N 3.43Å; L1218-G1378 WeakPolarHBondContact O-CA 3.28Å; L1218-N1379 PolarHBondContact O-N 2.89Å; L1218-E1381 HydrophobicContact CD2-CB 3.92Å; L1218-W1382 HydrophobicContact CB-CB 4.38Å; L1218-W1382 HydrophobicContact CB-CD2 4.28Å; L1218-W1382 HydrophobicContact CB-CE3 3.79Å; L1218-W1382 HydrophobicContact CB-CZ3 4.43Å; L1218-W1382 HydrophobicContact CD1-CE3 4.46Å; L1218-W1382 HydrophobicContact CD2-CB 4.42Å |
| 1219 | G | 77.1 | Confident | 70.9 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.8 | -165.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116 | S1215 I1377 | S1215-G1219 PolarHBondContact N-O 2.94Å; S1215-G1219 PolarHBondContact O-N 3.36Å; S1215-G1219 VanDerWaalsContact O-N 3.16Å; G1219-I1377 CarbonylContact C-O 3.48Å; G1219-I1377 VanDerWaalsContact CA-O 3.27Å; G1219-I1377 WeakPolarHBondContact CA-O 3.44Å |
| 1220 | V | 83.4 | Confident | 70.5 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.9 | -175.6 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | V1173 T1214 L1376 I1377 W1382 | V1173-V1220 HydrophobicContact CG2-CG1 4.29Å; V1173-V1220 HydrophobicContact CG2-CG2 3.97Å; T1214-V1220 HydrophobicContact CG2-CG1 4.21Å; T1214-V1220 HydrophobicContact CG2-CG2 4.26Å; V1220-L1376 WeakPolarHBondContact O-CA 3.41Å; V1220-I1377 PolarHBondContact N-O 2.61Å; V1220-I1377 PolarHBondContact O-N 2.95Å; V1220-W1382 PolarHBondContact O-NE1 3.38Å |
| 1221 | Q | 85.5 | Confident | 69.8 | Low | 34 Ų | 34 | 57.8 Ų | 57.8 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 138.5 | 164.5 | 172.9 | 176.9 | 35 | 0 | 0 | 108.2 | I1212 K1213 V1375 L1376 W1382 | I1212-Q1221 CarbonylContact C-O 3.6Å; I1212-Q1221 WeakPolarHBondContact CA-O 3.49Å; K1213-Q1221 HydrophobicContact CB-CB 4.35Å; K1213-Q1221 PolarHBondContact N-O 3.44Å; K1213-Q1221 PolarHBondContact O-N 3.12Å; Q1221-V1375 WeakPolarHBondContact CA-O 3.34Å; Q1221-L1376 HydrophobicContact CB-CD2 4.35Å; Q1221-L1376 HydrophobicContact CB-CG 3.97Å; Q1221-L1376 HydrophobicContact CG-CD1 4.11Å; Q1221-L1376 HydrophobicContact CG-CD2 4.35Å; Q1221-L1376 HydrophobicContact CG-CG 3.88Å; Q1221-W1382 HydrophobicContact CB-CZ2 4.04Å |
| 1222 | C | 85.4 | Confident | 68.9 | Low | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 159.2 | 171.2 | 60.6 | 0 | 0 | 0 | 0 | 111.7 | A1169 V1209 I1212 V1375 | A1169-C1222 WeakPolarHBondContact CB-SG 3.39Å; V1209-C1222 HydrophobicContact CG1-CB 3.54Å; I1212-C1222 HydrophobicContact CG1-CB 4Å; C1222-V1375 PolarHBondContact N-O 3.16Å; C1222-V1375 PolarHBondContact O-N 3.46Å |
| 1223 | S | 83.2 | Confident | 67.7 | Low | 7 Ų | 7 | 53.8 Ų | 53.8 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 113.9 | 175.3 | -63.5 | 0 | 0 | 0 | 0 | 108.7 | S1210 Q1211 H1373 | S1210-S1223 PolarHBondContact N-O 2.7Å; S1210-S1223 PolarHBondContact O-N 2.97Å; S1210-S1223 WeakPolarHBondContact OG-CB 3.46Å; S1210-S1223 PolarHBondContact OG-O 3.28Å; Q1211-S1223 PolarHBondContact OE1-OG 3.14Å; S1223-H1373 WeakPolarHBondContact CA-O 3.48Å |
| 1224 | V | 78.5 | Confident | 66.1 | Low | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123 | -176.6 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | L1165 A1169 V1209 H1373 V1375 | L1165-V1224 HydrophobicContact CD2-CB 4.03Å; L1165-V1224 HydrophobicContact CD2-CG1 4Å; A1169-V1224 HydrophobicContact CB-CG2 4.45Å; V1209-V1224 HydrophobicContact CG2-CG2 4.46Å; V1224-H1373 PolarHBondContact N-O 3.14Å; V1224-H1373 PolarHBondContact O-N 3.41Å; V1224-V1375 HydrophobicContact CB-CG2 4.27Å; V1224-V1375 HydrophobicContact CG2-CB 4.32Å; V1224-V1375 HydrophobicContact CG2-CG2 3.78Å |
| 1225 | D | 75.3 | Confident | 64.7 | Low | 69 Ų | 69 | 47.4 Ų | 47.4 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 111.5 | -177.7 | -137.6 | -24.9 | 0 | 0 | 0 | 110.5 | R1208 V1372 | R1208-D1225 HydrophobicContact CB-CB 4.21Å; R1208-D1225 VanDerWaalsContact CD-O 3.32Å; R1208-D1225 WeakPolarHBondContact CD-O 3.39Å; R1208-D1225 PolarHBondContact O-N 3.27Å; D1225-V1372 WeakPolarHBondContact OD1-CG2 3.42Å |
| 1226 | L | 69.7 | Low | 63.5 | Low | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.1 | 179.6 | -91.9 | 171.1 | 0 | 0 | 0 | 110.2 | R1161 Y1164 L1165 D1230 G1370 G1371 | R1161-L1226 HydrophobicContact CG-CD1 4.2Å; Y1164-L1226 HydrophobicContact CD1-CD2 3.89Å; Y1164-L1226 HydrophobicContact CE1-CD2 3.73Å; L1165-L1226 HydrophobicContact CD1-CD1 4.26Å; L1165-L1226 HydrophobicContact CD2-CD1 3.69Å; L1165-L1226 HydrophobicContact CD2-CG 4.38Å; L1165-L1226 HydrophobicContact CG-CD1 3.93Å; L1226-D1230 HydrophobicContact CD2-CB 3.73Å; L1226-G1370 CarbonylContact O-C 3.53Å; L1226-G1370 VanDerWaalsContact O-C 3.31Å; L1226-G1370 WeakPolarHBondContact O-CA 3.46Å; L1226-G1371 PolarHBondContact N-O 2.84Å; L1226-G1371 VanDerWaalsContact N-O 3.08Å; L1226-G1371 PolarHBondContact O-N 3.37Å |
| 1227 | L | 60.4 | Low | 62.7 | Low | 86 Ų | 86 | 47 Ų | 47 | 45% | 0.45 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -80 | 159.5 | 165.5 | -68.7 | -174.5 | 0 | 0 | 0 | 111.4 | R1208 Y1229 D1230 | R1208-L1227 VanDerWaalsContact NH2-CD1 3.3Å; L1227-Y1229 PolarHBondContact O-N 3.24Å; L1227-D1230 PolarHBondContact N-OD2 2.8Å; L1227-D1230 PolarHBondContact O-N 2.71Å |
| 1228 | P | 53.3 | Low | 61.8 | Low | 51 Ų | 51 | 46.8 Ų | 46.8 | 33% | 0.331 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 138.9 | 160.6 | -20.3 | 32.8 | 0 | 0 | 0 | 109.5 | D1230 | P1228-D1230 VanDerWaalsContact C-N 3.27Å; P1228-D1230 PolarHBondContact O-N 3.45Å |
| 1229 | Y | 53.9 | Low | 60 | Low | 159 Ų | 159 | 48.9 Ų | 48.9 | 62% | 0.624 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 7.8 | 179.6 | -31.9 | -69.3 | 0 | 0 | 0 | 117.1 | L1227 C1231 S1367 | L1227-Y1229 PolarHBondContact O-N 3.24Å; Y1229-C1231 PolarHBondContact O-N 3.13Å; Y1229-S1367 WeakPolarHBondContact CE1-O 3.12Å |
| 1230 | D | 55.3 | Low | 58.1 | Low | 18 Ų | 18 | 51.4 Ų | 51.4 | 10% | 0.096 | 28% | 0.284 | C | S | . | . | trans | -64.9 | -24.9 | 171.8 | -91.7 | -13.9 | 0 | 0 | 0 | 112.8 | L1202 R1208 L1226 L1227 P1228 | L1202-D1230 VanDerWaalsContact CD1-O 3.32Å; L1202-D1230 WeakPolarHBondContact CD1-O 3.45Å; L1202-D1230 WeakPolarHBondContact CD2-O 3.45Å; R1208-D1230 IonicContact CZ-OD2 2.88Å; R1208-D1230 IonicContact NH1-OD1 2.98Å; R1208-D1230 PolarHBondContact NH1-OD1 3.25Å; R1208-D1230 IonicContact NH1-OD2 3.59Å; R1208-D1230 PolarHBondContact NH1-OD2 2.99Å; L1226-D1230 HydrophobicContact CD2-CB 3.73Å; L1227-D1230 PolarHBondContact N-OD2 2.8Å; L1227-D1230 PolarHBondContact O-N 2.71Å; P1228-D1230 VanDerWaalsContact C-N 3.27Å; P1228-D1230 PolarHBondContact O-N 3.45Å | ||
| 1231 | C | 54.5 | Low | 55.8 | Low | 28 Ų | 28 | 57.8 Ų | 57.8 | 19% | 0.189 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -90.1 | 128.3 | 177.5 | -74.7 | 0 | 0 | 0 | 0 | 111 | Y1229 | Y1229-C1231 PolarHBondContact O-N 3.13Š|
| 1232 | P | 50 | Low | 53.3 | Low | 47 Ų | 47 | 61.9 Ų | 61.9 | 31% | 0.305 | 34% | 0.34 | S | S | . | . | trans | -66.1 | 147.8 | 176 | 28.1 | -34.4 | 0 | 0 | 0 | 111.9 | L1200 G1234 | L1200-P1232 HydrophobicContact CD2-CB 4.09Å; P1232-G1234 PolarHBondContact O-N 3.27Å | ||
| 1233 | P | 46.2 | Very low | 50.6 | Low | 103 Ų | 103 | 67.9 Ų | 67.9 | 67% | 0.669 | 38% | 0.377 | S | S | * | . | trans | -66.8 | 85.1 | 165.4 | 29.9 | -33.4 | 0 | 0 | 0 | 108.5 | ||||
| 1234 | G | 44.2 | Very low | 47.8 | Very low | 22 Ų | 22 | 76.3 Ų | 76.3 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | trans | -64 | 162.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1232 E1236 | P1232-G1234 PolarHBondContact O-N 3.27Å; G1234-E1236 PolarHBondContact O-N 3.36Å | ||
| 1235 | P | 41.1 | Very low | 45.1 | Very low | 58 Ų | 58 | 81.7 Ų | 81.7 | 38% | 0.377 | 45% | 0.445 | S | S | . | . | trans | -53 | 140.6 | 169.7 | 25.3 | -34.6 | 0 | 0 | 0 | 109.6 | F1188 L1237 | F1188-P1235 HydrophobicContact CE1-CG 4.44Å; P1235-L1237 VanDerWaalsContact C-N 3.31Å; P1235-L1237 PolarHBondContact O-N 3.19Å | ||
| 1236 | E | 43.2 | Very low | 42.6 | Very low | 140 Ų | 140 | 83.2 Ų | 83.2 | 65% | 0.654 | 46% | 0.461 | S | S | * | . | trans | -61 | 96.1 | 173.2 | -73.8 | -164.3 | -174.2 | 0 | 0 | 108.6 | G1234 | G1234-E1236 PolarHBondContact O-N 3.36Š| ||
| 1237 | L | 43.6 | Very low | 40.4 | Very low | 26 Ų | 26 | 91.9 Ų | 91.9 | 14% | 0.136 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 129.6 | 168.5 | -82.5 | 165 | 0 | 0 | 0 | 107.4 | P1159 F1188 P1235 K1239 I1258 L1266 | P1159-L1237 HydrophobicContact CB-CD1 3.59Å; P1159-L1237 HydrophobicContact CG-CD1 3.8Å; F1188-L1237 HydrophobicContact CZ-CD1 3.97Å; F1188-L1237 HydrophobicContact CZ-CD2 4.23Å; F1188-L1237 HydrophobicContact CZ-CG 4.3Å; P1235-L1237 VanDerWaalsContact C-N 3.31Å; P1235-L1237 PolarHBondContact O-N 3.19Å; L1237-K1239 PolarHBondContact O-N 2.9Å; L1237-K1239 VanDerWaalsContact O-N 3.09Å; L1237-I1258 HydrophobicContact CD2-CD1 4.17Å; L1237-L1266 HydrophobicContact CD1-CD2 4.05Å; L1237-L1266 HydrophobicContact CD2-CD2 4.19Å |
| 1238 | P | 40.3 | Very low | 38.7 | Very low | 69 Ų | 69 | 91.5 Ų | 91.5 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 121.5 | -164.7 | 19.1 | -32 | 0 | 0 | 0 | 110 | I1258 | P1238-I1258 HydrophobicContact CG-CD1 3.78Š|
| 1239 | K | 36.5 | Very low | 37.3 | Very low | 75 Ų | 75 | 100.1 Ų | 100.1 | 33% | 0.326 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 144.2 | 177.5 | -63.5 | -174.9 | -178.9 | -169.2 | 0 | 108.9 | L1237 L1241 I1362 | L1237-K1239 PolarHBondContact O-N 2.9Å; L1237-K1239 VanDerWaalsContact O-N 3.09Å; K1239-L1241 PolarHBondContact O-N 3.35Å; K1239-I1362 PolarHBondContact NZ-O 3.1Å |
| 1240 | P | 37.5 | Very low | 35.8 | Very low | 69 Ų | 69 | 96.3 Ų | 96.3 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -55 | 117 | 168.9 | 25 | -33.1 | 0 | 0 | 0 | 108 | D1242 | P1240-D1242 PolarHBondContact O-N 3.36Š|
| 1241 | L | 34.1 | Very low | 34.3 | Very low | 145 Ų | 145 | 101.8 Ų | 101.8 | 76% | 0.759 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 121.4 | -176.3 | -89.1 | 159 | 0 | 0 | 0 | 109.8 | K1239 V1243 | K1239-L1241 PolarHBondContact O-N 3.35Å; L1241-V1243 WeakPolarHBondContact O-CG2 3.36Å; L1241-V1243 PolarHBondContact O-N 3.32Å |
| 1242 | D | 33.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 107.9 Ų | 107.9 | 65% | 0.647 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 118.4 | 173.9 | -87.7 | -56.5 | 0 | 0 | 0 | 110.7 | P1240 R1244 | P1240-D1242 PolarHBondContact O-N 3.36Å; D1242-R1244 PolarHBondContact O-N 2.81Å |
| 1243 | V | 28.1 | Very low | 31.7 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -82.1 | 61 | -173.3 | -169.9 | 0 | 0 | 0 | 0 | 110.3 | L1241 | L1241-V1243 WeakPolarHBondContact O-CG2 3.36Å; L1241-V1243 PolarHBondContact O-N 3.32Å |
| 1244 | R | 24.8 | Very low | 30.8 | Very low | 184 Ų | 184 | 114.2 Ų | 114.2 | 69% | 0.694 | 61% | 0.614 | S | S | * | * | trans | -168.3 | 77 | 173.7 | -105.8 | 156.5 | -161.7 | -155.2 | 5.7 | 113.7 | D1242 | D1242-R1244 PolarHBondContact O-N 2.81Š| ||
| 1245 | S | 23 | Very low | 30.1 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 179.8 | 64.5 | 151.2 | 42.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1246 | S | 22.8 | Very low | 29.7 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -168.3 | 122.9 | 152.6 | 22.9 | 0 | 0 | 0 | 0 | 113.6 | S1248 | S1246-S1248 VanDerWaalsContact C-N 3.32Å; S1246-S1248 PolarHBondContact O-N 3.25Å; S1246-S1248 VanDerWaalsContact O-N 3.1Å | ||
| 1247 | N | 22.7 | Very low | 29.4 | Very low | 183 Ų | 183 | 119.5 Ų | 119.5 | 98% | 0.979 | 64% | 0.635 | S | S | * | * | trans | -83.3 | 72.1 | 170.7 | -82.8 | -25.1 | 0 | 0 | 0 | 111.1 | ||||
| 1248 | S | 23.6 | Very low | 29.1 | Very low | 79 Ų | 79 | 121 Ų | 121 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | trans | -158.5 | 103.5 | 169.9 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | S1246 S1250 | S1246-S1248 VanDerWaalsContact C-N 3.32Å; S1246-S1248 PolarHBondContact O-N 3.25Å; S1246-S1248 VanDerWaalsContact O-N 3.1Å; S1248-S1250 PolarHBondContact O-N 3.48Å | ||
| 1249 | F | 24.1 | Very low | 28.8 | Very low | 231 Ų | 231 | 120.5 Ų | 120.5 | 100% | 1.013 | 64% | 0.636 | S | S | * | * | trans | -77.7 | 61.8 | -177.7 | -102.5 | -87 | 0 | 0 | 0 | 113.3 | ||||
| 1250 | S | 23 | Very low | 29 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 56% | 0.559 | 65% | 0.651 | S | S | * | * | trans | -161.6 | 107.8 | 166.9 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | S1248 | S1248-S1250 PolarHBondContact O-N 3.48Š| ||
| 1251 | N | 24.1 | Very low | 29.1 | Very low | 132 Ų | 132 | 119.9 Ų | 119.9 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | 170.3 | 144 | 122.9 | -90.2 | -19.5 | 0 | 0 | 0 | 115.8 | |||||
| 1252 | Q | 24.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 115 Ų | 115 | 73% | 0.734 | 63% | 0.625 | S | S | * | * | trans | 49.9 | 101.9 | 132.1 | -59.4 | 161.6 | -32 | 0 | 0 | 119.3 | T1254 | Q1252-T1254 PolarHBondContact O-N 2.88Š| ||
| 1253 | Y | 26.3 | Very low | 31.1 | Very low | 173 Ų | 173 | 116.3 Ų | 116.3 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | trans | -49.5 | 123.9 | 158.1 | -65.1 | -95.8 | 0 | 0 | 0 | 113.4 | E1255 | Y1253-E1255 VanDerWaalsContact C-N 3.31Å; Y1253-E1255 HydrophobicContact CD1-CB 4.43Å; Y1253-E1255 HydrophobicContact CD1-CG 4.39Å; Y1253-E1255 WeakPolarHBondContact CD1-OE2 3.35Å | ||
| 1254 | T | 25.8 | Very low | 32.9 | Very low | 109 Ų | 109 | 110.9 Ų | 110.9 | 67% | 0.669 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -89.7 | 7.9 | 158.8 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | Q1252 I1256 | Q1252-T1254 PolarHBondContact O-N 2.88Å; T1254-I1256 PolarHBondContact O-N 3.21Å |
| 1255 | E | 30.8 | Very low | 35 | Very low | 85 Ų | 85 | 106.4 Ų | 106.4 | 40% | 0.397 | 58% | 0.58 | S | S | . | * | trans | -66.4 | -13.1 | 174.6 | -78.6 | -166.6 | 109 | 0 | 0 | 113.9 | Y1253 N1259 K1265 | Y1253-E1255 VanDerWaalsContact C-N 3.31Å; Y1253-E1255 HydrophobicContact CD1-CB 4.43Å; Y1253-E1255 HydrophobicContact CD1-CG 4.39Å; Y1253-E1255 WeakPolarHBondContact CD1-OE2 3.35Å; E1255-N1259 PolarHBondContact O-ND2 2.97Å; E1255-K1265 WeakPolarHBondContact OE1-CE 3.46Å; E1255-K1265 IonicContact OE1-NZ 2.79Å; E1255-K1265 PolarHBondContact OE1-NZ 2.78Å; E1255-K1265 IonicContact OE2-NZ 3.99Å | ||
| 1256 | I | 32.8 | Very low | 37.2 | Very low | 113 Ų | 113 | 102.9 Ų | 102.9 | 58% | 0.579 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -77.4 | -49.3 | -159 | -61.5 | 176.1 | 0 | 0 | 0 | 113.4 | T1254 I1258 N1259 A1260 | T1254-I1256 PolarHBondContact O-N 3.21Å; I1256-I1258 PolarHBondContact O-N 3.31Å; I1256-N1259 PolarHBondContact O-N 3.05Å; I1256-A1260 PolarHBondContact O-N 3.37Å |
| 1257 | D | 35.7 | Very low | 39.4 | Very low | 133 Ų | 133 | 99.6 Ų | 99.6 | 71% | 0.711 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -37.9 | -169.5 | -71.8 | -44.4 | 0 | 0 | 0 | 113.8 | A1260 A1261 | D1257-A1260 PolarHBondContact O-N 3.1Å; D1257-A1261 WeakPolarHBondContact O-CB 3.5Å; D1257-A1261 PolarHBondContact O-N 3.21Å |
| 1258 | I | 37.9 | Very low | 41.7 | Very low | 57 Ų | 57 | 93.9 Ų | 93.9 | 29% | 0.292 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.3 | -38.7 | -177.3 | -57.2 | 177.2 | 0 | 0 | 0 | 111.2 | L1237 P1238 I1256 A1260 A1261 L1262 | L1237-I1258 HydrophobicContact CD2-CD1 4.17Å; P1238-I1258 HydrophobicContact CG-CD1 3.78Å; I1256-I1258 PolarHBondContact O-N 3.31Å; I1258-A1260 VanDerWaalsContact C-N 3.28Å; I1258-A1260 PolarHBondContact O-N 2.65Å; I1258-A1261 PolarHBondContact O-N 2.96Å; I1258-L1262 HydrophobicContact CG2-CD1 4.25Å; I1258-L1262 PolarHBondContact O-N 3.28Å |
| 1259 | N | 34.7 | Very low | 43.8 | Very low | 59 Ų | 59 | 91.4 Ų | 91.4 | 32% | 0.316 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -36 | 175 | -78.3 | -71.5 | 0 | 0 | 0 | 111.3 | E1255 I1256 Q1263 | E1255-N1259 PolarHBondContact O-ND2 2.97Å; I1256-N1259 PolarHBondContact O-N 3.05Å; N1259-Q1263 VanDerWaalsContact O-CA 3.31Å; N1259-Q1263 WeakPolarHBondContact O-CA 3.42Å; N1259-Q1263 PolarHBondContact O-N 2.92Å |
| 1260 | A | 39.8 | Very low | 45.7 | Very low | 78 Ų | 78 | 82.2 Ų | 82.2 | 65% | 0.645 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.2 | -40.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1256 D1257 I1258 | I1256-A1260 PolarHBondContact O-N 3.37Å; D1257-A1260 PolarHBondContact O-N 3.1Å; I1258-A1260 VanDerWaalsContact C-N 3.28Å; I1258-A1260 PolarHBondContact O-N 2.65Å |
| 1261 | A | 39.8 | Very low | 48 | Very low | 54 Ų | 54 | 78.4 Ų | 78.4 | 45% | 0.446 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -75.8 | -30.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1191 D1257 I1258 | F1191-A1261 HydrophobicContact CE2-CB 4.4Å; F1191-A1261 HydrophobicContact CZ-CB 4.18Å; D1257-A1261 WeakPolarHBondContact O-CB 3.5Å; D1257-A1261 PolarHBondContact O-N 3.21Å; I1258-A1261 PolarHBondContact O-N 2.96Å |
| 1262 | L | 47.6 | Very low | 49.8 | Very low | 42 Ų | 42 | 77.2 Ų | 77.2 | 22% | 0.22 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -124.3 | -7.6 | -172.5 | -71.7 | 171.9 | 0 | 0 | 0 | 115.3 | T1187 F1188 I1258 M1264 | T1187-L1262 HydrophobicContact CG2-CD2 4.23Å; F1188-L1262 HydrophobicContact CD2-CD1 4.04Å; F1188-L1262 HydrophobicContact CE2-CD1 3.5Å; F1188-L1262 VanDerWaalsContact CE2-CD1 3.5Å; F1188-L1262 HydrophobicContact CZ-CD1 4.08Å; I1258-L1262 HydrophobicContact CG2-CD1 4.25Å; I1258-L1262 PolarHBondContact O-N 3.28Å; L1262-M1264 PolarHBondContact O-N 2.83Å |
| 1263 | Q | 60.7 | Low | 51.8 | Low | 148 Ų | 148 | 72 Ų | 72 | 69% | 0.692 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 54.6 | 18.4 | -176.6 | -58.5 | -170.9 | -6.7 | 0 | 0 | 115.2 | N1259 | N1259-Q1263 VanDerWaalsContact O-CA 3.31Å; N1259-Q1263 WeakPolarHBondContact O-CA 3.42Å; N1259-Q1263 PolarHBondContact O-N 2.92Å |
| 1264 | M | 65.9 | Low | 53.3 | Low | 14 Ų | 14 | 66.8 Ų | 66.8 | 7% | 0.069 | 36% | 0.364 | C | S | . | . | trans | -127.1 | 128.6 | -174.5 | -170.4 | -156.9 | 80.4 | 0 | 0 | 111.2 | V1113 I1114 I1116 L1262 L1266 | V1113-M1264 HydrophobicContact CG1-CG 4.37Å; V1113-M1264 HydrophobicContact CG1-SD 4.14Å; I1114-M1264 WeakPolarHBondContact O-CA 3.35Å; I1116-M1264 HydrophobicContact CB-CE 4.18Å; I1116-M1264 HydrophobicContact CB-SD 4.46Å; I1116-M1264 HydrophobicContact CD1-CE 3.91Å; I1116-M1264 HydrophobicContact CD1-SD 3.6Å; I1116-M1264 VanDerWaalsContact CD1-SD 3.6Å; I1116-M1264 HydrophobicContact CG1-CE 4.05Å; I1116-M1264 HydrophobicContact CG1-SD 3.73Å; L1262-M1264 PolarHBondContact O-N 2.83Å; M1264-L1266 HydrophobicContact CE-CB 4.46Å; M1264-L1266 HydrophobicContact CE-CD1 4.37Å | ||
| 1265 | K | 69.3 | Low | 54.4 | Low | 90 Ų | 90 | 65.2 Ų | 65.2 | 39% | 0.391 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 116.3 | 177.5 | -174.6 | 157.2 | -172.5 | 143.7 | 0 | 112 | I1114 R1115 I1116 E1255 | I1114-K1265 PolarHBondContact O-N 3.07Å; R1115-K1265 WeakPolarHBondContact CA-O 3.37Å; R1115-K1265 WeakPolarHBondContact CG-O 3.33Å; I1116-K1265 PolarHBondContact N-O 3.32Å; E1255-K1265 WeakPolarHBondContact OE1-CE 3.46Å; E1255-K1265 IonicContact OE1-NZ 2.79Å; E1255-K1265 PolarHBondContact OE1-NZ 2.78Å; E1255-K1265 IonicContact OE2-NZ 3.99Å |
| 1266 | L | 69.1 | Low | 54.9 | Low | 42 Ų | 42 | 70.2 Ų | 70.2 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 138.3 | 169.9 | -166.6 | 62.1 | 0 | 0 | 0 | 110 | I1116 P1159 L1237 M1264 Y1268 | I1116-L1266 HydrophobicContact CB-CD1 3.9Å; I1116-L1266 HydrophobicContact CG2-CD1 3.86Å; I1116-L1266 CarbonylContact O-C 3.59Å; P1159-L1266 HydrophobicContact CB-CD2 4.42Å; P1159-L1266 HydrophobicContact CG-CD2 4.39Å; L1237-L1266 HydrophobicContact CD1-CD2 4.05Å; L1237-L1266 HydrophobicContact CD2-CD2 4.19Å; M1264-L1266 HydrophobicContact CE-CB 4.46Å; M1264-L1266 HydrophobicContact CE-CD1 4.37Å; L1266-Y1268 HydrophobicContact CD2-CE1 4.28Å; L1266-Y1268 HydrophobicContact CD2-CE2 4.34Å; L1266-Y1268 WeakPolarHBondContact CD2-OH 3.18Å; L1266-Y1268 HydrophobicContact CG-CE1 4.48Å |
| 1267 | T | 70.4 | Confident | 54.8 | Low | 33 Ų | 33 | 72.3 Ų | 72.3 | 20% | 0.202 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.8 | 178.3 | -32.2 | 0 | 0 | 0 | 0 | 109.9 | R1115 I1116 V1117 M1118 | R1115-T1267 PolarHBondContact NE-OG1 2.7Å; I1116-T1267 PolarHBondContact O-N 3.06Å; I1116-T1267 PolarHBondContact O-OG1 3.47Å; V1117-T1267 CarbonylContact C-O 3.58Å; V1117-T1267 WeakPolarHBondContact CA-O 3.22Å; M1118-T1267 PolarHBondContact N-O 2.81Å |
| 1268 | Y | 69.9 | Low | 54.4 | Low | 63 Ų | 63 | 70.1 Ų | 70.1 | 25% | 0.247 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 140.1 | 172 | -58.7 | -65.2 | 0 | 0 | 0 | 110 | M1118 I1120 P1159 L1266 | M1118-Y1268 HydrophobicContact CB-CD1 4.33Å; M1118-Y1268 HydrophobicContact CE-CE1 4.25Å; I1120-Y1268 HydrophobicContact CD1-CD1 3.49Å; I1120-Y1268 VanDerWaalsContact CD1-CD1 3.49Å; I1120-Y1268 HydrophobicContact CD1-CE1 4.08Å; I1120-Y1268 HydrophobicContact CD1-CG 4.04Å; I1120-Y1268 HydrophobicContact CG1-CD1 4.42Å; P1159-Y1268 HydrophobicContact CG-CE1 4.19Å; P1159-Y1268 WeakPolarHBondContact CG-OH 3.31Å; L1266-Y1268 HydrophobicContact CD2-CE1 4.28Å; L1266-Y1268 HydrophobicContact CD2-CE2 4.34Å; L1266-Y1268 WeakPolarHBondContact CD2-OH 3.18Å; L1266-Y1268 HydrophobicContact CG-CE1 4.48Å |
| 1269 | V | 68.7 | Low | 53.8 | Low | 27 Ų | 27 | 73.2 Ų | 73.2 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 126.3 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | V1117 M1118 F1119 I1120 I1393 | V1117-V1269 HydrophobicContact CG1-CG2 3.72Å; M1118-V1269 PolarHBondContact O-N 2.97Å; F1119-V1269 WeakPolarHBondContact CA-O 3.44Å; F1119-V1269 HydrophobicContact CD1-CB 3.94Å; F1119-V1269 HydrophobicContact CD1-CG1 4.14Å; F1119-V1269 HydrophobicContact CE1-CB 4.01Å; F1119-V1269 HydrophobicContact CE1-CG1 4.05Å; I1120-V1269 PolarHBondContact N-O 2.9Å; V1269-I1393 HydrophobicContact CG1-CB 4.43Å; V1269-I1393 HydrophobicContact CG1-CD1 4.28Å; V1269-I1393 HydrophobicContact CG1-CG1 3.97Å; V1269-I1393 HydrophobicContact CG1-CG2 3.71Å |
| 1270 | S | 64.1 | Low | 53.4 | Low | 38 Ų | 38 | 75.5 Ų | 75.5 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 140.7 | 178 | -167.7 | 0 | 0 | 0 | 0 | 111.6 | I1120 L1394 | I1120-S1270 VanDerWaalsContact O-CA 3.29Å; I1120-S1270 WeakPolarHBondContact O-CA 3.18Å; S1270-L1394 PolarHBondContact O-N 3.3Å |
| 1271 | C | 69.6 | Low | 52.8 | Low | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 165.5 | -173.7 | 57 | 0 | 0 | 0 | 0 | 113.5 | F1119 I1120 P1121 W1273 P1391 I1392 | F1119-C1271 VanDerWaalsContact CB-SG 3.57Å; I1120-C1271 PolarHBondContact O-N 3.43Å; P1121-C1271 WeakPolarHBondContact CA-O 3.48Å; C1271-W1273 WeakPolarHBondContact SG-CH2 3.14Å; C1271-P1391 HydrophobicContact CB-CB 3.75Å; C1271-I1392 CarbonylContact C-O 3.55Å; C1271-I1392 WeakPolarHBondContact CA-O 3.44Å; C1271-I1392 WeakPolarHBondContact CB-O 3.49Å |
| 1272 | M | 62 | Low | 52.2 | Low | 107 Ų | 107 | 82.4 Ų | 82.4 | 53% | 0.527 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 153.5 | 167.3 | -76.6 | 168.8 | 75.5 | 0 | 0 | 110.8 | P1391 I1392 L1394 | M1272-P1391 WeakPolarHBondContact O-CA 3.29Å; M1272-I1392 PolarHBondContact N-O 2.95Å; M1272-I1392 PolarHBondContact O-N 3.44Å; M1272-L1394 HydrophobicContact CG-CD1 3.86Å; M1272-L1394 HydrophobicContact CG-CG 4.39Å; M1272-L1394 HydrophobicContact SD-CD1 4.06Å; M1272-L1394 HydrophobicContact SD-CD2 4.2Å |
| 1273 | W | 67 | Low | 51.1 | Low | 47 Ų | 47 | 87.6 Ų | 87.6 | 18% | 0.178 | 46% | 0.462 | C | S | . | . | trans | -116 | 133.2 | 171.8 | -62.4 | -99.5 | 0 | 0 | 0 | 109.4 | F1119 P1121 C1271 I1389 P1391 I1440 L1441 | F1119-W1273 HydrophobicContact CB-CH2 4.17Å; F1119-W1273 HydrophobicContact CB-CZ2 3.67Å; P1121-W1273 HydrophobicContact CB-CZ3 4.13Å; P1121-W1273 HydrophobicContact CG-CZ3 4.47Å; C1271-W1273 WeakPolarHBondContact SG-CH2 3.14Å; W1273-I1389 HydrophobicContact CB-CG2 4.15Å; W1273-P1391 HydrophobicContact CD2-CB 4.46Å; W1273-P1391 HydrophobicContact CZ2-CB 4.48Å; W1273-I1440 VanDerWaalsContact CD1-CG2 3.42Å; W1273-I1440 HydrophobicContact CD2-CG2 4.28Å; W1273-I1440 HydrophobicContact CG-CG2 4.02Å; W1273-I1440 VanDerWaalsContact NE1-CG2 3.25Å; W1273-L1441 PolarHBondContact NE1-O 3.38Å; W1273-L1441 VanDerWaalsContact NE1-O 3.07Å | ||
| 1274 | P | 58.2 | Low | 49.5 | Very low | 64 Ų | 64 | 86.8 Ų | 86.8 | 42% | 0.416 | 46% | 0.462 | S | S | . | . | trans | -67.8 | 134.7 | -178.7 | 26.6 | -34.5 | 0 | 0 | 0 | 112 | I1389 | P1274-I1389 HydrophobicContact CG-CG2 3.92Š| ||
| 1275 | T | 48.4 | Very low | 47.6 | Very low | 76 Ų | 76 | 92.4 Ų | 92.4 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | trans | -85.1 | 145.8 | -179.9 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | N1277 T1278 | T1275-N1277 PolarHBondContact O-N 2.85Å; T1275-T1278 PolarHBondContact O-N 2.93Å; T1275-T1278 PolarHBondContact O-OG1 2.98Å | ||
| 1276 | K | 40.9 | Very low | 45.4 | Very low | 190 Ų | 190 | 96.1 Ų | 96.1 | 83% | 0.826 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -9.5 | -173.7 | -75.2 | -177.4 | 174.9 | 175.9 | 0 | 117.2 | ||
| 1277 | N | 30.9 | Very low | 43.2 | Very low | 157 Ų | 157 | 97.4 Ų | 97.4 | 84% | 0.84 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | 2.1 | -177.6 | -71.8 | 13.1 | 0 | 0 | 0 | 114.5 | T1275 | T1275-N1277 PolarHBondContact O-N 2.85Š|
| 1278 | T | 26.9 | Very low | 41 | Very low | 86 Ų | 86 | 103.6 Ų | 103.6 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -66 | 130.4 | 164.1 | 53 | 0 | 0 | 0 | 0 | 109 | T1275 T1280 | T1275-T1278 PolarHBondContact O-N 2.93Å; T1275-T1278 PolarHBondContact O-OG1 2.98Å; T1278-T1280 PolarHBondContact O-N 2.98Å |
| 1279 | P | 26 | Very low | 38.9 | Very low | 123 Ų | 123 | 110 Ų | 110 | 80% | 0.799 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 140.4 | 177.1 | 25.3 | -34 | 0 | 0 | 0 | 109.8 | M1281 | P1279-M1281 PolarHBondContact O-N 3.22Š|
| 1280 | T | 25.8 | Very low | 36.8 | Very low | 106 Ų | 106 | 115.8 Ų | 115.8 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 120.8 | -161.8 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | T1278 N1282 | T1278-T1280 PolarHBondContact O-N 2.98Å; T1280-N1282 PolarHBondContact O-N 3.35Å |
| 1281 | M | 28.6 | Very low | 34.8 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | trans | -69.6 | 34.8 | 161.1 | -105.8 | -71.8 | 180 | 0 | 0 | 112.4 | P1279 N1283 L1284 | P1279-M1281 PolarHBondContact O-N 3.22Å; M1281-N1283 PolarHBondContact O-N 2.63Å; M1281-L1284 HydrophobicContact CE-CD1 4.16Å; M1281-L1284 HydrophobicContact SD-CB 4.3Å; M1281-L1284 HydrophobicContact SD-CD1 3.94Å | ||
| 1282 | N | 26.1 | Very low | 32.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 68% | 0.684 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 51.5 | 171.9 | -73.6 | -6.2 | 0 | 0 | 0 | 110.4 | T1280 | T1280-N1282 PolarHBondContact O-N 3.35Š|
| 1283 | N | 25.6 | Very low | 30.8 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.6 | 24.4 | 175 | -104 | -18 | 0 | 0 | 0 | 112.5 | M1281 | M1281-N1283 PolarHBondContact O-N 2.63Š|
| 1284 | L | 25.3 | Very low | 28.8 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 69% | 0.686 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -141.8 | 16.9 | -179.7 | -113.2 | 163.3 | 0 | 0 | 0 | 116.1 | M1281 | M1281-L1284 HydrophobicContact CE-CD1 4.16Å; M1281-L1284 HydrophobicContact SD-CB 4.3Å; M1281-L1284 HydrophobicContact SD-CD1 3.94Å |
| 1285 | V | 26.7 | Very low | 27.1 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -147.1 | 82.2 | 151.2 | -172.9 | 0 | 0 | 0 | 0 | 109 | ||
| 1286 | N | 22.5 | Very low | 26.1 | Very low | 168 Ų | 168 | 141 Ų | 141 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | -153.6 | 100.2 | 163.9 | -105.3 | -19 | 0 | 0 | 0 | 107.2 | ||||
| 1287 | G | 23.9 | Very low | 25.2 | Very low | 69 Ų | 69 | 141.9 Ų | 141.9 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 163.9 | 94.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1288 | D | 23 | Very low | 24.8 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -177.5 | 71.4 | 144.4 | -89.9 | -10.4 | 0 | 0 | 0 | 106.4 | ||||
| 1289 | H | 26 | Very low | 24.7 | Very low | 197 Ų | 197 | 144.7 Ų | 144.7 | 91% | 0.912 | 77% | 0.767 | S | S | * | * | trans | -117.2 | 106.8 | 161.9 | -106.9 | -59.7 | 0 | 0 | 0 | 105.9 | ||||
| 1290 | D | 24.7 | Very low | 24.5 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | -68.3 | 139 | -175.3 | -74.2 | -46.3 | 0 | 0 | 0 | 113 | ||||
| 1291 | E | 23.3 | Very low | 24.4 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 37 | 109.9 | 149.8 | -55.4 | -169.7 | 146.7 | 0 | 0 | 119.8 | ||||
| 1292 | L | 24.7 | Very low | 24.2 | Very low | 144 Ų | 144 | 147.5 Ų | 147.5 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | -161.8 | 144.6 | 96.9 | -131.1 | 81.1 | 0 | 0 | 0 | 112.8 | |||||
| 1293 | N | 23.1 | Very low | 24 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | 40.7 | 126 | 150.7 | -68.8 | 4.2 | 0 | 0 | 0 | 119.5 | ||||
| 1294 | N | 24 | Very low | 24 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | cis | -165.3 | 154.3 | 24.2 | -100.2 | -23.4 | 0 | 0 | 0 | 111.4 | ||||
| 1295 | N | 23.6 | Very low | 23.8 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | 44.1 | 98.3 | 145.9 | -53.2 | -13.8 | 0 | 0 | 0 | 118.7 | ||||
| 1296 | N | 27.3 | Very low | 23.6 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | -163.3 | 121.3 | 92.1 | -92.2 | -19.6 | 0 | 0 | 0 | 112.4 | |||||
| 1297 | F | 20.7 | Very low | 23.6 | Very low | 209 Ų | 209 | 146.5 Ų | 146.5 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | trans | -92.7 | 122.1 | 165.5 | -130.7 | -98.6 | 0 | 0 | 0 | 107.1 | ||||
| 1298 | E | 23.3 | Very low | 23.5 | Very low | 150 Ų | 150 | 148 Ų | 148 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 175.6 | 150.2 | 139 | -104.8 | -172.4 | -157.6 | 0 | 0 | 112.4 | ||||
| 1299 | K | 24.1 | Very low | 23.4 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 67% | 0.665 | 76% | 0.756 | S | S | * | * | trans | 45.6 | 110.4 | 161.6 | -57.3 | -179.6 | -178.5 | 97.5 | 0 | 116.2 | ||||
| 1300 | F | 23.4 | Very low | 23.3 | Very low | 168 Ų | 168 | 145.8 Ų | 145.8 | 74% | 0.737 | 75% | 0.754 | S | S | * | * | -149.1 | 120.3 | 82.8 | -128.5 | -104.4 | 0 | 0 | 0 | 112.6 | D1302 | F1300-D1302 WeakPolarHBondContact CD1-O 3.42Å; F1300-D1302 HydrophobicContact CE1-CB 4.26Å; F1300-D1302 VanDerWaalsContact CE1-O 3.27Å; F1300-D1302 WeakPolarHBondContact CE1-O 3.17Å | |||
| 1301 | N | 22 | Very low | 23.2 | Very low | 166 Ų | 166 | 149 Ų | 149 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -144.7 | 58.6 | 161.1 | -159.3 | 24.4 | 0 | 0 | 0 | 108.1 | ||||
| 1302 | D | 24.6 | Very low | 23.4 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | trans | -138.1 | 149.8 | 178.8 | -87.7 | -57.2 | 0 | 0 | 0 | 107.7 | F1300 | F1300-D1302 WeakPolarHBondContact CD1-O 3.42Å; F1300-D1302 HydrophobicContact CE1-CB 4.26Å; F1300-D1302 VanDerWaalsContact CE1-O 3.27Å; F1300-D1302 WeakPolarHBondContact CE1-O 3.17Å | ||
| 1303 | L | 23.4 | Very low | 23.4 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 36.9 | 94.4 | 153.1 | -56.9 | 170.4 | 0 | 0 | 0 | 115.9 | ||||
| 1304 | L | 23.9 | Very low | 23.4 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | cis | 58.1 | 122.4 | 46.2 | -132 | 180 | 0 | 0 | 0 | 112.7 | ||||
| 1305 | S | 21.3 | Very low | 23.4 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | 77.1 | 146.3 | 174.8 | 78.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1306 | N | 23.6 | Very low | 23.4 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | 69.1 | 147.4 | 162.5 | -54 | -32.8 | 0 | 0 | 0 | 117.9 | ||||
| 1307 | Q | 21.9 | Very low | 23.2 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | cis | -164.7 | 174.3 | -22.4 | -118.7 | 172.1 | -1.7 | 0 | 0 | 108.5 | ||||
| 1308 | S | 21.5 | Very low | 23.3 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 35.8 | 111.1 | 156.3 | 58.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1309 | M | 21.3 | Very low | 23.2 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | 38.5 | 112.6 | 82.7 | -80.1 | -163.4 | 171.1 | 0 | 0 | 117 | |||||
| 1310 | T | 23.6 | Very low | 23.2 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 87% | 0.871 | 76% | 0.756 | S | S | * | * | trans | -150.3 | 115.1 | 136.4 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1311 | Y | 22.9 | Very low | 23.2 | Very low | 215 Ų | 215 | 136.2 Ų | 136.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 156 | 157.1 | -74.5 | -98 | 0 | 0 | 0 | 109 | ||
| 1312 | P | 28 | Very low | 23.2 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 132.5 | 153.6 | 8.7 | 8.5 | 0 | 0 | 0 | 110.3 | ||
| 1313 | A | 23.2 | Very low | 23.2 | Very low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 172.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1314 | S | 24.2 | Very low | 23.2 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | cis | -153.4 | 154.3 | 19.8 | 50.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1315 | S | 22.9 | Very low | 23.1 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | cis | -170.7 | -178.5 | 2 | 36.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1316 | H | 24.4 | Very low | 23.1 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | cis | -153.8 | 165.9 | 17.3 | -103.6 | -86.4 | 0 | 0 | 0 | 107.5 | ||||
| 1317 | S | 22.7 | Very low | 22.9 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | cis | -175.7 | 128.1 | -35.7 | 54.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1318 | T | 22.9 | Very low | 22.9 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | 67.5 | 156.2 | 158.9 | 68.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1319 | V | 22.3 | Very low | 22.9 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | cis | -135.9 | 165.4 | 14.4 | -176.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 1320 | N | 23.4 | Very low | 22.8 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | trans | -123.9 | 161.6 | 176.7 | -56.9 | -36.7 | 0 | 0 | 0 | 112.7 | ||||
| 1321 | E | 24.1 | Very low | 22.6 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 90% | 0.897 | 73% | 0.731 | S | S | * | * | trans | -170.8 | 144.3 | 147.5 | -107.6 | 156.6 | -159.2 | 0 | 0 | 108.4 | ||||
| 1322 | L | 21.7 | Very low | 22.5 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | cis | 112.9 | 126 | 0.1 | -155.7 | 158 | 0 | 0 | 0 | 114.6 | ||||
| 1323 | D | 24.9 | Very low | 22.1 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -143.6 | 155.5 | -162.8 | -171.4 | 16.7 | 0 | 0 | 0 | 113.9 | ||||
| 1324 | N | 22.2 | Very low | 22.1 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | trans | -175.5 | 137 | 175.9 | -102.1 | -33.6 | 0 | 0 | 0 | 117.8 | ||||
| 1325 | Y | 21.6 | Very low | 22.1 | Very low | 182 Ų | 182 | 131.2 Ų | 131.2 | 71% | 0.714 | 72% | 0.72 | S | S | * | * | trans | 76.3 | 112.6 | 145.6 | -84.7 | -115.6 | 0 | 0 | 0 | 125.2 | ||||
| 1326 | Q | 21.5 | Very low | 22 | Very low | 107 Ų | 107 | 133 Ų | 133 | 50% | 0.5 | 72% | 0.722 | S | S | . | * | 75 | 132.8 | 121.3 | -82.2 | -165.2 | 2.5 | 0 | 0 | 126.1 | |||||
| 1327 | V | 20.6 | Very low | 21.9 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 42% | 0.418 | 72% | 0.722 | S | S | . | * | 101.7 | 98.1 | 121.8 | 161.7 | 0 | 0 | 0 | 0 | 123.8 | G1402 R1403 | V1327-G1402 WeakPolarHBondContact CA-O 3.35Å; V1327-G1402 PolarHBondContact N-O 2.9Å; V1327-R1403 HydrophobicContact CB-CG 4.31Å; V1327-R1403 HydrophobicContact CG2-CG 3.56Å | |||
| 1328 | L | 20 | Very low | 21.9 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | trans | 112.3 | 151.5 | 154.8 | -164.5 | -169.7 | 0 | 0 | 0 | 117.8 | ||||
| 1329 | G | 21.6 | Very low | 21.8 | Very low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | cis | 151.8 | 147.4 | -17.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1330 | D | 20.3 | Very low | 21.8 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | trans | 73.8 | 136.4 | 160.3 | -88.3 | -33.9 | 0 | 0 | 0 | 127.9 | ||||
| 1331 | C | 19.6 | Very low | 21.8 | Very low | 110 Ų | 110 | 136 Ų | 136 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | trans | 69.9 | 111.7 | 145.3 | -75.6 | 0 | 0 | 0 | 0 | 128.9 | ||||
| 1332 | K | 20.7 | Very low | 21.8 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | 60 | 118.9 | 126.8 | -78.9 | -172.9 | 165.9 | -106.9 | 0 | 127.3 | |||||
| 1333 | E | 20.3 | Very low | 21.9 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 71% | 0.71 | 70% | 0.701 | S | S | * | * | 52.9 | 116.2 | 123.8 | -63.5 | -177.8 | 114 | 0 | 0 | 125.5 | |||||
| 1334 | S | 22.2 | Very low | 21.9 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | 116.2 | 127.9 | 119.4 | 76.3 | 0 | 0 | 0 | 0 | 124 | |||||
| 1335 | V | 23.6 | Very low | 22 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 76% | 0.758 | 70% | 0.697 | S | S | * | * | trans | 88.7 | 106.1 | 135 | 168.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1336 | N | 21.8 | Very low | 22.1 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | trans | 78.5 | 126.7 | 135.6 | -85 | -32.8 | 0 | 0 | 0 | 127.7 | ||||
| 1337 | R | 22.2 | Very low | 22.2 | Very low | 206 Ų | 206 | 128.1 Ų | 128.1 | 78% | 0.777 | 71% | 0.712 | S | S | * | * | 85.8 | 103.6 | 128.3 | -74.9 | 177.5 | -178.6 | -164.5 | 0.6 | 124.7 | |||||
| 1338 | K | 21.7 | Very low | 22.4 | Very low | 176 Ų | 176 | 134 Ų | 134 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | 75.2 | 121.5 | 114.1 | -74.1 | -163.9 | 173.3 | -169.6 | 0 | 124.3 | |||||
| 1339 | N | 21.3 | Very low | 22.6 | Very low | 128 Ų | 128 | 138 Ų | 138 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | 87.8 | 105.4 | 124.5 | -74 | 38.6 | 0 | 0 | 0 | 123.8 | |||||
| 1340 | S | 22.5 | Very low | 22.6 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | 56.8 | 140.9 | 120.5 | 71.2 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1341 | T | 23 | Very low | 22.7 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | -172.1 | 155.6 | 50.4 | 43.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1342 | N | 23.8 | Very low | 23 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 69.7 | 150.9 | 142.4 | -65.4 | 3 | 0 | 0 | 0 | 120.2 | ||||
| 1343 | N | 24.4 | Very low | 23 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | cis | -166.8 | 170.6 | -0.6 | -123.3 | -8.3 | 0 | 0 | 0 | 115.4 | ||||
| 1344 | V | 25.6 | Very low | 23.1 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | trans | 73.6 | 138.3 | 143.5 | 157.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1345 | I | 23.3 | Very low | 23.1 | Very low | 136 Ų | 136 | 157 Ų | 157 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | cis | -162.6 | 165.3 | -11.4 | -116.9 | 171.8 | 0 | 0 | 0 | 111.9 | ||||
| 1346 | T | 23.4 | Very low | 23.1 | Very low | 128 Ų | 128 | 159.7 Ų | 159.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 66 | 144.4 | 169.3 | 36.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1347 | S | 24.1 | Very low | 23.1 | Very low | 105 Ų | 105 | 160.9 Ų | 160.9 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | cis | -139.5 | 169.6 | 8.2 | -83.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1348 | Q | 24.3 | Very low | 23.2 | Very low | 193 Ų | 193 | 154.4 Ų | 154.4 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | 54.2 | 95.5 | 170.9 | -70.5 | -171.4 | -12.7 | 0 | 0 | 118 | ||||
| 1349 | K | 24.6 | Very low | 23.3 | Very low | 215 Ų | 215 | 150.9 Ų | 150.9 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | -137 | 96.1 | 150.7 | -89.1 | -167 | 172.8 | -176.4 | 0 | 110.6 | ||||
| 1350 | Q | 21.9 | Very low | 23.6 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -144 | 44.3 | 176.5 | -157.8 | 179.9 | 5.3 | 0 | 0 | 112.4 | ||||
| 1351 | Q | 23.1 | Very low | 23.7 | Very low | 188 Ų | 188 | 156.8 Ų | 156.8 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | trans | -154.1 | 165.2 | 166.4 | -106 | 162.3 | 14.8 | 0 | 0 | 108.5 | ||||
| 1352 | Q | 24.6 | Very low | 24.1 | Very low | 189 Ų | 189 | 154.5 Ų | 154.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 61.4 | 74.5 | -171.4 | -65.4 | -179.3 | -19.1 | 0 | 0 | 115.1 | ||||
| 1353 | R | 20.7 | Very low | 24.3 | Very low | 235 Ų | 235 | 153.9 Ų | 153.9 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | -73.3 | 167 | 130.3 | -71.7 | 179.4 | 173.5 | 173.2 | -2.9 | 108.3 | ||||
| 1354 | H | 22.7 | Very low | 24.8 | Very low | 172 Ų | 172 | 151 Ų | 151 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | 77.9 | 159.4 | -166.1 | -56.9 | -94.3 | 0 | 0 | 0 | 114.3 | ||||
| 1355 | F | 22.8 | Very low | 25.2 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 82% | 0.82 | 75% | 0.746 | S | S | * | * | trans | 66.1 | 63.2 | -174.9 | -68 | -82.2 | 0 | 0 | 0 | 117.3 | ||||
| 1356 | L | 24 | Very low | 26 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 96% | 0.958 | 72% | 0.724 | S | S | * | * | trans | -123.9 | 37.4 | 138.6 | -92.1 | 174 | 0 | 0 | 0 | 111.3 | ||||
| 1357 | N | 22.1 | Very low | 26.9 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | trans | -97.6 | 124.7 | 154.1 | -87.5 | -4.3 | 0 | 0 | 0 | 106.5 | ||||
| 1358 | G | 23.5 | Very low | 27.7 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | trans | -174.3 | 34.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1359 | S | 24.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | -68.5 | 129.2 | 149.3 | 43.4 | 0 | 0 | 0 | 0 | 106.9 | R1361 | S1359-R1361 PolarHBondContact O-N 3.48Š| ||
| 1360 | E | 26.8 | Very low | 30.2 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 92% | 0.916 | 66% | 0.66 | S | S | * | * | trans | -72.1 | 80.8 | 172 | -77 | 178.8 | 147.1 | 0 | 0 | 108.6 | I1362 | E1360-I1362 PolarHBondContact O-N 2.85Š| ||
| 1361 | R | 25.5 | Very low | 32.4 | Very low | 152 Ų | 152 | 121.7 Ų | 121.7 | 57% | 0.574 | 63% | 0.63 | S | S | * | * | trans | -75.3 | 95.8 | -178.2 | -163.8 | -176.4 | -163.9 | -160.9 | 15.8 | 106.2 | S1359 E1363 | S1359-R1361 PolarHBondContact O-N 3.48Å; R1361-E1363 HydrophobicContact CB-CG 4.26Å; R1361-E1363 WeakPolarHBondContact CD-OE1 3.36Å; R1361-E1363 HydrophobicContact CG-CG 3.81Å; R1361-E1363 IonicContact CZ-OE1 3.58Å; R1361-E1363 IonicContact NE-OE1 3.77Å; R1361-E1363 IonicContact NH1-OE1 2.73Å; R1361-E1363 PolarHBondContact NH1-OE1 3.37Å; R1361-E1363 PolarHBondContact O-N 3.15Å | ||
| 1362 | I | 29.8 | Very low | 34.8 | Very low | 64 Ų | 64 | 116.8 Ų | 116.8 | 33% | 0.328 | 61% | 0.613 | S | S | . | * | trans | -56.8 | 94.7 | 157.2 | -57.9 | 175.9 | 0 | 0 | 0 | 106 | K1239 E1360 W1364 | K1239-I1362 PolarHBondContact NZ-O 3.1Å; E1360-I1362 PolarHBondContact O-N 2.85Å; I1362-W1364 PolarHBondContact O-N 3Å | ||
| 1363 | E | 28.6 | Very low | 37.3 | Very low | 123 Ų | 123 | 109 Ų | 109 | 58% | 0.575 | 58% | 0.576 | S | S | * | * | trans | -78.6 | 114.4 | 173 | -68.8 | -162.2 | 149.8 | 0 | 0 | 106.9 | R1361 A1365 | R1361-E1363 HydrophobicContact CB-CG 4.26Å; R1361-E1363 WeakPolarHBondContact CD-OE1 3.36Å; R1361-E1363 HydrophobicContact CG-CG 3.81Å; R1361-E1363 IonicContact CZ-OE1 3.58Å; R1361-E1363 IonicContact NE-OE1 3.77Å; R1361-E1363 IonicContact NH1-OE1 2.73Å; R1361-E1363 PolarHBondContact NH1-OE1 3.37Å; R1361-E1363 PolarHBondContact O-N 3.15Å; E1363-A1365 PolarHBondContact O-N 3.03Å; E1363-A1365 VanDerWaalsContact O-N 3.1Å | ||
| 1364 | W | 34.4 | Very low | 40.3 | Very low | 68 Ų | 68 | 99 Ų | 99 | 26% | 0.258 | 54% | 0.542 | S | S | . | . | trans | -61.4 | 114.6 | 167.3 | -62 | 60.6 | 0 | 0 | 0 | 104.4 | I1120 N1156 I1157 I1362 D1366 | I1120-W1364 HydrophobicContact CD1-CH2 4.38Å; N1156-W1364 VanDerWaalsContact C-CE3 3.45Å; N1156-W1364 VanDerWaalsContact CA-CE3 3.47Å; N1156-W1364 HydrophobicContact CB-CB 3.98Å; N1156-W1364 HydrophobicContact CB-CD2 3.76Å; N1156-W1364 HydrophobicContact CB-CE3 3.46Å; N1156-W1364 VanDerWaalsContact CB-CE3 3.46Å; N1156-W1364 HydrophobicContact CB-CG 4.05Å; N1156-W1364 HydrophobicContact CB-CZ3 4.03Å; I1157-W1364 VanDerWaalsContact O-CZ3 3.29Å; I1157-W1364 WeakPolarHBondContact O-CZ3 3.48Å; I1362-W1364 PolarHBondContact O-N 3Å; W1364-D1366 PolarHBondContact O-N 2.82Å | ||
| 1365 | A | 34.2 | Very low | 43.3 | Very low | 68 Ų | 68 | 90.9 Ų | 90.9 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -74.8 | 33.8 | -154.5 | 0 | 0 | 0 | 0 | 0 | 115 | E1363 | E1363-A1365 PolarHBondContact O-N 3.03Å; E1363-A1365 VanDerWaalsContact O-N 3.1Å |
| 1366 | D | 40.7 | Very low | 46.4 | Very low | 42 Ų | 42 | 82 Ų | 82 | 23% | 0.225 | 47% | 0.466 | C | S | . | . | trans | -130.1 | 13.8 | -138 | -142.7 | 47.1 | 0 | 0 | 0 | 112.4 | R1161 W1364 | R1161-D1366 WeakPolarHBondContact CD-OD2 3.46Å; R1161-D1366 IonicContact CZ-OD2 3.4Å; R1161-D1366 VanDerWaalsContact CZ-OD2 3.28Å; R1161-D1366 IonicContact NE-OD2 2.73Å; R1161-D1366 PolarHBondContact NE-OD2 3.21Å; R1161-D1366 PolarHBondContact NH1-O 3.26Å; R1161-D1366 IonicContact NH1-OD1 3.03Å; R1161-D1366 IonicContact NH1-OD2 2.67Å; R1161-D1366 PolarHBondContact NH1-OD2 2.83Å; W1364-D1366 PolarHBondContact O-N 2.82Å | ||
| 1367 | S | 41.7 | Very low | 49.4 | Very low | 72 Ų | 72 | 73.5 Ų | 73.5 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -84.8 | -27.9 | 172.4 | 56 | 0 | 0 | 0 | 0 | 113.5 | Y1229 | Y1229-S1367 WeakPolarHBondContact CE1-O 3.12Š|
| 1368 | T | 40.5 | Very low | 52.4 | Low | 91 Ų | 91 | 66.6 Ų | 66.6 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -103.5 | -13.2 | -166.9 | 55 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1369 | K | 47.9 | Very low | 55.3 | Low | 135 Ų | 135 | 65.7 Ų | 65.7 | 59% | 0.587 | 37% | 0.365 | S | S | * | . | trans | -109.3 | 108 | 179 | -73 | -177.6 | 179.3 | 176.5 | 0 | 112.1 | R1161 | R1161-K1369 PolarHBondContact NH2-O 3.27Š| ||
| 1370 | G | 55.2 | Low | 57.9 | Low | 35 Ų | 35 | 65.2 Ų | 65.2 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | trans | -86.4 | 163.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1226 | L1226-G1370 CarbonylContact O-C 3.53Å; L1226-G1370 VanDerWaalsContact O-C 3.31Å; L1226-G1370 WeakPolarHBondContact O-CA 3.46Å | ||
| 1371 | G | 67.5 | Low | 60.2 | Low | 28 Ų | 28 | 58 Ų | 58 | 29% | 0.289 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.9 | 166.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1226 | L1226-G1371 PolarHBondContact N-O 2.84Å; L1226-G1371 VanDerWaalsContact N-O 3.08Å; L1226-G1371 PolarHBondContact O-N 3.37Å |
| 1372 | V | 72.4 | Confident | 63 | Low | 84 Ų | 84 | 51.2 Ų | 51.2 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119.4 | 172.7 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | D1225 | D1225-V1372 WeakPolarHBondContact OD1-CG2 3.42Å |
| 1373 | H | 77.5 | Confident | 65.5 | Low | 25 Ų | 25 | 48.5 Ų | 48.5 | 12% | 0.116 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.5 | 173.3 | -69.6 | -80.3 | 0 | 0 | 0 | 110.6 | L1165 S1223 V1224 V1375 I1437 D1438 | L1165-H1373 HydrophobicContact CD2-CB 4.22Å; S1223-H1373 WeakPolarHBondContact CA-O 3.48Å; V1224-H1373 PolarHBondContact N-O 3.14Å; V1224-H1373 PolarHBondContact O-N 3.41Å; H1373-V1375 PolarHBondContact O-N 2.82Å; H1373-I1437 HydrophobicContact CB-CG2 4.23Å; H1373-D1438 WeakPolarHBondContact CA-OD1 3.44Å; H1373-D1438 IonicContact CE1-OD2 2.68Å; H1373-D1438 IonicContact CG-OD2 3.78Å; H1373-D1438 IonicContact ND1-OD2 2.79Å; H1373-D1438 PolarHBondContact ND1-OD2 2.89Å |
| 1374 | S | 84.3 | Confident | 68 | Low | 26 Ų | 26 | 49.6 Ų | 49.6 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 110.3 | 175.1 | -158.5 | 0 | 0 | 0 | 0 | 110.2 | I1437 D1438 | S1374-I1437 CarbonylContact O-C 3.54Å; S1374-I1437 WeakPolarHBondContact O-CA 3.43Å; S1374-D1438 PolarHBondContact N-OD1 2.72Å; S1374-D1438 PolarHBondContact O-N 3.28Å |
| 1375 | V | 86.6 | Confident | 70.1 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.5 | -177.4 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | L1165 A1169 Q1221 C1222 V1224 H1373 I1377 | L1165-V1375 HydrophobicContact CB-CG2 4.42Å; L1165-V1375 HydrophobicContact CD2-CG2 3.91Å; A1169-V1375 HydrophobicContact CB-CB 4.44Å; A1169-V1375 HydrophobicContact CB-CG1 4.01Å; Q1221-V1375 WeakPolarHBondContact CA-O 3.34Å; C1222-V1375 PolarHBondContact N-O 3.16Å; C1222-V1375 PolarHBondContact O-N 3.46Å; V1224-V1375 HydrophobicContact CB-CG2 4.27Å; V1224-V1375 HydrophobicContact CG2-CB 4.32Å; V1224-V1375 HydrophobicContact CG2-CG2 3.78Å; H1373-V1375 PolarHBondContact O-N 2.82Å; V1375-I1377 HydrophobicContact CG1-CD1 4.07Å; V1375-I1377 HydrophobicContact CG1-CG1 4Å |
| 1376 | L | 86.9 | Confident | 72.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.1 | 171.6 | -73.4 | 89 | 0 | 0 | 0 | 110.3 | V1220 Q1221 N1386 A1436 | V1220-L1376 WeakPolarHBondContact O-CA 3.41Å; Q1221-L1376 HydrophobicContact CB-CD2 4.35Å; Q1221-L1376 HydrophobicContact CB-CG 3.97Å; Q1221-L1376 HydrophobicContact CG-CD1 4.11Å; Q1221-L1376 HydrophobicContact CG-CD2 4.35Å; Q1221-L1376 HydrophobicContact CG-CG 3.88Å; L1376-N1386 HydrophobicContact CD2-CB 3.4Å; L1376-N1386 VanDerWaalsContact CD2-CG 3.5Å; L1376-A1436 HydrophobicContact CB-CB 4.33Å; L1376-A1436 PolarHBondContact N-O 3.2Å; L1376-A1436 PolarHBondContact O-N 3.27Å |
| 1377 | I | 87.4 | Confident | 74.3 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.4 | -178.9 | -59.6 | 169.8 | 0 | 0 | 0 | 107.7 | I1166 A1169 E1170 G1219 V1220 V1375 V1433 Y1434 | I1166-I1377 HydrophobicContact CG2-CD1 3.98Å; A1169-I1377 HydrophobicContact CB-CD1 3.74Å; E1170-I1377 HydrophobicContact CG-CD1 3.77Å; G1219-I1377 CarbonylContact C-O 3.48Å; G1219-I1377 VanDerWaalsContact CA-O 3.27Å; G1219-I1377 WeakPolarHBondContact CA-O 3.44Å; V1220-I1377 PolarHBondContact N-O 2.61Å; V1220-I1377 PolarHBondContact O-N 2.95Å; V1375-I1377 HydrophobicContact CG1-CD1 4.07Å; V1375-I1377 HydrophobicContact CG1-CG1 4Å; I1377-V1433 HydrophobicContact CG2-CG1 3.53Å; I1377-Y1434 WeakPolarHBondContact CA-O 3.47Å |
| 1378 | G | 85.3 | Confident | 76 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | -162.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1218 Y1434 | L1218-G1378 WeakPolarHBondContact O-CA 3.28Å; G1378-Y1434 PolarHBondContact N-O 3.43Å; G1378-Y1434 VanDerWaalsContact N-O 3.15Å; G1378-Y1434 PolarHBondContact O-N 3.48Å |
| 1379 | N | 83.6 | Confident | 77.7 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | trans | -83.7 | 168.6 | 175.9 | 80.1 | 28.8 | 0 | 0 | 0 | 111.7 | G1217 L1218 E1381 W1382 L1383 | G1217-N1379 PolarHBondContact O-ND2 3.34Å; L1218-N1379 PolarHBondContact O-N 2.89Å; N1379-E1381 PolarHBondContact O-N 3.13Å; N1379-E1381 WeakPolarHBondContact OD1-CA 3.4Å; N1379-E1381 WeakPolarHBondContact OD1-CB 3.17Å; N1379-E1381 PolarHBondContact OD1-N 3.47Å; N1379-W1382 WeakPolarHBondContact O-CB 3.36Å; N1379-W1382 PolarHBondContact O-N 3.4Å; N1379-W1382 PolarHBondContact OD1-N 3.19Å; N1379-W1382 VanDerWaalsContact OD1-N 3.13Å; N1379-L1383 WeakPolarHBondContact O-CD1 3.22Å | ||
| 1380 | R | 80.1 | Confident | 79.1 | Confident | 92 Ų | 92 | 46.8 Ų | 46.8 | 35% | 0.347 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -53.9 | -28.9 | -177.7 | -169.5 | 175.6 | 179.8 | -173.5 | 6.3 | 115.1 | K1384 D1419 Y1434 | R1380-K1384 PolarHBondContact O-N 3.23Å; R1380-D1419 VanDerWaalsContact CZ-CG 3.42Å; R1380-D1419 IonicContact CZ-OD1 2.69Å; R1380-D1419 IonicContact CZ-OD2 3.92Å; R1380-D1419 IonicContact NE-OD1 2.94Å; R1380-D1419 IonicContact NH1-OD1 3.94Å; R1380-D1419 PolarHBondContact NH1-OD1 3.16Å; R1380-D1419 IonicContact NH1-OD2 3.55Å; R1380-D1419 PolarHBondContact NH1-OD2 3.45Å; R1380-D1419 VanDerWaalsContact NH2-CG 3.25Å; R1380-D1419 IonicContact NH2-OD1 2.64Å; R1380-D1419 PolarHBondContact NH2-OD1 3.13Å; R1380-D1419 IonicContact NH2-OD2 2.65Å; R1380-D1419 PolarHBondContact NH2-OD2 3.25Å; R1380-Y1434 HydrophobicContact CB-CE2 3.94Å |
| 1381 | E | 75 | Confident | 79.9 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -81.6 | -29.2 | -179 | -72.7 | 166.4 | -178.6 | 0 | 0 | 112 | L1218 N1379 L1383 K1384 Q1385 K1665 | L1218-E1381 HydrophobicContact CD2-CB 3.92Å; N1379-E1381 PolarHBondContact O-N 3.13Å; N1379-E1381 WeakPolarHBondContact OD1-CA 3.4Å; N1379-E1381 WeakPolarHBondContact OD1-CB 3.17Å; N1379-E1381 PolarHBondContact OD1-N 3.47Å; E1381-L1383 VanDerWaalsContact C-N 3.33Å; E1381-L1383 PolarHBondContact O-N 3.27Å; E1381-K1384 PolarHBondContact O-N 3.43Å; E1381-Q1385 WeakPolarHBondContact O-CG 3.37Å; E1381-Q1385 PolarHBondContact O-N 3.03Å; E1381-K1665 IonicContact OE1-NZ 3.1Å; E1381-K1665 PolarHBondContact OE1-NZ 3.46Å |
| 1382 | W | 83.7 | Confident | 79.8 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | 170.1 | -169.3 | -125.2 | 0 | 0 | 0 | 112.3 | S1215 L1218 V1220 Q1221 N1379 N1386 | S1215-W1382 VanDerWaalsContact CB-CZ3 3.47Å; L1218-W1382 HydrophobicContact CB-CB 4.38Å; L1218-W1382 HydrophobicContact CB-CD2 4.28Å; L1218-W1382 HydrophobicContact CB-CE3 3.79Å; L1218-W1382 HydrophobicContact CB-CZ3 4.43Å; L1218-W1382 HydrophobicContact CD1-CE3 4.46Å; L1218-W1382 HydrophobicContact CD2-CB 4.42Å; V1220-W1382 PolarHBondContact O-NE1 3.38Å; Q1221-W1382 HydrophobicContact CB-CZ2 4.04Å; N1379-W1382 WeakPolarHBondContact O-CB 3.36Å; N1379-W1382 PolarHBondContact O-N 3.4Å; N1379-W1382 PolarHBondContact OD1-N 3.19Å; N1379-W1382 VanDerWaalsContact OD1-N 3.13Å; W1382-N1386 PolarHBondContact O-N 3.32Å; W1382-N1386 PolarHBondContact O-ND2 2.94Å |
| 1383 | L | 82.6 | Confident | 79.5 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -71.5 | -35.4 | 175.7 | -57.2 | 106.4 | 0 | 0 | 0 | 112.6 | N1379 E1381 N1386 N1387 V1388 Y1434 A1436 L1441 | N1379-L1383 WeakPolarHBondContact O-CD1 3.22Å; E1381-L1383 VanDerWaalsContact C-N 3.33Å; E1381-L1383 PolarHBondContact O-N 3.27Å; L1383-N1386 CarbonylContact O-C 3.49Å; L1383-N1386 PolarHBondContact O-N 3.4Å; L1383-N1387 PolarHBondContact O-N 3.39Å; L1383-V1388 HydrophobicContact CB-CB 4.02Å; L1383-V1388 HydrophobicContact CB-CG2 4.05Å; L1383-V1388 HydrophobicContact CD2-CB 4.16Å; L1383-V1388 HydrophobicContact CD2-CG1 3.95Å; L1383-V1388 HydrophobicContact CD2-CG2 4.17Å; L1383-V1388 HydrophobicContact CG-CG2 4.43Å; L1383-V1388 PolarHBondContact O-N 3.06Å; L1383-V1388 VanDerWaalsContact O-N 3.16Å; L1383-Y1434 VanDerWaalsContact CD1-CB 3.43Å; L1383-Y1434 HydrophobicContact CD1-CD1 4.08Å; L1383-Y1434 HydrophobicContact CD1-CD2 4.12Å; L1383-Y1434 HydrophobicContact CD1-CG 3.65Å; L1383-A1436 HydrophobicContact CD2-CB 3.95Å; L1383-L1441 HydrophobicContact CD2-CD1 3.71Å |
| 1384 | K | 79.8 | Confident | 78.1 | Confident | 146 Ų | 146 | 48.7 Ų | 48.7 | 64% | 0.635 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64 | -43.2 | 173.4 | -80.6 | -163.7 | 169.9 | -161 | 0 | 111.9 | R1380 E1381 N1386 N1387 | R1380-K1384 PolarHBondContact O-N 3.23Å; E1381-K1384 PolarHBondContact O-N 3.43Å; K1384-N1386 PolarHBondContact O-N 2.79Å; K1384-N1387 PolarHBondContact O-N 3.37Å |
| 1385 | Q | 80.5 | Confident | 76.4 | Confident | 104 Ų | 104 | 51.5 Ų | 51.5 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.6 | -26 | 178.1 | -74 | 177.9 | 3 | 0 | 0 | 113.2 | E1381 | E1381-Q1385 WeakPolarHBondContact O-CG 3.37Å; E1381-Q1385 PolarHBondContact O-N 3.03Å |
| 1386 | N | 81.6 | Confident | 74 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 16% | 0.16 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 14.2 | -178.1 | -65.7 | -72.9 | 0 | 0 | 0 | 113.8 | L1376 W1382 L1383 K1384 V1388 | L1376-N1386 HydrophobicContact CD2-CB 3.4Å; L1376-N1386 VanDerWaalsContact CD2-CG 3.5Å; W1382-N1386 PolarHBondContact O-N 3.32Å; W1382-N1386 PolarHBondContact O-ND2 2.94Å; L1383-N1386 CarbonylContact O-C 3.49Å; L1383-N1386 PolarHBondContact O-N 3.4Å; K1384-N1386 PolarHBondContact O-N 2.79Å; N1386-V1388 VanDerWaalsContact C-N 3.32Å; N1386-V1388 PolarHBondContact O-N 3Å |
| 1387 | N | 79.8 | Confident | 71.2 | Confident | 140 Ų | 140 | 66.4 Ų | 66.4 | 75% | 0.749 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 41.6 | 175.9 | -67.7 | -31.9 | 0 | 0 | 0 | 115 | L1383 K1384 | L1383-N1387 PolarHBondContact O-N 3.39Å; K1384-N1387 PolarHBondContact O-N 3.37Å |
| 1388 | V | 78.2 | Confident | 68.2 | Low | 15 Ų | 15 | 76.9 Ų | 76.9 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 135.4 | 178.7 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | L1383 N1386 A1436 N1439 L1441 | L1383-V1388 HydrophobicContact CB-CB 4.02Å; L1383-V1388 HydrophobicContact CB-CG2 4.05Å; L1383-V1388 HydrophobicContact CD2-CB 4.16Å; L1383-V1388 HydrophobicContact CD2-CG1 3.95Å; L1383-V1388 HydrophobicContact CD2-CG2 4.17Å; L1383-V1388 HydrophobicContact CG-CG2 4.43Å; L1383-V1388 PolarHBondContact O-N 3.06Å; L1383-V1388 VanDerWaalsContact O-N 3.16Å; N1386-V1388 VanDerWaalsContact C-N 3.32Å; N1386-V1388 PolarHBondContact O-N 3Å; V1388-A1436 HydrophobicContact CG1-CB 3.63Å; V1388-A1436 HydrophobicContact CG2-CB 4.11Å; V1388-N1439 WeakPolarHBondContact CA-O 3.48Å; V1388-L1441 HydrophobicContact CG1-CB 4.15Å |
| 1389 | I | 75.9 | Confident | 65.4 | Low | 46 Ų | 46 | 82.8 Ų | 82.8 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 123.4 | 175.6 | -56 | 176.1 | 0 | 0 | 0 | 109.8 | W1273 P1274 N1439 L1441 | W1273-I1389 HydrophobicContact CB-CG2 4.15Å; P1274-I1389 HydrophobicContact CG-CG2 3.92Å; I1389-N1439 PolarHBondContact N-O 2.94Å; I1389-L1441 PolarHBondContact O-N 3.21Å |
| 1390 | L | 76.6 | Confident | 62.7 | Low | 82 Ų | 82 | 85.7 Ų | 85.7 | 43% | 0.429 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 139.8 | 178 | -61.5 | 176.4 | 0 | 0 | 0 | 111.3 | L1418 L1441 | L1390-L1418 HydrophobicContact CD2-CD2 4.02Å; L1390-L1441 HydrophobicContact CD2-CB 4.38Å; L1390-L1441 HydrophobicContact CD2-CD2 4.06Å |
| 1391 | P | 72.1 | Confident | 60 | Low | 11 Ų | 11 | 88.6 Ų | 88.6 | 7% | 0.071 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 142 | 174 | 26.4 | -33.4 | 0 | 0 | 0 | 112.4 | F1119 C1271 M1272 W1273 L1441 | F1119-P1391 HydrophobicContact CD1-CG 4.09Å; F1119-P1391 HydrophobicContact CD2-CG 3.96Å; F1119-P1391 HydrophobicContact CE1-CG 4.32Å; F1119-P1391 HydrophobicContact CE2-CG 4.19Å; F1119-P1391 HydrophobicContact CG-CB 4.47Å; F1119-P1391 HydrophobicContact CG-CG 3.93Å; F1119-P1391 HydrophobicContact CZ-CG 4.38Å; C1271-P1391 HydrophobicContact CB-CB 3.75Å; M1272-P1391 WeakPolarHBondContact O-CA 3.29Å; W1273-P1391 HydrophobicContact CD2-CB 4.46Å; W1273-P1391 HydrophobicContact CZ2-CB 4.48Å; P1391-L1441 HydrophobicContact CG-CD2 4.21Å |
| 1392 | I | 66.6 | Low | 57.7 | Low | 107 Ų | 107 | 88.2 Ų | 88.2 | 55% | 0.549 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 110.9 | 163.8 | -57.5 | 173.4 | 0 | 0 | 0 | 106.7 | C1271 M1272 L1394 | C1271-I1392 CarbonylContact C-O 3.55Å; C1271-I1392 WeakPolarHBondContact CA-O 3.44Å; C1271-I1392 WeakPolarHBondContact CB-O 3.49Å; M1272-I1392 PolarHBondContact N-O 2.95Å; M1272-I1392 PolarHBondContact O-N 3.44Å; I1392-L1394 PolarHBondContact O-N 2.79Å |
| 1393 | I | 65.7 | Low | 54.8 | Low | 30 Ų | 30 | 94.8 Ų | 94.8 | 15% | 0.154 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 127.6 | -178.6 | -67.2 | 167.2 | 0 | 0 | 0 | 109.4 | F1119 V1269 P1416 | F1119-I1393 HydrophobicContact CE1-CD1 4.22Å; F1119-I1393 HydrophobicContact CE1-CG1 4.28Å; V1269-I1393 HydrophobicContact CG1-CB 4.43Å; V1269-I1393 HydrophobicContact CG1-CD1 4.28Å; V1269-I1393 HydrophobicContact CG1-CG1 3.97Å; V1269-I1393 HydrophobicContact CG1-CG2 3.71Å; I1393-P1416 VanDerWaalsContact CD1-O 3.24Å; I1393-P1416 WeakPolarHBondContact CD1-O 3.34Å |
| 1394 | L | 48.1 | Very low | 52.3 | Low | 63 Ų | 63 | 102.5 Ų | 102.5 | 33% | 0.33 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 141.7 | 179.6 | -70.4 | 179.2 | 0 | 0 | 0 | 111.1 | P1122 S1270 M1272 I1392 | P1122-L1394 HydrophobicContact CG-CD1 4.06Å; S1270-L1394 PolarHBondContact O-N 3.3Å; M1272-L1394 HydrophobicContact CG-CD1 3.86Å; M1272-L1394 HydrophobicContact CG-CG 4.39Å; M1272-L1394 HydrophobicContact SD-CD1 4.06Å; M1272-L1394 HydrophobicContact SD-CD2 4.2Å; I1392-L1394 PolarHBondContact O-N 2.79Å |
| 1395 | S | 48.6 | Very low | 49.6 | Very low | 86 Ų | 86 | 101 Ų | 101 | 60% | 0.601 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -94 | 133 | 170.8 | 49.6 | 0 | 0 | 0 | 0 | 111.2 | E1397 | S1395-E1397 PolarHBondContact O-N 2.98Š|
| 1396 | N | 35.5 | Very low | 47 | Very low | 149 Ų | 149 | 103.9 Ų | 103.9 | 80% | 0.797 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -71.7 | 66.5 | 170.9 | -81.5 | 3.8 | 0 | 0 | 0 | 111.5 | ||
| 1397 | E | 28.1 | Very low | 44.3 | Very low | 166 Ų | 166 | 114.4 Ų | 114.4 | 78% | 0.776 | 58% | 0.584 | S | S | * | * | trans | -148.6 | 45.4 | 176.3 | -143.6 | 160.4 | -136.9 | 0 | 0 | 113 | S1395 | S1395-E1397 PolarHBondContact O-N 2.98Š| ||
| 1398 | Y | 25.7 | Very low | 41.6 | Very low | 225 Ų | 225 | 116.1 Ų | 116.1 | 88% | 0.882 | 59% | 0.587 | S | S | * | * | trans | -101.6 | 95.9 | 156.4 | -96.4 | -91 | 0 | 0 | 0 | 109.3 | ||||
| 1399 | L | 25.6 | Very low | 39 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | trans | -103.9 | 110.2 | 165.7 | -99.7 | 165.1 | 0 | 0 | 0 | 107.9 | D1401 | L1399-D1401 PolarHBondContact O-N 2.81Š| ||
| 1400 | P | 26.3 | Very low | 36.5 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 74% | 0.74 | 65% | 0.65 | S | S | * | * | trans | -78.6 | 89.1 | 174.4 | 31.8 | -32.3 | 0 | 0 | 0 | 109.5 | ||||
| 1401 | D | 24.5 | Very low | 34 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 82% | 0.824 | 66% | 0.664 | S | S | * | * | trans | -161.6 | 127.8 | 155.6 | -112.6 | -33.6 | 0 | 0 | 0 | 111 | L1399 | L1399-D1401 PolarHBondContact O-N 2.81Š| ||
| 1402 | G | 26.7 | Very low | 31.9 | Very low | 35 Ų | 35 | 133.3 Ų | 133.3 | 36% | 0.361 | 70% | 0.7 | S | S | . | * | trans | -87.7 | 117.6 | -167 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1327 | V1327-G1402 WeakPolarHBondContact CA-O 3.35Å; V1327-G1402 PolarHBondContact N-O 2.9Å | ||
| 1403 | R | 23 | Very low | 30 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 56% | 0.558 | 71% | 0.712 | S | S | * | * | trans | -154.2 | 119.3 | 155.2 | -119.6 | 171.4 | -164.3 | -138.1 | 7 | 113.8 | V1327 | V1327-R1403 HydrophobicContact CB-CG 4.31Å; V1327-R1403 HydrophobicContact CG2-CG 3.56Å | ||
| 1404 | E | 30.2 | Very low | 28.5 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | -70.7 | 136.6 | 165.2 | -63.8 | -177.2 | 112.4 | 0 | 0 | 110.5 | ||||
| 1405 | S | 23.3 | Very low | 28.1 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -155.3 | 134.5 | 152.1 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | R1407 | S1405-R1407 PolarHBondContact O-N 2.88Š| ||
| 1406 | N | 24.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 141 Ų | 141 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -57 | 130.5 | -171.8 | -73.5 | -69.6 | 0 | 0 | 0 | 114.2 | ||||
| 1407 | R | 26 | Very low | 29.7 | Very low | 252 Ų | 252 | 137.7 Ų | 137.7 | 95% | 0.951 | 73% | 0.732 | S | S | * | * | trans | -151.9 | 124 | 147.1 | -114.2 | 165.2 | -167.4 | 172.2 | 5.6 | 112.4 | S1405 | S1405-R1407 PolarHBondContact O-N 2.88Š| ||
| 1408 | Q | 22.2 | Very low | 31.8 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -82 | 148.9 | -178.6 | -68.6 | 170.4 | -33.4 | 0 | 0 | 112 | ||||
| 1409 | T | 23.9 | Very low | 34 | Very low | 143 Ų | 143 | 122.7 Ų | 122.7 | 88% | 0.877 | 67% | 0.672 | S | S | * | * | trans | 50.2 | 84.2 | 154.4 | 57.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1410 | A | 23.4 | Very low | 36.3 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 76% | 0.76 | 66% | 0.656 | S | S | * | * | trans | -129 | 153.4 | 143.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1411 | G | 24.6 | Very low | 38.6 | Very low | 71 Ų | 71 | 115 Ų | 115 | 73% | 0.732 | 63% | 0.629 | S | S | * | * | trans | -57.3 | 143.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C1413 | G1411-C1413 PolarHBondContact O-N 3.18Å; G1411-C1413 VanDerWaalsContact O-N 3.16Å | ||
| 1412 | Y | 27 | Very low | 41.3 | Very low | 210 Ų | 210 | 107.9 Ų | 107.9 | 82% | 0.824 | 59% | 0.592 | S | S | * | * | trans | -53.2 | 117.1 | 167.3 | -126.5 | -105 | 0 | 0 | 0 | 108.5 | D1414 | Y1412-D1414 PolarHBondContact O-N 2.84Š| ||
| 1413 | C | 26.8 | Very low | 43.6 | Very low | 119 Ų | 119 | 109.4 Ų | 109.4 | 80% | 0.804 | 60% | 0.596 | S | S | * | * | trans | -77.1 | 104.3 | 164.4 | -72.2 | 0 | 0 | 0 | 0 | 106.7 | G1411 I1415 | G1411-C1413 PolarHBondContact O-N 3.18Å; G1411-C1413 VanDerWaalsContact O-N 3.16Å; C1413-I1415 PolarHBondContact O-N 2.73Å; C1413-I1415 VanDerWaalsContact O-N 3.11Å | ||
| 1414 | D | 34.2 | Very low | 46.2 | Very low | 142 Ų | 142 | 104.4 Ų | 104.4 | 76% | 0.759 | 59% | 0.587 | S | S | * | * | trans | -53.4 | 120.3 | 178.3 | -72.7 | -39.9 | 0 | 0 | 0 | 110 | Y1412 | Y1412-D1414 PolarHBondContact O-N 2.84Š| ||
| 1415 | I | 39.8 | Very low | 48.4 | Very low | 113 Ų | 113 | 97 Ų | 97 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | trans | -54.8 | 128.4 | 178 | -58.8 | 165.5 | 0 | 0 | 0 | 107.2 | C1413 T1417 | C1413-I1415 PolarHBondContact O-N 2.73Å; C1413-I1415 VanDerWaalsContact O-N 3.11Å; I1415-T1417 PolarHBondContact O-N 3.03Å | ||
| 1416 | P | 53.3 | Low | 50.8 | Low | 72 Ų | 72 | 95.4 Ų | 95.4 | 47% | 0.468 | 53% | 0.533 | S | S | . | . | trans | -71.3 | 81.2 | -173 | 28 | -34.7 | 0 | 0 | 0 | 110.9 | I1393 S1420 | I1393-P1416 VanDerWaalsContact CD1-O 3.24Å; I1393-P1416 WeakPolarHBondContact CD1-O 3.34Å; P1416-S1420 WeakPolarHBondContact CA-OG 3.23Å | ||
| 1417 | T | 63.8 | Low | 53 | Low | 81 Ų | 81 | 91.4 Ų | 91.4 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | trans | -61 | 153.5 | 173.2 | 54.6 | 0 | 0 | 0 | 0 | 110.3 | I1415 D1419 S1420 L1421 | I1415-T1417 PolarHBondContact O-N 3.03Å; T1417-D1419 PolarHBondContact O-N 3.24Å; T1417-D1419 VanDerWaalsContact O-N 3.11Å; T1417-S1420 PolarHBondContact N-OG 2.82Å; T1417-S1420 WeakPolarHBondContact O-CA 3.49Å; T1417-S1420 WeakPolarHBondContact O-CB 3.34Å; T1417-S1420 PolarHBondContact O-N 2.8Å; T1417-S1420 PolarHBondContact O-OG 3.21Å; T1417-S1420 PolarHBondContact OG1-N 2.75Å; T1417-L1421 PolarHBondContact O-N 3.1Å | ||
| 1418 | L | 73.5 | Confident | 55.3 | Low | 20 Ų | 20 | 83.3 Ų | 83.3 | 11% | 0.105 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -50.7 | -39.6 | 177.9 | -176.5 | 65.4 | 0 | 0 | 0 | 112.2 | F1119 L1390 L1421 V1422 Y1434 L1441 L1444 | F1119-L1418 HydrophobicContact CE1-CD1 4.43Å; F1119-L1418 HydrophobicContact CE2-CD1 4.07Å; F1119-L1418 HydrophobicContact CZ-CD1 3.52Å; L1390-L1418 HydrophobicContact CD2-CD2 4.02Å; L1418-L1421 PolarHBondContact O-N 2.8Å; L1418-V1422 WeakPolarHBondContact O-CG2 3.46Å; L1418-V1422 PolarHBondContact O-N 3.3Å; L1418-V1422 VanDerWaalsContact O-N 3.13Å; L1418-Y1434 HydrophobicContact CD2-CE1 4.36Å; L1418-L1441 HydrophobicContact CD1-CD2 4.18Å; L1418-L1441 HydrophobicContact CD2-CD2 3.74Å; L1418-L1444 HydrophobicContact CD1-CD1 4.08Å |
| 1419 | D | 72 | Confident | 57.5 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 30% | 0.299 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.6 | -34.5 | 177.2 | -77 | 1.5 | 0 | 0 | 0 | 113.2 | R1380 T1417 S1423 | R1380-D1419 VanDerWaalsContact CZ-CG 3.42Å; R1380-D1419 IonicContact CZ-OD1 2.69Å; R1380-D1419 IonicContact CZ-OD2 3.92Å; R1380-D1419 IonicContact NE-OD1 2.94Å; R1380-D1419 IonicContact NH1-OD1 3.94Å; R1380-D1419 PolarHBondContact NH1-OD1 3.16Å; R1380-D1419 IonicContact NH1-OD2 3.55Å; R1380-D1419 PolarHBondContact NH1-OD2 3.45Å; R1380-D1419 VanDerWaalsContact NH2-CG 3.25Å; R1380-D1419 IonicContact NH2-OD1 2.64Å; R1380-D1419 PolarHBondContact NH2-OD1 3.13Å; R1380-D1419 IonicContact NH2-OD2 2.65Å; R1380-D1419 PolarHBondContact NH2-OD2 3.25Å; T1417-D1419 PolarHBondContact O-N 3.24Å; T1417-D1419 VanDerWaalsContact O-N 3.11Å; D1419-S1423 WeakPolarHBondContact O-CB 3.5Å; D1419-S1423 PolarHBondContact O-N 2.57Å; D1419-S1423 PolarHBondContact O-OG 3.08Å |
| 1420 | S | 72.7 | Confident | 60.2 | Low | 51 Ų | 51 | 70.2 Ų | 70.2 | 36% | 0.357 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 174.5 | 74.7 | 0 | 0 | 0 | 0 | 111.9 | P1416 T1417 S1423 A1424 | P1416-S1420 WeakPolarHBondContact CA-OG 3.23Å; T1417-S1420 PolarHBondContact N-OG 2.82Å; T1417-S1420 WeakPolarHBondContact O-CA 3.49Å; T1417-S1420 WeakPolarHBondContact O-CB 3.34Å; T1417-S1420 PolarHBondContact O-N 2.8Å; T1417-S1420 PolarHBondContact O-OG 3.21Å; T1417-S1420 PolarHBondContact OG1-N 2.75Å; S1420-S1423 PolarHBondContact O-N 3.44Å; S1420-A1424 WeakPolarHBondContact O-CB 3.43Å; S1420-A1424 PolarHBondContact O-N 3.12Å |
| 1421 | L | 75.5 | Confident | 62.8 | Low | 33 Ų | 33 | 69.8 Ų | 69.8 | 17% | 0.173 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | -179.5 | -161.9 | 75 | 0 | 0 | 0 | 111.5 | V1117 T1417 L1418 L1444 | V1117-L1421 HydrophobicContact CG1-CD2 4.12Å; V1117-L1421 HydrophobicContact CG2-CD2 4.41Å; T1417-L1421 PolarHBondContact O-N 3.1Å; L1418-L1421 PolarHBondContact O-N 2.8Å; L1421-L1444 HydrophobicContact CD2-CD1 4.13Å |
| 1422 | V | 79.8 | Confident | 65.7 | Low | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.2 | -44.5 | 175.8 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L1418 A1424 D1425 E1426 V1432 Y1434 L1444 | L1418-V1422 WeakPolarHBondContact O-CG2 3.46Å; L1418-V1422 PolarHBondContact O-N 3.3Å; L1418-V1422 VanDerWaalsContact O-N 3.13Å; V1422-A1424 PolarHBondContact O-N 3.41Å; V1422-D1425 PolarHBondContact O-N 3.25Å; V1422-D1425 VanDerWaalsContact O-N 3.16Å; V1422-E1426 HydrophobicContact CG1-CG 4.17Å; V1422-E1426 PolarHBondContact O-N 2.98Å; V1422-V1432 HydrophobicContact CG1-CB 4.08Å; V1422-V1432 HydrophobicContact CG1-CG1 4.31Å; V1422-V1432 HydrophobicContact CG1-CG2 4.17Å; V1422-V1432 HydrophobicContact CG2-CG1 4.25Å; V1422-Y1434 HydrophobicContact CG2-CE1 4.25Å; V1422-L1444 HydrophobicContact CG2-CD1 3.82Å; V1422-L1444 HydrophobicContact CG2-CD2 4.34Å |
| 1423 | S | 76 | Confident | 68.6 | Low | 66 Ų | 66 | 57.7 Ų | 57.7 | 46% | 0.462 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.9 | -33.1 | 177.7 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | D1419 S1420 S1427 | D1419-S1423 WeakPolarHBondContact O-CB 3.5Å; D1419-S1423 PolarHBondContact O-N 2.57Å; D1419-S1423 PolarHBondContact O-OG 3.08Å; S1420-S1423 PolarHBondContact O-N 3.44Å; S1423-S1427 WeakPolarHBondContact O-CB 3.25Å; S1423-S1427 PolarHBondContact O-N 2.71Å; S1423-S1427 PolarHBondContact O-OG 3.09Å |
| 1424 | A | 77 | Confident | 71.6 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1420 V1422 S1427 Q1428 | S1420-A1424 WeakPolarHBondContact O-CB 3.43Å; S1420-A1424 PolarHBondContact O-N 3.12Å; V1422-A1424 PolarHBondContact O-N 3.41Å; A1424-S1427 PolarHBondContact O-OG 2.99Å; A1424-Q1428 PolarHBondContact O-NE2 3.02Å |
| 1425 | D | 77.6 | Confident | 74.2 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 7% | 0.07 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -80.1 | -38.6 | 178.4 | -74.5 | -4.8 | 0 | 0 | 0 | 111.9 | R1115 V1422 S1427 Q1428 H1430 V1432 T1446 | R1115-D1425 WeakPolarHBondContact CD-OD2 3.5Å; R1115-D1425 IonicContact CZ-OD2 2.72Å; R1115-D1425 IonicContact NE-OD2 2.64Å; R1115-D1425 IonicContact NH1-OD1 3.13Å; R1115-D1425 PolarHBondContact NH1-OD1 3.41Å; R1115-D1425 VanDerWaalsContact NH1-OD1 3.16Å; R1115-D1425 IonicContact NH1-OD2 2.69Å; R1115-D1425 PolarHBondContact NH1-OD2 2.9Å; V1422-D1425 PolarHBondContact O-N 3.25Å; V1422-D1425 VanDerWaalsContact O-N 3.16Å; D1425-S1427 VanDerWaalsContact C-N 3.26Å; D1425-S1427 PolarHBondContact O-N 3.3Å; D1425-Q1428 PolarHBondContact O-N 3.38Å; D1425-Q1428 VanDerWaalsContact O-N 3.09Å; D1425-Q1428 PolarHBondContact OD1-NE2 2.78Å; D1425-H1430 WeakPolarHBondContact O-CB 3.15Å; D1425-H1430 PolarHBondContact O-N 3.01Å; D1425-V1432 HydrophobicContact CB-CG2 3.8Å; D1425-T1446 HydrophobicContact CB-CG2 3.9Å; D1425-T1446 PolarHBondContact OD2-OG1 3.49Å |
| 1426 | E | 72 | Confident | 76.4 | Confident | 82 Ų | 82 | 40.4 Ų | 40.4 | 38% | 0.383 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59 | -36.4 | 170.5 | -73.9 | -171.9 | -177.7 | 0 | 0 | 112.2 | V1422 Q1428 G1429 V1432 | V1422-E1426 HydrophobicContact CG1-CG 4.17Å; V1422-E1426 PolarHBondContact O-N 2.98Å; E1426-Q1428 PolarHBondContact O-N 3.16Å; E1426-G1429 PolarHBondContact O-N 3.17Å; E1426-V1432 HydrophobicContact CG-CG2 4.41Å |
| 1427 | S | 72.6 | Confident | 77.9 | Confident | 79 Ų | 79 | 37.1 Ų | 37.1 | 55% | 0.552 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.9 | -23.2 | 177.5 | 78.6 | 0 | 0 | 0 | 0 | 113.6 | S1423 A1424 D1425 G1429 | S1423-S1427 WeakPolarHBondContact O-CB 3.25Å; S1423-S1427 PolarHBondContact O-N 2.71Å; S1423-S1427 PolarHBondContact O-OG 3.09Å; A1424-S1427 PolarHBondContact O-OG 2.99Å; D1425-S1427 VanDerWaalsContact C-N 3.26Å; D1425-S1427 PolarHBondContact O-N 3.3Å; S1427-G1429 VanDerWaalsContact C-N 3.26Å |
| 1428 | Q | 74.4 | Confident | 78.9 | Confident | 83 Ų | 83 | 36.3 Ų | 36.3 | 39% | 0.388 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.5 | 173.9 | -67.3 | 169.5 | 87.4 | 0 | 0 | 112.2 | A1424 D1425 E1426 A1482 | A1424-Q1428 PolarHBondContact O-NE2 3.02Å; D1425-Q1428 PolarHBondContact O-N 3.38Å; D1425-Q1428 VanDerWaalsContact O-N 3.09Å; D1425-Q1428 PolarHBondContact OD1-NE2 2.78Å; E1426-Q1428 PolarHBondContact O-N 3.16Å; Q1428-A1482 VanDerWaalsContact O-CB 3.3Å; Q1428-A1482 WeakPolarHBondContact O-CB 3.41Å |
| 1429 | G | 67.3 | Low | 79.3 | Confident | 13 Ų | 13 | 38.6 Ų | 38.6 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 14.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1426 S1427 S1479 | E1426-G1429 PolarHBondContact O-N 3.17Å; S1427-G1429 VanDerWaalsContact C-N 3.26Å; G1429-S1479 PolarHBondContact O-OG 2.81Å |
| 1430 | H | 81.3 | Confident | 79.7 | Confident | 29 Ų | 29 | 37.9 Ų | 37.9 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -87.4 | 149.9 | 177.6 | -59.6 | -174.1 | 0 | 0 | 0 | 110.9 | D1425 T1446 | D1425-H1430 WeakPolarHBondContact O-CB 3.15Å; D1425-H1430 PolarHBondContact O-N 3.01Å; H1430-T1446 HydrophobicContact CB-CG2 3.64Å |
| 1431 | T | 78.5 | Confident | 80.3 | Confident | 83 Ų | 83 | 35.5 Ų | 35.5 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.1 | 172.3 | -56.4 | 0 | 0 | 0 | 0 | 109.1 | I1447 | T1431-I1447 PolarHBondContact N-O 3.12Å; T1431-I1447 PolarHBondContact O-N 3.09Å |
| 1432 | V | 85.5 | Confident | 80.7 | Confident | 15 Ų | 15 | 34.8 Ų | 34.8 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.9 | 175.3 | -171.2 | 0 | 0 | 0 | 0 | 110 | V1422 D1425 E1426 L1444 T1446 | V1422-V1432 HydrophobicContact CG1-CB 4.08Å; V1422-V1432 HydrophobicContact CG1-CG1 4.31Å; V1422-V1432 HydrophobicContact CG1-CG2 4.17Å; V1422-V1432 HydrophobicContact CG2-CG1 4.25Å; D1425-V1432 HydrophobicContact CB-CG2 3.8Å; E1426-V1432 HydrophobicContact CG-CG2 4.41Å; V1432-L1444 HydrophobicContact CG1-CB 4.12Å; V1432-L1444 HydrophobicContact CG1-CD2 4.25Å; V1432-T1446 HydrophobicContact CG2-CG2 4.36Å |
| 1433 | V | 86.4 | Confident | 81 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 7% | 0.073 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.3 | 177.1 | -172.7 | 0 | 0 | 0 | 0 | 108.2 | V1177 I1377 L1444 V1445 I1447 | V1177-V1433 HydrophobicContact CG1-CG2 4Å; I1377-V1433 HydrophobicContact CG2-CG1 3.53Å; V1433-L1444 CarbonylContact O-C 3.59Å; V1433-L1444 WeakPolarHBondContact O-CA 3.27Å; V1433-V1445 HydrophobicContact CB-CB 4.41Å; V1433-V1445 PolarHBondContact N-O 2.94Å; V1433-V1445 PolarHBondContact O-N 3.31Å; V1433-I1447 HydrophobicContact CG2-CD1 4.21Å |
| 1434 | Y | 89.5 | Confident | 81.5 | Confident | 11 Ų | 11 | 31.5 Ų | 31.5 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 139.4 | 178.8 | -63.7 | -109.1 | 0 | 0 | 0 | 109.6 | I1377 G1378 R1380 L1383 L1418 V1422 L1441 L1444 | I1377-Y1434 WeakPolarHBondContact CA-O 3.47Å; G1378-Y1434 PolarHBondContact N-O 3.43Å; G1378-Y1434 VanDerWaalsContact N-O 3.15Å; G1378-Y1434 PolarHBondContact O-N 3.48Å; R1380-Y1434 HydrophobicContact CB-CE2 3.94Å; L1383-Y1434 VanDerWaalsContact CD1-CB 3.43Å; L1383-Y1434 HydrophobicContact CD1-CD1 4.08Å; L1383-Y1434 HydrophobicContact CD1-CD2 4.12Å; L1383-Y1434 HydrophobicContact CD1-CG 3.65Å; L1418-Y1434 HydrophobicContact CD2-CE1 4.36Å; V1422-Y1434 HydrophobicContact CG2-CE1 4.25Å; Y1434-L1441 HydrophobicContact CD1-CD1 3.98Å; Y1434-L1441 HydrophobicContact CD1-CD2 4.25Å; Y1434-L1441 HydrophobicContact CG-CD1 4.46Å; Y1434-L1444 HydrophobicContact CD1-CD2 3.35Å; Y1434-L1444 HydrophobicContact CD2-CD2 4.48Å; Y1434-L1444 HydrophobicContact CE1-CD2 3.77Å; Y1434-L1444 HydrophobicContact CG-CD2 3.77Å |
| 1435 | V | 88.9 | Confident | 82 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118.9 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | F1162 I1166 L1441 V1442 G1443 V1445 | F1162-V1435 HydrophobicContact CE2-CB 4Å; F1162-V1435 HydrophobicContact CE2-CG1 3.73Å; F1162-V1435 HydrophobicContact CZ-CB 3.97Å; F1162-V1435 HydrophobicContact CZ-CG1 4.11Å; F1162-V1435 HydrophobicContact CZ-CG2 4.28Å; I1166-V1435 HydrophobicContact CD1-CB 4.41Å; I1166-V1435 HydrophobicContact CD1-CG1 3.95Å; I1166-V1435 HydrophobicContact CD1-CG2 3.9Å; I1166-V1435 HydrophobicContact CG1-CG1 3.72Å; I1166-V1435 HydrophobicContact CG1-CG2 4.11Å; V1435-L1441 WeakPolarHBondContact O-CD1 3.36Å; V1435-V1442 PolarHBondContact O-N 3.27Å; V1435-G1443 PolarHBondContact N-O 3.44Å; V1435-G1443 PolarHBondContact O-N 3.25Å; V1435-G1443 VanDerWaalsContact O-N 3.13Å; V1435-V1445 HydrophobicContact CG2-CG2 3.83Å |
| 1436 | A | 86.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 145 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1376 L1383 V1388 I1440 | L1376-A1436 HydrophobicContact CB-CB 4.33Å; L1376-A1436 PolarHBondContact N-O 3.2Å; L1376-A1436 PolarHBondContact O-N 3.27Å; L1383-A1436 HydrophobicContact CD2-CB 3.95Å; V1388-A1436 HydrophobicContact CG1-CB 3.63Å; V1388-A1436 HydrophobicContact CG2-CB 4.11Å; A1436-I1440 CarbonylContact C-O 3.52Å; A1436-I1440 WeakPolarHBondContact CA-O 3.39Å; A1436-I1440 VanDerWaalsContact CB-O 3.28Å; A1436-I1440 WeakPolarHBondContact CB-O 3.5Å |
| 1437 | I | 84.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 130.2 | 178.8 | -58.2 | 167.6 | 0 | 0 | 0 | 106.2 | I1157 F1162 L1165 H1373 S1374 N1439 I1440 V1442 | I1157-I1437 HydrophobicContact CD1-CD1 3.93Å; F1162-I1437 HydrophobicContact CD2-CD1 4.17Å; L1165-I1437 HydrophobicContact CD1-CD1 3.89Å; H1373-I1437 HydrophobicContact CB-CG2 4.23Å; S1374-I1437 CarbonylContact O-C 3.54Å; S1374-I1437 WeakPolarHBondContact O-CA 3.43Å; I1437-N1439 VanDerWaalsContact C-N 3.25Å; I1437-N1439 PolarHBondContact O-N 3.06Å; I1437-I1440 PolarHBondContact N-O 3.26Å; I1437-I1440 WeakPolarHBondContact O-CB 3.28Å; I1437-I1440 PolarHBondContact O-N 3.1Å; I1437-V1442 HydrophobicContact CB-CG2 4Å; I1437-V1442 HydrophobicContact CD1-CB 4.23Å; I1437-V1442 HydrophobicContact CD1-CG1 4.29Å; I1437-V1442 HydrophobicContact CD1-CG2 4.15Å; I1437-V1442 HydrophobicContact CG1-CG2 4.25Å |
| 1438 | D | 83.7 | Confident | 83.4 | Confident | 63 Ų | 63 | 22.5 Ų | 22.5 | 34% | 0.337 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 41.4 | 179 | -57.7 | -43.6 | 0 | 0 | 0 | 113.7 | H1373 S1374 I1440 | H1373-D1438 WeakPolarHBondContact CA-OD1 3.44Å; H1373-D1438 IonicContact CE1-OD2 2.68Å; H1373-D1438 IonicContact CG-OD2 3.78Å; H1373-D1438 IonicContact ND1-OD2 2.79Å; H1373-D1438 PolarHBondContact ND1-OD2 2.89Å; S1374-D1438 PolarHBondContact N-OD1 2.72Å; S1374-D1438 PolarHBondContact O-N 3.28Å; D1438-I1440 VanDerWaalsContact C-N 3.26Å; D1438-I1440 PolarHBondContact O-N 3.18Å |
| 1439 | N | 81.9 | Confident | 83.7 | Confident | 68 Ų | 68 | 19.8 Ų | 19.8 | 36% | 0.364 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 24.5 | -174.9 | -65.7 | -15.3 | 0 | 0 | 0 | 115.5 | V1388 I1389 I1437 | V1388-N1439 WeakPolarHBondContact CA-O 3.48Å; I1389-N1439 PolarHBondContact N-O 2.94Å; I1437-N1439 VanDerWaalsContact C-N 3.25Å; I1437-N1439 PolarHBondContact O-N 3.06Å |
| 1440 | I | 81.8 | Confident | 84.3 | Confident | 42 Ų | 42 | 20.5 Ų | 20.5 | 22% | 0.215 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 131.4 | 172 | -60.5 | 177.4 | 0 | 0 | 0 | 108.7 | W1273 A1436 I1437 D1438 V1442 | W1273-I1440 VanDerWaalsContact CD1-CG2 3.42Å; W1273-I1440 HydrophobicContact CD2-CG2 4.28Å; W1273-I1440 HydrophobicContact CG-CG2 4.02Å; W1273-I1440 VanDerWaalsContact NE1-CG2 3.25Å; A1436-I1440 CarbonylContact C-O 3.52Å; A1436-I1440 WeakPolarHBondContact CA-O 3.39Å; A1436-I1440 VanDerWaalsContact CB-O 3.28Å; A1436-I1440 WeakPolarHBondContact CB-O 3.5Å; I1437-I1440 PolarHBondContact N-O 3.26Å; I1437-I1440 WeakPolarHBondContact O-CB 3.28Å; I1437-I1440 PolarHBondContact O-N 3.1Å; D1438-I1440 VanDerWaalsContact C-N 3.26Å; D1438-I1440 PolarHBondContact O-N 3.18Å; I1440-V1442 PolarHBondContact O-N 3.15Å |
| 1441 | L | 85.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 117.4 | 172.3 | -179 | 78.5 | 0 | 0 | 0 | 109.6 | F1119 W1273 L1383 V1388 I1389 L1390 P1391 L1418 Y1434 V1435 | F1119-L1441 HydrophobicContact CD2-CD2 4.36Å; F1119-L1441 HydrophobicContact CD2-CG 4.38Å; F1119-L1441 HydrophobicContact CE2-CD2 3.87Å; F1119-L1441 HydrophobicContact CE2-CG 4.28Å; W1273-L1441 PolarHBondContact NE1-O 3.38Å; W1273-L1441 VanDerWaalsContact NE1-O 3.07Å; L1383-L1441 HydrophobicContact CD2-CD1 3.71Å; V1388-L1441 HydrophobicContact CG1-CB 4.15Å; I1389-L1441 PolarHBondContact O-N 3.21Å; L1390-L1441 HydrophobicContact CD2-CB 4.38Å; L1390-L1441 HydrophobicContact CD2-CD2 4.06Å; P1391-L1441 HydrophobicContact CG-CD2 4.21Å; L1418-L1441 HydrophobicContact CD1-CD2 4.18Å; L1418-L1441 HydrophobicContact CD2-CD2 3.74Å; Y1434-L1441 HydrophobicContact CD1-CD1 3.98Å; Y1434-L1441 HydrophobicContact CD1-CD2 4.25Å; Y1434-L1441 HydrophobicContact CG-CD1 4.46Å; V1435-L1441 WeakPolarHBondContact O-CD1 3.36Å |
| 1442 | V | 83 | Confident | 84.9 | Confident | 18 Ų | 18 | 17.6 Ų | 17.6 | 11% | 0.109 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -26.9 | -176.8 | 178 | 0 | 0 | 0 | 0 | 112.1 | F1119 F1162 V1435 I1437 I1440 | F1119-V1442 PolarHBondContact N-O 2.81Å; F1162-V1442 HydrophobicContact CD2-CG1 3.91Å; F1162-V1442 HydrophobicContact CE2-CB 4.22Å; F1162-V1442 HydrophobicContact CE2-CG1 3.92Å; V1435-V1442 PolarHBondContact O-N 3.27Å; I1437-V1442 HydrophobicContact CB-CG2 4Å; I1437-V1442 HydrophobicContact CD1-CB 4.23Å; I1437-V1442 HydrophobicContact CD1-CG1 4.29Å; I1437-V1442 HydrophobicContact CD1-CG2 4.15Å; I1437-V1442 HydrophobicContact CG1-CG2 4.25Å; I1440-V1442 PolarHBondContact O-N 3.15Å |
| 1443 | G | 85.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 179.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | V1117 V1435 | V1117-G1443 CarbonylContact O-C 3.53Å; V1117-G1443 WeakPolarHBondContact O-CA 3.39Å; V1435-G1443 PolarHBondContact N-O 3.44Å; V1435-G1443 PolarHBondContact O-N 3.25Å; V1435-G1443 VanDerWaalsContact O-N 3.13Å |
| 1444 | L | 88 | Confident | 84.9 | Confident | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 139.4 | 175.8 | -56.4 | 170.9 | 0 | 0 | 0 | 109.5 | I1116 V1117 F1119 L1418 L1421 V1422 V1432 V1433 Y1434 | I1116-L1444 WeakPolarHBondContact CA-O 3.47Å; V1117-L1444 HydrophobicContact CB-CB 4.19Å; V1117-L1444 HydrophobicContact CG2-CB 4.49Å; V1117-L1444 PolarHBondContact N-O 2.95Å; V1117-L1444 PolarHBondContact O-N 3.43Å; F1119-L1444 HydrophobicContact CE2-CG 4.15Å; F1119-L1444 HydrophobicContact CZ-CD1 4.26Å; F1119-L1444 HydrophobicContact CZ-CG 4.38Å; L1418-L1444 HydrophobicContact CD1-CD1 4.08Å; L1421-L1444 HydrophobicContact CD2-CD1 4.13Å; V1422-L1444 HydrophobicContact CG2-CD1 3.82Å; V1422-L1444 HydrophobicContact CG2-CD2 4.34Å; V1432-L1444 HydrophobicContact CG1-CB 4.12Å; V1432-L1444 HydrophobicContact CG1-CD2 4.25Å; V1433-L1444 CarbonylContact O-C 3.59Å; V1433-L1444 WeakPolarHBondContact O-CA 3.27Å; Y1434-L1444 HydrophobicContact CD1-CD2 3.35Å; Y1434-L1444 HydrophobicContact CD2-CD2 4.48Å; Y1434-L1444 HydrophobicContact CE1-CD2 3.77Å; Y1434-L1444 HydrophobicContact CG-CD2 3.77Å |
| 1445 | V | 87.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.4 | 176 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | V1113 I1116 I1166 L1181 V1433 V1435 I1447 | V1113-V1445 HydrophobicContact CB-CG1 4.37Å; V1113-V1445 HydrophobicContact CG1-CG1 3.61Å; V1113-V1445 HydrophobicContact CG2-CG1 3.79Å; I1116-V1445 HydrophobicContact CG1-CG2 4.48Å; I1166-V1445 HydrophobicContact CD1-CG2 4.32Å; L1181-V1445 HydrophobicContact CD1-CG1 4.33Å; L1181-V1445 HydrophobicContact CD2-CG1 3.81Å; L1181-V1445 HydrophobicContact CD2-CG2 4.31Å; L1181-V1445 HydrophobicContact CG-CG1 4.24Å; V1433-V1445 HydrophobicContact CB-CB 4.41Å; V1433-V1445 PolarHBondContact N-O 2.94Å; V1433-V1445 PolarHBondContact O-N 3.31Å; V1435-V1445 HydrophobicContact CG2-CG2 3.83Å; V1445-I1447 HydrophobicContact CG1-CD1 4.08Å; V1445-I1447 HydrophobicContact CG1-CG1 3.98Å |
| 1446 | T | 87.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.4 | -174.8 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | V1113 I1114 R1115 D1425 H1430 V1432 | V1113-T1446 CarbonylContact C-O 3.55Å; V1113-T1446 WeakPolarHBondContact CA-O 3.47Å; V1113-T1446 WeakPolarHBondContact CG1-O 3.28Å; I1114-T1446 PolarHBondContact N-O 3.11Å; R1115-T1446 PolarHBondContact N-O 3.46Å; R1115-T1446 WeakPolarHBondContact O-CB 3.3Å; R1115-T1446 PolarHBondContact O-N 3.48Å; D1425-T1446 HydrophobicContact CB-CG2 3.9Å; D1425-T1446 PolarHBondContact OD2-OG1 3.49Å; H1430-T1446 HydrophobicContact CB-CG2 3.64Å; V1432-T1446 HydrophobicContact CG2-CG2 4.36Å |
| 1447 | I | 84.4 | Confident | 85 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138 | -167.7 | -58 | 179 | 0 | 0 | 0 | 109.4 | P1111 Q1112 V1113 V1177 T1431 V1433 V1445 | P1111-I1447 HydrophobicContact CB-CG2 3.8Å; Q1112-I1447 WeakPolarHBondContact O-CA 3.32Å; Q1112-I1447 WeakPolarHBondContact O-CG2 3.46Å; V1113-I1447 HydrophobicContact CG2-CD1 4.34Å; V1113-I1447 HydrophobicContact CG2-CG1 4.03Å; V1177-I1447 HydrophobicContact CB-CD1 4.11Å; V1177-I1447 HydrophobicContact CG1-CD1 3.61Å; V1177-I1447 HydrophobicContact CG2-CD1 4.02Å; T1431-I1447 PolarHBondContact N-O 3.12Å; T1431-I1447 PolarHBondContact O-N 3.09Å; V1433-I1447 HydrophobicContact CG2-CD1 4.21Å; V1445-I1447 HydrophobicContact CG1-CD1 4.08Å; V1445-I1447 HydrophobicContact CG1-CG1 3.98Å |
| 1448 | S | 80.4 | Confident | 85.3 | Confident | 24 Ų | 24 | 24.1 Ų | 24.1 | 17% | 0.168 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 171.4 | 161.6 | 105.8 | 0 | 0 | 0 | 0 | 111.1 | P1111 Q1112 I1114 | P1111-S1448 WeakPolarHBondContact CA-O 3.26Å; Q1112-S1448 PolarHBondContact N-O 2.72Å; Q1112-S1448 PolarHBondContact O-N 3.38Å; Q1112-S1448 VanDerWaalsContact O-N 3.13Å; I1114-S1448 WeakPolarHBondContact CD1-OG 3.47Å |
| 1449 | D | 79.6 | Confident | 85.7 | Confident | 25 Ų | 25 | 21.3 Ų | 21.3 | 13% | 0.134 | 12% | 0.122 | C | C | . | . | trans | -93.7 | 109.9 | 174.7 | -177.6 | 15.1 | 0 | 0 | 0 | 108.6 | T1107 Q1108 G1109 R1110 | T1107-D1449 VanDerWaalsContact CB-CG 3.41Å; T1107-D1449 WeakPolarHBondContact CB-OD2 3.32Å; T1107-D1449 HydrophobicContact CG2-CB 4.45Å; T1107-D1449 WeakPolarHBondContact CG2-O 3.24Å; T1107-D1449 VanDerWaalsContact OG1-CG 3.27Å; T1107-D1449 PolarHBondContact OG1-OD2 3.44Å; Q1108-D1449 PolarHBondContact N-OD1 3.38Å; G1109-D1449 VanDerWaalsContact CA-OD2 3.27Å; G1109-D1449 WeakPolarHBondContact CA-OD2 3.46Å; G1109-D1449 PolarHBondContact N-OD1 3.44Å; G1109-D1449 PolarHBondContact N-OD2 3.45Å; G1109-D1449 VanDerWaalsContact N-OD2 3.17Å; R1110-D1449 PolarHBondContact N-OD1 2.97Å | ||
| 1450 | P | 80.3 | Confident | 86 | Confident | 28 Ų | 28 | 18.4 Ų | 18.4 | 18% | 0.182 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 143.7 | -169.1 | 26 | -33.7 | 0 | 0 | 0 | 112.5 | T1107 Q1108 R1110 Q1112 | T1107-P1450 CarbonylContact C-O 3.54Å; T1107-P1450 VanDerWaalsContact CA-O 3.23Å; T1107-P1450 WeakPolarHBondContact CA-O 3.34Å; T1107-P1450 WeakPolarHBondContact CB-O 3.36Å; Q1108-P1450 HydrophobicContact CB-CG 4.26Å; Q1108-P1450 HydrophobicContact CG-CG 4.11Å; Q1108-P1450 PolarHBondContact N-O 3.43Å; R1110-P1450 WeakPolarHBondContact O-CD 3.5Å; Q1112-P1450 HydrophobicContact CG-CG 4.47Å |
| 1451 | I | 85.9 | Confident | 86.4 | Confident | 39 Ų | 39 | 16.5 Ų | 16.5 | 20% | 0.2 | 10% | 0.098 | C | C | . | . | B | Isolated β-bridge | trans | -70.1 | 142.1 | 177.3 | -55 | 176 | 0 | 0 | 0 | 109.6 | I1106 A1455 V1483 Q1486 I1487 | I1106-I1451 HydrophobicContact CG2-CG2 4.2Å; I1451-A1455 HydrophobicContact CG2-CB 3.77Å; I1451-V1483 HydrophobicContact CD1-CB 4.46Å; I1451-V1483 HydrophobicContact CD1-CG1 3.95Å; I1451-V1483 HydrophobicContact CD1-CG2 4.41Å; I1451-V1483 HydrophobicContact CG1-CG1 4.2Å; I1451-Q1486 HydrophobicContact CD1-CB 3.9Å; I1451-I1487 HydrophobicContact CD1-CG2 4.13Å; I1451-I1487 HydrophobicContact CG2-CG2 3.74Å |
| 1452 | K | 86.4 | Confident | 86.7 | Confident | 12 Ų | 12 | 16.5 Ų | 16.5 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -63.2 | 138.7 | 174.5 | -73 | 173.3 | -177.3 | 160.3 | 0 | 111.4 | G1104 T1105 I1106 T1107 E1454 A1455 N1749 L1751 | G1104-K1452 WeakPolarHBondContact O-CE 3.22Å; G1104-K1452 PolarHBondContact O-NZ 3.4Å; T1105-K1452 PolarHBondContact O-NZ 3.07Å; I1106-K1452 WeakPolarHBondContact O-CB 3.38Å; I1106-K1452 WeakPolarHBondContact O-CG 3.21Å; I1106-K1452 PolarHBondContact O-N 2.92Å; T1107-K1452 WeakPolarHBondContact O-CE 3.19Å; K1452-E1454 VanDerWaalsContact C-N 3.27Å; K1452-E1454 PolarHBondContact O-N 3.37Å; K1452-A1455 HydrophobicContact CB-CB 4.43Å; K1452-A1455 WeakPolarHBondContact O-CB 3.49Å; K1452-A1455 PolarHBondContact O-N 3.35Å; K1452-N1749 WeakPolarHBondContact CE-OD1 3.39Å; K1452-N1749 PolarHBondContact NZ-OD1 2.91Å; K1452-L1751 HydrophobicContact CB-CD1 4.27Å; K1452-L1751 HydrophobicContact CD-CD1 4.07Å; K1452-L1751 HydrophobicContact CD-CG 4.25Å |
| 1453 | P | 84 | Confident | 87 | Confident | 115 Ų | 115 | 18.8 Ų | 18.8 | 75% | 0.747 | 11% | 0.105 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -22.7 | -172.1 | 27.6 | -35.4 | 0 | 0 | 0 | 113.7 | ||
| 1454 | E | 87.4 | Confident | 87 | Confident | 32 Ų | 32 | 23.7 Ų | 23.7 | 15% | 0.15 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -4.3 | 173.4 | 72.3 | -99.2 | -132.8 | 0 | 0 | 114.7 | K1452 D1456 L1457 I1458 S1750 L1751 I1752 | K1452-E1454 VanDerWaalsContact C-N 3.27Å; K1452-E1454 PolarHBondContact O-N 3.37Å; E1454-D1456 PolarHBondContact O-N 2.95Å; E1454-L1457 PolarHBondContact O-N 3.16Å; E1454-I1458 HydrophobicContact CB-CG1 4.38Å; E1454-I1458 HydrophobicContact CG-CG1 4.16Å; E1454-I1458 VanDerWaalsContact O-CG1 3.25Å; E1454-I1458 WeakPolarHBondContact O-CG1 3.31Å; E1454-I1458 PolarHBondContact O-N 3.13Å; E1454-S1750 WeakPolarHBondContact OE1-CA 3.24Å; E1454-S1750 WeakPolarHBondContact OE1-CB 3.39Å; E1454-S1750 PolarHBondContact OE1-OG 3.43Å; E1454-L1751 HydrophobicContact CG-CB 3.91Å; E1454-L1751 PolarHBondContact OE1-N 3.3Å; E1454-L1751 VanDerWaalsContact OE1-N 3.15Å; E1454-I1752 HydrophobicContact CB-CG1 4.47Å; E1454-I1752 HydrophobicContact CG-CG1 4.24Å |
| 1455 | A | 89.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | -165 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1451 K1452 I1458 I1459 I1487 L1751 | I1451-A1455 HydrophobicContact CG2-CB 3.77Å; K1452-A1455 HydrophobicContact CB-CB 4.43Å; K1452-A1455 WeakPolarHBondContact O-CB 3.49Å; K1452-A1455 PolarHBondContact O-N 3.35Å; A1455-I1458 PolarHBondContact O-N 3.46Å; A1455-I1459 VanDerWaalsContact O-CG1 3.28Å; A1455-I1459 WeakPolarHBondContact O-CG1 3.49Å; A1455-I1459 PolarHBondContact O-N 3.29Å; A1455-I1487 HydrophobicContact CB-CG2 4.29Å; A1455-L1751 HydrophobicContact CB-CD1 3.79Å |
| 1456 | D | 88.7 | Confident | 86.7 | Confident | 17 Ų | 17 | 30.1 Ų | 30.1 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.2 | -37.3 | -177.9 | 62.1 | -5.6 | 0 | 0 | 0 | 112.8 | E1454 I1458 I1459 A1460 I1487 F1843 R1847 | E1454-D1456 PolarHBondContact O-N 2.95Å; D1456-I1458 VanDerWaalsContact C-N 3.33Å; D1456-I1458 PolarHBondContact O-N 3.5Å; D1456-I1459 PolarHBondContact O-N 2.85Å; D1456-A1460 VanDerWaalsContact O-CB 3.3Å; D1456-A1460 WeakPolarHBondContact O-CB 3.41Å; D1456-A1460 PolarHBondContact O-N 3.03Å; D1456-I1487 HydrophobicContact CB-CB 4.23Å; D1456-I1487 HydrophobicContact CB-CG2 4.31Å; D1456-F1843 HydrophobicContact CB-CD1 4.43Å; D1456-F1843 HydrophobicContact CB-CE1 3.92Å; D1456-R1847 IonicContact OD2-NH1 2.74Å; D1456-R1847 PolarHBondContact OD2-NH1 3.43Å |
| 1457 | L | 89.3 | Confident | 86.8 | Confident | 14 Ų | 14 | 30.3 Ų | 30.3 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -44.2 | 169 | 177.4 | 64.3 | 0 | 0 | 0 | 111.8 | E1454 A1461 P1832 L1835 I1836 Y1840 | E1454-L1457 PolarHBondContact O-N 3.16Å; L1457-A1461 VanDerWaalsContact O-CB 3.29Å; L1457-A1461 WeakPolarHBondContact O-CB 3.27Å; L1457-A1461 PolarHBondContact O-N 3.22Å; L1457-P1832 HydrophobicContact CD2-CB 4.06Å; L1457-L1835 HydrophobicContact CD1-CB 4.25Å; L1457-L1835 HydrophobicContact CD2-CB 4.45Å; L1457-L1835 HydrophobicContact CG-CB 4.29Å; L1457-I1836 HydrophobicContact CD1-CG1 4.16Å; L1457-Y1840 HydrophobicContact CB-CD2 4.27Å; L1457-Y1840 HydrophobicContact CB-CE2 3.89Å; L1457-Y1840 HydrophobicContact CD1-CD1 3.73Å; L1457-Y1840 HydrophobicContact CD1-CD2 4.23Å; L1457-Y1840 HydrophobicContact CD1-CE1 3.85Å; L1457-Y1840 HydrophobicContact CD1-CE2 4.35Å; L1457-Y1840 HydrophobicContact CD1-CG 3.91Å |
| 1458 | I | 91.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70 | -44.7 | 179.8 | -66.3 | -68.6 | 0 | 0 | 0 | 111.7 | E1454 A1455 D1456 A1460 A1461 L1462 L1751 I1752 V1755 L1835 | E1454-I1458 HydrophobicContact CB-CG1 4.38Å; E1454-I1458 HydrophobicContact CG-CG1 4.16Å; E1454-I1458 VanDerWaalsContact O-CG1 3.25Å; E1454-I1458 WeakPolarHBondContact O-CG1 3.31Å; E1454-I1458 PolarHBondContact O-N 3.13Å; A1455-I1458 PolarHBondContact O-N 3.46Å; D1456-I1458 VanDerWaalsContact C-N 3.33Å; D1456-I1458 PolarHBondContact O-N 3.5Å; I1458-A1460 VanDerWaalsContact C-N 3.32Å; I1458-A1460 PolarHBondContact O-N 3.44Å; I1458-A1461 PolarHBondContact O-N 3.25Å; I1458-L1462 HydrophobicContact CG2-CD1 4.01Å; I1458-L1462 HydrophobicContact CG2-CG 4.42Å; I1458-L1462 WeakPolarHBondContact O-CB 3.24Å; I1458-L1462 WeakPolarHBondContact O-CG 3.19Å; I1458-L1462 PolarHBondContact O-N 2.63Å; I1458-L1751 HydrophobicContact CB-CB 4.31Å; I1458-L1751 HydrophobicContact CG1-CB 3.95Å; I1458-L1751 HydrophobicContact CG2-CB 4.17Å; I1458-I1752 HydrophobicContact CD1-CB 4.47Å; I1458-I1752 HydrophobicContact CD1-CG1 4.18Å; I1458-V1755 HydrophobicContact CD1-CB 4.29Å; I1458-V1755 HydrophobicContact CD1-CG2 3.6Å; I1458-V1755 HydrophobicContact CG2-CG2 3.75Å; I1458-L1835 HydrophobicContact CD1-CD1 3.77Å |
| 1459 | I | 91.7 | Very high | 87.6 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.3 | -45.5 | 175.2 | -64 | -64.4 | 0 | 0 | 0 | 110.5 | F1100 A1455 D1456 L1462 R1463 V1469 I1487 I1489 | F1100-I1459 HydrophobicContact CD2-CD1 4.13Å; F1100-I1459 HydrophobicContact CE2-CD1 3.77Å; F1100-I1459 HydrophobicContact CZ-CD1 4.35Å; A1455-I1459 VanDerWaalsContact O-CG1 3.28Å; A1455-I1459 WeakPolarHBondContact O-CG1 3.49Å; A1455-I1459 PolarHBondContact O-N 3.29Å; D1456-I1459 PolarHBondContact O-N 2.85Å; I1459-L1462 PolarHBondContact O-N 2.79Å; I1459-R1463 WeakPolarHBondContact O-CG 3.47Å; I1459-R1463 PolarHBondContact O-N 2.83Å; I1459-V1469 HydrophobicContact CD1-CG1 3.63Å; I1459-I1487 HydrophobicContact CG1-CB 4.41Å; I1459-I1487 HydrophobicContact CG1-CD1 4.29Å; I1459-I1487 HydrophobicContact CG1-CG1 4.36Å; I1459-I1487 WeakPolarHBondContact CG2-O 3.5Å; I1459-I1489 HydrophobicContact CD1-CD1 3.76Å; I1459-I1489 HydrophobicContact CD1-CG1 3.98Å; I1459-I1489 HydrophobicContact CG1-CD1 4.43Å; I1459-I1489 HydrophobicContact CG1-CG1 4.34Å; I1459-I1489 HydrophobicContact CG2-CG1 3.92Å |
| 1460 | A | 89.2 | Confident | 88.2 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 7% | 0.066 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1456 I1458 L1462 R1463 H1464 Y1840 | D1456-A1460 VanDerWaalsContact O-CB 3.3Å; D1456-A1460 WeakPolarHBondContact O-CB 3.41Å; D1456-A1460 PolarHBondContact O-N 3.03Å; I1458-A1460 VanDerWaalsContact C-N 3.32Å; I1458-A1460 PolarHBondContact O-N 3.44Å; A1460-L1462 PolarHBondContact O-N 3.28Å; A1460-R1463 PolarHBondContact O-N 3.21Å; A1460-H1464 WeakPolarHBondContact O-CB 3.4Å; A1460-H1464 PolarHBondContact O-N 2.85Å; A1460-Y1840 HydrophobicContact CB-CD2 4.09Å; A1460-Y1840 HydrophobicContact CB-CG 4.36Å |
| 1461 | A | 89.7 | Confident | 88.8 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.9 | -34.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1457 I1458 R1465 L1835 | L1457-A1461 VanDerWaalsContact O-CB 3.29Å; L1457-A1461 WeakPolarHBondContact O-CB 3.27Å; L1457-A1461 PolarHBondContact O-N 3.22Å; I1458-A1461 PolarHBondContact O-N 3.25Å; A1461-R1465 WeakPolarHBondContact O-CB 3.49Å; A1461-R1465 VanDerWaalsContact O-CG 3.24Å; A1461-R1465 WeakPolarHBondContact O-CG 3.3Å; A1461-R1465 PolarHBondContact O-N 3.05Å; A1461-L1835 HydrophobicContact CB-CB 4.29Å; A1461-L1835 HydrophobicContact CB-CD2 4.34Å |
| 1462 | L | 91.2 | Very high | 89 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.6 | -44.1 | 174.3 | -71.2 | 172.5 | 0 | 0 | 0 | 111.9 | I1098 F1100 I1458 I1459 A1460 R1465 G1466 I1467 V1469 V1755 I1758 | I1098-L1462 HydrophobicContact CD1-CD1 4.03Å; I1098-L1462 HydrophobicContact CD1-CD2 3.81Å; I1098-L1462 HydrophobicContact CD1-CG 4.49Å; F1100-L1462 HydrophobicContact CE2-CD1 3.91Å; F1100-L1462 HydrophobicContact CZ-CD1 3.73Å; I1458-L1462 HydrophobicContact CG2-CD1 4.01Å; I1458-L1462 HydrophobicContact CG2-CG 4.42Å; I1458-L1462 WeakPolarHBondContact O-CB 3.24Å; I1458-L1462 WeakPolarHBondContact O-CG 3.19Å; I1458-L1462 PolarHBondContact O-N 2.63Å; I1459-L1462 PolarHBondContact O-N 2.79Å; A1460-L1462 PolarHBondContact O-N 3.28Å; L1462-R1465 CarbonylContact O-C 3.57Å; L1462-R1465 WeakPolarHBondContact O-CB 3.5Å; L1462-R1465 PolarHBondContact O-N 3.28Å; L1462-G1466 PolarHBondContact O-N 2.9Å; L1462-I1467 HydrophobicContact CD2-CD1 4.02Å; L1462-I1467 WeakPolarHBondContact O-CB 3.48Å; L1462-I1467 PolarHBondContact O-N 2.84Å; L1462-I1467 VanDerWaalsContact O-N 3.09Å; L1462-V1469 HydrophobicContact CB-CG2 3.81Å; L1462-V1469 HydrophobicContact CD1-CG2 4.33Å; L1462-V1755 HydrophobicContact CD2-CG2 4.07Å; L1462-V1755 HydrophobicContact CG-CG2 4.23Å; L1462-I1758 HydrophobicContact CD2-CD1 3.93Å |
| 1463 | R | 89.4 | Confident | 88.9 | Confident | 65 Ų | 65 | 28.1 Ų | 28.1 | 25% | 0.245 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 174.2 | -76.2 | 177.3 | 164 | -127 | -18.8 | 112 | I1459 A1460 R1465 G1466 V1469 G1488 D1490 | I1459-R1463 WeakPolarHBondContact O-CG 3.47Å; I1459-R1463 PolarHBondContact O-N 2.83Å; A1460-R1463 PolarHBondContact O-N 3.21Å; R1463-R1465 VanDerWaalsContact C-N 3.29Å; R1463-R1465 PolarHBondContact O-N 3.46Å; R1463-G1466 WeakPolarHBondContact O-CA 3.21Å; R1463-G1466 PolarHBondContact O-N 2.74Å; R1463-V1469 HydrophobicContact CG-CG2 4.41Å; R1463-G1488 PolarHBondContact NE-O 3.28Å; R1463-G1488 PolarHBondContact NH1-O 3.02Å; R1463-G1488 VanDerWaalsContact NH1-O 3.11Å; R1463-D1490 IonicContact CZ-OD2 3.94Å; R1463-D1490 IonicContact NH1-OD1 3.7Å; R1463-D1490 IonicContact NH1-OD2 2.65Å; R1463-D1490 PolarHBondContact NH1-OD2 2.76Å; R1463-D1490 IonicContact NH2-OD2 2.96Å; R1463-D1490 PolarHBondContact NH2-OD2 2.73Å |
| 1464 | H | 86.6 | Confident | 88.5 | Confident | 104 Ų | 104 | 24.8 Ų | 24.8 | 48% | 0.481 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.6 | -32.6 | 176 | -176.6 | -109.4 | 0 | 0 | 0 | 112.8 | A1460 G1466 C1837 E1839 | A1460-H1464 WeakPolarHBondContact O-CB 3.4Å; A1460-H1464 PolarHBondContact O-N 2.85Å; H1464-G1466 PolarHBondContact O-N 2.93Å; H1464-C1837 HydrophobicContact CB-CB 4.05Å; H1464-C1837 PolarHBondContact ND1-SG 2.99Å; H1464-E1839 WeakPolarHBondContact CA-OE2 3.35Å; H1464-E1839 PolarHBondContact N-OE2 3.34Å |
| 1465 | R | 85.5 | Confident | 87.9 | Confident | 81 Ų | 81 | 26.3 Ų | 26.3 | 31% | 0.306 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 2.8 | 169.9 | -76.9 | 173.1 | 170.1 | -152.7 | -3.9 | 113.8 | A1461 L1462 R1463 I1467 V1755 D1759 | A1461-R1465 WeakPolarHBondContact O-CB 3.49Å; A1461-R1465 VanDerWaalsContact O-CG 3.24Å; A1461-R1465 WeakPolarHBondContact O-CG 3.3Å; A1461-R1465 PolarHBondContact O-N 3.05Å; L1462-R1465 CarbonylContact O-C 3.57Å; L1462-R1465 WeakPolarHBondContact O-CB 3.5Å; L1462-R1465 PolarHBondContact O-N 3.28Å; R1463-R1465 VanDerWaalsContact C-N 3.29Å; R1463-R1465 PolarHBondContact O-N 3.46Å; R1465-I1467 VanDerWaalsContact C-N 3.34Å; R1465-I1467 HydrophobicContact CB-CD1 4.4Å; R1465-V1755 VanDerWaalsContact NH1-CG1 3.29Å; R1465-V1755 PolarHBondContact NH1-O 3.4Å; R1465-D1759 IonicContact NH2-OD1 3.57Å |
| 1466 | G | 83.5 | Confident | 87.3 | Confident | 56 Ų | 56 | 30.1 Ų | 30.1 | 58% | 0.577 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80 | 11.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1462 R1463 H1464 | L1462-G1466 PolarHBondContact O-N 2.9Å; R1463-G1466 WeakPolarHBondContact O-CA 3.21Å; R1463-G1466 PolarHBondContact O-N 2.74Å; H1464-G1466 PolarHBondContact O-N 2.93Å |
| 1467 | I | 89.3 | Confident | 86.9 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | trans | -90.7 | 132 | -179.3 | -57.2 | 170.9 | 0 | 0 | 0 | 108.4 | I1098 L1462 R1465 I1758 | I1098-I1467 HydrophobicContact CB-CG2 4.33Å; I1098-I1467 HydrophobicContact CD1-CD1 4.34Å; I1098-I1467 HydrophobicContact CD1-CG2 3.76Å; I1098-I1467 HydrophobicContact CG1-CG2 3.75Å; L1462-I1467 HydrophobicContact CD2-CD1 4.02Å; L1462-I1467 WeakPolarHBondContact O-CB 3.48Å; L1462-I1467 PolarHBondContact O-N 2.84Å; L1462-I1467 VanDerWaalsContact O-N 3.09Å; R1465-I1467 VanDerWaalsContact C-N 3.34Å; R1465-I1467 HydrophobicContact CB-CD1 4.4Å; I1467-I1758 HydrophobicContact CD1-CD1 4.36Å; I1467-I1758 HydrophobicContact CD1-CG2 4.3Å | ||
| 1468 | R | 89.4 | Confident | 86.4 | Confident | 79 Ų | 79 | 41.7 Ų | 41.7 | 30% | 0.298 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 135.3 | 174 | -165.4 | -169.4 | -156.6 | 145.8 | -0.2 | 109.3 | T1096 T1097 I1098 E1491 T1513 | T1096-R1468 PolarHBondContact O-N 2.79Å; T1097-R1468 CarbonylContact C-O 3.42Å; T1097-R1468 WeakPolarHBondContact CA-O 3.42Å; T1097-R1468 HydrophobicContact CG2-CB 4.36Å; I1098-R1468 PolarHBondContact N-O 3.33Å; R1468-E1491 IonicContact CZ-OE1 3.26Å; R1468-E1491 VanDerWaalsContact CZ-OE1 3.27Å; R1468-E1491 IonicContact CZ-OE2 3.41Å; R1468-E1491 VanDerWaalsContact NE-CD 3.33Å; R1468-E1491 IonicContact NE-OE1 3.49Å; R1468-E1491 PolarHBondContact NE-OE1 3.02Å; R1468-E1491 IonicContact NE-OE2 2.65Å; R1468-E1491 PolarHBondContact NE-OE2 3.15Å; R1468-E1491 IonicContact NH2-OE1 3.61Å; R1468-E1491 PolarHBondContact NH2-OE1 3.06Å; R1468-E1491 IonicContact NH2-OE2 2.97Å; R1468-E1491 PolarHBondContact NH2-OE2 3.01Å; R1468-T1513 PolarHBondContact NH1-OG1 3.19Å |
| 1469 | V | 92.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132.5 | -179.5 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | I1098 F1100 I1459 L1462 R1463 I1489 | I1098-V1469 WeakPolarHBondContact O-CA 3.3Å; F1100-V1469 HydrophobicContact CD2-CG1 3.63Å; F1100-V1469 HydrophobicContact CE2-CG1 3.55Å; I1459-V1469 HydrophobicContact CD1-CG1 3.63Å; L1462-V1469 HydrophobicContact CB-CG2 3.81Å; L1462-V1469 HydrophobicContact CD1-CG2 4.33Å; R1463-V1469 HydrophobicContact CG-CG2 4.41Å; V1469-I1489 HydrophobicContact CG1-CD1 4.24Å; V1469-I1489 HydrophobicContact CG1-CG1 4.32Å |
| 1470 | A | 92.4 | Very high | 85.4 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1098 L1099 F1100 E1491 Y1493 | I1098-A1470 PolarHBondContact O-N 3.49Å; I1098-A1470 VanDerWaalsContact O-N 3.16Å; L1099-A1470 WeakPolarHBondContact CA-O 3.49Å; L1099-A1470 HydrophobicContact CD2-CB 3.94Å; F1100-A1470 PolarHBondContact N-O 3.32Å; A1470-E1491 CarbonylContact C-O 3.59Å; A1470-E1491 WeakPolarHBondContact CA-O 3.33Å; A1470-E1491 HydrophobicContact CB-CB 3.73Å; A1470-E1491 WeakPolarHBondContact CB-O 3.31Å; A1470-Y1493 HydrophobicContact CB-CE2 4.18Å |
| 1471 | L | 92 | Very high | 85.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.4 | 176.6 | -168.4 | 71.4 | 0 | 0 | 0 | 109.9 | K1102 I1106 T1473 A1480 A1484 I1489 E1491 V1492 Y1493 | K1102-L1471 HydrophobicContact CB-CD1 4.08Å; K1102-L1471 HydrophobicContact CB-CD2 4.41Å; K1102-L1471 HydrophobicContact CG-CD2 4.45Å; I1106-L1471 HydrophobicContact CD1-CD1 3.75Å; L1471-T1473 HydrophobicContact CD2-CG2 4.48Å; L1471-A1480 HydrophobicContact CD2-CB 4.14Å; L1471-A1480 WeakPolarHBondContact CD2-O 3.47Å; L1471-A1484 HydrophobicContact CD2-CB 4.29Å; L1471-I1489 HydrophobicContact CB-CD1 4.33Å; L1471-I1489 HydrophobicContact CB-CG2 4.39Å; L1471-E1491 PolarHBondContact N-O 3.3Å; L1471-V1492 HydrophobicContact CB-CG1 4.46Å; L1471-V1492 HydrophobicContact CB-CG2 4.33Å; L1471-V1492 HydrophobicContact CD2-CG1 4.34Å; L1471-Y1493 PolarHBondContact O-N 3.35Å |
| 1472 | L | 89.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 98.3 | -179.4 | 177.4 | 62.5 | 0 | 0 | 0 | 110.2 | L1099 F1100 Y1493 V1496 K1501 K1504 I1505 M1711 | L1099-L1472 HydrophobicContact CB-CB 4.46Å; L1099-L1472 HydrophobicContact CD1-CD2 4.13Å; L1099-L1472 HydrophobicContact CD2-CB 4.19Å; L1099-L1472 HydrophobicContact CD2-CD2 4.49Å; F1100-L1472 PolarHBondContact O-N 2.88Å; L1472-Y1493 CarbonylContact C-O 3.31Å; L1472-Y1493 WeakPolarHBondContact CA-O 3.43Å; L1472-V1496 HydrophobicContact CD1-CB 4.25Å; L1472-V1496 HydrophobicContact CD1-CG1 4.13Å; L1472-V1496 HydrophobicContact CD1-CG2 3.97Å; L1472-K1501 HydrophobicContact CD1-CG 4.27Å; L1472-K1501 HydrophobicContact CD2-CB 3.99Å; L1472-K1501 HydrophobicContact CD2-CG 4.19Å; L1472-K1501 HydrophobicContact CG-CB 4.38Å; L1472-K1501 HydrophobicContact CG-CD 4.43Å; L1472-K1501 HydrophobicContact CG-CG 4.02Å; L1472-K1504 HydrophobicContact CD1-CB 4.43Å; L1472-K1504 HydrophobicContact CD1-CG 4.34Å; L1472-I1505 HydrophobicContact CD2-CG1 4.5Å; L1472-M1711 HydrophobicContact CD2-SD 4.14Å |
| 1473 | T | 85.3 | Confident | 84.6 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | trans | -135.5 | 157.8 | -170.6 | -169.4 | 0 | 0 | 0 | 0 | 113.8 | D1101 K1102 L1471 D1475 A1480 Y1493 A1494 E1495 V1496 | D1101-T1473 WeakPolarHBondContact OD1-CA 3.22Å; K1102-T1473 HydrophobicContact CB-CG2 4.32Å; L1471-T1473 HydrophobicContact CD2-CG2 4.48Å; T1473-D1475 VanDerWaalsContact C-N 3.35Å; T1473-D1475 HydrophobicContact CG2-CB 4.17Å; T1473-D1475 PolarHBondContact OG1-N 3.3Å; T1473-A1480 HydrophobicContact CG2-CB 3.67Å; T1473-Y1493 PolarHBondContact N-O 2.94Å; T1473-A1494 HydrophobicContact CG2-CB 4.48Å; T1473-A1494 CarbonylContact O-C 3.52Å; T1473-A1494 WeakPolarHBondContact O-CA 3.31Å; T1473-E1495 PolarHBondContact O-N 3.1Å; T1473-V1496 PolarHBondContact O-N 2.92Å; T1473-V1496 VanDerWaalsContact O-N 3.12Å | ||
| 1474 | G | 74.4 | Confident | 84.5 | Confident | 46 Ų | 46 | 41.9 Ų | 41.9 | 47% | 0.474 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -78.9 | -17.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1496 | G1474-V1496 WeakPolarHBondContact CA-O 3.42Š|
| 1475 | D | 75.6 | Confident | 84.5 | Confident | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.342 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -70.2 | 164.9 | -176.2 | -115 | -19.6 | 0 | 0 | 0 | 113.6 | K1102 T1473 A1494 E1495 | K1102-D1475 WeakPolarHBondContact CE-OD2 3.46Å; K1102-D1475 IonicContact NZ-OD2 2.96Å; K1102-D1475 PolarHBondContact NZ-OD2 3.44Å; T1473-D1475 VanDerWaalsContact C-N 3.35Å; T1473-D1475 HydrophobicContact CG2-CB 4.17Å; T1473-D1475 PolarHBondContact OG1-N 3.3Å; D1475-A1494 WeakPolarHBondContact O-CB 3.44Å; D1475-E1495 PolarHBondContact O-N 2.8Å |
| 1476 | N | 76.5 | Confident | 84.4 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 43% | 0.428 | 22% | 0.223 | S | C | . | . | trans | -62.4 | 149.3 | -178.3 | 75.7 | 60.1 | 0 | 0 | 0 | 113.3 | R1478 S1479 A1480 | N1476-R1478 VanDerWaalsContact C-N 3.26Å; N1476-R1478 PolarHBondContact O-N 3.18Å; N1476-R1478 PolarHBondContact OD1-N 2.93Å; N1476-S1479 PolarHBondContact O-N 3.36Å; N1476-S1479 PolarHBondContact OD1-N 3.11Å; N1476-A1480 WeakPolarHBondContact O-CB 3.35Å; N1476-A1480 PolarHBondContact O-N 3.2Å | ||
| 1477 | F | 81.4 | Confident | 84.5 | Confident | 105 Ų | 105 | 39.7 Ų | 39.7 | 46% | 0.461 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61 | -30.6 | -174.8 | -176.8 | -97 | 0 | 0 | 0 | 113.6 | N1481 V1492 A1494 E1495 | F1477-N1481 HydrophobicContact CD1-CB 4.47Å; F1477-N1481 HydrophobicContact CE1-CB 4.11Å; F1477-N1481 HydrophobicContact CZ-CB 4.16Å; F1477-N1481 WeakPolarHBondContact O-CB 3.48Å; F1477-N1481 PolarHBondContact O-N 2.85Å; F1477-V1492 HydrophobicContact CE2-CB 4.42Å; F1477-V1492 HydrophobicContact CE2-CG1 4.35Å; F1477-A1494 HydrophobicContact CB-CB 3.97Å; F1477-A1494 HydrophobicContact CD2-CB 3.93Å; F1477-A1494 HydrophobicContact CG-CB 4.44Å; F1477-E1495 WeakPolarHBondContact CB-OE1 3.49Å; F1477-E1495 PolarHBondContact N-OE1 3.13Å |
| 1478 | R | 79.1 | Confident | 84.3 | Confident | 169 Ų | 169 | 40.1 Ų | 40.1 | 64% | 0.638 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -66.2 | -51.7 | 178.9 | -65.3 | -176.8 | -179.1 | 179.3 | 0.2 | 111.3 | N1476 N1481 A1482 | N1476-R1478 VanDerWaalsContact C-N 3.26Å; N1476-R1478 PolarHBondContact O-N 3.18Å; N1476-R1478 PolarHBondContact OD1-N 2.93Å; R1478-N1481 PolarHBondContact O-N 3.32Å; R1478-A1482 VanDerWaalsContact O-CB 3.32Å; R1478-A1482 WeakPolarHBondContact O-CB 3.36Å; R1478-A1482 PolarHBondContact O-N 3.14Å |
| 1479 | S | 77.5 | Confident | 84.2 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 8% | 0.077 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 177.5 | -175 | 0 | 0 | 0 | 0 | 111.6 | K1102 G1429 N1476 N1481 A1482 V1483 | K1102-S1479 PolarHBondContact NZ-OG 3.22Å; G1429-S1479 PolarHBondContact O-OG 2.81Å; N1476-S1479 PolarHBondContact O-N 3.36Å; N1476-S1479 PolarHBondContact OD1-N 3.11Å; S1479-N1481 PolarHBondContact O-N 3.15Å; S1479-A1482 PolarHBondContact O-N 3.48Å; S1479-V1483 WeakPolarHBondContact O-CG2 3.42Å; S1479-V1483 PolarHBondContact O-N 2.84Å |
| 1480 | A | 82.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1471 T1473 N1476 A1484 V1492 A1494 | L1471-A1480 HydrophobicContact CD2-CB 4.14Å; L1471-A1480 WeakPolarHBondContact CD2-O 3.47Å; T1473-A1480 HydrophobicContact CG2-CB 3.67Å; N1476-A1480 WeakPolarHBondContact O-CB 3.35Å; N1476-A1480 PolarHBondContact O-N 3.2Å; A1480-A1484 WeakPolarHBondContact O-CB 3.47Å; A1480-A1484 PolarHBondContact O-N 3.42Å; A1480-V1492 HydrophobicContact CB-CG1 3.76Å; A1480-A1494 HydrophobicContact CB-CB 3.74Å |
| 1481 | N | 86.2 | Confident | 83.5 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.8 | -38.4 | 177.6 | 176.2 | 81.6 | 0 | 0 | 0 | 112.6 | F1477 R1478 S1479 A1484 Q1485 | F1477-N1481 HydrophobicContact CD1-CB 4.47Å; F1477-N1481 HydrophobicContact CE1-CB 4.11Å; F1477-N1481 HydrophobicContact CZ-CB 4.16Å; F1477-N1481 WeakPolarHBondContact O-CB 3.48Å; F1477-N1481 PolarHBondContact O-N 2.85Å; R1478-N1481 PolarHBondContact O-N 3.32Å; S1479-N1481 PolarHBondContact O-N 3.15Å; N1481-A1484 PolarHBondContact O-N 3.16Å; N1481-Q1485 PolarHBondContact ND2-NE2 3.34Å; N1481-Q1485 WeakPolarHBondContact O-CB 3.28Å; N1481-Q1485 VanDerWaalsContact O-CG 3.32Å; N1481-Q1485 WeakPolarHBondContact O-CG 3.26Å; N1481-Q1485 PolarHBondContact O-N 3.01Å; N1481-Q1485 PolarHBondContact OD1-NE2 3.16Å |
| 1482 | A | 83.2 | Confident | 83.4 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1428 R1478 S1479 Q1485 Q1486 | Q1428-A1482 VanDerWaalsContact O-CB 3.3Å; Q1428-A1482 WeakPolarHBondContact O-CB 3.41Å; R1478-A1482 VanDerWaalsContact O-CB 3.32Å; R1478-A1482 WeakPolarHBondContact O-CB 3.36Å; R1478-A1482 PolarHBondContact O-N 3.14Å; S1479-A1482 PolarHBondContact O-N 3.48Å; A1482-Q1485 PolarHBondContact O-N 3.2Å; A1482-Q1486 WeakPolarHBondContact O-CG 3.28Å; A1482-Q1486 PolarHBondContact O-N 3.49Å; A1482-Q1486 VanDerWaalsContact O-N 3.1Å |
| 1483 | V | 84.4 | Confident | 83.4 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | K1102 I1106 I1451 S1479 Q1485 Q1486 I1487 | K1102-V1483 HydrophobicContact CD-CB 4.29Å; K1102-V1483 HydrophobicContact CD-CG1 4.36Å; K1102-V1483 HydrophobicContact CD-CG2 4.17Å; K1102-V1483 HydrophobicContact CG-CG1 4.11Å; I1106-V1483 HydrophobicContact CG2-CG1 4.2Å; I1451-V1483 HydrophobicContact CD1-CB 4.46Å; I1451-V1483 HydrophobicContact CD1-CG1 3.95Å; I1451-V1483 HydrophobicContact CD1-CG2 4.41Å; I1451-V1483 HydrophobicContact CG1-CG1 4.2Å; S1479-V1483 WeakPolarHBondContact O-CG2 3.42Å; S1479-V1483 PolarHBondContact O-N 2.84Å; V1483-Q1485 PolarHBondContact O-N 2.81Å; V1483-Q1486 PolarHBondContact O-N 3.4Å; V1483-I1487 HydrophobicContact CG1-CD1 4.49Å; V1483-I1487 WeakPolarHBondContact O-CG1 3.29Å; V1483-I1487 PolarHBondContact O-N 3.12Å |
| 1484 | A | 88.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1471 A1480 N1481 I1487 G1488 I1489 V1492 | L1471-A1484 HydrophobicContact CD2-CB 4.29Å; A1480-A1484 WeakPolarHBondContact O-CB 3.47Å; A1480-A1484 PolarHBondContact O-N 3.42Å; N1481-A1484 PolarHBondContact O-N 3.16Å; A1484-I1487 PolarHBondContact O-N 3.29Å; A1484-G1488 PolarHBondContact O-N 2.99Å; A1484-I1489 HydrophobicContact CB-CB 3.99Å; A1484-I1489 HydrophobicContact CB-CG2 4.3Å; A1484-I1489 PolarHBondContact O-N 2.92Å; A1484-V1492 HydrophobicContact CB-CG2 3.32Å |
| 1485 | Q | 85 | Confident | 83.7 | Confident | 127 Ų | 127 | 54 Ų | 54 | 59% | 0.593 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66.7 | -36.4 | 176.3 | -72.9 | -178.3 | 9.5 | 0 | 0 | 112.3 | N1481 A1482 V1483 I1487 G1488 | N1481-Q1485 PolarHBondContact ND2-NE2 3.34Å; N1481-Q1485 WeakPolarHBondContact O-CB 3.28Å; N1481-Q1485 VanDerWaalsContact O-CG 3.32Å; N1481-Q1485 WeakPolarHBondContact O-CG 3.26Å; N1481-Q1485 PolarHBondContact O-N 3.01Å; N1481-Q1485 PolarHBondContact OD1-NE2 3.16Å; A1482-Q1485 PolarHBondContact O-N 3.2Å; V1483-Q1485 PolarHBondContact O-N 2.81Å; Q1485-I1487 PolarHBondContact O-N 3.5Å; Q1485-G1488 PolarHBondContact O-N 3.32Å |
| 1486 | Q | 83.2 | Confident | 83.7 | Confident | 65 Ų | 65 | 52 Ų | 52 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.5 | -19 | 176.6 | -72.1 | -171.5 | 39.9 | 0 | 0 | 114.5 | I1451 A1482 V1483 F1843 R1847 | I1451-Q1486 HydrophobicContact CD1-CB 3.9Å; A1482-Q1486 WeakPolarHBondContact O-CG 3.28Å; A1482-Q1486 PolarHBondContact O-N 3.49Å; A1482-Q1486 VanDerWaalsContact O-N 3.1Å; V1483-Q1486 PolarHBondContact O-N 3.4Å; Q1486-F1843 WeakPolarHBondContact O-CZ 3.39Å; Q1486-R1847 PolarHBondContact O-NH1 3.44Å; Q1486-R1847 VanDerWaalsContact O-NH1 3.09Å |
| 1487 | I | 86.8 | Confident | 83.4 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -117.1 | 1.7 | 178.8 | 65.7 | -173.1 | 0 | 0 | 0 | 114.2 | I1106 I1451 A1455 D1456 I1459 V1483 A1484 Q1485 I1489 | I1106-I1487 HydrophobicContact CD1-CD1 3.95Å; I1106-I1487 HydrophobicContact CG2-CD1 3.83Å; I1451-I1487 HydrophobicContact CD1-CG2 4.13Å; I1451-I1487 HydrophobicContact CG2-CG2 3.74Å; A1455-I1487 HydrophobicContact CB-CG2 4.29Å; D1456-I1487 HydrophobicContact CB-CB 4.23Å; D1456-I1487 HydrophobicContact CB-CG2 4.31Å; I1459-I1487 HydrophobicContact CG1-CB 4.41Å; I1459-I1487 HydrophobicContact CG1-CD1 4.29Å; I1459-I1487 HydrophobicContact CG1-CG1 4.36Å; I1459-I1487 WeakPolarHBondContact CG2-O 3.5Å; V1483-I1487 HydrophobicContact CG1-CD1 4.49Å; V1483-I1487 WeakPolarHBondContact O-CG1 3.29Å; V1483-I1487 PolarHBondContact O-N 3.12Å; A1484-I1487 PolarHBondContact O-N 3.29Å; Q1485-I1487 PolarHBondContact O-N 3.5Å; I1487-I1489 HydrophobicContact CD1-CD1 3.73Å; I1487-I1489 HydrophobicContact CD1-CG1 4.24Å; I1487-I1489 HydrophobicContact CG1-CD1 4.13Å; I1487-I1489 HydrophobicContact CG1-CG1 4.07Å |
| 1488 | G | 84.5 | Confident | 82.5 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 31.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1463 A1484 Q1485 | R1463-G1488 PolarHBondContact NE-O 3.28Å; R1463-G1488 PolarHBondContact NH1-O 3.02Å; R1463-G1488 VanDerWaalsContact NH1-O 3.11Å; A1484-G1488 PolarHBondContact O-N 2.99Å; Q1485-G1488 PolarHBondContact O-N 3.32Å |
| 1489 | I | 88.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | trans | -91.3 | 122.7 | 168.4 | -65.9 | 175.8 | 0 | 0 | 0 | 109.9 | I1106 I1459 V1469 L1471 A1484 I1487 E1491 V1492 | I1106-I1489 HydrophobicContact CD1-CD1 4.29Å; I1459-I1489 HydrophobicContact CD1-CD1 3.76Å; I1459-I1489 HydrophobicContact CD1-CG1 3.98Å; I1459-I1489 HydrophobicContact CG1-CD1 4.43Å; I1459-I1489 HydrophobicContact CG1-CG1 4.34Å; I1459-I1489 HydrophobicContact CG2-CG1 3.92Å; V1469-I1489 HydrophobicContact CG1-CD1 4.24Å; V1469-I1489 HydrophobicContact CG1-CG1 4.32Å; L1471-I1489 HydrophobicContact CB-CD1 4.33Å; L1471-I1489 HydrophobicContact CB-CG2 4.39Å; A1484-I1489 HydrophobicContact CB-CB 3.99Å; A1484-I1489 HydrophobicContact CB-CG2 4.3Å; A1484-I1489 PolarHBondContact O-N 2.92Å; I1487-I1489 HydrophobicContact CD1-CD1 3.73Å; I1487-I1489 HydrophobicContact CD1-CG1 4.24Å; I1487-I1489 HydrophobicContact CG1-CD1 4.13Å; I1487-I1489 HydrophobicContact CG1-CG1 4.07Å; I1489-E1491 WeakPolarHBondContact CG2-O 3.42Å; I1489-V1492 HydrophobicContact CG2-CG2 4.48Å | ||
| 1490 | D | 80.9 | Confident | 81.4 | Confident | 126 Ų | 126 | 49.3 Ų | 49.3 | 67% | 0.674 | 27% | 0.266 | S | S | * | . | trans | -88.2 | -16.4 | 177.7 | -50.3 | -61.6 | 0 | 0 | 0 | 114.4 | R1463 | R1463-D1490 IonicContact CZ-OD2 3.94Å; R1463-D1490 IonicContact NH1-OD1 3.7Å; R1463-D1490 IonicContact NH1-OD2 2.65Å; R1463-D1490 PolarHBondContact NH1-OD2 2.76Å; R1463-D1490 IonicContact NH2-OD2 2.96Å; R1463-D1490 PolarHBondContact NH2-OD2 2.73Å | ||
| 1491 | E | 88.8 | Confident | 81.1 | Confident | 54 Ų | 54 | 49.6 Ų | 49.6 | 25% | 0.252 | 27% | 0.267 | S | S | . | . | trans | -119.4 | 115.1 | -172.8 | -75.2 | 177.5 | -163.8 | 0 | 0 | 110.4 | R1468 A1470 L1471 I1489 | R1468-E1491 IonicContact CZ-OE1 3.26Å; R1468-E1491 VanDerWaalsContact CZ-OE1 3.27Å; R1468-E1491 IonicContact CZ-OE2 3.41Å; R1468-E1491 VanDerWaalsContact NE-CD 3.33Å; R1468-E1491 IonicContact NE-OE1 3.49Å; R1468-E1491 PolarHBondContact NE-OE1 3.02Å; R1468-E1491 IonicContact NE-OE2 2.65Å; R1468-E1491 PolarHBondContact NE-OE2 3.15Å; R1468-E1491 IonicContact NH2-OE1 3.61Å; R1468-E1491 PolarHBondContact NH2-OE1 3.06Å; R1468-E1491 IonicContact NH2-OE2 2.97Å; R1468-E1491 PolarHBondContact NH2-OE2 3.01Å; A1470-E1491 CarbonylContact C-O 3.59Å; A1470-E1491 WeakPolarHBondContact CA-O 3.33Å; A1470-E1491 HydrophobicContact CB-CB 3.73Å; A1470-E1491 WeakPolarHBondContact CB-O 3.31Å; L1471-E1491 PolarHBondContact N-O 3.3Å; I1489-E1491 WeakPolarHBondContact CG2-O 3.42Å | ||
| 1492 | V | 89.8 | Confident | 80.3 | Confident | 24 Ų | 24 | 48 Ų | 48 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.8 | -174.7 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | L1471 F1477 A1480 A1484 I1489 A1494 | L1471-V1492 HydrophobicContact CB-CG1 4.46Å; L1471-V1492 HydrophobicContact CB-CG2 4.33Å; L1471-V1492 HydrophobicContact CD2-CG1 4.34Å; F1477-V1492 HydrophobicContact CE2-CB 4.42Å; F1477-V1492 HydrophobicContact CE2-CG1 4.35Å; A1480-V1492 HydrophobicContact CB-CG1 3.76Å; A1484-V1492 HydrophobicContact CB-CG2 3.32Å; I1489-V1492 HydrophobicContact CG2-CG2 4.48Å; V1492-A1494 HydrophobicContact CG1-CB 4.36Å |
| 1493 | Y | 89.9 | Confident | 79.9 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 110.4 | 170 | -53.8 | -70.9 | 0 | 0 | 0 | 107.7 | A1470 L1471 L1472 T1473 K1504 | A1470-Y1493 HydrophobicContact CB-CE2 4.18Å; L1471-Y1493 PolarHBondContact O-N 3.35Å; L1472-Y1493 CarbonylContact C-O 3.31Å; L1472-Y1493 WeakPolarHBondContact CA-O 3.43Å; T1473-Y1493 PolarHBondContact N-O 2.94Å; Y1493-K1504 HydrophobicContact CD1-CD 4.32Å; Y1493-K1504 HydrophobicContact CE1-CD 4.45Å; Y1493-K1504 HydrophobicContact CG-CG 4.49Å |
| 1494 | A | 84.7 | Confident | 79.8 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 17% | 0.165 | 29% | 0.286 | C | S | . | . | trans | -118.2 | 169.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T1473 D1475 F1477 A1480 V1492 V1496 | T1473-A1494 HydrophobicContact CG2-CB 4.48Å; T1473-A1494 CarbonylContact O-C 3.52Å; T1473-A1494 WeakPolarHBondContact O-CA 3.31Å; D1475-A1494 WeakPolarHBondContact O-CB 3.44Å; F1477-A1494 HydrophobicContact CB-CB 3.97Å; F1477-A1494 HydrophobicContact CD2-CB 3.93Å; F1477-A1494 HydrophobicContact CG-CB 4.44Å; A1480-A1494 HydrophobicContact CB-CB 3.74Å; V1492-A1494 HydrophobicContact CG1-CB 4.36Å; A1494-V1496 VanDerWaalsContact O-CG2 3.24Å; A1494-V1496 WeakPolarHBondContact O-CG2 3.44Å; A1494-V1496 PolarHBondContact O-N 3.12Å | ||
| 1495 | E | 80.5 | Confident | 79.5 | Confident | 129 Ų | 129 | 53.5 Ų | 53.5 | 60% | 0.603 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 58.9 | 33.4 | -180 | -62.7 | 156.7 | -152.3 | 0 | 0 | 112.3 | T1473 D1475 F1477 | T1473-E1495 PolarHBondContact O-N 3.1Å; D1475-E1495 PolarHBondContact O-N 2.8Å; F1477-E1495 WeakPolarHBondContact CB-OE1 3.49Å; F1477-E1495 PolarHBondContact N-OE1 3.13Å |
| 1496 | V | 75.7 | Confident | 79.2 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 13% | 0.127 | 28% | 0.279 | C | S | . | . | trans | -101.9 | 115.3 | -172.5 | -164.5 | 0 | 0 | 0 | 0 | 112.6 | L1472 T1473 G1474 A1494 H1500 K1501 | L1472-V1496 HydrophobicContact CD1-CB 4.25Å; L1472-V1496 HydrophobicContact CD1-CG1 4.13Å; L1472-V1496 HydrophobicContact CD1-CG2 3.97Å; T1473-V1496 PolarHBondContact O-N 2.92Å; T1473-V1496 VanDerWaalsContact O-N 3.12Å; G1474-V1496 WeakPolarHBondContact CA-O 3.42Å; A1494-V1496 VanDerWaalsContact O-CG2 3.24Å; A1494-V1496 WeakPolarHBondContact O-CG2 3.44Å; A1494-V1496 PolarHBondContact O-N 3.12Å; V1496-H1500 HydrophobicContact CG1-CB 3.56Å; V1496-K1501 HydrophobicContact CB-CG 4.28Å; V1496-K1501 HydrophobicContact CG1-CB 4.5Å; V1496-K1501 HydrophobicContact CG1-CG 3.84Å | ||
| 1497 | L | 71 | Confident | 79.2 | Confident | 116 Ų | 116 | 53.2 Ų | 53.2 | 61% | 0.607 | 28% | 0.284 | S | S | * | . | trans | -64.8 | 153.5 | 171.2 | -67 | 170.6 | 0 | 0 | 0 | 112.5 | G1499 H1500 K1501 | L1497-G1499 PolarHBondContact O-N 3.28Å; L1497-H1500 CarbonylContact O-C 3.6Å; L1497-H1500 WeakPolarHBondContact O-CA 3.34Å; L1497-H1500 WeakPolarHBondContact O-CB 3.37Å; L1497-H1500 PolarHBondContact O-N 2.91Å; L1497-K1501 PolarHBondContact O-N 3.07Å | ||
| 1498 | P | 61.5 | Low | 79 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -50.6 | -45.7 | -176.9 | -31.5 | 37.2 | 0 | 0 | 0 | 115.4 | H1500 K1501 A1502 N1717 P1720 | P1498-H1500 VanDerWaalsContact C-N 3.34Å; P1498-H1500 PolarHBondContact O-N 3.33Å; P1498-K1501 WeakPolarHBondContact O-CB 3.32Å; P1498-K1501 PolarHBondContact O-N 3.46Å; P1498-A1502 PolarHBondContact O-N 2.79Å; P1498-N1717 WeakPolarHBondContact CB-O 3.31Å; P1498-N1717 HydrophobicContact CG-CB 4.18Å; P1498-P1720 HydrophobicContact CB-CG 4.44Å |
| 1499 | G | 59.9 | Low | 78.9 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1497 K1501 A1502 D1503 | L1497-G1499 PolarHBondContact O-N 3.28Å; G1499-K1501 VanDerWaalsContact C-N 3.31Å; G1499-K1501 PolarHBondContact O-N 3.34Å; G1499-A1502 PolarHBondContact O-N 2.92Å; G1499-D1503 PolarHBondContact O-N 3.38Å; G1499-D1503 VanDerWaalsContact O-N 3.08Å |
| 1500 | H | 73.5 | Confident | 78.2 | Confident | 106 Ų | 106 | 59.6 Ų | 59.6 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.8 | -25.3 | 176 | -63.4 | 156.2 | 0 | 0 | 0 | 112.8 | V1496 L1497 P1498 K1504 | V1496-H1500 HydrophobicContact CG1-CB 3.56Å; L1497-H1500 CarbonylContact O-C 3.6Å; L1497-H1500 WeakPolarHBondContact O-CA 3.34Å; L1497-H1500 WeakPolarHBondContact O-CB 3.37Å; L1497-H1500 PolarHBondContact O-N 2.91Å; P1498-H1500 VanDerWaalsContact C-N 3.34Å; P1498-H1500 PolarHBondContact O-N 3.33Å; H1500-K1504 WeakPolarHBondContact O-CB 3.44Å; H1500-K1504 PolarHBondContact O-N 3.32Å |
| 1501 | K | 77 | Confident | 77.4 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 170.5 | -67.1 | -173.4 | 169.4 | -178.4 | 0 | 110.6 | D1101 L1472 V1496 L1497 P1498 G1499 K1504 I1505 D1718 A1721 | D1101-K1501 IonicContact OD1-NZ 2.67Å; D1101-K1501 PolarHBondContact OD1-NZ 3.07Å; L1472-K1501 HydrophobicContact CD1-CG 4.27Å; L1472-K1501 HydrophobicContact CD2-CB 3.99Å; L1472-K1501 HydrophobicContact CD2-CG 4.19Å; L1472-K1501 HydrophobicContact CG-CB 4.38Å; L1472-K1501 HydrophobicContact CG-CD 4.43Å; L1472-K1501 HydrophobicContact CG-CG 4.02Å; V1496-K1501 HydrophobicContact CB-CG 4.28Å; V1496-K1501 HydrophobicContact CG1-CB 4.5Å; V1496-K1501 HydrophobicContact CG1-CG 3.84Å; L1497-K1501 PolarHBondContact O-N 3.07Å; P1498-K1501 WeakPolarHBondContact O-CB 3.32Å; P1498-K1501 PolarHBondContact O-N 3.46Å; G1499-K1501 VanDerWaalsContact C-N 3.31Å; G1499-K1501 PolarHBondContact O-N 3.34Å; K1501-K1504 PolarHBondContact O-N 3.45Å; K1501-I1505 PolarHBondContact O-N 3.35Å; K1501-I1505 VanDerWaalsContact O-N 3.08Å; K1501-D1718 IonicContact NZ-OD1 3.69Å; K1501-D1718 PolarHBondContact NZ-OD1 2.75Å; K1501-D1718 IonicContact NZ-OD2 2.63Å; K1501-A1721 HydrophobicContact CB-CB 3.81Å |
| 1502 | A | 68.9 | Low | 75.6 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1498 G1499 K1504 I1505 K1506 P1720 Q1724 | P1498-A1502 PolarHBondContact O-N 2.79Å; G1499-A1502 PolarHBondContact O-N 2.92Å; A1502-K1504 VanDerWaalsContact C-N 3.28Å; A1502-K1504 PolarHBondContact O-N 3.03Å; A1502-I1505 PolarHBondContact O-N 2.64Å; A1502-K1506 WeakPolarHBondContact O-CB 3.49Å; A1502-K1506 PolarHBondContact O-N 3.27Å; A1502-P1720 WeakPolarHBondContact CB-O 3.25Å; A1502-Q1724 HydrophobicContact CB-CB 4.04Å; A1502-Q1724 HydrophobicContact CB-CG 4.17Å; A1502-Q1724 WeakPolarHBondContact O-CG 3.4Å |
| 1503 | D | 74.8 | Confident | 73.7 | Confident | 100 Ų | 100 | 58.5 Ų | 58.5 | 54% | 0.535 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 173.7 | -84 | -31.6 | 0 | 0 | 0 | 112.7 | G1499 K1506 E1507 | G1499-D1503 PolarHBondContact O-N 3.38Å; G1499-D1503 VanDerWaalsContact O-N 3.08Å; D1503-K1506 CarbonylContact O-C 3.58Å; D1503-K1506 WeakPolarHBondContact O-CB 3.32Å; D1503-K1506 PolarHBondContact O-N 3.1Å; D1503-E1507 PolarHBondContact O-N 2.7Å |
| 1504 | K | 82.3 | Confident | 71.2 | Confident | 38 Ų | 38 | 62 Ų | 62 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 178.5 | -167.5 | 71.5 | -147.6 | 169.6 | 0 | 112.4 | L1472 Y1493 H1500 K1501 A1502 K1506 E1507 L1508 | L1472-K1504 HydrophobicContact CD1-CB 4.43Å; L1472-K1504 HydrophobicContact CD1-CG 4.34Å; Y1493-K1504 HydrophobicContact CD1-CD 4.32Å; Y1493-K1504 HydrophobicContact CE1-CD 4.45Å; Y1493-K1504 HydrophobicContact CG-CG 4.49Å; H1500-K1504 WeakPolarHBondContact O-CB 3.44Å; H1500-K1504 PolarHBondContact O-N 3.32Å; K1501-K1504 PolarHBondContact O-N 3.45Å; A1502-K1504 VanDerWaalsContact C-N 3.28Å; A1502-K1504 PolarHBondContact O-N 3.03Å; K1504-K1506 VanDerWaalsContact C-N 3.35Å; K1504-E1507 IonicContact NZ-OE1 3.96Å; K1504-E1507 PolarHBondContact NZ-OE1 3.41Å; K1504-E1507 IonicContact NZ-OE2 2.71Å; K1504-E1507 PolarHBondContact NZ-OE2 3.01Å; K1504-E1507 WeakPolarHBondContact O-CB 3.3Å; K1504-E1507 PolarHBondContact O-N 3.49Å; K1504-L1508 HydrophobicContact CG-CD1 4.47Å; K1504-L1508 WeakPolarHBondContact O-CG 3.42Å; K1504-L1508 PolarHBondContact O-N 2.86Å |
| 1505 | I | 83 | Confident | 68.7 | Low | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 171.1 | -71.1 | 167.7 | 0 | 0 | 0 | 110.2 | L1099 L1472 K1501 A1502 E1507 L1508 Q1509 V1709 M1711 A1721 Q1724 | L1099-I1505 HydrophobicContact CD1-CD1 4.34Å; L1099-I1505 HydrophobicContact CD1-CG1 3.51Å; L1472-I1505 HydrophobicContact CD2-CG1 4.5Å; K1501-I1505 PolarHBondContact O-N 3.35Å; K1501-I1505 VanDerWaalsContact O-N 3.08Å; A1502-I1505 PolarHBondContact O-N 2.64Å; I1505-E1507 VanDerWaalsContact C-N 3.3Å; I1505-E1507 PolarHBondContact O-N 2.8Å; I1505-L1508 PolarHBondContact O-N 3.06Å; I1505-L1508 VanDerWaalsContact O-N 3.11Å; I1505-Q1509 WeakPolarHBondContact O-CG 3.1Å; I1505-Q1509 PolarHBondContact O-N 2.94Å; I1505-V1709 HydrophobicContact CG2-CB 4.49Å; I1505-V1709 HydrophobicContact CG2-CG1 4.22Å; I1505-M1711 HydrophobicContact CD1-CB 3.86Å; I1505-M1711 HydrophobicContact CD1-CG 4.1Å; I1505-M1711 HydrophobicContact CD1-SD 4.35Å; I1505-A1721 HydrophobicContact CD1-CB 3.7Å; I1505-A1721 WeakPolarHBondContact CD1-O 3.2Å; I1505-Q1724 HydrophobicContact CG2-CG 4.28Å; I1505-Q1724 WeakPolarHBondContact CG2-O 3.43Å |
| 1506 | K | 78.7 | Confident | 66.4 | Low | 100 Ų | 100 | 77.4 Ų | 77.4 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.6 | -35.2 | 177.8 | -149.1 | 171.1 | -160.7 | 146.1 | 0 | 112.4 | A1502 D1503 K1504 N1510 Q1724 | A1502-K1506 WeakPolarHBondContact O-CB 3.49Å; A1502-K1506 PolarHBondContact O-N 3.27Å; D1503-K1506 CarbonylContact O-C 3.58Å; D1503-K1506 WeakPolarHBondContact O-CB 3.32Å; D1503-K1506 PolarHBondContact O-N 3.1Å; K1504-K1506 VanDerWaalsContact C-N 3.35Å; K1506-N1510 PolarHBondContact O-ND2 3.35Å; K1506-Q1724 HydrophobicContact CB-CG 4.41Å; K1506-Q1724 VanDerWaalsContact CE-OE1 3.23Å |
| 1507 | E | 82.5 | Confident | 64.1 | Low | 87 Ų | 87 | 87.7 Ų | 87.7 | 41% | 0.407 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 170.6 | -167.9 | -163.9 | 132.1 | 0 | 0 | 110.9 | D1503 K1504 I1505 N1510 C1511 | D1503-E1507 PolarHBondContact O-N 2.7Å; K1504-E1507 IonicContact NZ-OE1 3.96Å; K1504-E1507 PolarHBondContact NZ-OE1 3.41Å; K1504-E1507 IonicContact NZ-OE2 2.71Å; K1504-E1507 PolarHBondContact NZ-OE2 3.01Å; K1504-E1507 WeakPolarHBondContact O-CB 3.3Å; K1504-E1507 PolarHBondContact O-N 3.49Å; I1505-E1507 VanDerWaalsContact C-N 3.3Å; I1505-E1507 PolarHBondContact O-N 2.8Å; E1507-N1510 CarbonylContact O-C 3.58Å; E1507-N1510 PolarHBondContact O-N 3.42Å; E1507-C1511 WeakPolarHBondContact O-CB 3.29Å; E1507-C1511 PolarHBondContact O-N 2.87Å |
| 1508 | L | 83.2 | Confident | 62 | Low | 12 Ų | 12 | 89 Ų | 89 | 6% | 0.063 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | -177 | -73.7 | 165.2 | 0 | 0 | 0 | 112.9 | L1099 K1504 I1505 N1510 C1511 V1709 | L1099-L1508 HydrophobicContact CD1-CD1 3.9Å; L1099-L1508 HydrophobicContact CD2-CD1 3.99Å; L1099-L1508 HydrophobicContact CG-CD1 4.4Å; K1504-L1508 HydrophobicContact CG-CD1 4.47Å; K1504-L1508 WeakPolarHBondContact O-CG 3.42Å; K1504-L1508 PolarHBondContact O-N 2.86Å; I1505-L1508 PolarHBondContact O-N 3.06Å; I1505-L1508 VanDerWaalsContact O-N 3.11Å; L1508-N1510 PolarHBondContact O-N 2.94Å; L1508-C1511 PolarHBondContact O-N 3.23Å; L1508-C1511 VanDerWaalsContact O-N 3.09Å; L1508-V1709 HydrophobicContact CB-CG2 4.04Å |
| 1509 | Q | 81.3 | Confident | 60.3 | Low | 15 Ų | 15 | 94.1 Ų | 94.1 | 7% | 0.07 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -53.8 | -38.6 | 173.3 | -75.5 | 169 | -19.9 | 0 | 0 | 112.3 | I1505 Q1707 V1709 Q1724 D1726 | I1505-Q1509 WeakPolarHBondContact O-CG 3.1Å; I1505-Q1509 PolarHBondContact O-N 2.94Å; Q1509-Q1707 PolarHBondContact O-N 2.92Å; Q1509-V1709 HydrophobicContact CG-CB 4.17Å; Q1509-V1709 HydrophobicContact CG-CG2 3.78Å; Q1509-Q1724 PolarHBondContact NE2-O 2.78Å; Q1509-D1726 WeakPolarHBondContact CG-OD2 3.44Å; Q1509-D1726 PolarHBondContact NE2-OD2 3.05Å |
| 1510 | N | 75 | Confident | 58.7 | Low | 133 Ų | 133 | 102.3 Ų | 102.3 | 71% | 0.711 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -88.7 | -12.2 | -180 | -72.7 | -67.2 | 0 | 0 | 0 | 114.1 | K1506 E1507 L1508 S1512 | K1506-N1510 PolarHBondContact O-ND2 3.35Å; E1507-N1510 CarbonylContact O-C 3.58Å; E1507-N1510 PolarHBondContact O-N 3.42Å; L1508-N1510 PolarHBondContact O-N 2.94Å; N1510-S1512 PolarHBondContact O-N 3.41Å |
| 1511 | C | 64.5 | Low | 56.3 | Low | 53 Ų | 53 | 105.2 Ų | 105.2 | 36% | 0.358 | 49% | 0.494 | S | S | . | . | trans | -100.1 | 91.9 | -169.5 | -167.8 | 0 | 0 | 0 | 0 | 112.9 | E1507 L1508 T1513 | E1507-C1511 WeakPolarHBondContact O-CB 3.29Å; E1507-C1511 PolarHBondContact O-N 2.87Å; L1508-C1511 PolarHBondContact O-N 3.23Å; L1508-C1511 VanDerWaalsContact O-N 3.09Å; C1511-T1513 PolarHBondContact O-N 3.01Å | ||
| 1512 | S | 49.8 | Very low | 53.7 | Low | 65 Ų | 65 | 107.3 Ų | 107.3 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | trans | -70.4 | 96.4 | 177.4 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | N1510 | N1510-S1512 PolarHBondContact O-N 3.41Š| ||
| 1513 | T | 49.5 | Very low | 51.6 | Low | 63 Ų | 63 | 112.6 Ų | 112.6 | 39% | 0.387 | 54% | 0.54 | S | S | . | . | trans | -83.3 | 122.9 | -179.1 | 13.5 | 0 | 0 | 0 | 0 | 112.7 | R1468 C1511 R1515 Q1707 | R1468-T1513 PolarHBondContact NH1-OG1 3.19Å; C1511-T1513 PolarHBondContact O-N 3.01Å; T1513-R1515 PolarHBondContact O-N 3.21Å; T1513-Q1707 PolarHBondContact OG1-NE2 3.36Å | ||
| 1514 | V | 37.8 | Very low | 49.3 | Very low | 136 Ų | 136 | 115.7 Ų | 115.7 | 82% | 0.824 | 56% | 0.555 | S | S | * | * | trans | -65.8 | 128.1 | 172.4 | 178.5 | 0 | 0 | 0 | 0 | 109.9 | R1516 | V1514-R1516 PolarHBondContact O-N 3.44Š| ||
| 1515 | R | 33 | Very low | 46.5 | Very low | 228 Ų | 228 | 122.8 Ų | 122.8 | 86% | 0.86 | 59% | 0.591 | S | S | * | * | trans | -59.3 | 99.5 | 174.9 | -87.5 | -179.1 | 164.3 | 164.9 | -4.5 | 111.2 | T1513 R1517 | T1513-R1515 PolarHBondContact O-N 3.21Å; R1515-R1517 PolarHBondContact O-N 3.21Å | ||
| 1516 | R | 30.9 | Very low | 43.7 | Very low | 244 Ų | 244 | 127.7 Ų | 127.7 | 92% | 0.921 | 63% | 0.625 | S | S | * | * | trans | -69 | 81.8 | 161.6 | -81.3 | -174.9 | 171.3 | 164.3 | -2.1 | 109.4 | V1514 N1518 | V1514-R1516 PolarHBondContact O-N 3.44Å; R1516-N1518 PolarHBondContact O-N 3.45Å | ||
| 1517 | R | 27.2 | Very low | 41.1 | Very low | 237 Ų | 237 | 132.4 Ų | 132.4 | 89% | 0.894 | 65% | 0.651 | S | S | * | * | trans | -67.3 | 104.4 | 172.9 | -154.9 | 175.6 | -162.3 | 160 | 3.4 | 107.9 | R1515 K1519 | R1515-R1517 PolarHBondContact O-N 3.21Å; R1517-K1519 PolarHBondContact O-N 2.81Å; R1517-K1519 VanDerWaalsContact O-N 3.13Å | ||
| 1518 | N | 27.7 | Very low | 38.4 | Very low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 67% | 0.671 | S | S | * | * | trans | -66.2 | 113.8 | -168.7 | -137.9 | -10.7 | 0 | 0 | 0 | 110.1 | R1516 R1520 | R1516-N1518 PolarHBondContact O-N 3.45Å; N1518-R1520 PolarHBondContact O-N 2.87Å | ||
| 1519 | K | 26.2 | Very low | 35.5 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 64% | 0.643 | 71% | 0.709 | S | S | * | * | trans | -83.3 | 48.7 | -162.6 | -152.5 | -164.3 | -167 | -131.1 | 0 | 113.4 | R1517 S1522 | R1517-K1519 PolarHBondContact O-N 2.81Å; R1517-K1519 VanDerWaalsContact O-N 3.13Å; K1519-S1522 WeakPolarHBondContact CD-OG 3.22Å; K1519-S1522 WeakPolarHBondContact CE-OG 3.34Å; K1519-S1522 WeakPolarHBondContact CG-OG 3.37Å; K1519-S1522 PolarHBondContact NZ-OG 3.35Å | ||
| 1520 | R | 25.9 | Very low | 32.9 | Very low | 219 Ų | 219 | 150.8 Ų | 150.8 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -72 | 141.8 | 162.2 | -70.7 | 179.5 | 172.4 | 160.8 | -3.3 | 107.9 | N1518 | N1518-R1520 PolarHBondContact O-N 2.87Š| ||
| 1521 | N | 23.2 | Very low | 30.4 | Very low | 167 Ų | 167 | 156.4 Ų | 156.4 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 72.7 | 50.1 | -174.3 | -52.7 | 9.3 | 0 | 0 | 0 | 116.4 | ||
| 1522 | S | 23.3 | Very low | 28.5 | Very low | 50 Ų | 50 | 160.2 Ų | 160.2 | 35% | 0.35 | 77% | 0.773 | S | S | . | * | trans | -161.1 | 58.4 | 152.8 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | K1519 | K1519-S1522 WeakPolarHBondContact CD-OG 3.22Å; K1519-S1522 WeakPolarHBondContact CE-OG 3.34Å; K1519-S1522 WeakPolarHBondContact CG-OG 3.37Å; K1519-S1522 PolarHBondContact NZ-OG 3.35Å | ||
| 1523 | T | 24.5 | Very low | 27.3 | Very low | 125 Ų | 125 | 166.1 Ų | 166.1 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | trans | -134 | 20.6 | 178.8 | -28.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1524 | I | 25.6 | Very low | 26.2 | Very low | 165 Ų | 165 | 171.1 Ų | 171.1 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -126.8 | 123.9 | 159.6 | -57.9 | 178.3 | 0 | 0 | 0 | 104.7 | ||
| 1525 | M | 23.9 | Very low | 25.5 | Very low | 188 Ų | 188 | 173.4 Ų | 173.4 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 85.3 | 59.8 | -162.3 | -60.4 | -168.3 | 152.3 | 0 | 0 | 118.1 | ||
| 1526 | S | 23.8 | Very low | 25.1 | Very low | 103 Ų | 103 | 169.4 Ų | 169.4 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -174 | 55.5 | 145.1 | 57.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1527 | M | 25 | Very low | 24.8 | Very low | 198 Ų | 198 | 166.2 Ų | 166.2 | 98% | 0.975 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -121.6 | 16.1 | 169 | -94.9 | -169.6 | 165.8 | 0 | 0 | 113.6 | ||
| 1528 | T | 24.7 | Very low | 24.5 | Very low | 136 Ų | 136 | 162.9 Ų | 162.9 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -120.5 | 25.6 | -170.5 | -25.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1529 | K | 23.2 | Very low | 24.4 | Very low | 198 Ų | 198 | 166.4 Ų | 166.4 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -150.6 | 152.4 | 167.9 | -107.7 | 166.4 | -174.3 | 175.7 | 0 | 109.7 | ||
| 1530 | M | 26 | Very low | 24.2 | Very low | 167 Ų | 167 | 164 Ų | 164 | 82% | 0.823 | 81% | 0.806 | S | S | * | * | trans | 67.5 | 28.6 | -179.3 | -55.8 | -68.1 | -82.5 | 0 | 0 | 116.8 | N1532 | M1530-N1532 PolarHBondContact O-N 3.19Š| ||
| 1531 | R | 22.4 | Very low | 24 | Very low | 251 Ų | 251 | 159.1 Ų | 159.1 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | -83.5 | 55.1 | 145.3 | -156.9 | -178.2 | -163.1 | 173.8 | 4.9 | 109.4 | ||||
| 1532 | N | 24.3 | Very low | 24.1 | Very low | 133 Ų | 133 | 161.2 Ų | 161.2 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -165.2 | 137.8 | 177.9 | -126.4 | -25.5 | 0 | 0 | 0 | 111.8 | M1530 | M1530-N1532 PolarHBondContact O-N 3.19Š| ||
| 1533 | K | 26 | Very low | 24.1 | Very low | 189 Ų | 189 | 162.6 Ų | 162.6 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | 60.5 | 130.2 | -169.9 | -57.1 | 178.3 | -180 | 176.6 | 0 | 114.5 | ||||
| 1534 | K | 25.2 | Very low | 24 | Very low | 167 Ų | 167 | 162.4 Ų | 162.4 | 73% | 0.726 | 83% | 0.827 | S | S | * | * | cis | -157.1 | 146.4 | -9.8 | -107.5 | -169.1 | 178.5 | -171 | 0 | 104.5 | ||||
| 1535 | Q | 22.6 | Very low | 24 | Very low | 184 Ų | 184 | 162 Ų | 162 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | cis | 40.5 | 62 | 40.6 | -92.1 | -170.9 | -15 | 0 | 0 | 113.4 | ||||
| 1536 | N | 25.8 | Very low | 23.9 | Very low | 145 Ų | 145 | 157.2 Ų | 157.2 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | -158.5 | 151.7 | 119.8 | -92.2 | -1.7 | 0 | 0 | 0 | 109.7 | |||||
| 1537 | Q | 23.7 | Very low | 23.9 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -94.6 | 173.2 | -172.9 | -63.9 | 164.1 | -58.5 | 0 | 0 | 112.1 | ||||
| 1538 | M | 22 | Very low | 23.8 | Very low | 168 Ų | 168 | 154.5 Ų | 154.5 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | 41.5 | 108.9 | 144.1 | -71.5 | 169.5 | 156.4 | 0 | 0 | 118.9 | ||||
| 1539 | K | 25.6 | Very low | 23.9 | Very low | 217 Ų | 217 | 153.2 Ų | 153.2 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | -171.6 | 179.6 | 103.4 | -101 | 171.2 | -178.1 | -179.3 | 0 | 111.4 | |||||
| 1540 | S | 22 | Very low | 24 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -113.8 | 169.1 | -153.1 | 62.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1541 | T | 22.4 | Very low | 23.9 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | 49.4 | 104.2 | 144.1 | 49.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1542 | K | 23.5 | Very low | 24 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | 164.2 | 161.9 | 113.1 | -90.9 | 172 | -178 | -179.3 | 0 | 111.7 | |||||
| 1543 | G | 24.6 | Very low | 24.2 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 97.5 | 95.3 | 155 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1544 | C | 21.6 | Very low | 24.2 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -79 | 150.4 | 145.9 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1545 | I | 24.8 | Very low | 24.3 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | 175.8 | 129.5 | 129.3 | -93 | 158 | 0 | 0 | 0 | 111.2 | |||||
| 1546 | S | 23.2 | Very low | 24.6 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 61% | 0.608 | 76% | 0.762 | S | S | * | * | trans | 34.1 | 130.3 | 152.3 | 82.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1547 | N | 22.5 | Very low | 24.6 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | 48.5 | 148.2 | 109.8 | -55.6 | 11.1 | 0 | 0 | 0 | 120.6 | |||||
| 1548 | S | 24.4 | Very low | 24.7 | Very low | 90 Ų | 90 | 132 Ų | 132 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | cis | -176.3 | -159 | -8 | 50.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1549 | T | 26.2 | Very low | 25 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | 72.1 | 84 | 154 | 38.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1550 | D | 24.5 | Very low | 25 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | 48.1 | 141.5 | 90.7 | -47.3 | -40.6 | 0 | 0 | 0 | 119.5 | |||||
| 1551 | C | 25.6 | Very low | 25.1 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 89% | 0.892 | 73% | 0.73 | S | S | * | * | trans | -142.8 | 122.1 | 133 | -126.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1552 | V | 24.7 | Very low | 25.2 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | trans | -99.4 | 146.4 | 167.1 | 169.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1553 | T | 28.1 | Very low | 25.1 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | trans | -159.8 | 151.7 | 155.9 | 40.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1554 | N | 25.6 | Very low | 25 | Very low | 126 Ų | 126 | 129 Ų | 129 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | cis | -163.6 | 166.8 | -19.1 | -109 | 8.5 | 0 | 0 | 0 | 108.1 | ||||
| 1555 | I | 26.7 | Very low | 24.9 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 59% | 0.585 | 72% | 0.72 | S | S | * | * | cis | -166.6 | -133.5 | -38.6 | -162.8 | 169.1 | 0 | 0 | 0 | 106.4 | ||||
| 1556 | V | 28.4 | Very low | 24.8 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | 82.4 | 121.6 | 166.5 | -167.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1557 | D | 26.2 | Very low | 24.8 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | 178.2 | 176.9 | -50.3 | -86.4 | -26.6 | 0 | 0 | 0 | 106.9 | |||||
| 1558 | E | 26.9 | Very low | 24.7 | Very low | 164 Ų | 164 | 130 Ų | 130 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | cis | -124.3 | -151.1 | 1.7 | -51.8 | 178.2 | 60.8 | 0 | 0 | 110.3 | N1560 | E1558-N1560 PolarHBondContact OE1-ND2 2.86Š| ||
| 1559 | S | 27.5 | Very low | 24.5 | Very low | 102 Ų | 102 | 130.4 Ų | 130.4 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | cis | -160.8 | 177.8 | -6.6 | 59.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1560 | N | 26.3 | Very low | 24.5 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 67% | 0.674 | 73% | 0.728 | S | S | * | * | cis | -159.1 | 158.2 | -31.2 | -113.4 | -44.1 | 0 | 0 | 0 | 105.3 | E1558 | E1558-N1560 PolarHBondContact OE1-ND2 2.86Š| ||
| 1561 | C | 22.6 | Very low | 24.3 | Very low | 89 Ų | 89 | 135 Ų | 135 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | cis | -155.7 | -159.4 | -7.2 | -153.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1562 | Q | 24.8 | Very low | 24.9 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | 28.9 | 119 | 148.6 | -68.5 | 152.9 | 21.6 | 0 | 0 | 119.9 | ||||
| 1563 | I | 21.3 | Very low | 25 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | 62.8 | 106.8 | 51.4 | -51.7 | 171.2 | 0 | 0 | 0 | 113.6 | |||||
| 1564 | F | 22.4 | Very low | 24.8 | Very low | 199 Ų | 199 | 134 Ų | 134 | 87% | 0.873 | 72% | 0.721 | S | S | * | * | -157.7 | 162.1 | 121.2 | -128 | -91.9 | 0 | 0 | 0 | 114.5 | |||||
| 1565 | N | 21.1 | Very low | 24.8 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | trans | -88.4 | 140.8 | -165 | -104 | -49.7 | 0 | 0 | 0 | 115.2 | ||||
| 1566 | S | 22 | Very low | 24.7 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 70.1 | 168.5 | 130.5 | 89.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1567 | K | 22.5 | Very low | 24.4 | Very low | 172 Ų | 172 | 135.4 Ų | 135.4 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | cis | -168.2 | 153.6 | -15.6 | -122.7 | 173.6 | 172.3 | -180 | 0 | 109.8 | ||||
| 1568 | I | 21.5 | Very low | 24.1 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | 69.7 | 150.7 | 144.3 | -72.6 | 166.2 | 0 | 0 | 0 | 119.7 | ||||
| 1569 | S | 20.6 | Very low | 23.8 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | trans | 72.4 | 124 | 169.6 | -151 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1570 | N | 25.8 | Very low | 23.6 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | cis | -144.7 | -177.7 | 39.1 | -131.8 | -38.7 | 0 | 0 | 0 | 114.6 | ||||
| 1571 | K | 20.2 | Very low | 23.4 | Very low | 193 Ų | 193 | 139 Ų | 139 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | trans | -86.1 | 166.5 | -173.8 | -100.6 | -176.1 | 176.1 | 178.9 | 0 | 115.1 | ||||
| 1572 | P | 37.2 | Very low | 23.3 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -89.8 | -175.9 | -174.9 | 40.8 | -39.2 | 0 | 0 | 0 | 112.9 | ||||
| 1573 | P | 27.4 | Very low | 23.3 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | -149.4 | -175.9 | 95.9 | 42 | -26 | 0 | 0 | 0 | 115.8 | |||||
| 1574 | N | 23.1 | Very low | 23.4 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | 73.4 | 134.6 | 160.6 | -59.6 | -14.7 | 0 | 0 | 0 | 118.1 | ||||
| 1575 | H | 26.7 | Very low | 23.5 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | cis | -155.4 | 136.9 | -2.8 | -142.2 | -85.6 | 0 | 0 | 0 | 112.4 | ||||
| 1576 | S | 23.8 | Very low | 23.9 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | 44.4 | 138.5 | 152.3 | 52.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 1577 | K | 23.6 | Very low | 24 | Very low | 148 Ų | 148 | 142.4 Ų | 142.4 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | cis | -167.7 | 163.9 | -15.9 | -143.7 | -165.1 | 161.3 | -112.2 | 0 | 111.2 | E1579 | K1577-E1579 PolarHBondContact NZ-O 2.76Å; K1577-E1579 VanDerWaalsContact NZ-O 3.07Å; K1577-E1579 IonicContact NZ-OE2 3.14Å; K1577-E1579 PolarHBondContact NZ-OE2 3.31Å | ||
| 1578 | L | 19 | Very low | 24.2 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -99.2 | 160.5 | 152.7 | -161.9 | 82.5 | 0 | 0 | 0 | 108.7 | ||
| 1579 | E | 21.1 | Very low | 24.4 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | trans | 64.6 | 134 | 175.7 | -31.6 | 162.8 | 130.5 | 0 | 0 | 115.4 | K1577 | K1577-E1579 PolarHBondContact NZ-O 2.76Å; K1577-E1579 VanDerWaalsContact NZ-O 3.07Å; K1577-E1579 IonicContact NZ-OE2 3.14Å; K1577-E1579 PolarHBondContact NZ-OE2 3.31Å | ||
| 1580 | L | 23 | Very low | 24.6 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | -154.2 | 139.7 | 61.9 | -125.4 | 91.9 | 0 | 0 | 0 | 113.4 | |||||
| 1581 | L | 21.3 | Very low | 24.7 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | 53.3 | 162.2 | 139.6 | -86.7 | 162.8 | 0 | 0 | 0 | 124.2 | ||||
| 1582 | K | 21.4 | Very low | 24.8 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 81% | 0.809 | 72% | 0.718 | S | S | * | * | trans | -85.3 | 169.6 | -179.4 | -61.6 | 172.3 | 177.6 | 174.1 | 0 | 112.3 | ||||
| 1583 | K | 23.7 | Very low | 24.2 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | 82.6 | 145.1 | 173.7 | -52.4 | -179.9 | 176.7 | -178 | 0 | 113.2 | ||||
| 1584 | T | 24.2 | Very low | 24 | Very low | 127 Ų | 127 | 138 Ų | 138 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | cis | -150.4 | 153.4 | 3.5 | -12.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1585 | I | 25.7 | Very low | 23.9 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | -99.1 | 139.5 | 163.1 | -47.4 | 172.6 | 0 | 0 | 0 | 106.7 | ||||
| 1586 | P | 29.2 | Very low | 23.5 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | -150.9 | 140.8 | 116 | 37.2 | -19.9 | 0 | 0 | 0 | 115.9 | |||||
| 1587 | N | 24 | Very low | 23.4 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 59.1 | 149.6 | 126.9 | -59.5 | 8.7 | 0 | 0 | 0 | 121.4 | |||||
| 1588 | N | 25.5 | Very low | 23.3 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | cis | -169.4 | 164.6 | -8.9 | -114.3 | 0.4 | 0 | 0 | 0 | 113 | ||||
| 1589 | N | 25.8 | Very low | 23.4 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | trans | 68.3 | 152.7 | 144.4 | -66.9 | 2.9 | 0 | 0 | 0 | 121.1 | ||||
| 1590 | N | 24.5 | Very low | 23.4 | Very low | 120 Ų | 120 | 136 Ų | 136 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | cis | -169 | 171.7 | -30 | -106.5 | -10.8 | 0 | 0 | 0 | 111.6 | ||||
| 1591 | H | 27.8 | Very low | 23.4 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | trans | 89.1 | 138.6 | 162.5 | -58.9 | -78.6 | 0 | 0 | 0 | 118.6 | ||||
| 1592 | S | 22.5 | Very low | 23.4 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | cis | -166.7 | 130.6 | -19.1 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1593 | N | 24.5 | Very low | 23.4 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 154.3 | 115.6 | 148.6 | -83.3 | -11.8 | 0 | 0 | 0 | 108.7 | ||
| 1594 | S | 24.1 | Very low | 23.2 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 71% | 0.714 | S | S | * | * | cis | -172.4 | 150.9 | -15.7 | 41.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1595 | S | 20.4 | Very low | 23 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | cis | -174.8 | 129.7 | -21 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1596 | C | 19.7 | Very low | 22.8 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | trans | 62.8 | 155.3 | 150.5 | -55.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1597 | H | 20.5 | Very low | 22.4 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | cis | -157 | 153.7 | -1.4 | -119.5 | -49.7 | 0 | 0 | 0 | 108.5 | ||||
| 1598 | I | 21.7 | Very low | 22.4 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 67% | 0.672 | 71% | 0.706 | S | S | * | * | trans | 59.7 | 123.2 | 148.6 | -61.4 | 164.2 | 0 | 0 | 0 | 117.6 | ||||
| 1599 | E | 20.6 | Very low | 22.2 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | cis | -170.4 | 177.3 | -10.3 | -151.4 | 175.6 | -125 | 0 | 0 | 109.4 | ||||
| 1600 | N | 21.9 | Very low | 21.9 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | 65.2 | 69.6 | 158 | -62.3 | -47.6 | 0 | 0 | 0 | 120.2 | ||||
| 1601 | E | 22.2 | Very low | 21.8 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | -157 | 131.7 | 127 | -132.8 | -178.3 | -134.3 | 0 | 0 | 111.7 | Q1680 | E1601-Q1680 PolarHBondContact OE1-NE2 2.84Š| |||
| 1602 | F | 21.1 | Very low | 21.5 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 80% | 0.803 | 73% | 0.73 | S | S | * | * | trans | 168.4 | 102.3 | 144.5 | -105.1 | -67.1 | 0 | 0 | 0 | 112.2 | ||||
| 1603 | N | 21.3 | Very low | 21.5 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | 171 | 143 | 102.4 | -98.7 | -61.9 | 0 | 0 | 0 | 112.8 | |||||
| 1604 | L | 21 | Very low | 21.3 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 60% | 0.602 | 74% | 0.742 | S | S | * | * | trans | -118.2 | 106.2 | 169.5 | -178 | 128.6 | 0 | 0 | 0 | 109.5 | ||||
| 1605 | F | 19.3 | Very low | 21.1 | Very low | 202 Ų | 202 | 146.4 Ų | 146.4 | 89% | 0.886 | 74% | 0.739 | S | S | * | * | trans | -144.8 | 143 | 157.5 | -117.9 | -82.8 | 0 | 0 | 0 | 111.5 | ||||
| 1606 | N | 20.8 | Very low | 21.3 | Very low | 99 Ų | 99 | 150.5 Ų | 150.5 | 53% | 0.529 | 75% | 0.747 | S | S | . | * | trans | -95.2 | 142.3 | 178 | -94.2 | 64 | 0 | 0 | 0 | 110.1 | K1691 | N1606-K1691 PolarHBondContact OD1-NZ 3.09Š| ||
| 1607 | E | 22.3 | Very low | 21.4 | Very low | 153 Ų | 153 | 149.4 Ų | 149.4 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | trans | 166.2 | 151.5 | 134.4 | -87.9 | -152.6 | 164.1 | 0 | 0 | 107.8 | ||||
| 1608 | K | 22.5 | Very low | 21.5 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 61% | 0.613 | 74% | 0.736 | S | S | * | * | cis | -163.5 | 153.6 | -6.1 | -126.8 | 177.9 | -166.5 | 137.2 | 0 | 108.5 | ||||
| 1609 | L | 21.2 | Very low | 21.7 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | 61.9 | 161.3 | 157.8 | -64.3 | 158.4 | 0 | 0 | 0 | 116.4 | ||||
| 1610 | S | 20.9 | Very low | 21.9 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | cis | -131.2 | 178.5 | 4.4 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1611 | E | 21.5 | Very low | 22.2 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -95.6 | -172.3 | 173.3 | -66.7 | 172 | 111.1 | 0 | 0 | 111.3 | ||||
| 1612 | D | 20.8 | Very low | 22.3 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | trans | 68.5 | 137.8 | 178.6 | -53.2 | -34.2 | 0 | 0 | 0 | 115.5 | ||||
| 1613 | E | 22.6 | Very low | 22.4 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 94% | 0.939 | 73% | 0.728 | S | S | * | * | cis | -127.9 | -173.7 | 21.8 | -73.2 | -170.7 | 115 | 0 | 0 | 115.3 | ||||
| 1614 | F | 20.5 | Very low | 22.4 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | trans | -127.9 | 126.7 | -170.1 | -162.6 | -97.3 | 0 | 0 | 0 | 111.8 | ||||
| 1615 | N | 21.3 | Very low | 22.5 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | trans | 66 | 113.4 | 172.3 | -65.3 | -16.3 | 0 | 0 | 0 | 120 | ||||
| 1616 | H | 24.5 | Very low | 22.6 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | trans | -114.6 | 111.7 | 131.5 | -112.6 | -113.1 | 0 | 0 | 0 | 106.4 | ||||
| 1617 | T | 21.3 | Very low | 22.5 | Very low | 90 Ų | 90 | 148.9 Ų | 148.9 | 55% | 0.552 | 74% | 0.741 | S | S | * | * | 50.9 | 115.3 | 90.5 | 49.3 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1618 | I | 21.5 | Very low | 22.5 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | 54.3 | 111.2 | 129 | -54.7 | 165.9 | 0 | 0 | 0 | 117 | |||||
| 1619 | H | 26.6 | Very low | 22.4 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | -158.9 | 142.7 | 109.3 | -108.4 | -66.7 | 0 | 0 | 0 | 114.1 | |||||
| 1620 | N | 25.3 | Very low | 22.9 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | trans | 51 | 129.2 | 144.2 | -69.9 | 10.1 | 0 | 0 | 0 | 122.4 | ||||
| 1621 | N | 28.5 | Very low | 23.2 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | trans | 65.5 | 135.9 | 133.1 | -56.6 | -3.5 | 0 | 0 | 0 | 119.6 | ||||
| 1622 | N | 24 | Very low | 23.2 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | cis | -165.1 | 142.4 | -29.4 | -123.2 | -7.3 | 0 | 0 | 0 | 106.4 | ||||
| 1623 | T | 22.4 | Very low | 23.4 | Very low | 109 Ų | 109 | 141 Ų | 141 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | trans | 25.2 | 131.2 | 144.1 | 68.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1624 | Q | 21 | Very low | 23.6 | Very low | 169 Ų | 169 | 138.3 Ų | 138.3 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | -162.7 | 166.1 | 53.2 | -75.7 | -175.1 | 11.9 | 0 | 0 | 112.4 | |||||
| 1625 | V | 23 | Very low | 24 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 70% | 0.697 | 72% | 0.718 | S | S | * | * | trans | 67.3 | 126.5 | 145 | 159.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1626 | K | 21.9 | Very low | 24.3 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | cis | -153.7 | 136.4 | -4 | -114.3 | 167.4 | -178 | 172.1 | 0 | 110.3 | N1628 | K1626-N1628 HydrophobicContact CD-CB 4.39Å; K1626-N1628 WeakPolarHBondContact CD-OD1 3.33Å; K1626-N1628 VanDerWaalsContact CE-OD1 3.24Å; K1626-N1628 WeakPolarHBondContact CE-OD1 3.29Å; K1626-N1628 VanDerWaalsContact CG-OD1 3.3Å; K1626-N1628 WeakPolarHBondContact CG-OD1 3.05Å | ||
| 1627 | Y | 19.1 | Very low | 24.5 | Very low | 240 Ų | 240 | 134.8 Ų | 134.8 | 94% | 0.941 | 72% | 0.722 | S | S | * | * | trans | -98.1 | 80.8 | 147 | -138.5 | -79.1 | 0 | 0 | 0 | 106.9 | ||||
| 1628 | N | 22.2 | Very low | 24.7 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 57% | 0.572 | 73% | 0.726 | S | S | * | * | trans | -81.8 | 127.4 | 159.8 | -96 | 43.4 | 0 | 0 | 0 | 106.1 | K1626 | K1626-N1628 HydrophobicContact CD-CB 4.39Å; K1626-N1628 WeakPolarHBondContact CD-OD1 3.33Å; K1626-N1628 VanDerWaalsContact CE-OD1 3.24Å; K1626-N1628 WeakPolarHBondContact CE-OD1 3.29Å; K1626-N1628 VanDerWaalsContact CG-OD1 3.3Å; K1626-N1628 WeakPolarHBondContact CG-OD1 3.05Å | ||
| 1629 | G | 21.2 | Very low | 24.8 | Very low | 46 Ų | 46 | 138.9 Ų | 138.9 | 47% | 0.474 | 73% | 0.731 | S | S | . | * | cis | 81.8 | 91.3 | 11.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1630 | N | 31.5 | Very low | 25.1 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | -53.8 | 148.4 | 179.1 | -50.9 | -9.5 | 0 | 0 | 0 | 110.9 | ||||
| 1631 | P | 26 | Very low | 25.3 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | -131.1 | 153.4 | 83.8 | 38.2 | -28 | 0 | 0 | 0 | 111.2 | |||||
| 1632 | V | 22.8 | Very low | 25.3 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | S | Bend | -166.1 | 137.8 | 61.9 | 158.1 | 0 | 0 | 0 | 0 | 104.9 | |||
| 1633 | K | 24.9 | Very low | 25.3 | Very low | 179 Ų | 179 | 143.1 Ų | 143.1 | 78% | 0.778 | 74% | 0.737 | S | S | * | * | cis | -143.6 | 175.2 | 3.8 | -109.9 | 154.8 | -171.6 | 174.6 | 0 | 107.9 | ||||
| 1634 | N | 26.4 | Very low | 25.7 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 10.3 | 126.8 | 153.6 | -48 | -5 | 0 | 0 | 0 | 117 | ||||
| 1635 | T | 29.7 | Very low | 25.8 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | -149.2 | 150.7 | 57.6 | 43.4 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1636 | L | 25.7 | Very low | 26 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 90% | 0.895 | 73% | 0.725 | S | S | * | * | trans | -138.4 | 103.3 | -173.2 | -168.2 | 165.8 | 0 | 0 | 0 | 112.3 | ||||
| 1637 | S | 29.8 | Very low | 26.1 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | -168.1 | 6.7 | 156.6 | 61.1 | 0 | 0 | 0 | 0 | 116.2 | K1639 | S1637-K1639 VanDerWaalsContact C-N 3.25Å; S1637-K1639 PolarHBondContact O-N 2.99Å | ||
| 1638 | I | 26 | Very low | 26.4 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 75 | 179.2 | -46.6 | -176.5 | 0 | 0 | 0 | 111.4 | F1641 I1642 | I1638-F1641 HydrophobicContact CG2-CB 4.24Å; I1638-I1642 HydrophobicContact CG2-CB 4.35Å; I1638-I1642 HydrophobicContact CG2-CD1 3.56Å; I1638-I1642 HydrophobicContact CG2-CG1 3.68Å |
| 1639 | K | 23.3 | Very low | 26.4 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 0.6 | 172.2 | -121.3 | 173 | -174.1 | 171.2 | 0 | 115.5 | S1637 | S1637-K1639 VanDerWaalsContact C-N 3.25Å; S1637-K1639 PolarHBondContact O-N 2.99Å |
| 1640 | Q | 33.3 | Very low | 26.5 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -108 | -36.9 | 164.7 | -81 | 160.5 | -82 | 0 | 0 | 112.4 | I1642 K1643 | Q1640-I1642 PolarHBondContact O-N 3.1Å; Q1640-K1643 PolarHBondContact O-N 3.37Å |
| 1641 | F | 28 | Very low | 26.2 | Very low | 159 Ų | 159 | 138 Ų | 138 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -64.2 | -40.4 | 178.8 | -140.5 | -104.9 | 0 | 0 | 0 | 113.6 | I1638 K1643 Q1644 C1645 | I1638-F1641 HydrophobicContact CG2-CB 4.24Å; F1641-K1643 PolarHBondContact O-N 3.34Å; F1641-Q1644 PolarHBondContact O-N 2.88Å; F1641-C1645 PolarHBondContact O-N 3.42Å |
| 1642 | I | 28.2 | Very low | 26 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 55% | 0.549 | 74% | 0.74 | S | S | . | * | G | 310 helix | trans | -66.2 | -3.5 | 177.2 | -83.6 | 173 | 0 | 0 | 0 | 113.6 | I1638 Q1640 I1646 | I1638-I1642 HydrophobicContact CG2-CB 4.35Å; I1638-I1642 HydrophobicContact CG2-CD1 3.56Å; I1638-I1642 HydrophobicContact CG2-CG1 3.68Å; Q1640-I1642 PolarHBondContact O-N 3.1Å; I1642-I1646 HydrophobicContact CG2-CD1 4.18Å; I1642-I1646 WeakPolarHBondContact O-CD1 3.28Å |
| 1643 | K | 25.8 | Very low | 26 | Very low | 181 Ų | 181 | 141 Ų | 141 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -109.8 | -0.4 | -179.8 | -128.3 | -174.7 | -180 | -168.7 | 0 | 116.3 | Q1640 F1641 | Q1640-K1643 PolarHBondContact O-N 3.37Å; F1641-K1643 PolarHBondContact O-N 3.34Å |
| 1644 | Q | 29.1 | Very low | 26 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | -15.5 | 171.2 | -82.7 | 173.2 | -70.3 | 0 | 0 | 114.2 | F1641 | F1641-Q1644 PolarHBondContact O-N 2.88Š|
| 1645 | C | 24.9 | Very low | 25.8 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 49% | 0.493 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -83.6 | -10.7 | 171.4 | -61.3 | 0 | 0 | 0 | 0 | 114.4 | F1641 S1647 | F1641-C1645 PolarHBondContact O-N 3.42Å; C1645-S1647 PolarHBondContact O-N 3.36Å |
| 1646 | I | 25.6 | Very low | 25.5 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 58% | 0.579 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 68.1 | 178.5 | -49.4 | -177.5 | 0 | 0 | 0 | 110.1 | I1642 C1650 | I1642-I1646 HydrophobicContact CG2-CD1 4.18Å; I1642-I1646 WeakPolarHBondContact O-CD1 3.28Å; I1646-C1650 HydrophobicContact CG2-CB 4.46Å |
| 1647 | S | 25.5 | Very low | 25.3 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.6 | -12.4 | 167.5 | -163.2 | 0 | 0 | 0 | 0 | 115 | C1645 | C1645-S1647 PolarHBondContact O-N 3.36Š|
| 1648 | V | 24.6 | Very low | 25 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | -22.9 | -178.6 | 179.7 | 0 | 0 | 0 | 0 | 113 | ||
| 1649 | I | 23.3 | Very low | 24.9 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 82% | 0.815 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -114.1 | 63.4 | 173.9 | -48.7 | -179.3 | 0 | 0 | 0 | 109.9 | ||
| 1650 | C | 23.3 | Very low | 24.9 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | trans | -159.5 | 47.4 | 171.6 | -162.5 | 0 | 0 | 0 | 0 | 113.2 | I1646 | I1646-C1650 HydrophobicContact CG2-CB 4.46Š| ||
| 1651 | C | 24.2 | Very low | 24.3 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -135.3 | 6.9 | 169.5 | -156.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1652 | F | 22.2 | Very low | 24 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -118.1 | 161.7 | 163.1 | -89.8 | -116.7 | 0 | 0 | 0 | 107.8 | Q1857 | F1652-Q1857 HydrophobicContact CE1-CG 4.43Š|
| 1653 | T | 23.1 | Very low | 23.7 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | 55.1 | 73.6 | -176.6 | 60.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1654 | S | 25.3 | Very low | 23.6 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -153.6 | 60 | 150.4 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1655 | Q | 22 | Very low | 23.1 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -94.6 | 162.2 | 154.1 | -67.2 | 175.3 | -85.7 | 0 | 0 | 108.6 | ||||
| 1656 | H | 22.6 | Very low | 23.1 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 75% | 0.745 | 76% | 0.764 | S | S | * | * | trans | 56.9 | 96.5 | 173.8 | -56.8 | -88.1 | 0 | 0 | 0 | 116.1 | ||||
| 1657 | Y | 22.3 | Very low | 22.9 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | -171.2 | 156.4 | 98.3 | -110.1 | -86 | 0 | 0 | 0 | 110.5 | Y1660 | Y1657-Y1660 HydrophobicContact CD1-CD2 4.42Å; Y1657-Y1660 AromaticContact CD1-CE2 3.91Å; Y1657-Y1660 HydrophobicContact CD1-CE2 3.91Å; Y1657-Y1660 HydrophobicContact CE1-CD2 4.39Å; Y1657-Y1660 AromaticContact CE1-CE2 3.63Å; Y1657-Y1660 HydrophobicContact CE1-CE2 3.63Å | |||
| 1658 | N | 23.3 | Very low | 22.7 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 65.6 | 126.6 | -164 | -57 | -43 | 0 | 0 | 0 | 113.7 | ||||
| 1659 | Y | 22.4 | Very low | 22.5 | Very low | 240 Ų | 240 | 144.2 Ų | 144.2 | 94% | 0.941 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | cis | -88.9 | 145 | 9.4 | -92.5 | -100.5 | 0 | 0 | 0 | 115 | ||
| 1660 | Y | 23.3 | Very low | 22.6 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 157.1 | 171.5 | -111.6 | -97 | 0 | 0 | 0 | 112.1 | Y1657 | Y1657-Y1660 HydrophobicContact CD1-CD2 4.42Å; Y1657-Y1660 AromaticContact CD1-CE2 3.91Å; Y1657-Y1660 HydrophobicContact CD1-CE2 3.91Å; Y1657-Y1660 HydrophobicContact CE1-CD2 4.39Å; Y1657-Y1660 AromaticContact CE1-CE2 3.63Å; Y1657-Y1660 HydrophobicContact CE1-CE2 3.63Å |
| 1661 | C | 20.7 | Very low | 22.5 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 147.1 | 162.5 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1662 | T | 22.4 | Very low | 22.4 | Very low | 141 Ų | 141 | 154.2 Ų | 154.2 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -126.9 | 130.3 | 142.6 | 47.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1663 | F | 21.6 | Very low | 22.5 | Very low | 194 Ų | 194 | 154.4 Ų | 154.4 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -63.3 | 153.4 | 177 | -90.3 | -130.6 | 0 | 0 | 0 | 111.5 | ||||
| 1664 | V | 23.2 | Very low | 22.5 | Very low | 128 Ų | 128 | 155 Ų | 155 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | 175.3 | 130.5 | 106.4 | 155.3 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1665 | K | 20.5 | Very low | 22.6 | Very low | 144 Ų | 144 | 155.8 Ų | 155.8 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | trans | -85.7 | 139.7 | 164.5 | -86.2 | -168.6 | 164.1 | -156.4 | 0 | 109.6 | E1381 | E1381-K1665 IonicContact OE1-NZ 3.1Å; E1381-K1665 PolarHBondContact OE1-NZ 3.46Å | ||
| 1666 | P | 24.1 | Very low | 22.6 | Very low | 119 Ų | 119 | 155 Ų | 155 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -110.2 | 109.1 | 158.3 | 33.7 | -23.1 | 0 | 0 | 0 | 110.9 | ||||
| 1667 | L | 21.2 | Very low | 22.8 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 54% | 0.539 | 77% | 0.766 | S | S | . | * | trans | -135 | 100.1 | 153.2 | -146 | 97.7 | 0 | 0 | 0 | 109.4 | ||||
| 1668 | N | 21.1 | Very low | 23.2 | Very low | 145 Ų | 145 | 151 Ų | 151 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | 179 | 140.6 | 121.6 | -89.8 | -23.8 | 0 | 0 | 0 | 112.1 | |||||
| 1669 | S | 21 | Very low | 23.5 | Very low | 98 Ų | 98 | 152.3 Ų | 152.3 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -100 | 159 | 142.3 | 72.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1670 | L | 24.8 | Very low | 23.9 | Very low | 153 Ų | 153 | 146.4 Ų | 146.4 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | cis | -138.2 | 142.7 | 11.1 | -55.5 | 80.4 | 0 | 0 | 0 | 111.1 | ||||
| 1671 | R | 21.7 | Very low | 24.5 | Very low | 252 Ų | 252 | 146.5 Ų | 146.5 | 95% | 0.951 | 75% | 0.747 | S | S | * | * | -157 | 160 | 120.5 | -109.1 | 172.7 | -167.6 | -168.4 | 4.1 | 110.7 | |||||
| 1672 | K | 21.6 | Very low | 25.1 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 81% | 0.809 | 75% | 0.745 | S | S | * | * | trans | -86.1 | 158.4 | -155.3 | -60.9 | 175.7 | 173.1 | 179 | 0 | 114.4 | ||||
| 1673 | H | 24.1 | Very low | 25.8 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | 81.3 | 115 | 161.4 | -67.2 | -75.2 | 0 | 0 | 0 | 119.8 | ||||
| 1674 | Q | 23.6 | Very low | 26.4 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | 58.2 | 112.2 | 144.4 | -64.7 | 166.2 | -22.4 | 0 | 0 | 116.5 | ||||
| 1675 | T | 26.8 | Very low | 27 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 86% | 0.859 | 70% | 0.702 | S | S | * | * | -151.8 | 153.5 | 56.4 | 37.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1676 | T | 23 | Very low | 27.8 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 87% | 0.871 | 70% | 0.704 | S | S | * | * | trans | -115.7 | 117.7 | -174.6 | 36.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1677 | S | 27 | Very low | 28.3 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | -156.1 | -28.9 | 173.1 | 69.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 1678 | F | 30 | Very low | 28.9 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -95.3 | -45.1 | -167.2 | -128.8 | -105.8 | 0 | 0 | 0 | 115.5 | Q1680 R1681 | F1678-Q1680 PolarHBondContact O-N 3.11Å; F1678-R1681 PolarHBondContact O-N 2.98Å |
| 1679 | H | 30.2 | Very low | 29.7 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 75% | 0.75 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -31.1 | -168.4 | -114.7 | -60.9 | 0 | 0 | 0 | 114.9 | R1681 | H1679-R1681 PolarHBondContact O-N 3.33Š|
| 1680 | Q | 30.6 | Very low | 30.3 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 54% | 0.537 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -56.1 | -37.7 | 178.3 | -138.6 | 91.4 | -6.6 | 0 | 0 | 112.6 | E1601 F1678 Q1682 I1683 E1684 | E1601-Q1680 PolarHBondContact OE1-NE2 2.84Å; F1678-Q1680 PolarHBondContact O-N 3.11Å; Q1680-Q1682 PolarHBondContact O-N 3.01Å; Q1680-I1683 PolarHBondContact O-N 3.43Å; Q1680-E1684 PolarHBondContact O-N 3.15Å |
| 1681 | R | 34.8 | Very low | 30.7 | Very low | 175 Ų | 175 | 145 Ų | 145 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.1 | -20.4 | -167.3 | -75.5 | 179 | 168 | 176.3 | -1.8 | 114.3 | F1678 H1679 R1685 | F1678-R1681 PolarHBondContact O-N 2.98Å; H1679-R1681 PolarHBondContact O-N 3.33Å; R1681-R1685 WeakPolarHBondContact O-CD 3.48Å; R1681-R1685 WeakPolarHBondContact O-CG 3.2Å |
| 1682 | Q | 34.3 | Very low | 31.1 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.654 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.5 | -42 | 174 | -71.3 | -160.2 | 0.5 | 0 | 0 | 112.4 | Q1680 E1684 R1685 H1686 | Q1680-Q1682 PolarHBondContact O-N 3.01Å; Q1682-E1684 PolarHBondContact O-N 3.47Å; Q1682-R1685 PolarHBondContact O-N 2.98Å; Q1682-R1685 VanDerWaalsContact O-N 3.12Å; Q1682-H1686 PolarHBondContact O-N 3.12Å; Q1682-H1686 VanDerWaalsContact O-N 3.14Å |
| 1683 | I | 37.2 | Very low | 31.8 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 53% | 0.528 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -63.5 | -43.7 | 179.7 | -60.3 | 176.9 | 0 | 0 | 0 | 110.2 | Q1680 R1685 H1686 Q1687 | Q1680-I1683 PolarHBondContact O-N 3.43Å; I1683-R1685 VanDerWaalsContact C-N 3.31Å; I1683-R1685 PolarHBondContact O-N 3.4Å; I1683-H1686 PolarHBondContact O-N 2.73Å; I1683-Q1687 WeakPolarHBondContact O-CG 3.31Å; I1683-Q1687 PolarHBondContact O-N 2.97Å |
| 1684 | E | 33.6 | Very low | 32.1 | Very low | 77 Ų | 77 | 141 Ų | 141 | 36% | 0.36 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -56.3 | -41.4 | 172.3 | -85.9 | -139.6 | 121.6 | 0 | 0 | 113.2 | Q1680 Q1682 Q1687 K1688 | Q1680-E1684 PolarHBondContact O-N 3.15Å; Q1682-E1684 PolarHBondContact O-N 3.47Å; E1684-Q1687 PolarHBondContact O-N 2.91Å; E1684-K1688 VanDerWaalsContact O-CB 3.29Å; E1684-K1688 WeakPolarHBondContact O-CB 3.32Å; E1684-K1688 VanDerWaalsContact O-CG 3.29Å; E1684-K1688 WeakPolarHBondContact O-CG 3.47Å; E1684-K1688 PolarHBondContact O-N 3.34Å; E1684-K1688 VanDerWaalsContact OE1-CE 3.3Å; E1684-K1688 WeakPolarHBondContact OE1-CE 3.16Å; E1684-K1688 IonicContact OE1-NZ 3.67Å; E1684-K1688 PolarHBondContact OE1-NZ 3.37Å; E1684-K1688 IonicContact OE2-NZ 3.16Å; E1684-K1688 PolarHBondContact OE2-NZ 3.26Å |
| 1685 | R | 35.3 | Very low | 32.5 | Very low | 187 Ų | 187 | 138.4 Ų | 138.4 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.3 | -42.4 | -178.6 | -80.3 | 175.2 | 171.7 | 178 | -2.3 | 111.5 | R1681 Q1682 I1683 M1689 | R1681-R1685 WeakPolarHBondContact O-CD 3.48Å; R1681-R1685 WeakPolarHBondContact O-CG 3.2Å; Q1682-R1685 PolarHBondContact O-N 2.98Å; Q1682-R1685 VanDerWaalsContact O-N 3.12Å; I1683-R1685 VanDerWaalsContact C-N 3.31Å; I1683-R1685 PolarHBondContact O-N 3.4Å; R1685-M1689 WeakPolarHBondContact O-CG 3.28Å; R1685-M1689 PolarHBondContact O-N 3.46Å; R1685-M1689 VanDerWaalsContact O-N 3.07Å |
| 1686 | H | 38.1 | Very low | 32.8 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 68% | 0.676 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.7 | -36.6 | 175.4 | -101.7 | -52.5 | 0 | 0 | 0 | 113.1 | Q1682 I1683 K1690 | Q1682-H1686 PolarHBondContact O-N 3.12Å; Q1682-H1686 VanDerWaalsContact O-N 3.14Å; I1683-H1686 PolarHBondContact O-N 2.73Å; H1686-K1690 PolarHBondContact O-N 2.83Å |
| 1687 | Q | 33.8 | Very low | 33.3 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.1 | -41.4 | 175.5 | -68.6 | -172.3 | 4.8 | 0 | 0 | 112.6 | I1683 E1684 M1689 K1690 K1691 | I1683-Q1687 WeakPolarHBondContact O-CG 3.31Å; I1683-Q1687 PolarHBondContact O-N 2.97Å; E1684-Q1687 PolarHBondContact O-N 2.91Å; Q1687-M1689 PolarHBondContact O-N 2.81Å; Q1687-K1690 PolarHBondContact O-N 3.07Å; Q1687-K1691 PolarHBondContact O-N 3.07Å |
| 1688 | K | 35 | Very low | 33.5 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 47% | 0.474 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.4 | -38.7 | 177.4 | -75.7 | 169.6 | -177.9 | 168.7 | 0 | 111.9 | E1684 K1691 Y1692 | E1684-K1688 VanDerWaalsContact O-CB 3.29Å; E1684-K1688 WeakPolarHBondContact O-CB 3.32Å; E1684-K1688 VanDerWaalsContact O-CG 3.29Å; E1684-K1688 WeakPolarHBondContact O-CG 3.47Å; E1684-K1688 PolarHBondContact O-N 3.34Å; E1684-K1688 VanDerWaalsContact OE1-CE 3.3Å; E1684-K1688 WeakPolarHBondContact OE1-CE 3.16Å; E1684-K1688 IonicContact OE1-NZ 3.67Å; E1684-K1688 PolarHBondContact OE1-NZ 3.37Å; E1684-K1688 IonicContact OE2-NZ 3.16Å; E1684-K1688 PolarHBondContact OE2-NZ 3.26Å; K1688-K1691 PolarHBondContact O-N 2.83Å; K1688-K1691 VanDerWaalsContact O-N 3.16Å; K1688-Y1692 PolarHBondContact O-N 3.29Å |
| 1689 | M | 37.6 | Very low | 33.7 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 69% | 0.685 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -58.3 | -47.8 | 172.2 | -78.5 | -75.8 | -82.6 | 0 | 0 | 112.8 | R1685 Q1687 K1691 Y1692 | R1685-M1689 WeakPolarHBondContact O-CG 3.28Å; R1685-M1689 PolarHBondContact O-N 3.46Å; R1685-M1689 VanDerWaalsContact O-N 3.07Å; Q1687-M1689 PolarHBondContact O-N 2.81Å; M1689-K1691 VanDerWaalsContact C-N 3.26Å; M1689-K1691 PolarHBondContact O-N 3.4Å; M1689-Y1692 PolarHBondContact O-N 3.14Å |
| 1690 | K | 33 | Very low | 33.9 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 74% | 0.739 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.4 | -27.8 | 175.8 | -75.2 | -176.6 | 176.8 | 177.9 | 0 | 112.9 | H1686 Q1687 | H1686-K1690 PolarHBondContact O-N 2.83Å; Q1687-K1690 PolarHBondContact O-N 3.07Å |
| 1691 | K | 32.7 | Very low | 34.1 | Very low | 104 Ų | 104 | 141.8 Ų | 141.8 | 45% | 0.452 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -75.6 | -37.9 | 177.5 | -138.3 | 169.4 | -172.9 | 174 | 0 | 112.2 | N1606 Q1687 K1688 M1689 K1694 | N1606-K1691 PolarHBondContact OD1-NZ 3.09Å; Q1687-K1691 PolarHBondContact O-N 3.07Å; K1688-K1691 PolarHBondContact O-N 2.83Å; K1688-K1691 VanDerWaalsContact O-N 3.16Å; M1689-K1691 VanDerWaalsContact C-N 3.26Å; M1689-K1691 PolarHBondContact O-N 3.4Å; K1691-K1694 PolarHBondContact O-N 2.75Å |
| 1692 | Y | 31.8 | Very low | 34 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.1 | -40.9 | -176.4 | -127.5 | -91.1 | 0 | 0 | 0 | 113.4 | K1688 M1689 K1694 | K1688-Y1692 PolarHBondContact O-N 3.29Å; M1689-Y1692 PolarHBondContact O-N 3.14Å; Y1692-K1694 PolarHBondContact O-N 3.3Å |
| 1693 | Q | 34.7 | Very low | 34.1 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -19 | 176.7 | -83.4 | -176.6 | -26.9 | 0 | 0 | 114.2 | ||
| 1694 | K | 31.5 | Very low | 34.3 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 69% | 0.691 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -17.6 | -173.4 | -158.5 | 164.5 | -174.7 | 170.3 | 0 | 113.9 | K1691 Y1692 | K1691-K1694 PolarHBondContact O-N 2.75Å; Y1692-K1694 PolarHBondContact O-N 3.3Å |
| 1695 | N | 31 | Very low | 35.3 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 56% | 0.561 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -44.9 | -178.3 | -75.8 | -7.7 | 0 | 0 | 0 | 113.2 | L1697 R1698 | N1695-L1697 PolarHBondContact O-N 2.91Å; N1695-R1698 PolarHBondContact O-N 3.44Å |
| 1696 | N | 33.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 0.3 | -172.6 | -71.1 | 14.4 | 0 | 0 | 0 | 114.8 | ||
| 1697 | L | 33.1 | Very low | 39.2 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -9.4 | 173.9 | -118.3 | 75.3 | 0 | 0 | 0 | 114.5 | N1695 V1699 | N1695-L1697 PolarHBondContact O-N 2.91Å; L1697-V1699 VanDerWaalsContact C-N 3.31Å; L1697-V1699 PolarHBondContact O-N 3.39Å |
| 1698 | R | 31.4 | Very low | 41.9 | Very low | 198 Ų | 198 | 139.8 Ų | 139.8 | 75% | 0.747 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -10.1 | -172 | -89.9 | -179.3 | 161.6 | 171.1 | -6.4 | 115.8 | N1695 | N1695-R1698 PolarHBondContact O-N 3.44Š|
| 1699 | V | 35.8 | Very low | 44.5 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 80% | 0.8 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 21.6 | -170.2 | -161.3 | 0 | 0 | 0 | 0 | 112.9 | L1697 | L1697-V1699 VanDerWaalsContact C-N 3.31Å; L1697-V1699 PolarHBondContact O-N 3.39Å |
| 1700 | S | 33.2 | Very low | 47.2 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 61% | 0.606 | S | S | * | * | trans | -135.5 | 53.9 | 175.3 | -81.9 | 0 | 0 | 0 | 0 | 113.1 | K1702 | S1700-K1702 PolarHBondContact O-N 3.23Š| ||
| 1701 | L | 34 | Very low | 50 | Low | 158 Ų | 158 | 119.9 Ų | 119.9 | 83% | 0.827 | 57% | 0.571 | S | S | * | * | trans | -72.5 | 63.1 | 173.2 | -72.7 | 168.6 | 0 | 0 | 0 | 112.9 | ||||
| 1702 | K | 32.6 | Very low | 52.8 | Low | 192 Ų | 192 | 115 Ų | 115 | 84% | 0.835 | 55% | 0.549 | S | S | * | . | trans | -74.6 | 125 | 155 | -78.9 | -173.2 | 174 | -178.5 | 0 | 107.8 | S1700 S1704 | S1700-K1702 PolarHBondContact O-N 3.23Å; K1702-S1704 PolarHBondContact O-N 3.39Å | ||
| 1703 | K | 36.4 | Very low | 55.4 | Low | 220 Ų | 220 | 106 Ų | 106 | 96% | 0.957 | 51% | 0.514 | S | S | * | . | trans | -33.7 | 98.5 | -177.3 | -74.6 | -179.8 | 171.2 | 177.2 | 0 | 112.6 | ||||
| 1704 | S | 42 | Very low | 57.5 | Low | 71 Ų | 71 | 99.8 Ų | 99.8 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 130.7 | -173 | 48.8 | 0 | 0 | 0 | 0 | 111.2 | K1702 | K1702-S1704 PolarHBondContact O-N 3.39Š|
| 1705 | Q | 55.6 | Low | 59.2 | Low | 181 Ų | 181 | 93.3 Ų | 93.3 | 85% | 0.846 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 131.6 | 176.2 | -69 | 177.1 | -41.1 | 0 | 0 | 110.7 | ||
| 1706 | R | 73.5 | Confident | 60.7 | Low | 149 Ų | 149 | 92.2 Ų | 92.2 | 56% | 0.562 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 139.3 | 169 | 168.6 | 173.6 | 173.8 | 157.7 | -2.6 | 109.9 | D1726 | R1706-D1726 IonicContact CZ-OD1 3.33Å; R1706-D1726 IonicContact NE-OD1 3.17Å; R1706-D1726 PolarHBondContact NE-OD1 3.4Å; R1706-D1726 IonicContact NH2-OD1 2.72Å; R1706-D1726 PolarHBondContact NH2-OD1 3.02Å |
| 1707 | Q | 81.8 | Confident | 62.2 | Low | 26 Ų | 26 | 90.7 Ų | 90.7 | 12% | 0.121 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 138.6 | 168.1 | -68 | -167.9 | 0.8 | 0 | 0 | 109.4 | T1096 T1097 Q1509 T1513 V1709 | T1096-Q1707 WeakPolarHBondContact OG1-CB 3.27Å; T1097-Q1707 PolarHBondContact OG1-OE1 3.43Å; Q1509-Q1707 PolarHBondContact O-N 2.92Å; T1513-Q1707 PolarHBondContact OG1-NE2 3.36Å; Q1707-V1709 HydrophobicContact CB-CG2 4.42Å |
| 1708 | Y | 89 | Confident | 64.1 | Low | 70 Ų | 70 | 83.7 Ų | 83.7 | 28% | 0.275 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 117.3 | 170.3 | -78.7 | -90.4 | 0 | 0 | 0 | 107.7 | K1094 T1096 T1097 D1726 | K1094-Y1708 HydrophobicContact CB-CD1 4.14Å; K1094-Y1708 HydrophobicContact CB-CD2 3.79Å; K1094-Y1708 HydrophobicContact CB-CE1 4.31Å; K1094-Y1708 HydrophobicContact CB-CE2 3.97Å; K1094-Y1708 HydrophobicContact CB-CG 3.88Å; K1094-Y1708 HydrophobicContact CD-CE1 4.13Å; K1094-Y1708 HydrophobicContact CD-CE2 4.33Å; T1096-Y1708 PolarHBondContact N-O 3.33Å; T1096-Y1708 PolarHBondContact OG1-N 3Å; T1096-Y1708 VanDerWaalsContact OG1-N 3.1Å; T1096-Y1708 PolarHBondContact OG1-O 3.04Å; T1096-Y1708 VanDerWaalsContact OG1-O 3.12Å; T1097-Y1708 PolarHBondContact N-O 2.67Å; T1097-Y1708 VanDerWaalsContact N-O 3.13Å; Y1708-D1726 HydrophobicContact CD1-CB 3.88Å |
| 1709 | V | 91 | Very high | 65.8 | Low | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.9 | -172 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | T1097 L1099 I1505 L1508 Q1509 Q1707 D1726 | T1097-V1709 WeakPolarHBondContact O-CA 3.46Å; L1099-V1709 HydrophobicContact CD1-CG1 3.56Å; L1099-V1709 HydrophobicContact CG-CG1 4.27Å; I1505-V1709 HydrophobicContact CG2-CB 4.49Å; I1505-V1709 HydrophobicContact CG2-CG1 4.22Å; L1508-V1709 HydrophobicContact CB-CG2 4.04Å; Q1509-V1709 HydrophobicContact CG-CB 4.17Å; Q1509-V1709 HydrophobicContact CG-CG2 3.78Å; Q1707-V1709 HydrophobicContact CB-CG2 4.42Å; V1709-D1726 PolarHBondContact N-OD2 3.32Å; V1709-D1726 PolarHBondContact O-N 2.84Å |
| 1710 | A | 93.1 | Very high | 67.3 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 147.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1095 T1097 I1098 L1099 V1727 | L1095-A1710 HydrophobicContact CD1-CB 3.8Å; L1095-A1710 HydrophobicContact CD2-CB 3.62Å; L1095-A1710 HydrophobicContact CG-CB 4.38Å; T1097-A1710 PolarHBondContact O-N 2.91Å; I1098-A1710 HydrophobicContact CG1-CB 4.25Å; L1099-A1710 PolarHBondContact N-O 3.48Å; A1710-V1727 WeakPolarHBondContact CA-O 3.4Å; A1710-V1727 HydrophobicContact CB-CB 4.29Å; A1710-V1727 WeakPolarHBondContact CB-O 3.27Å |
| 1711 | M | 91.5 | Very high | 69.4 | Low | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 139.5 | 167.8 | -179.9 | 61.3 | -169.3 | 0 | 0 | 108.9 | L1099 D1101 L1472 I1505 D1718 A1721 L1722 A1725 V1727 I1729 | L1099-M1711 HydrophobicContact CB-SD 3.75Å; L1099-M1711 CarbonylContact O-C 3.59Å; D1101-M1711 HydrophobicContact CB-CE 4.21Å; L1472-M1711 HydrophobicContact CD2-SD 4.14Å; I1505-M1711 HydrophobicContact CD1-CB 3.86Å; I1505-M1711 HydrophobicContact CD1-CG 4.1Å; I1505-M1711 HydrophobicContact CD1-SD 4.35Å; M1711-D1718 HydrophobicContact CE-CB 4.41Å; M1711-D1718 VanDerWaalsContact CE-OD1 3.28Å; M1711-D1718 WeakPolarHBondContact CE-OD1 3.34Å; M1711-A1721 HydrophobicContact CE-CB 4.47Å; M1711-A1721 HydrophobicContact CG-CB 3.96Å; M1711-A1721 HydrophobicContact SD-CB 4.48Å; M1711-L1722 HydrophobicContact CB-CD2 4.3Å; M1711-L1722 HydrophobicContact CG-CD2 4.16Å; M1711-L1722 HydrophobicContact CG-CG 4.43Å; M1711-L1722 WeakPolarHBondContact O-CD2 3.47Å; M1711-A1725 HydrophobicContact CB-CB 4.03Å; M1711-V1727 PolarHBondContact N-O 2.93Å; M1711-I1729 PolarHBondContact O-N 2.91Å |
| 1712 | I | 92.8 | Very high | 71.5 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.6 | 178.3 | -52.2 | -176.9 | 0 | 0 | 0 | 107.8 | I1098 L1099 F1100 D1101 T1105 I1729 I1731 V1754 | I1098-I1712 HydrophobicContact CG2-CD1 3.42Å; I1098-I1712 VanDerWaalsContact CG2-CD1 3.42Å; I1098-I1712 HydrophobicContact CG2-CG1 3.98Å; L1099-I1712 PolarHBondContact O-N 3.48Å; F1100-I1712 HydrophobicContact CD1-CB 3.9Å; F1100-I1712 HydrophobicContact CD1-CD1 3.87Å; F1100-I1712 HydrophobicContact CD1-CG1 4.39Å; F1100-I1712 HydrophobicContact CD1-CG2 3.97Å; F1100-I1712 HydrophobicContact CE1-CB 4.31Å; F1100-I1712 HydrophobicContact CE1-CD1 3.44Å; F1100-I1712 VanDerWaalsContact CE1-CD1 3.44Å; F1100-I1712 HydrophobicContact CE1-CG1 4.41Å; F1100-I1712 HydrophobicContact CE1-CG2 4.19Å; F1100-I1712 HydrophobicContact CE2-CD1 4.36Å; F1100-I1712 HydrophobicContact CG-CB 4.47Å; F1100-I1712 HydrophobicContact CG-CD1 4.49Å; F1100-I1712 HydrophobicContact CZ-CD1 3.73Å; D1101-I1712 PolarHBondContact N-O 3.26Å; T1105-I1712 HydrophobicContact CG2-CG2 3.95Å; I1712-I1729 WeakPolarHBondContact CA-O 3.39Å; I1712-I1729 HydrophobicContact CD1-CD1 4.31Å; I1712-I1729 HydrophobicContact CG1-CB 4.14Å; I1712-I1729 HydrophobicContact CG1-CD1 4.21Å; I1712-I1729 HydrophobicContact CG1-CG1 4.42Å; I1712-I1731 HydrophobicContact CG2-CD1 3.42Å; I1712-I1731 VanDerWaalsContact CG2-CD1 3.42Å; I1712-I1731 HydrophobicContact CG2-CG1 3.94Å; I1712-V1754 HydrophobicContact CD1-CB 4.46Å; I1712-V1754 HydrophobicContact CD1-CG1 3.51Å; I1712-V1754 HydrophobicContact CD1-CG2 4.06Å |
| 1713 | G | 85.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 166.9 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1105 I1729 A1730 I1731 | T1105-G1713 VanDerWaalsContact OG1-CA 3.28Å; T1105-G1713 WeakPolarHBondContact OG1-CA 3.44Å; G1713-I1729 PolarHBondContact N-O 3.25Å; G1713-A1730 WeakPolarHBondContact O-CA 3.44Å; G1713-I1731 PolarHBondContact O-N 3.11Å |
| 1714 | D | 80.1 | Confident | 75.3 | Confident | 33 Ų | 33 | 44.5 Ų | 44.5 | 18% | 0.176 | 24% | 0.241 | C | C | . | . | trans | -131.8 | -12.4 | -179.5 | 56.5 | -62.7 | 0 | 0 | 0 | 113.6 | G1104 T1105 G1734 A1735 | G1104-D1714 WeakPolarHBondContact CA-OD2 3.34Å; T1105-D1714 WeakPolarHBondContact CB-OD1 3.47Å; T1105-D1714 PolarHBondContact N-OD1 2.91Å; T1105-D1714 PolarHBondContact OG1-OD1 2.98Å; D1714-G1734 CarbonylContact O-C 3.45Å; D1714-G1734 WeakPolarHBondContact O-CA 3.29Å; D1714-A1735 PolarHBondContact O-N 2.98Å | ||
| 1715 | G | 66.4 | Low | 77.3 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -98.5 | 157.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | N1717 D1718 | G1715-N1717 PolarHBondContact O-N 2.8Å; G1715-N1717 VanDerWaalsContact O-N 3.1Å; G1715-D1718 WeakPolarHBondContact O-CB 3.4Å; G1715-D1718 PolarHBondContact O-N 3.12Å |
| 1716 | V | 62.7 | Low | 78.8 | Confident | 82 Ų | 82 | 33.7 Ų | 33.7 | 50% | 0.497 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -55.1 | -28.1 | 170.7 | -173 | 0 | 0 | 0 | 0 | 112.2 | D1718 S1719 A1735 V1737 | V1716-D1718 PolarHBondContact O-N 2.86Å; V1716-S1719 PolarHBondContact O-N 3.19Å; V1716-S1719 PolarHBondContact O-OG 3.07Å; V1716-A1735 HydrophobicContact CG2-CB 3.42Å; V1716-A1735 VanDerWaalsContact CG2-CB 3.42Å; V1716-V1737 HydrophobicContact CG1-CB 4.35Å; V1716-V1737 HydrophobicContact CG1-CG2 4.46Å |
| 1717 | N | 64.9 | Low | 79.5 | Confident | 107 Ų | 107 | 26.6 Ų | 26.6 | 57% | 0.572 | 16% | 0.158 | S | C | * | . | G | 310 helix | trans | -64.3 | -16.3 | 174.9 | -67.6 | -40.1 | 0 | 0 | 0 | 113.9 | P1498 G1715 | P1498-N1717 WeakPolarHBondContact CB-O 3.31Å; P1498-N1717 HydrophobicContact CG-CB 4.18Å; G1715-N1717 PolarHBondContact O-N 2.8Å; G1715-N1717 VanDerWaalsContact O-N 3.1Å |
| 1718 | D | 73.3 | Confident | 79.8 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.027 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -102.4 | -15.9 | -178.7 | -63.6 | -59.3 | 0 | 0 | 0 | 113.4 | K1501 M1711 G1715 V1716 P1720 A1721 L1722 | K1501-D1718 IonicContact NZ-OD1 3.69Å; K1501-D1718 PolarHBondContact NZ-OD1 2.75Å; K1501-D1718 IonicContact NZ-OD2 2.63Å; M1711-D1718 HydrophobicContact CE-CB 4.41Å; M1711-D1718 VanDerWaalsContact CE-OD1 3.28Å; M1711-D1718 WeakPolarHBondContact CE-OD1 3.34Å; G1715-D1718 WeakPolarHBondContact O-CB 3.4Å; G1715-D1718 PolarHBondContact O-N 3.12Å; V1716-D1718 PolarHBondContact O-N 2.86Å; D1718-P1720 VanDerWaalsContact C-CD 3.43Å; D1718-P1720 VanDerWaalsContact C-N 3.33Å; D1718-A1721 CarbonylContact O-C 3.57Å; D1718-A1721 WeakPolarHBondContact O-CA 3.42Å; D1718-A1721 WeakPolarHBondContact O-CB 3.48Å; D1718-A1721 PolarHBondContact O-N 2.84Å; D1718-L1722 HydrophobicContact CB-CD1 4.21Å; D1718-L1722 HydrophobicContact CB-CG 4.39Å; D1718-L1722 WeakPolarHBondContact O-CG 3.03Å; D1718-L1722 PolarHBondContact O-N 3.09Å |
| 1719 | S | 66.2 | Low | 79.9 | Confident | 8 Ų | 8 | 22 Ų | 22 | 6% | 0.056 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -50.3 | -42.5 | 178.6 | -48.6 | 0 | 0 | 0 | 0 | 114 | V1716 A1721 A1723 V1737 A1738 T1741 | V1716-S1719 PolarHBondContact O-N 3.19Å; V1716-S1719 PolarHBondContact O-OG 3.07Å; S1719-A1721 VanDerWaalsContact C-N 3.29Å; S1719-A1721 PolarHBondContact O-N 2.96Å; S1719-A1723 WeakPolarHBondContact O-CB 3.27Å; S1719-A1723 PolarHBondContact O-N 2.73Å; S1719-A1723 VanDerWaalsContact O-N 3.09Å; S1719-V1737 VanDerWaalsContact OG-C 3.29Å; S1719-V1737 PolarHBondContact OG-O 2.9Å; S1719-A1738 WeakPolarHBondContact OG-CA 3.4Å; S1719-A1738 PolarHBondContact OG-N 2.87Å; S1719-T1741 WeakPolarHBondContact CA-OG1 3.48Å; S1719-T1741 VanDerWaalsContact CB-OG1 3.32Å; S1719-T1741 WeakPolarHBondContact CB-OG1 3.21Å |
| 1720 | P | 67.9 | Low | 79.6 | Confident | 59 Ų | 59 | 22 Ų | 22 | 38% | 0.383 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -68.5 | -26 | 175 | -18.7 | 33.5 | 0 | 0 | 0 | 113.8 | P1498 A1502 D1718 Q1724 | P1498-P1720 HydrophobicContact CB-CG 4.44Å; A1502-P1720 WeakPolarHBondContact CB-O 3.25Å; D1718-P1720 VanDerWaalsContact C-CD 3.43Å; D1718-P1720 VanDerWaalsContact C-N 3.33Å; P1720-Q1724 WeakPolarHBondContact O-CB 3.28Å |
| 1721 | A | 76.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -82.7 | -42.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1501 I1505 M1711 D1718 S1719 Q1724 A1725 | K1501-A1721 HydrophobicContact CB-CB 3.81Å; I1505-A1721 HydrophobicContact CD1-CB 3.7Å; I1505-A1721 WeakPolarHBondContact CD1-O 3.2Å; M1711-A1721 HydrophobicContact CE-CB 4.47Å; M1711-A1721 HydrophobicContact CG-CB 3.96Å; M1711-A1721 HydrophobicContact SD-CB 4.48Å; D1718-A1721 CarbonylContact O-C 3.57Å; D1718-A1721 WeakPolarHBondContact O-CA 3.42Å; D1718-A1721 WeakPolarHBondContact O-CB 3.48Å; D1718-A1721 PolarHBondContact O-N 2.84Å; S1719-A1721 VanDerWaalsContact C-N 3.29Å; S1719-A1721 PolarHBondContact O-N 2.96Å; A1721-Q1724 PolarHBondContact O-N 3.18Å; A1721-A1725 PolarHBondContact O-N 2.86Å; A1721-A1725 VanDerWaalsContact O-N 3.17Å |
| 1722 | L | 79.7 | Confident | 77.9 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.1 | -52 | 171.9 | -69.6 | 165.8 | 0 | 0 | 0 | 110.6 | M1711 D1718 Q1724 A1725 I1729 A1738 A1742 | M1711-L1722 HydrophobicContact CB-CD2 4.3Å; M1711-L1722 HydrophobicContact CG-CD2 4.16Å; M1711-L1722 HydrophobicContact CG-CG 4.43Å; M1711-L1722 WeakPolarHBondContact O-CD2 3.47Å; D1718-L1722 HydrophobicContact CB-CD1 4.21Å; D1718-L1722 HydrophobicContact CB-CG 4.39Å; D1718-L1722 WeakPolarHBondContact O-CG 3.03Å; D1718-L1722 PolarHBondContact O-N 3.09Å; L1722-Q1724 PolarHBondContact O-N 3.49Å; L1722-A1725 WeakPolarHBondContact O-CB 3.08Å; L1722-A1725 PolarHBondContact O-N 3.27Å; L1722-I1729 VanDerWaalsContact CD2-N 3.33Å; L1722-I1729 WeakPolarHBondContact CD2-O 3.35Å; L1722-A1738 HydrophobicContact CD1-CB 3.86Å; L1722-A1742 HydrophobicContact CD1-CB 4.42Å; L1722-A1742 HydrophobicContact CD2-CB 4.39Å |
| 1723 | A | 70.8 | Confident | 76.1 | Confident | 69 Ų | 69 | 27 Ų | 27 | 57% | 0.57 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1719 | S1719-A1723 WeakPolarHBondContact O-CB 3.27Å; S1719-A1723 PolarHBondContact O-N 2.73Å; S1719-A1723 VanDerWaalsContact O-N 3.09Å |
| 1724 | Q | 76.9 | Confident | 74.7 | Confident | 52 Ų | 52 | 27.5 Ų | 27.5 | 24% | 0.243 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -10.5 | 176.8 | -175.5 | 55.8 | 104.4 | 0 | 0 | 112.9 | A1502 I1505 K1506 Q1509 P1720 A1721 L1722 | A1502-Q1724 HydrophobicContact CB-CB 4.04Å; A1502-Q1724 HydrophobicContact CB-CG 4.17Å; A1502-Q1724 WeakPolarHBondContact O-CG 3.4Å; I1505-Q1724 HydrophobicContact CG2-CG 4.28Å; I1505-Q1724 WeakPolarHBondContact CG2-O 3.43Å; K1506-Q1724 HydrophobicContact CB-CG 4.41Å; K1506-Q1724 VanDerWaalsContact CE-OE1 3.23Å; Q1509-Q1724 PolarHBondContact NE2-O 2.78Å; P1720-Q1724 WeakPolarHBondContact O-CB 3.28Å; A1721-Q1724 PolarHBondContact O-N 3.18Å; L1722-Q1724 PolarHBondContact O-N 3.49Å |
| 1725 | A | 84.6 | Confident | 73.5 | Confident | 16 Ų | 16 | 27.6 Ų | 27.6 | 13% | 0.132 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -69.5 | 169.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1711 A1721 L1722 V1727 | M1711-A1725 HydrophobicContact CB-CB 4.03Å; A1721-A1725 PolarHBondContact O-N 2.86Å; A1721-A1725 VanDerWaalsContact O-N 3.17Å; L1722-A1725 WeakPolarHBondContact O-CB 3.08Å; L1722-A1725 PolarHBondContact O-N 3.27Å; A1725-V1727 VanDerWaalsContact C-N 3.33Å; A1725-V1727 WeakPolarHBondContact CB-O 3.13Å |
| 1726 | D | 85.9 | Confident | 73 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -82.3 | -18.1 | 165.4 | -57.3 | -96.3 | 0 | 0 | 0 | 112 | N1091 Q1509 R1706 Y1708 V1709 | N1091-D1726 WeakPolarHBondContact CB-O 3.35Å; N1091-D1726 PolarHBondContact ND2-O 3.48Å; Q1509-D1726 WeakPolarHBondContact CG-OD2 3.44Å; Q1509-D1726 PolarHBondContact NE2-OD2 3.05Å; R1706-D1726 IonicContact CZ-OD1 3.33Å; R1706-D1726 IonicContact NE-OD1 3.17Å; R1706-D1726 PolarHBondContact NE-OD1 3.4Å; R1706-D1726 IonicContact NH2-OD1 2.72Å; R1706-D1726 PolarHBondContact NH2-OD1 3.02Å; Y1708-D1726 HydrophobicContact CD1-CB 3.88Å; V1709-D1726 PolarHBondContact N-OD2 3.32Å; V1709-D1726 PolarHBondContact O-N 2.84Å |
| 1727 | V | 89.9 | Confident | 72.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 112.5 | 166.9 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | N1091 M1092 L1095 A1710 M1711 A1725 I1729 D1743 V1744 | N1091-V1727 HydrophobicContact CB-CG2 3.57Å; M1092-V1727 HydrophobicContact CB-CG2 4.21Å; L1095-V1727 HydrophobicContact CD1-CG2 4.39Å; L1095-V1727 HydrophobicContact CD2-CG2 4.26Å; L1095-V1727 HydrophobicContact CG-CG2 4.45Å; A1710-V1727 WeakPolarHBondContact CA-O 3.4Å; A1710-V1727 HydrophobicContact CB-CB 4.29Å; A1710-V1727 WeakPolarHBondContact CB-O 3.27Å; M1711-V1727 PolarHBondContact N-O 2.93Å; A1725-V1727 VanDerWaalsContact C-N 3.33Å; A1725-V1727 WeakPolarHBondContact CB-O 3.13Å; V1727-I1729 HydrophobicContact CG1-CG1 4.04Å; V1727-D1743 WeakPolarHBondContact CA-OD2 3.37Å; V1727-D1743 HydrophobicContact CG1-CB 4.25Å; V1727-V1744 HydrophobicContact CG1-CG2 3.71Å |
| 1728 | G | 88.4 | Confident | 72.3 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 136.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1743 V1744 | G1728-D1743 PolarHBondContact N-OD2 3.3Å; G1728-D1743 PolarHBondContact O-N 2.97Å; G1728-V1744 PolarHBondContact O-N 3.49Å |
| 1729 | I | 90 | Very high | 71.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 116 | 176.8 | -47.8 | -175.5 | 0 | 0 | 0 | 110.1 | M1711 I1712 G1713 L1722 V1727 V1744 L1746 V1754 | M1711-I1729 PolarHBondContact O-N 2.91Å; I1712-I1729 WeakPolarHBondContact CA-O 3.39Å; I1712-I1729 HydrophobicContact CD1-CD1 4.31Å; I1712-I1729 HydrophobicContact CG1-CB 4.14Å; I1712-I1729 HydrophobicContact CG1-CD1 4.21Å; I1712-I1729 HydrophobicContact CG1-CG1 4.42Å; G1713-I1729 PolarHBondContact N-O 3.25Å; L1722-I1729 VanDerWaalsContact CD2-N 3.33Å; L1722-I1729 WeakPolarHBondContact CD2-O 3.35Å; V1727-I1729 HydrophobicContact CG1-CG1 4.04Å; I1729-V1744 CarbonylContact C-O 3.58Å; I1729-V1744 WeakPolarHBondContact CA-O 3.48Å; I1729-V1744 HydrophobicContact CB-CB 4.35Å; I1729-V1744 HydrophobicContact CG1-CB 4.09Å; I1729-V1744 HydrophobicContact CG1-CG2 4.36Å; I1729-V1744 HydrophobicContact CG2-CB 4.13Å; I1729-V1744 HydrophobicContact CG2-CG1 4.07Å; I1729-L1746 HydrophobicContact CG2-CD1 3.71Å; I1729-L1746 HydrophobicContact CG2-CD2 4.42Å; I1729-L1746 HydrophobicContact CG2-CG 3.79Å; I1729-V1754 HydrophobicContact CD1-CG1 4.46Å |
| 1730 | A | 85.1 | Confident | 71.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 144.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1713 V1739 A1742 V1744 V1745 L1746 | G1713-A1730 WeakPolarHBondContact O-CA 3.44Å; A1730-V1739 HydrophobicContact CB-CG2 4.32Å; A1730-A1742 HydrophobicContact CB-CB 3.68Å; A1730-V1744 PolarHBondContact N-O 2.69Å; A1730-V1745 HydrophobicContact CB-CG1 4.48Å; A1730-V1745 HydrophobicContact CB-CG2 4.37Å; A1730-L1746 PolarHBondContact O-N 3.21Å |
| 1731 | I | 81.9 | Confident | 71.5 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.7 | 177.1 | -71.7 | -174.7 | 0 | 0 | 0 | 111.4 | T1105 I1712 G1713 G1734 L1746 N1749 L1751 V1754 | T1105-I1731 HydrophobicContact CG2-CD1 4.45Å; I1712-I1731 HydrophobicContact CG2-CD1 3.42Å; I1712-I1731 VanDerWaalsContact CG2-CD1 3.42Å; I1712-I1731 HydrophobicContact CG2-CG1 3.94Å; G1713-I1731 PolarHBondContact O-N 3.11Å; I1731-G1734 PolarHBondContact O-N 3.48Å; I1731-L1746 HydrophobicContact CG1-CD1 4.16Å; I1731-N1749 HydrophobicContact CG2-CB 4.49Å; I1731-N1749 WeakPolarHBondContact CG2-OD1 3.34Å; I1731-L1751 HydrophobicContact CD1-CD2 3.91Å; I1731-V1754 HydrophobicContact CD1-CG2 4.15Å |
| 1732 | G | 66.9 | Low | 71.3 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 7% | 0.072 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 65.7 | -163.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1734 L1746 | G1732-G1734 PolarHBondContact O-N 3.37Å; G1732-L1746 WeakPolarHBondContact CA-O 3.44Å; G1732-L1746 PolarHBondContact N-O 2.85Å |
| 1733 | C | 54.5 | Low | 71.3 | Confident | 97 Ų | 97 | 31.9 Ų | 31.9 | 66% | 0.655 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -72.3 | 60.3 | 155.5 | -58.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1734 | G | 55.5 | Low | 71.9 | Confident | 10 Ų | 10 | 28.6 Ų | 28.6 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | trans | -63.4 | 166.1 | 161 | 0 | 0 | 0 | 0 | 0 | 109.8 | D1714 I1731 G1732 D1736 V1739 | D1714-G1734 CarbonylContact O-C 3.45Å; D1714-G1734 WeakPolarHBondContact O-CA 3.29Å; I1731-G1734 PolarHBondContact O-N 3.48Å; G1732-G1734 PolarHBondContact O-N 3.37Å; G1734-D1736 PolarHBondContact O-N 3.41Å; G1734-V1739 WeakPolarHBondContact O-CG2 3.46Å | ||
| 1735 | A | 55.7 | Low | 72.1 | Confident | 35 Ų | 35 | 26.4 Ų | 26.4 | 29% | 0.289 | 16% | 0.16 | S | C | . | . | trans | -58.1 | 139.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1714 V1716 V1737 A1738 V1739 | D1714-A1735 PolarHBondContact O-N 2.98Å; V1716-A1735 HydrophobicContact CG2-CB 3.42Å; V1716-A1735 VanDerWaalsContact CG2-CB 3.42Å; A1735-V1737 PolarHBondContact O-N 3.45Å; A1735-A1738 WeakPolarHBondContact O-CA 3.47Å; A1735-A1738 WeakPolarHBondContact O-CB 3.43Å; A1735-A1738 PolarHBondContact O-N 3.48Å; A1735-V1739 PolarHBondContact O-N 2.74Å; A1735-V1739 VanDerWaalsContact O-N 3.13Å | ||
| 1736 | D | 56.3 | Low | 72.2 | Confident | 77 Ų | 77 | 25.7 Ų | 25.7 | 41% | 0.412 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -50.7 | -36.8 | -170.8 | -57.6 | 28 | 0 | 0 | 0 | 112.7 | Q976 G1734 A1738 V1739 E1740 | Q976-D1736 PolarHBondContact NE2-OD2 3.4Å; G1734-D1736 PolarHBondContact O-N 3.41Å; D1736-A1738 VanDerWaalsContact C-N 3.34Å; D1736-A1738 PolarHBondContact O-N 2.85Å; D1736-V1739 CarbonylContact O-C 3.41Å; D1736-V1739 PolarHBondContact O-N 3.04Å; D1736-V1739 VanDerWaalsContact O-N 3.14Å; D1736-E1740 WeakPolarHBondContact O-CB 3.44Å; D1736-E1740 PolarHBondContact O-N 2.98Å |
| 1737 | V | 53.9 | Low | 71.8 | Confident | 72 Ų | 72 | 26.1 Ų | 26.1 | 44% | 0.436 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 176.3 | -166.6 | 0 | 0 | 0 | 0 | 112.6 | V1716 S1719 A1735 T1741 | V1716-V1737 HydrophobicContact CG1-CB 4.35Å; V1716-V1737 HydrophobicContact CG1-CG2 4.46Å; S1719-V1737 VanDerWaalsContact OG-C 3.29Å; S1719-V1737 PolarHBondContact OG-O 2.9Å; A1735-V1737 PolarHBondContact O-N 3.45Å; V1737-T1741 WeakPolarHBondContact O-CB 3.4Å; V1737-T1741 WeakPolarHBondContact O-CG2 3.45Å; V1737-T1741 PolarHBondContact O-N 3.38Å; V1737-T1741 VanDerWaalsContact O-N 3.17Å; V1737-T1741 PolarHBondContact O-OG1 3.39Å |
| 1738 | A | 58 | Low | 71.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -75.3 | -36.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1719 L1722 A1735 D1736 T1741 A1742 | S1719-A1738 WeakPolarHBondContact OG-CA 3.4Å; S1719-A1738 PolarHBondContact OG-N 2.87Å; L1722-A1738 HydrophobicContact CD1-CB 3.86Å; A1735-A1738 WeakPolarHBondContact O-CA 3.47Å; A1735-A1738 WeakPolarHBondContact O-CB 3.43Å; A1735-A1738 PolarHBondContact O-N 3.48Å; D1736-A1738 VanDerWaalsContact C-N 3.34Å; D1736-A1738 PolarHBondContact O-N 2.85Å; A1738-T1741 WeakPolarHBondContact CA-OG1 3.24Å; A1738-T1741 PolarHBondContact O-N 2.81Å; A1738-T1741 PolarHBondContact O-OG1 3.42Å; A1738-A1742 VanDerWaalsContact O-CB 3.32Å; A1738-A1742 WeakPolarHBondContact O-CB 3.37Å; A1738-A1742 PolarHBondContact O-N 2.91Å |
| 1739 | V | 64.7 | Low | 70.8 | Confident | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -39.2 | 175.6 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | L980 K1084 A1730 G1734 A1735 D1736 V1745 | L980-V1739 HydrophobicContact CD1-CG1 3.7Å; K1084-V1739 WeakPolarHBondContact CE-O 3.3Å; K1084-V1739 PolarHBondContact NZ-O 3.37Å; A1730-V1739 HydrophobicContact CB-CG2 4.32Å; G1734-V1739 WeakPolarHBondContact O-CG2 3.46Å; A1735-V1739 PolarHBondContact O-N 2.74Å; A1735-V1739 VanDerWaalsContact O-N 3.13Å; D1736-V1739 CarbonylContact O-C 3.41Å; D1736-V1739 PolarHBondContact O-N 3.04Å; D1736-V1739 VanDerWaalsContact O-N 3.14Å; V1739-V1745 HydrophobicContact CG1-CG1 4.12Å; V1739-V1745 HydrophobicContact CG1-CG2 4.19Å; V1739-V1745 HydrophobicContact CG2-CG1 4.49Å |
| 1740 | E | 62.1 | Low | 70.5 | Confident | 112 Ų | 112 | 33 Ų | 33 | 52% | 0.523 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -72.3 | -36.1 | 175.2 | -165.5 | 179.3 | -145.3 | 0 | 0 | 112 | R979 K1084 D1736 | R979-E1740 IonicContact NH2-OE1 3.9Å; R979-E1740 PolarHBondContact NH2-OE1 3.38Å; K1084-E1740 PolarHBondContact NZ-O 2.8Å; D1736-E1740 WeakPolarHBondContact O-CB 3.44Å; D1736-E1740 PolarHBondContact O-N 2.98Å |
| 1741 | T | 65.4 | Low | 70.7 | Confident | 46 Ų | 46 | 33.1 Ų | 33.1 | 28% | 0.282 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -84.8 | -18.1 | -179.2 | 51.2 | 0 | 0 | 0 | 0 | 115.9 | S1719 V1737 A1738 | S1719-T1741 WeakPolarHBondContact CA-OG1 3.48Å; S1719-T1741 VanDerWaalsContact CB-OG1 3.32Å; S1719-T1741 WeakPolarHBondContact CB-OG1 3.21Å; V1737-T1741 WeakPolarHBondContact O-CB 3.4Å; V1737-T1741 WeakPolarHBondContact O-CG2 3.45Å; V1737-T1741 PolarHBondContact O-N 3.38Å; V1737-T1741 VanDerWaalsContact O-N 3.17Å; V1737-T1741 PolarHBondContact O-OG1 3.39Å; A1738-T1741 WeakPolarHBondContact CA-OG1 3.24Å; A1738-T1741 PolarHBondContact O-N 2.81Å; A1738-T1741 PolarHBondContact O-OG1 3.42Å |
| 1742 | A | 72 | Confident | 71.1 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | trans | -75.9 | 150.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1084 L1722 A1730 A1738 V1744 | K1084-A1742 WeakPolarHBondContact CD-O 3.49Å; K1084-A1742 WeakPolarHBondContact CE-O 3.37Å; K1084-A1742 PolarHBondContact NZ-O 3.42Å; L1722-A1742 HydrophobicContact CD1-CB 4.42Å; L1722-A1742 HydrophobicContact CD2-CB 4.39Å; A1730-A1742 HydrophobicContact CB-CB 3.68Å; A1738-A1742 VanDerWaalsContact O-CB 3.32Å; A1738-A1742 WeakPolarHBondContact O-CB 3.37Å; A1738-A1742 PolarHBondContact O-N 2.91Å; A1742-V1744 WeakPolarHBondContact CB-O 3.4Å | ||
| 1743 | D | 78.5 | Confident | 72.2 | Confident | 50 Ų | 50 | 33.9 Ų | 33.9 | 27% | 0.267 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -81.1 | -22.8 | 171.9 | -65.8 | -76.7 | 0 | 0 | 0 | 113.2 | K1084 P1088 V1727 G1728 | K1084-D1743 WeakPolarHBondContact CB-O 3.37Å; K1084-D1743 PolarHBondContact N-O 2.84Å; P1088-D1743 HydrophobicContact CB-CB 3.78Å; P1088-D1743 HydrophobicContact CG-CB 3.7Å; P1088-D1743 WeakPolarHBondContact CG-OD1 3.33Å; V1727-D1743 WeakPolarHBondContact CA-OD2 3.37Å; V1727-D1743 HydrophobicContact CG1-CB 4.25Å; G1728-D1743 PolarHBondContact N-OD2 3.3Å; G1728-D1743 PolarHBondContact O-N 2.97Å |
| 1744 | V | 83.5 | Confident | 74 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.9 | -176.9 | -178 | 0 | 0 | 0 | 0 | 107.4 | I1081 L1082 I1083 M1092 V1727 G1728 I1729 A1730 A1742 L1746 | I1081-V1744 HydrophobicContact CG2-CG1 4.43Å; L1082-V1744 WeakPolarHBondContact O-CA 3.15Å; L1082-V1744 WeakPolarHBondContact O-CG1 3.37Å; I1083-V1744 HydrophobicContact CG1-CG1 4.4Å; I1083-V1744 HydrophobicContact CG2-CG2 4.41Å; M1092-V1744 HydrophobicContact CE-CG2 3.5Å; M1092-V1744 VanDerWaalsContact CE-CG2 3.5Å; V1727-V1744 HydrophobicContact CG1-CG2 3.71Å; G1728-V1744 PolarHBondContact O-N 3.49Å; I1729-V1744 CarbonylContact C-O 3.58Å; I1729-V1744 WeakPolarHBondContact CA-O 3.48Å; I1729-V1744 HydrophobicContact CB-CB 4.35Å; I1729-V1744 HydrophobicContact CG1-CB 4.09Å; I1729-V1744 HydrophobicContact CG1-CG2 4.36Å; I1729-V1744 HydrophobicContact CG2-CB 4.13Å; I1729-V1744 HydrophobicContact CG2-CG1 4.07Å; A1730-V1744 PolarHBondContact N-O 2.69Å; A1742-V1744 WeakPolarHBondContact CB-O 3.4Å; V1744-L1746 HydrophobicContact CG1-CD2 3.74Å; V1744-L1746 HydrophobicContact CG1-CG 4.46Å |
| 1745 | V | 81.9 | Confident | 75.7 | Confident | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 117.4 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | L980 L1082 A1730 V1739 | L980-V1745 HydrophobicContact CD1-CG2 4.14Å; L1082-V1745 HydrophobicContact CB-CB 4.15Å; L1082-V1745 PolarHBondContact N-O 3.31Å; L1082-V1745 PolarHBondContact O-N 2.81Å; A1730-V1745 HydrophobicContact CB-CG1 4.48Å; A1730-V1745 HydrophobicContact CB-CG2 4.37Å; V1739-V1745 HydrophobicContact CG1-CG1 4.12Å; V1739-V1745 HydrophobicContact CG1-CG2 4.19Å; V1739-V1745 HydrophobicContact CG2-CG1 4.49Å |
| 1746 | L | 86.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 108 | 178.2 | -51.4 | -175.8 | 0 | 0 | 0 | 107.5 | I1081 I1729 A1730 I1731 G1732 V1744 R1748 D1753 V1754 | I1081-L1746 HydrophobicContact CB-CD2 4.26Å; I1081-L1746 HydrophobicContact CG1-CD2 4.17Å; I1081-L1746 HydrophobicContact CG2-CD2 3.78Å; I1729-L1746 HydrophobicContact CG2-CD1 3.71Å; I1729-L1746 HydrophobicContact CG2-CD2 4.42Å; I1729-L1746 HydrophobicContact CG2-CG 3.79Å; A1730-L1746 PolarHBondContact O-N 3.21Å; I1731-L1746 HydrophobicContact CG1-CD1 4.16Å; G1732-L1746 WeakPolarHBondContact CA-O 3.44Å; G1732-L1746 PolarHBondContact N-O 2.85Å; V1744-L1746 HydrophobicContact CG1-CD2 3.74Å; V1744-L1746 HydrophobicContact CG1-CG 4.46Å; L1746-R1748 PolarHBondContact O-N 3.45Å; L1746-D1753 HydrophobicContact CB-CB 4.3Å; L1746-D1753 HydrophobicContact CD1-CB 3.94Å; L1746-D1753 HydrophobicContact CD2-CB 4.14Å; L1746-D1753 HydrophobicContact CG-CB 4.36Å; L1746-V1754 HydrophobicContact CD1-CB 4.31Å; L1746-V1754 HydrophobicContact CD1-CG2 3.54Å |
| 1747 | I | 76.9 | Confident | 79.1 | Confident | 18 Ų | 18 | 23.4 Ų | 23.4 | 9% | 0.092 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -63.6 | -29.3 | -172.4 | -44 | 175.1 | 0 | 0 | 0 | 111 | I935 I977 G1080 L1082 | I935-I1747 HydrophobicContact CG2-CG2 4.2Å; I935-I1747 WeakPolarHBondContact O-CD1 3.27Å; I935-I1747 WeakPolarHBondContact O-CG2 2.89Å; I977-I1747 HydrophobicContact CD1-CG2 4.5Å; G1080-I1747 PolarHBondContact O-N 3.18Å; L1082-I1747 HydrophobicContact CD1-CD1 3.65Å; L1082-I1747 HydrophobicContact CD1-CG1 3.89Å |
| 1748 | R | 77.6 | Confident | 80.9 | Confident | 38 Ų | 38 | 20 Ų | 20 | 14% | 0.143 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -84 | 145.6 | 175.3 | -60.5 | 178.9 | -153.6 | -110.1 | -3.8 | 111.7 | T936 G937 E938 A1079 L1746 S1750 D1753 | T936-R1748 WeakPolarHBondContact O-CG 3.19Å; T936-R1748 VanDerWaalsContact O-CZ 3.29Å; T936-R1748 PolarHBondContact O-NE 2.98Å; G937-R1748 VanDerWaalsContact C-CZ 3.49Å; G937-R1748 VanDerWaalsContact O-CZ 3.31Å; G937-R1748 PolarHBondContact O-NH1 3Å; G937-R1748 PolarHBondContact O-NH2 3.31Å; G937-R1748 VanDerWaalsContact O-NH2 3.16Å; E938-R1748 IonicContact OE1-CZ 2.81Å; E938-R1748 IonicContact OE1-NH1 3.72Å; E938-R1748 PolarHBondContact OE1-NH1 3.15Å; A1079-R1748 PolarHBondContact O-NE 3.36Å; A1079-R1748 PolarHBondContact O-NH2 3.45Å; A1079-R1748 VanDerWaalsContact O-NH2 3.16Å; L1746-R1748 PolarHBondContact O-N 3.45Å; R1748-S1750 PolarHBondContact O-N 2.94Å; R1748-D1753 WeakPolarHBondContact CD-OD2 3.16Å |
| 1749 | N | 79.3 | Confident | 82.5 | Confident | 87 Ų | 87 | 21.2 Ų | 21.2 | 47% | 0.465 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -81.2 | 42.3 | 168.2 | -160.2 | -2.4 | 0 | 0 | 0 | 113.2 | K1452 I1731 | K1452-N1749 WeakPolarHBondContact CE-OD1 3.39Å; K1452-N1749 PolarHBondContact NZ-OD1 2.91Å; I1731-N1749 HydrophobicContact CG2-CB 4.49Å; I1731-N1749 WeakPolarHBondContact CG2-OD1 3.34Å |
| 1750 | S | 85.1 | Confident | 83.8 | Confident | 19 Ų | 19 | 20.6 Ų | 20.6 | 13% | 0.133 | 11% | 0.107 | C | C | . | . | trans | -119.3 | 135.7 | -179.5 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | E1454 R1748 I1752 D1753 | E1454-S1750 WeakPolarHBondContact OE1-CA 3.24Å; E1454-S1750 WeakPolarHBondContact OE1-CB 3.39Å; E1454-S1750 PolarHBondContact OE1-OG 3.43Å; R1748-S1750 PolarHBondContact O-N 2.94Å; S1750-I1752 PolarHBondContact O-N 2.9Å; S1750-I1752 PolarHBondContact OG-N 2.77Å; S1750-D1753 PolarHBondContact O-N 3.3Å | ||
| 1751 | L | 89.1 | Confident | 85.2 | Confident | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -12.8 | -179.7 | -67.6 | 166.6 | 0 | 0 | 0 | 112.8 | F1100 K1452 E1454 A1455 I1458 I1731 D1753 V1754 | F1100-L1751 HydrophobicContact CD1-CD2 4.3Å; F1100-L1751 HydrophobicContact CE1-CD2 3.77Å; K1452-L1751 HydrophobicContact CB-CD1 4.27Å; K1452-L1751 HydrophobicContact CD-CD1 4.07Å; K1452-L1751 HydrophobicContact CD-CG 4.25Å; E1454-L1751 HydrophobicContact CG-CB 3.91Å; E1454-L1751 PolarHBondContact OE1-N 3.3Å; E1454-L1751 VanDerWaalsContact OE1-N 3.15Å; A1455-L1751 HydrophobicContact CB-CD1 3.79Å; I1458-L1751 HydrophobicContact CB-CB 4.31Å; I1458-L1751 HydrophobicContact CG1-CB 3.95Å; I1458-L1751 HydrophobicContact CG2-CB 4.17Å; I1731-L1751 HydrophobicContact CD1-CD2 3.91Å; L1751-D1753 VanDerWaalsContact C-N 3.29Å; L1751-D1753 PolarHBondContact O-N 2.81Å; L1751-V1754 WeakPolarHBondContact O-CB 3.24Å; L1751-V1754 PolarHBondContact O-N 3.3Å |
| 1752 | I | 89.4 | Confident | 86.4 | Confident | 25 Ų | 25 | 16 Ų | 16 | 13% | 0.128 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.7 | -36.1 | 176.4 | -58.3 | 166.1 | 0 | 0 | 0 | 111 | E1454 I1458 S1750 V1754 V1755 G1756 P1830 P1832 L1835 | E1454-I1752 HydrophobicContact CB-CG1 4.47Å; E1454-I1752 HydrophobicContact CG-CG1 4.24Å; I1458-I1752 HydrophobicContact CD1-CB 4.47Å; I1458-I1752 HydrophobicContact CD1-CG1 4.18Å; S1750-I1752 PolarHBondContact O-N 2.9Å; S1750-I1752 PolarHBondContact OG-N 2.77Å; I1752-V1754 VanDerWaalsContact C-N 3.31Å; I1752-V1754 PolarHBondContact O-N 2.64Å; I1752-V1755 PolarHBondContact O-N 3.28Å; I1752-V1755 VanDerWaalsContact O-N 3.07Å; I1752-G1756 PolarHBondContact O-N 2.67Å; I1752-P1830 VanDerWaalsContact CG2-O 3.31Å; I1752-P1830 WeakPolarHBondContact CG2-O 3.43Å; I1752-P1832 HydrophobicContact CD1-CG 3.82Å; I1752-L1835 HydrophobicContact CG2-CD1 4.5Å |
| 1753 | D | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -69.1 | -26.8 | -177.2 | -71.8 | -71.3 | 0 | 0 | 0 | 113.3 | I1081 L1746 R1748 S1750 L1751 V1755 G1756 A1757 K1829 | I1081-D1753 HydrophobicContact CD1-CB 4.3Å; I1081-D1753 HydrophobicContact CG1-CB 4.14Å; L1746-D1753 HydrophobicContact CB-CB 4.3Å; L1746-D1753 HydrophobicContact CD1-CB 3.94Å; L1746-D1753 HydrophobicContact CD2-CB 4.14Å; L1746-D1753 HydrophobicContact CG-CB 4.36Å; R1748-D1753 WeakPolarHBondContact CD-OD2 3.16Å; S1750-D1753 PolarHBondContact O-N 3.3Å; L1751-D1753 VanDerWaalsContact C-N 3.29Å; L1751-D1753 PolarHBondContact O-N 2.81Å; D1753-V1755 VanDerWaalsContact C-N 3.3Å; D1753-V1755 PolarHBondContact O-N 3.23Å; D1753-G1756 PolarHBondContact O-N 2.91Å; D1753-A1757 WeakPolarHBondContact O-CB 3.44Å; D1753-A1757 PolarHBondContact O-N 3.49Å; D1753-K1829 WeakPolarHBondContact OD1-CE 3.36Å; D1753-K1829 IonicContact OD1-NZ 3.06Å; D1753-K1829 PolarHBondContact OD1-NZ 2.98Å; D1753-K1829 IonicContact OD2-NZ 3.44Å; D1753-K1829 PolarHBondContact OD2-NZ 3.47Å |
| 1754 | V | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 168.5 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | I1712 I1729 I1731 L1746 L1751 I1752 I1758 | I1712-V1754 HydrophobicContact CD1-CB 4.46Å; I1712-V1754 HydrophobicContact CD1-CG1 3.51Å; I1712-V1754 HydrophobicContact CD1-CG2 4.06Å; I1729-V1754 HydrophobicContact CD1-CG1 4.46Å; I1731-V1754 HydrophobicContact CD1-CG2 4.15Å; L1746-V1754 HydrophobicContact CD1-CB 4.31Å; L1746-V1754 HydrophobicContact CD1-CG2 3.54Å; L1751-V1754 WeakPolarHBondContact O-CB 3.24Å; L1751-V1754 PolarHBondContact O-N 3.3Å; I1752-V1754 VanDerWaalsContact C-N 3.31Å; I1752-V1754 PolarHBondContact O-N 2.64Å; V1754-I1758 HydrophobicContact CG1-CD1 4.14Å; V1754-I1758 WeakPolarHBondContact O-CD1 3.32Å; V1754-I1758 VanDerWaalsContact O-CG1 3.31Å; V1754-I1758 WeakPolarHBondContact O-CG1 3.31Å; V1754-I1758 PolarHBondContact O-N 3.09Å |
| 1755 | V | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -75.7 | -29.5 | -178.2 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | I1458 L1462 R1465 I1752 D1753 D1759 L1835 | I1458-V1755 HydrophobicContact CD1-CB 4.29Å; I1458-V1755 HydrophobicContact CD1-CG2 3.6Å; I1458-V1755 HydrophobicContact CG2-CG2 3.75Å; L1462-V1755 HydrophobicContact CD2-CG2 4.07Å; L1462-V1755 HydrophobicContact CG-CG2 4.23Å; R1465-V1755 VanDerWaalsContact NH1-CG1 3.29Å; R1465-V1755 PolarHBondContact NH1-O 3.4Å; I1752-V1755 PolarHBondContact O-N 3.28Å; I1752-V1755 VanDerWaalsContact O-N 3.07Å; D1753-V1755 VanDerWaalsContact C-N 3.3Å; D1753-V1755 PolarHBondContact O-N 3.23Å; V1755-D1759 WeakPolarHBondContact O-CB 3.41Å; V1755-D1759 PolarHBondContact O-N 3.19Å; V1755-L1835 HydrophobicContact CG1-CD1 4.37Å; V1755-L1835 HydrophobicContact CG1-CD2 3.68Å |
| 1756 | G | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.8 | -50.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1752 D1753 I1758 D1759 L1760 | I1752-G1756 PolarHBondContact O-N 2.67Å; D1753-G1756 PolarHBondContact O-N 2.91Å; G1756-I1758 VanDerWaalsContact C-N 3.35Å; G1756-I1758 PolarHBondContact O-N 3.16Å; G1756-D1759 WeakPolarHBondContact O-CB 3.3Å; G1756-D1759 PolarHBondContact O-N 3.1Å; G1756-D1759 VanDerWaalsContact O-N 3.08Å; G1756-L1760 WeakPolarHBondContact O-CB 3.27Å; G1756-L1760 PolarHBondContact O-N 3.47Å |
| 1757 | A | 91.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1081 M1092 D1753 D1759 L1760 S1761 | I1081-A1757 HydrophobicContact CD1-CB 4.4Å; I1081-A1757 HydrophobicContact CG2-CB 3.71Å; M1092-A1757 HydrophobicContact CE-CB 4.34Å; M1092-A1757 HydrophobicContact SD-CB 3.64Å; D1753-A1757 WeakPolarHBondContact O-CB 3.44Å; D1753-A1757 PolarHBondContact O-N 3.49Å; A1757-D1759 VanDerWaalsContact C-N 3.29Å; A1757-D1759 PolarHBondContact O-N 3.47Å; A1757-L1760 PolarHBondContact O-N 2.84Å; A1757-S1761 VanDerWaalsContact O-CB 3.29Å; A1757-S1761 WeakPolarHBondContact O-CB 3.46Å; A1757-S1761 PolarHBondContact O-N 3.12Å |
| 1758 | I | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -33.6 | 177.3 | -66.2 | 164.8 | 0 | 0 | 0 | 111.8 | M1092 I1098 L1462 I1467 V1754 G1756 K1762 | M1092-I1758 HydrophobicContact CG-CG1 3.96Å; M1092-I1758 HydrophobicContact SD-CG1 4.22Å; I1098-I1758 HydrophobicContact CD1-CD1 3.69Å; L1462-I1758 HydrophobicContact CD2-CD1 3.93Å; I1467-I1758 HydrophobicContact CD1-CD1 4.36Å; I1467-I1758 HydrophobicContact CD1-CG2 4.3Å; V1754-I1758 HydrophobicContact CG1-CD1 4.14Å; V1754-I1758 WeakPolarHBondContact O-CD1 3.32Å; V1754-I1758 VanDerWaalsContact O-CG1 3.31Å; V1754-I1758 WeakPolarHBondContact O-CG1 3.31Å; V1754-I1758 PolarHBondContact O-N 3.09Å; G1756-I1758 VanDerWaalsContact C-N 3.35Å; G1756-I1758 PolarHBondContact O-N 3.16Å; I1758-K1762 HydrophobicContact CG2-CD 4.02Å; I1758-K1762 WeakPolarHBondContact O-CB 3.36Å; I1758-K1762 WeakPolarHBondContact O-CD 3.35Å; I1758-K1762 WeakPolarHBondContact O-CG 3.39Å; I1758-K1762 PolarHBondContact O-N 2.92Å; I1758-K1762 VanDerWaalsContact O-N 3.13Å |
| 1759 | D | 92 | Very high | 89.6 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 14% | 0.139 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.9 | -45.4 | 176.1 | -178.9 | 80.7 | 0 | 0 | 0 | 112.3 | R1465 V1755 G1756 A1757 K1762 K1763 W1827 | R1465-D1759 IonicContact NH2-OD1 3.57Å; V1755-D1759 WeakPolarHBondContact O-CB 3.41Å; V1755-D1759 PolarHBondContact O-N 3.19Å; G1756-D1759 WeakPolarHBondContact O-CB 3.3Å; G1756-D1759 PolarHBondContact O-N 3.1Å; G1756-D1759 VanDerWaalsContact O-N 3.08Å; A1757-D1759 VanDerWaalsContact C-N 3.29Å; A1757-D1759 PolarHBondContact O-N 3.47Å; D1759-K1762 PolarHBondContact O-N 3.29Å; D1759-K1763 WeakPolarHBondContact O-CB 3.42Å; D1759-K1763 WeakPolarHBondContact O-CG 3.41Å; D1759-K1763 PolarHBondContact O-N 3.2Å; D1759-K1763 WeakPolarHBondContact OD1-CE 3.33Å; D1759-K1763 IonicContact OD1-NZ 2.72Å; D1759-K1763 WeakPolarHBondContact OD2-CD 3.4Å; D1759-K1763 WeakPolarHBondContact OD2-CE 3.32Å; D1759-K1763 IonicContact OD2-NZ 2.75Å; D1759-K1763 PolarHBondContact OD2-NZ 3.13Å; D1759-W1827 PolarHBondContact OD2-NE1 3.41Å |
| 1760 | L | 91.7 | Very high | 90 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -56.1 | -52.3 | 173.5 | 178 | 59.9 | 0 | 0 | 0 | 110.5 | A1072 I1083 G1756 A1757 K1762 K1763 T1764 W1827 | A1072-L1760 HydrophobicContact CB-CD1 4.23Å; I1083-L1760 HydrophobicContact CD1-CD2 4.37Å; G1756-L1760 WeakPolarHBondContact O-CB 3.27Å; G1756-L1760 PolarHBondContact O-N 3.47Å; A1757-L1760 PolarHBondContact O-N 2.84Å; L1760-K1762 PolarHBondContact O-N 3.46Å; L1760-K1763 PolarHBondContact O-N 3.29Å; L1760-T1764 WeakPolarHBondContact O-CB 3.48Å; L1760-T1764 PolarHBondContact O-N 3.2Å; L1760-T1764 PolarHBondContact O-OG1 3.08Å; L1760-W1827 HydrophobicContact CB-CH2 4.28Å; L1760-W1827 HydrophobicContact CB-CZ2 3.86Å; L1760-W1827 HydrophobicContact CD1-CD2 4.01Å; L1760-W1827 HydrophobicContact CD1-CE3 4.24Å; L1760-W1827 HydrophobicContact CD1-CG 4.27Å |
| 1761 | S | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -51.9 | -51 | 173.4 | 164.4 | 0 | 0 | 0 | 0 | 112.4 | L1089 H1093 A1757 K1763 T1764 V1765 | L1089-S1761 WeakPolarHBondContact O-CB 3.39Å; L1089-S1761 PolarHBondContact O-OG 2.9Å; H1093-S1761 WeakPolarHBondContact CA-OG 3.49Å; H1093-S1761 WeakPolarHBondContact CB-OG 3.32Å; H1093-S1761 PolarHBondContact N-OG 3.49Å; A1757-S1761 VanDerWaalsContact O-CB 3.29Å; A1757-S1761 WeakPolarHBondContact O-CB 3.46Å; A1757-S1761 PolarHBondContact O-N 3.12Å; S1761-K1763 PolarHBondContact O-N 2.93Å; S1761-T1764 PolarHBondContact O-N 3.04Å; S1761-V1765 WeakPolarHBondContact O-CG2 3.12Å; S1761-V1765 PolarHBondContact O-N 3.19Å |
| 1762 | K | 91 | Very high | 89.9 | Confident | 61 Ų | 61 | 33 Ų | 33 | 27% | 0.265 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.1 | -37.4 | -179.3 | -76.5 | 170.6 | -179.2 | 176.1 | 0 | 112.7 | I1758 D1759 L1760 R1766 | I1758-K1762 HydrophobicContact CG2-CD 4.02Å; I1758-K1762 WeakPolarHBondContact O-CB 3.36Å; I1758-K1762 WeakPolarHBondContact O-CD 3.35Å; I1758-K1762 WeakPolarHBondContact O-CG 3.39Å; I1758-K1762 PolarHBondContact O-N 2.92Å; I1758-K1762 VanDerWaalsContact O-N 3.13Å; D1759-K1762 PolarHBondContact O-N 3.29Å; L1760-K1762 PolarHBondContact O-N 3.46Å; K1762-R1766 WeakPolarHBondContact O-CB 3.26Å; K1762-R1766 PolarHBondContact O-N 3.21Å; K1762-R1766 VanDerWaalsContact O-N 3.15Å |
| 1763 | K | 91.4 | Very high | 89.7 | Confident | 89 Ų | 89 | 37.3 Ų | 37.3 | 39% | 0.387 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -70.3 | -42.3 | 175.3 | -74.2 | 172 | -179.9 | 165.2 | 0 | 111.6 | D1759 L1760 S1761 R1766 R1767 W1827 | D1759-K1763 WeakPolarHBondContact O-CB 3.42Å; D1759-K1763 WeakPolarHBondContact O-CG 3.41Å; D1759-K1763 PolarHBondContact O-N 3.2Å; D1759-K1763 WeakPolarHBondContact OD1-CE 3.33Å; D1759-K1763 IonicContact OD1-NZ 2.72Å; D1759-K1763 WeakPolarHBondContact OD2-CD 3.4Å; D1759-K1763 WeakPolarHBondContact OD2-CE 3.32Å; D1759-K1763 IonicContact OD2-NZ 2.75Å; D1759-K1763 PolarHBondContact OD2-NZ 3.13Å; L1760-K1763 PolarHBondContact O-N 3.29Å; S1761-K1763 PolarHBondContact O-N 2.93Å; K1763-R1766 PolarHBondContact O-N 3.15Å; K1763-R1767 WeakPolarHBondContact O-CG 3.32Å; K1763-R1767 PolarHBondContact O-N 3Å; K1763-W1827 VanDerWaalsContact CD-CD1 3.43Å |
| 1764 | T | 90 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 177.4 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | A1068 A1072 L1089 L1760 S1761 R1766 R1767 I1768 L1824 | A1068-T1764 HydrophobicContact CB-CG2 4.46Å; A1068-T1764 WeakPolarHBondContact O-CG2 2.91Å; A1072-T1764 HydrophobicContact CB-CG2 3.63Å; A1072-T1764 WeakPolarHBondContact CB-OG1 3.22Å; L1089-T1764 HydrophobicContact CD2-CG2 3.64Å; L1760-T1764 WeakPolarHBondContact O-CB 3.48Å; L1760-T1764 PolarHBondContact O-N 3.2Å; L1760-T1764 PolarHBondContact O-OG1 3.08Å; S1761-T1764 PolarHBondContact O-N 3.04Å; T1764-R1766 VanDerWaalsContact C-N 3.27Å; T1764-R1766 PolarHBondContact O-N 3.04Å; T1764-R1767 WeakPolarHBondContact O-CB 3.25Å; T1764-R1767 PolarHBondContact O-N 3.45Å; T1764-I1768 HydrophobicContact CG2-CD1 4.02Å; T1764-I1768 WeakPolarHBondContact O-CG1 3.35Å; T1764-I1768 PolarHBondContact O-N 3.36Å; T1764-L1824 HydrophobicContact CG2-CD1 4.4Å |
| 1765 | V | 88.7 | Confident | 88.9 | Confident | 10 Ų | 10 | 38.7 Ų | 38.7 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -33.3 | 175.7 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | E1090 H1093 S1761 R1769 | E1090-V1765 HydrophobicContact CG-CG2 4.26Å; H1093-V1765 HydrophobicContact CB-CB 4.19Å; H1093-V1765 HydrophobicContact CB-CG1 4.48Å; H1093-V1765 HydrophobicContact CB-CG2 3.8Å; S1761-V1765 WeakPolarHBondContact O-CG2 3.12Å; S1761-V1765 PolarHBondContact O-N 3.19Å; V1765-R1769 WeakPolarHBondContact O-CG 3.33Å; V1765-R1769 PolarHBondContact O-N 3.14Å; V1765-R1769 VanDerWaalsContact O-N 3.11Å |
| 1766 | R | 89.2 | Confident | 88.4 | Confident | 173 Ų | 173 | 42 Ų | 42 | 65% | 0.653 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -66.4 | -40.7 | 171.1 | -173.7 | 171.1 | 179.2 | 157 | -1.3 | 112 | K1762 K1763 T1764 R1769 C1770 | K1762-R1766 WeakPolarHBondContact O-CB 3.26Å; K1762-R1766 PolarHBondContact O-N 3.21Å; K1762-R1766 VanDerWaalsContact O-N 3.15Å; K1763-R1766 PolarHBondContact O-N 3.15Å; T1764-R1766 VanDerWaalsContact C-N 3.27Å; T1764-R1766 PolarHBondContact O-N 3.04Å; R1766-R1769 PolarHBondContact O-N 2.97Å; R1766-C1770 PolarHBondContact O-N 1.75Å; R1766-C1770 PolarHBondContact O-SG 3.4Å |
| 1767 | R | 89.8 | Confident | 88.1 | Confident | 83 Ų | 83 | 46.5 Ų | 46.5 | 31% | 0.313 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.4 | -47.9 | 174.7 | -71.6 | -72.2 | -172.9 | -152.9 | -0.7 | 111.8 | K1763 T1764 R1769 C1770 N1771 L1820 L1824 | K1763-R1767 WeakPolarHBondContact O-CG 3.32Å; K1763-R1767 PolarHBondContact O-N 3Å; T1764-R1767 WeakPolarHBondContact O-CB 3.25Å; T1764-R1767 PolarHBondContact O-N 3.45Å; R1767-R1769 VanDerWaalsContact C-N 3.3Å; R1767-R1769 PolarHBondContact O-N 3.36Å; R1767-C1770 CarbonylContact O-C 3.42Å; R1767-C1770 WeakPolarHBondContact O-CA 3.43Å; R1767-C1770 PolarHBondContact O-N 3.25Å; R1767-N1771 VanDerWaalsContact O-CG 3.27Å; R1767-N1771 PolarHBondContact O-N 3.17Å; R1767-N1771 PolarHBondContact O-OD1 3.22Å; R1767-L1820 VanDerWaalsContact NH1-CD1 3.28Å; R1767-L1824 HydrophobicContact CB-CD1 4.25Å; R1767-L1824 HydrophobicContact CG-CD1 4.26Å; R1767-L1824 HydrophobicContact CG-CD2 4Å; R1767-L1824 HydrophobicContact CG-CG 4Å |
| 1768 | I | 86.4 | Confident | 87.7 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.6 | -47.8 | 174.6 | -66.6 | 164 | 0 | 0 | 0 | 110.5 | V991 T1065 A1068 V1069 T1764 C1770 N1771 F1772 | V991-I1768 HydrophobicContact CG1-CG2 3.83Å; T1065-I1768 HydrophobicContact CG2-CD1 4.25Å; T1065-I1768 HydrophobicContact CG2-CG2 4.36Å; A1068-I1768 HydrophobicContact CB-CD1 4.36Å; A1068-I1768 HydrophobicContact CB-CG1 3.53Å; V1069-I1768 HydrophobicContact CG2-CD1 4Å; T1764-I1768 HydrophobicContact CG2-CD1 4.02Å; T1764-I1768 WeakPolarHBondContact O-CG1 3.35Å; T1764-I1768 PolarHBondContact O-N 3.36Å; I1768-C1770 PolarHBondContact O-N 3.48Å; I1768-N1771 WeakPolarHBondContact O-CB 3.12Å; I1768-N1771 PolarHBondContact O-N 3.47Å; I1768-F1772 HydrophobicContact CG2-CD2 3.9Å; I1768-F1772 HydrophobicContact CG2-CE2 4.01Å; I1768-F1772 WeakPolarHBondContact O-CD2 3.14Å; I1768-F1772 PolarHBondContact O-N 3.35Å |
| 1769 | R | 87.7 | Confident | 87.1 | Confident | 140 Ų | 140 | 52.3 Ų | 52.3 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 176.3 | -72 | 178.9 | -171.8 | 159 | 11.2 | 113 | H1093 V1765 R1766 R1767 F1772 I1773 | H1093-R1769 PolarHBondContact NE2-NH2 2.91Å; V1765-R1769 WeakPolarHBondContact O-CG 3.33Å; V1765-R1769 PolarHBondContact O-N 3.14Å; V1765-R1769 VanDerWaalsContact O-N 3.11Å; R1766-R1769 PolarHBondContact O-N 2.97Å; R1767-R1769 VanDerWaalsContact C-N 3.3Å; R1767-R1769 PolarHBondContact O-N 3.36Å; R1769-F1772 PolarHBondContact O-N 2.97Å; R1769-I1773 WeakPolarHBondContact O-CD1 3.4Å; R1769-I1773 VanDerWaalsContact O-CG1 3.24Å; R1769-I1773 WeakPolarHBondContact O-CG1 3.46Å; R1769-I1773 PolarHBondContact O-N 3.02Å |
| 1770 | C | 88.6 | Confident | 86.7 | Confident | 48 Ų | 48 | 57 Ų | 57 | 32% | 0.324 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | R1766 R1767 I1768 I1773 A1774 L1820 | R1766-C1770 PolarHBondContact O-N 1.75Å; R1766-C1770 PolarHBondContact O-SG 3.4Å; R1767-C1770 CarbonylContact O-C 3.42Å; R1767-C1770 WeakPolarHBondContact O-CA 3.43Å; R1767-C1770 PolarHBondContact O-N 3.25Å; I1768-C1770 PolarHBondContact O-N 3.48Å; C1770-I1773 PolarHBondContact O-N 2.77Å; C1770-A1774 WeakPolarHBondContact O-CB 3.49Å; C1770-A1774 PolarHBondContact O-N 2.92Å; C1770-L1820 HydrophobicContact CB-CD2 3.84Å |
| 1771 | N | 87.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 174.4 | -66.6 | -0.7 | 0 | 0 | 0 | 111.1 | A1064 R1767 I1768 A1774 A1775 V1817 L1820 S1821 | A1064-N1771 HydrophobicContact CB-CB 3.57Å; A1064-N1771 PolarHBondContact O-ND2 3.32Å; R1767-N1771 VanDerWaalsContact O-CG 3.27Å; R1767-N1771 PolarHBondContact O-N 3.17Å; R1767-N1771 PolarHBondContact O-OD1 3.22Å; I1768-N1771 WeakPolarHBondContact O-CB 3.12Å; I1768-N1771 PolarHBondContact O-N 3.47Å; N1771-A1774 PolarHBondContact O-N 3.14Å; N1771-A1775 WeakPolarHBondContact O-CB 3.38Å; N1771-A1775 PolarHBondContact O-N 3.04Å; N1771-V1817 HydrophobicContact CB-CG1 4.06Å; N1771-V1817 HydrophobicContact CB-CG2 4.22Å; N1771-L1820 WeakPolarHBondContact OD1-CB 3.35Å; N1771-L1820 VanDerWaalsContact OD1-CD2 3.31Å; N1771-L1820 WeakPolarHBondContact OD1-CD2 3.25Å; N1771-L1820 VanDerWaalsContact OD1-CG 3.22Å; N1771-L1820 WeakPolarHBondContact OD1-CG 3.2Å; N1771-S1821 PolarHBondContact ND2-OG 3.31Å |
| 1772 | F | 84.3 | Confident | 86 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 174.2 | -99.6 | -93.2 | 0 | 0 | 0 | 112.5 | V991 A995 L1061 A1064 T1065 I1768 R1769 A1775 T1776 | V991-F1772 HydrophobicContact CG1-CD2 4.36Å; V991-F1772 HydrophobicContact CG1-CE2 3.43Å; V991-F1772 VanDerWaalsContact CG1-CE2 3.43Å; V991-F1772 HydrophobicContact CG1-CZ 3.8Å; A995-F1772 HydrophobicContact CB-CE1 4.47Å; A995-F1772 HydrophobicContact CB-CZ 3.87Å; L1061-F1772 HydrophobicContact CD1-CD1 3.46Å; L1061-F1772 VanDerWaalsContact CD1-CD1 3.46Å; L1061-F1772 HydrophobicContact CD1-CE1 3.67Å; L1061-F1772 HydrophobicContact CD1-CG 4.29Å; L1061-F1772 HydrophobicContact CG-CD1 4.4Å; L1061-F1772 HydrophobicContact CG-CE1 4.13Å; A1064-F1772 HydrophobicContact CB-CD2 4.13Å; A1064-F1772 HydrophobicContact CB-CE2 4.42Å; T1065-F1772 WeakPolarHBondContact OG1-CE2 3.5Å; I1768-F1772 HydrophobicContact CG2-CD2 3.9Å; I1768-F1772 HydrophobicContact CG2-CE2 4.01Å; I1768-F1772 WeakPolarHBondContact O-CD2 3.14Å; I1768-F1772 PolarHBondContact O-N 3.35Å; R1769-F1772 PolarHBondContact O-N 2.97Å; F1772-A1775 PolarHBondContact O-N 2.86Å; F1772-T1776 VanDerWaalsContact O-CB 3.31Å; F1772-T1776 WeakPolarHBondContact O-CB 3.49Å; F1772-T1776 PolarHBondContact O-N 2.86Å; F1772-T1776 PolarHBondContact O-OG1 3.41Å |
| 1773 | I | 86.2 | Confident | 85.7 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 60% | 0.595 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 178.6 | -70.3 | 163.4 | 0 | 0 | 0 | 110.2 | R1769 C1770 T1776 L1777 | R1769-I1773 WeakPolarHBondContact O-CD1 3.4Å; R1769-I1773 VanDerWaalsContact O-CG1 3.24Å; R1769-I1773 WeakPolarHBondContact O-CG1 3.46Å; R1769-I1773 PolarHBondContact O-N 3.02Å; C1770-I1773 PolarHBondContact O-N 2.77Å; I1773-T1776 PolarHBondContact O-N 3.29Å; I1773-L1777 VanDerWaalsContact O-CB 3.24Å; I1773-L1777 WeakPolarHBondContact O-CB 3.4Å; I1773-L1777 PolarHBondContact O-N 3.44Å |
| 1774 | A | 83.9 | Confident | 85.3 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 20% | 0.198 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -52.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1770 N1771 T1776 L1777 Y1778 | C1770-A1774 WeakPolarHBondContact O-CB 3.49Å; C1770-A1774 PolarHBondContact O-N 2.92Å; N1771-A1774 PolarHBondContact O-N 3.14Å; A1774-T1776 VanDerWaalsContact C-N 3.31Å; A1774-T1776 PolarHBondContact O-N 2.97Å; A1774-L1777 PolarHBondContact O-N 3.5Å; A1774-Y1778 WeakPolarHBondContact O-CD2 3.22Å; A1774-Y1778 PolarHBondContact O-N 2.95Å |
| 1775 | A | 81.7 | Confident | 85 | Confident | 4 Ų | 4 | 61 Ų | 61 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -40.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1060 L1061 N1771 F1772 N1779 V1817 | A1060-A1775 HydrophobicContact CB-CB 3.57Å; L1061-A1775 HydrophobicContact CB-CB 4.4Å; L1061-A1775 HydrophobicContact CD1-CB 4.19Å; N1771-A1775 WeakPolarHBondContact O-CB 3.38Å; N1771-A1775 PolarHBondContact O-N 3.04Å; F1772-A1775 PolarHBondContact O-N 2.86Å; A1775-N1779 PolarHBondContact O-OD1 3.12Å; A1775-V1817 HydrophobicContact CB-CG2 4.32Å |
| 1776 | T | 81 | Confident | 84.6 | Confident | 71 Ų | 71 | 60.6 Ų | 60.6 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -74.6 | -37 | -179 | -49.3 | 0 | 0 | 0 | 0 | 111.7 | F1772 I1773 A1774 Y1778 N1779 L1780 | F1772-T1776 VanDerWaalsContact O-CB 3.31Å; F1772-T1776 WeakPolarHBondContact O-CB 3.49Å; F1772-T1776 PolarHBondContact O-N 2.86Å; F1772-T1776 PolarHBondContact O-OG1 3.41Å; I1773-T1776 PolarHBondContact O-N 3.29Å; A1774-T1776 VanDerWaalsContact C-N 3.31Å; A1774-T1776 PolarHBondContact O-N 2.97Å; T1776-Y1778 PolarHBondContact O-N 3.34Å; T1776-N1779 PolarHBondContact O-N 2.88Å; T1776-L1780 VanDerWaalsContact O-CB 3.32Å; T1776-L1780 WeakPolarHBondContact O-CB 3.44Å; T1776-L1780 PolarHBondContact O-N 3.48Å |
| 1777 | L | 84.7 | Confident | 84.2 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | -176.4 | -173.6 | 69 | 0 | 0 | 0 | 112.3 | I1773 A1774 N1779 L1780 I1781 | I1773-L1777 VanDerWaalsContact O-CB 3.24Å; I1773-L1777 WeakPolarHBondContact O-CB 3.4Å; I1773-L1777 PolarHBondContact O-N 3.44Å; A1774-L1777 PolarHBondContact O-N 3.5Å; L1777-N1779 PolarHBondContact O-N 3.06Å; L1777-L1780 PolarHBondContact O-N 3.47Å; L1777-I1781 HydrophobicContact CD1-CD1 3.93Å; L1777-I1781 HydrophobicContact CD1-CG1 4.47Å; L1777-I1781 HydrophobicContact CG-CD1 3.94Å; L1777-I1781 WeakPolarHBondContact O-CG1 3.25Å; L1777-I1781 PolarHBondContact O-N 3.01Å; L1777-I1781 VanDerWaalsContact O-N 3.11Å |
| 1778 | Y | 82.1 | Confident | 83.4 | Confident | 106 Ų | 106 | 49.3 Ų | 49.3 | 42% | 0.416 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.8 | -49 | 175.8 | -83.7 | -75.3 | 0 | 0 | 0 | 111.9 | A1774 T1776 I1781 G1782 S1813 | A1774-Y1778 WeakPolarHBondContact O-CD2 3.22Å; A1774-Y1778 PolarHBondContact O-N 2.95Å; T1776-Y1778 PolarHBondContact O-N 3.34Å; Y1778-I1781 PolarHBondContact O-N 3.44Å; Y1778-G1782 PolarHBondContact O-N 3.2Å; Y1778-S1813 VanDerWaalsContact CD2-CB 3.49Å; Y1778-S1813 WeakPolarHBondContact CD2-OG 3.27Å |
| 1779 | N | 80.8 | Confident | 82.3 | Confident | 17 Ų | 17 | 56.3 Ų | 56.3 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -73.1 | -33.4 | -176.4 | -61.5 | 38.3 | 0 | 0 | 0 | 111.5 | F1002 A1056 C1057 A1775 T1776 L1777 V1783 | F1002-N1779 HydrophobicContact CZ-CB 4.48Å; A1056-N1779 VanDerWaalsContact C-ND2 3.28Å; A1056-N1779 PolarHBondContact O-ND2 3.27Å; C1057-N1779 PolarHBondContact O-ND2 2.66Å; A1775-N1779 PolarHBondContact O-OD1 3.12Å; T1776-N1779 PolarHBondContact O-N 2.88Å; L1777-N1779 PolarHBondContact O-N 3.06Å; N1779-V1783 WeakPolarHBondContact O-CG2 3.34Å; N1779-V1783 PolarHBondContact O-N 3.08Å; N1779-V1783 VanDerWaalsContact O-N 3.17Å |
| 1780 | L | 83.8 | Confident | 80.8 | Confident | 124 Ų | 124 | 54.8 Ų | 54.8 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.9 | -34.8 | 176.8 | -165.9 | 78.5 | 0 | 0 | 0 | 112.7 | T1776 L1777 P1784 | T1776-L1780 VanDerWaalsContact O-CB 3.32Å; T1776-L1780 WeakPolarHBondContact O-CB 3.44Å; T1776-L1780 PolarHBondContact O-N 3.48Å; L1777-L1780 PolarHBondContact O-N 3.47Å; L1780-P1784 WeakPolarHBondContact O-CD 3.3Å; L1780-P1784 WeakPolarHBondContact O-CG 3.22Å |
| 1781 | I | 84.6 | Confident | 79.4 | Confident | 101 Ų | 101 | 54.8 Ų | 54.8 | 52% | 0.518 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -84.7 | -41.7 | 176.3 | -63.8 | 171.4 | 0 | 0 | 0 | 110.8 | L1777 Y1778 P1784 V1785 | L1777-I1781 HydrophobicContact CD1-CD1 3.93Å; L1777-I1781 HydrophobicContact CD1-CG1 4.47Å; L1777-I1781 HydrophobicContact CG-CD1 3.94Å; L1777-I1781 WeakPolarHBondContact O-CG1 3.25Å; L1777-I1781 PolarHBondContact O-N 3.01Å; L1777-I1781 VanDerWaalsContact O-N 3.11Å; Y1778-I1781 PolarHBondContact O-N 3.44Å; I1781-P1784 WeakPolarHBondContact O-CD 3.44Å; I1781-V1785 WeakPolarHBondContact O-CG2 3.46Å |
| 1782 | G | 82.3 | Confident | 77.8 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1778 V1785 A1786 | Y1778-G1782 PolarHBondContact O-N 3.2Å; G1782-V1785 PolarHBondContact O-N 3.42Å; G1782-A1786 VanDerWaalsContact O-CB 3.29Å; G1782-A1786 WeakPolarHBondContact O-CB 3.48Å; G1782-A1786 PolarHBondContact O-N 3.19Å |
| 1783 | V | 85.1 | Confident | 76.2 | Confident | 31 Ų | 31 | 63 Ų | 63 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -48.8 | -177 | 171.3 | 0 | 0 | 0 | 0 | 113 | V1052 I1055 A1056 N1779 V1785 A1786 A1787 | V1052-V1783 HydrophobicContact CG1-CG1 4.49Å; I1055-V1783 HydrophobicContact CG2-CG2 3.91Å; A1056-V1783 HydrophobicContact CB-CG2 3.6Å; N1779-V1783 WeakPolarHBondContact O-CG2 3.34Å; N1779-V1783 PolarHBondContact O-N 3.08Å; N1779-V1783 VanDerWaalsContact O-N 3.17Å; V1783-V1785 VanDerWaalsContact C-N 3.31Å; V1783-V1785 PolarHBondContact O-N 2.93Å; V1783-A1786 PolarHBondContact O-N 3.41Å; V1783-A1787 WeakPolarHBondContact O-CB 3.37Å; V1783-A1787 PolarHBondContact O-N 3.4Å |
| 1784 | P | 84 | Confident | 74.7 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 29% | 0.292 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.1 | -31.4 | 176.6 | -24.7 | 35.6 | 0 | 0 | 0 | 114.3 | L1780 I1781 Q1789 F1790 | L1780-P1784 WeakPolarHBondContact O-CD 3.3Å; L1780-P1784 WeakPolarHBondContact O-CG 3.22Å; I1781-P1784 WeakPolarHBondContact O-CD 3.44Å; P1784-Q1789 WeakPolarHBondContact O-CB 3.29Å; P1784-Q1789 PolarHBondContact O-N 2.82Å; P1784-F1790 HydrophobicContact CB-CD2 4.4Å; P1784-F1790 HydrophobicContact CB-CE2 4.24Å |
| 1785 | V | 82.2 | Confident | 73.1 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 29% | 0.291 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.7 | -46.7 | 174.6 | 173 | 0 | 0 | 0 | 0 | 110.4 | I1781 G1782 V1783 A1787 G1788 L1801 | I1781-V1785 WeakPolarHBondContact O-CG2 3.46Å; G1782-V1785 PolarHBondContact O-N 3.42Å; V1783-V1785 VanDerWaalsContact C-N 3.31Å; V1783-V1785 PolarHBondContact O-N 2.93Å; V1785-A1787 VanDerWaalsContact C-N 3.34Å; V1785-A1787 PolarHBondContact O-N 3.4Å; V1785-G1788 PolarHBondContact O-N 3.09Å; V1785-L1801 HydrophobicContact CG1-CB 4.37Å; V1785-L1801 HydrophobicContact CG1-CD1 4.28Å; V1785-L1801 HydrophobicContact CG1-CD2 4.4Å |
| 1786 | A | 81.9 | Confident | 71.8 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.1 | -30.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | T1051 V1052 I1055 G1782 V1783 G1788 L1801 | T1051-A1786 HydrophobicContact CG2-CB 3.62Å; V1052-A1786 HydrophobicContact CG2-CB 3.87Å; I1055-A1786 HydrophobicContact CG2-CB 3.75Å; G1782-A1786 VanDerWaalsContact O-CB 3.29Å; G1782-A1786 WeakPolarHBondContact O-CB 3.48Å; G1782-A1786 PolarHBondContact O-N 3.19Å; V1783-A1786 PolarHBondContact O-N 3.41Å; A1786-G1788 PolarHBondContact O-N 2.77Å; A1786-L1801 HydrophobicContact CB-CD2 3.96Å |
| 1787 | A | 80 | Confident | 70.5 | Confident | 10 Ų | 10 | 73 Ų | 73 | 8% | 0.083 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -10.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1013 W1017 V1052 V1783 V1785 Q1789 | V1013-A1787 HydrophobicContact CG2-CB 3.85Å; W1017-A1787 PolarHBondContact NE1-O 3.2Å; V1052-A1787 HydrophobicContact CG2-CB 3.93Å; V1783-A1787 WeakPolarHBondContact O-CB 3.37Å; V1783-A1787 PolarHBondContact O-N 3.4Å; V1785-A1787 VanDerWaalsContact C-N 3.34Å; V1785-A1787 PolarHBondContact O-N 3.4Å; A1787-Q1789 VanDerWaalsContact C-N 3.31Å |
| 1788 | G | 72.3 | Confident | 69.2 | Low | 9 Ų | 9 | 70.7 Ų | 70.7 | 9% | 0.093 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 5.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V1785 A1786 F1790 I1791 | V1785-G1788 PolarHBondContact O-N 3.09Å; A1786-G1788 PolarHBondContact O-N 2.77Å; G1788-F1790 PolarHBondContact O-N 3.23Å; G1788-I1791 VanDerWaalsContact CA-CD1 3.49Å; G1788-I1791 WeakPolarHBondContact O-CB 3.36Å; G1788-I1791 WeakPolarHBondContact O-CG1 3.45Å; G1788-I1791 PolarHBondContact O-N 2.93Å |
| 1789 | Q | 64.2 | Low | 68.1 | Low | 154 Ų | 154 | 70.9 Ų | 70.9 | 72% | 0.72 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28 | -176.6 | -155.9 | 90.8 | 43.7 | 0 | 0 | 112.9 | P1784 A1787 | P1784-Q1789 WeakPolarHBondContact O-CB 3.29Å; P1784-Q1789 PolarHBondContact O-N 2.82Å; A1787-Q1789 VanDerWaalsContact C-N 3.31Å |
| 1790 | F | 56.9 | Low | 67.3 | Low | 108 Ų | 108 | 74 Ų | 74 | 47% | 0.474 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 4.8 | 178.3 | -79.6 | -82.4 | 0 | 0 | 0 | 114.6 | P1784 G1788 C1792 C1793 L1794 | P1784-F1790 HydrophobicContact CB-CD2 4.4Å; P1784-F1790 HydrophobicContact CB-CE2 4.24Å; G1788-F1790 PolarHBondContact O-N 3.23Å; F1790-C1792 VanDerWaalsContact C-N 3.25Å; F1790-C1792 PolarHBondContact O-N 2.91Å; F1790-C1793 HydrophobicContact CD1-CB 4.49Å; F1790-C1793 CarbonylContact O-C 3.44Å; F1790-C1793 WeakPolarHBondContact O-CA 3.11Å; F1790-C1793 PolarHBondContact O-N 3.49Å; F1790-L1794 HydrophobicContact CB-CD1 3.75Å; F1790-L1794 HydrophobicContact CB-CG 4.23Å; F1790-L1794 PolarHBondContact O-N 3.16Å |
| 1791 | I | 57.9 | Low | 66.7 | Low | 48 Ų | 48 | 69.5 Ų | 69.5 | 25% | 0.246 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.4 | -33.9 | -175.5 | -76.3 | 173.2 | 0 | 0 | 0 | 112.4 | W1017 M1048 G1788 C1793 L1794 M1795 | W1017-I1791 HydrophobicContact CH2-CD1 4.09Å; W1017-I1791 HydrophobicContact CZ2-CD1 3.93Å; M1048-I1791 HydrophobicContact CE-CD1 3.84Å; G1788-I1791 VanDerWaalsContact CA-CD1 3.49Å; G1788-I1791 WeakPolarHBondContact O-CB 3.36Å; G1788-I1791 WeakPolarHBondContact O-CG1 3.45Å; G1788-I1791 PolarHBondContact O-N 2.93Å; I1791-C1793 PolarHBondContact O-N 2.84Å; I1791-L1794 PolarHBondContact O-N 3.43Å; I1791-M1795 HydrophobicContact CG2-CG 4.15Å; I1791-M1795 WeakPolarHBondContact O-CB 3.43Å; I1791-M1795 WeakPolarHBondContact O-CG 3.06Å; I1791-M1795 PolarHBondContact O-N 2.85Å |
| 1792 | C | 53.7 | Low | 66.2 | Low | 114 Ų | 114 | 67.2 Ų | 67.2 | 77% | 0.77 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.6 | -26.4 | 172.7 | -72 | 0 | 0 | 0 | 0 | 114.1 | F1790 | F1790-C1792 VanDerWaalsContact C-N 3.25Å; F1790-C1792 PolarHBondContact O-N 2.91Å |
| 1793 | C | 51.3 | Low | 65.7 | Low | 90 Ų | 90 | 67.3 Ų | 67.3 | 61% | 0.608 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -96.8 | -24.1 | 175.3 | -68.3 | 0 | 0 | 0 | 0 | 113.5 | F1790 I1791 | F1790-C1793 HydrophobicContact CD1-CB 4.49Å; F1790-C1793 CarbonylContact O-C 3.44Å; F1790-C1793 WeakPolarHBondContact O-CA 3.11Å; F1790-C1793 PolarHBondContact O-N 3.49Å; I1791-C1793 PolarHBondContact O-N 2.84Å |
| 1794 | L | 54.1 | Low | 65.2 | Low | 49 Ų | 49 | 70.1 Ų | 70.1 | 26% | 0.257 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -96.6 | -12.9 | -176.9 | -74.2 | 170.4 | 0 | 0 | 0 | 114 | F1790 I1791 P1796 F1797 G1798 | F1790-L1794 HydrophobicContact CB-CD1 3.75Å; F1790-L1794 HydrophobicContact CB-CG 4.23Å; F1790-L1794 PolarHBondContact O-N 3.16Å; I1791-L1794 PolarHBondContact O-N 3.43Å; L1794-P1796 VanDerWaalsContact C-CD 3.46Å; L1794-F1797 PolarHBondContact O-N 2.89Å; L1794-G1798 PolarHBondContact O-N 3.03Å |
| 1795 | M | 50.9 | Low | 64.9 | Low | 116 Ų | 116 | 73.1 Ų | 73.1 | 57% | 0.571 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -45 | -47.4 | 172.4 | -98.2 | -166.2 | -72.1 | 0 | 0 | 114.7 | I1791 F1797 G1798 | I1791-M1795 HydrophobicContact CG2-CG 4.15Å; I1791-M1795 WeakPolarHBondContact O-CB 3.43Å; I1791-M1795 WeakPolarHBondContact O-CG 3.06Å; I1791-M1795 PolarHBondContact O-N 2.85Å; M1795-F1797 PolarHBondContact O-N 3.28Å; M1795-F1797 VanDerWaalsContact O-N 3.15Å; M1795-G1798 PolarHBondContact O-N 3.33Å |
| 1796 | P | 53.8 | Low | 64.8 | Low | 105 Ų | 105 | 70.8 Ų | 70.8 | 68% | 0.682 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -66.5 | -12.7 | 178.7 | 25.9 | -35.8 | 0 | 0 | 0 | 114.9 | L1794 | L1794-P1796 VanDerWaalsContact C-CD 3.46Š|
| 1797 | F | 54.1 | Low | 64.4 | Low | 155 Ų | 155 | 70.8 Ų | 70.8 | 68% | 0.68 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -102.4 | -7.1 | 177.3 | -66.7 | -76.4 | 0 | 0 | 0 | 113.5 | L1794 M1795 I1799 | L1794-F1797 PolarHBondContact O-N 2.89Å; M1795-F1797 PolarHBondContact O-N 3.28Å; M1795-F1797 VanDerWaalsContact O-N 3.15Å; F1797-I1799 HydrophobicContact CB-CD1 4.31Å; F1797-I1799 HydrophobicContact CB-CG1 4.22Å; F1797-I1799 PolarHBondContact O-N 2.79Å |
| 1798 | G | 56.8 | Low | 64.3 | Low | 44 Ų | 44 | 71.7 Ų | 71.7 | 45% | 0.454 | 39% | 0.387 | S | S | . | . | trans | 69.7 | -7.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | L1794 M1795 E1800 | L1794-G1798 PolarHBondContact O-N 3.03Å; M1795-G1798 PolarHBondContact O-N 3.33Å; G1798-E1800 PolarHBondContact O-N 3.05Å; G1798-E1800 VanDerWaalsContact O-N 3.15Å | ||
| 1799 | I | 58.5 | Low | 64.7 | Low | 110 Ų | 110 | 72.6 Ų | 72.6 | 56% | 0.564 | 39% | 0.393 | S | S | * | . | trans | -67.7 | 109.6 | -173.1 | -53.7 | 175.5 | 0 | 0 | 0 | 111.2 | F1797 | F1797-I1799 HydrophobicContact CB-CD1 4.31Å; F1797-I1799 HydrophobicContact CB-CG1 4.22Å; F1797-I1799 PolarHBondContact O-N 2.79Å | ||
| 1800 | E | 64.9 | Low | 65.3 | Low | 81 Ų | 81 | 65.8 Ų | 65.8 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | trans | -114.3 | 127.1 | 172.1 | -168 | 164.5 | 161.9 | 0 | 0 | 109.2 | K1029 H1044 M1048 G1798 T1802 | K1029-E1800 IonicContact NZ-OE2 3.94Å; K1029-E1800 PolarHBondContact NZ-OE2 3.46Å; K1029-E1800 VanDerWaalsContact NZ-OE2 3.14Å; H1044-E1800 IonicContact CE1-OE1 2.85Å; M1048-E1800 HydrophobicContact CE-CG 4.15Å; G1798-E1800 PolarHBondContact O-N 3.05Å; G1798-E1800 VanDerWaalsContact O-N 3.15Å; E1800-T1802 PolarHBondContact O-N 2.72Å | ||
| 1801 | L | 71.7 | Confident | 66.1 | Low | 31 Ų | 31 | 61.5 Ų | 61.5 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | trans | -82.8 | 103.9 | -171.2 | -155.6 | 83.6 | 0 | 0 | 0 | 110.3 | T1051 V1785 A1786 F1805 A1806 | T1051-L1801 HydrophobicContact CG2-CB 4.15Å; T1051-L1801 HydrophobicContact CG2-CD2 3.87Å; T1051-L1801 HydrophobicContact CG2-CG 4.23Å; T1051-L1801 WeakPolarHBondContact CG2-O 3.12Å; T1051-L1801 PolarHBondContact OG1-O 2.79Å; V1785-L1801 HydrophobicContact CG1-CB 4.37Å; V1785-L1801 HydrophobicContact CG1-CD1 4.28Å; V1785-L1801 HydrophobicContact CG1-CD2 4.4Å; A1786-L1801 HydrophobicContact CB-CD2 3.96Å; L1801-F1805 HydrophobicContact CD1-CD1 3.62Å; L1801-F1805 HydrophobicContact CD1-CE1 3.95Å; L1801-F1805 HydrophobicContact CG-CD1 4.35Å; L1801-A1806 HydrophobicContact CD2-CB 4.42Å | ||
| 1802 | T | 73.4 | Confident | 67.1 | Low | 52 Ų | 52 | 61.3 Ų | 61.3 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | trans | -73.2 | 150.9 | 178 | 63 | 0 | 0 | 0 | 0 | 111.7 | E1800 W1804 F1805 A1806 | E1800-T1802 PolarHBondContact O-N 2.72Å; T1802-W1804 PolarHBondContact O-N 3.44Å; T1802-W1804 PolarHBondContact OG1-NE1 3.24Å; T1802-W1804 VanDerWaalsContact OG1-NE1 3.12Å; T1802-F1805 PolarHBondContact O-N 2.93Å; T1802-F1805 VanDerWaalsContact O-N 3.15Å; T1802-F1805 WeakPolarHBondContact OG1-CB 3.49Å; T1802-F1805 PolarHBondContact OG1-N 3.14Å; T1802-A1806 PolarHBondContact O-N 3.1Å | ||
| 1803 | P | 71.5 | Confident | 68.5 | Low | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -31.6 | 179.5 | -21 | 29.3 | 0 | 0 | 0 | 113.8 | T824 I1050 T1051 S1807 | T824-P1803 HydrophobicContact CG2-CB 3.61Å; T824-P1803 WeakPolarHBondContact OG1-CB 3.19Å; I1050-P1803 HydrophobicContact CG2-CB 4.12Å; I1050-P1803 HydrophobicContact CG2-CG 4.23Å; T1051-P1803 WeakPolarHBondContact OG1-CG 3.1Å; P1803-S1807 PolarHBondContact O-N 3.39Å; P1803-S1807 VanDerWaalsContact O-N 3.16Å |
| 1804 | W | 75 | Confident | 69.8 | Low | 89 Ų | 89 | 52 Ų | 52 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 176.2 | 71.7 | -105.8 | 0 | 0 | 0 | 111.8 | M827 T1802 A1806 S1807 A1808 | M827-W1804 HydrophobicContact CB-CB 4.36Å; M827-W1804 HydrophobicContact CG-CB 4.31Å; T1802-W1804 PolarHBondContact O-N 3.44Å; T1802-W1804 PolarHBondContact OG1-NE1 3.24Å; T1802-W1804 VanDerWaalsContact OG1-NE1 3.12Å; W1804-A1806 VanDerWaalsContact C-N 3.31Å; W1804-A1806 PolarHBondContact O-N 2.95Å; W1804-S1807 PolarHBondContact O-N 3.32Å; W1804-S1807 VanDerWaalsContact O-N 3.16Å; W1804-S1807 PolarHBondContact O-OG 3.24Å; W1804-A1808 PolarHBondContact O-N 2.85Å; W1804-A1808 VanDerWaalsContact O-N 3.1Å |
| 1805 | F | 78.5 | Confident | 71 | Confident | 108 Ų | 108 | 53.5 Ų | 53.5 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.7 | -36 | 176.6 | -172.4 | -98.4 | 0 | 0 | 0 | 111.3 | L1801 T1802 S1807 A1808 A1809 | L1801-F1805 HydrophobicContact CD1-CD1 3.62Å; L1801-F1805 HydrophobicContact CD1-CE1 3.95Å; L1801-F1805 HydrophobicContact CG-CD1 4.35Å; T1802-F1805 PolarHBondContact O-N 2.93Å; T1802-F1805 VanDerWaalsContact O-N 3.15Å; T1802-F1805 WeakPolarHBondContact OG1-CB 3.49Å; T1802-F1805 PolarHBondContact OG1-N 3.14Å; F1805-S1807 VanDerWaalsContact C-N 3.35Å; F1805-S1807 PolarHBondContact O-N 3.05Å; F1805-A1808 PolarHBondContact O-N 2.62Å; F1805-A1809 PolarHBondContact O-N 2.93Å |
| 1806 | A | 79 | Confident | 72.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T1051 I1055 L1801 T1802 W1804 A1809 M1810 | T1051-A1806 HydrophobicContact CG2-CB 4.15Å; I1055-A1806 HydrophobicContact CB-CB 3.91Å; I1055-A1806 HydrophobicContact CD1-CB 3.98Å; I1055-A1806 HydrophobicContact CG1-CB 4.41Å; L1801-A1806 HydrophobicContact CD2-CB 4.42Å; T1802-A1806 PolarHBondContact O-N 3.1Å; W1804-A1806 VanDerWaalsContact C-N 3.31Å; W1804-A1806 PolarHBondContact O-N 2.95Å; A1806-A1809 PolarHBondContact O-N 3.45Å; A1806-M1810 PolarHBondContact O-N 3.11Å; A1806-M1810 VanDerWaalsContact O-N 3.07Å |
| 1807 | S | 74.7 | Confident | 74.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.4 | -34.9 | 176.4 | 74.5 | 0 | 0 | 0 | 0 | 113.4 | F831 P1803 W1804 F1805 M1810 A1811 | F831-S1807 WeakPolarHBondContact CD2-OG 3.29Å; P1803-S1807 PolarHBondContact O-N 3.39Å; P1803-S1807 VanDerWaalsContact O-N 3.16Å; W1804-S1807 PolarHBondContact O-N 3.32Å; W1804-S1807 VanDerWaalsContact O-N 3.16Å; W1804-S1807 PolarHBondContact O-OG 3.24Å; F1805-S1807 VanDerWaalsContact C-N 3.35Å; F1805-S1807 PolarHBondContact O-N 3.05Å; S1807-M1810 WeakPolarHBondContact O-CB 3.43Å; S1807-M1810 PolarHBondContact O-N 3.48Å; S1807-A1811 PolarHBondContact O-N 2.95Å |
| 1808 | A | 77.6 | Confident | 75.4 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F831 W1804 F1805 M1810 A1811 A1812 | F831-A1808 HydrophobicContact CE2-CB 4.19Å; F831-A1808 HydrophobicContact CZ-CB 4.24Å; W1804-A1808 PolarHBondContact O-N 2.85Å; W1804-A1808 VanDerWaalsContact O-N 3.1Å; F1805-A1808 PolarHBondContact O-N 2.62Å; A1808-M1810 VanDerWaalsContact C-N 3.33Å; A1808-M1810 PolarHBondContact O-N 3.34Å; A1808-A1811 PolarHBondContact O-N 3.45Å; A1808-A1812 PolarHBondContact O-N 2.88Å |
| 1809 | A | 79.7 | Confident | 76.7 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -38.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1055 F1805 A1806 A1811 A1812 S1813 | I1055-A1809 HydrophobicContact CD1-CB 4.05Å; F1805-A1809 PolarHBondContact O-N 2.93Å; A1806-A1809 PolarHBondContact O-N 3.45Å; A1809-A1811 PolarHBondContact O-N 2.79Å; A1809-A1812 PolarHBondContact O-N 3.11Å; A1809-S1813 PolarHBondContact O-N 2.7Å |
| 1810 | M | 76.6 | Confident | 78.1 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.059 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 173.5 | 175.3 | -166.1 | 163.3 | 0 | 0 | 112.6 | M787 V832 C1057 C1059 A1806 S1807 A1808 S1814 | M787-M1810 HydrophobicContact CE-CE 3.39Å; V832-M1810 HydrophobicContact CG2-CE 3.68Å; V832-M1810 HydrophobicContact CG2-SD 4.19Å; C1057-M1810 HydrophobicContact CB-CE 3.65Å; C1057-M1810 HydrophobicContact CB-CG 4.05Å; C1057-M1810 HydrophobicContact CB-SD 3.36Å; C1057-M1810 WeakPolarHBondContact CB-SD 3.49Å; C1059-M1810 HydrophobicContact CB-CE 3.84Å; A1806-M1810 PolarHBondContact O-N 3.11Å; A1806-M1810 VanDerWaalsContact O-N 3.07Å; S1807-M1810 WeakPolarHBondContact O-CB 3.43Å; S1807-M1810 PolarHBondContact O-N 3.48Å; A1808-M1810 VanDerWaalsContact C-N 3.33Å; A1808-M1810 PolarHBondContact O-N 3.34Å; M1810-S1814 PolarHBondContact O-N 3.06Å; M1810-S1814 PolarHBondContact O-OG 3.34Å |
| 1811 | A | 74.5 | Confident | 79 | Confident | 18 Ų | 18 | 33.4 Ų | 33.4 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.7 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F831 S1807 A1808 A1809 S1813 S1814 L1815 | F831-A1811 HydrophobicContact CB-CB 4.12Å; F831-A1811 HydrophobicContact CD1-CB 4.02Å; F831-A1811 HydrophobicContact CG-CB 4.35Å; S1807-A1811 PolarHBondContact O-N 2.95Å; A1808-A1811 PolarHBondContact O-N 3.45Å; A1809-A1811 PolarHBondContact O-N 2.79Å; A1811-S1813 PolarHBondContact O-N 3.01Å; A1811-S1814 WeakPolarHBondContact O-CB 3.42Å; A1811-S1814 PolarHBondContact O-N 3.16Å; A1811-S1814 VanDerWaalsContact O-N 3.16Å; A1811-L1815 PolarHBondContact O-N 3.12Å |
| 1812 | A | 79.7 | Confident | 79.6 | Confident | 44 Ų | 44 | 35 Ų | 35 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.1 | -42.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1808 A1809 S1814 L1815 S1816 | A1808-A1812 PolarHBondContact O-N 2.88Å; A1809-A1812 PolarHBondContact O-N 3.11Å; A1812-S1814 VanDerWaalsContact C-N 3.33Å; A1812-S1814 PolarHBondContact O-N 3.14Å; A1812-L1815 PolarHBondContact O-N 3.23Å; A1812-S1816 WeakPolarHBondContact O-CB 3.4Å; A1812-S1816 PolarHBondContact O-N 3.45Å |
| 1813 | S | 82.9 | Confident | 80.2 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.3 | -47.6 | 172.8 | 179 | 0 | 0 | 0 | 0 | 111.6 | A1060 Y1778 A1809 A1811 S1816 V1817 | A1060-S1813 WeakPolarHBondContact CB-OG 3.17Å; Y1778-S1813 VanDerWaalsContact CD2-CB 3.49Å; Y1778-S1813 WeakPolarHBondContact CD2-OG 3.27Å; A1809-S1813 PolarHBondContact O-N 2.7Å; A1811-S1813 PolarHBondContact O-N 3.01Å; S1813-S1816 PolarHBondContact O-N 2.06Å; S1813-S1816 PolarHBondContact O-OG 3.3Å; S1813-V1817 PolarHBondContact O-N 3.24Å |
| 1814 | S | 77.8 | Confident | 80.9 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 179.7 | -52.9 | 0 | 0 | 0 | 0 | 112.6 | C1059 M1810 A1811 A1812 V1817 I1818 | C1059-S1814 WeakPolarHBondContact CB-OG 3.45Å; M1810-S1814 PolarHBondContact O-N 3.06Å; M1810-S1814 PolarHBondContact O-OG 3.34Å; A1811-S1814 WeakPolarHBondContact O-CB 3.42Å; A1811-S1814 PolarHBondContact O-N 3.16Å; A1811-S1814 VanDerWaalsContact O-N 3.16Å; A1812-S1814 VanDerWaalsContact C-N 3.33Å; A1812-S1814 PolarHBondContact O-N 3.14Å; S1814-V1817 PolarHBondContact O-N 2.9Å; S1814-I1818 WeakPolarHBondContact O-CG1 3.49Å; S1814-I1818 PolarHBondContact O-N 3.39Å |
| 1815 | L | 80.1 | Confident | 81.3 | Confident | 80 Ų | 80 | 36.2 Ų | 36.2 | 42% | 0.419 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 175.8 | -177.7 | 62.4 | 0 | 0 | 0 | 111.9 | L838 A1811 A1812 V1817 I1818 L1819 | L838-L1815 HydrophobicContact CD1-CD1 4.39Å; A1811-L1815 PolarHBondContact O-N 3.12Å; A1812-L1815 PolarHBondContact O-N 3.23Å; L1815-V1817 VanDerWaalsContact C-N 3.29Å; L1815-V1817 PolarHBondContact O-N 3.06Å; L1815-I1818 PolarHBondContact O-N 2.85Å; L1815-L1819 HydrophobicContact CD1-CD1 4.32Å; L1815-L1819 HydrophobicContact CD1-CG 4.32Å; L1815-L1819 HydrophobicContact CG-CD1 4Å; L1815-L1819 HydrophobicContact CG-CG 4.44Å; L1815-L1819 WeakPolarHBondContact O-CG 3.19Å; L1815-L1819 PolarHBondContact O-N 3.37Å |
| 1816 | S | 85.3 | Confident | 81.7 | Confident | 35 Ų | 35 | 41.3 Ų | 41.3 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.8 | -39.2 | 179.2 | 80.5 | 0 | 0 | 0 | 0 | 112.4 | A1812 S1813 L1820 | A1812-S1816 WeakPolarHBondContact O-CB 3.4Å; A1812-S1816 PolarHBondContact O-N 3.45Å; S1813-S1816 PolarHBondContact O-N 2.06Å; S1813-S1816 PolarHBondContact O-OG 3.3Å; S1816-L1820 VanDerWaalsContact O-CB 3.24Å; S1816-L1820 WeakPolarHBondContact O-CB 3.37Å; S1816-L1820 PolarHBondContact O-N 3.12Å |
| 1817 | V | 85 | Confident | 82.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.9 | -41.7 | 176.3 | 164.4 | 0 | 0 | 0 | 0 | 111.8 | A1060 L1063 A1064 N1771 A1775 S1813 S1814 L1815 L1820 S1821 | A1060-V1817 HydrophobicContact CB-CG2 3.97Å; L1063-V1817 HydrophobicContact CD2-CG1 4.26Å; A1064-V1817 HydrophobicContact CB-CG1 4.14Å; N1771-V1817 HydrophobicContact CB-CG1 4.06Å; N1771-V1817 HydrophobicContact CB-CG2 4.22Å; A1775-V1817 HydrophobicContact CB-CG2 4.32Å; S1813-V1817 PolarHBondContact O-N 3.24Å; S1814-V1817 PolarHBondContact O-N 2.9Å; L1815-V1817 VanDerWaalsContact C-N 3.29Å; L1815-V1817 PolarHBondContact O-N 3.06Å; V1817-L1820 PolarHBondContact O-N 3.23Å; V1817-S1821 WeakPolarHBondContact O-CB 3.37Å; V1817-S1821 PolarHBondContact O-N 2.8Å; V1817-S1821 PolarHBondContact O-OG 2.87Å |
| 1818 | I | 80.7 | Confident | 82.8 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 177.5 | -67.3 | 171.5 | 0 | 0 | 0 | 110.5 | L838 A842 L1063 S1814 L1815 L1820 S1821 L1822 | L838-I1818 HydrophobicContact CB-CD1 3.88Å; A842-I1818 HydrophobicContact CB-CG2 4.5Å; L1063-I1818 HydrophobicContact CD1-CD1 4.45Å; L1063-I1818 HydrophobicContact CD2-CD1 4.08Å; L1063-I1818 HydrophobicContact CD2-CG1 3.51Å; S1814-I1818 WeakPolarHBondContact O-CG1 3.49Å; S1814-I1818 PolarHBondContact O-N 3.39Å; L1815-I1818 PolarHBondContact O-N 2.85Å; I1818-L1820 VanDerWaalsContact C-N 3.35Å; I1818-L1820 PolarHBondContact O-N 2.98Å; I1818-S1821 PolarHBondContact O-N 2.88Å; I1818-L1822 HydrophobicContact CG2-CD1 3.97Å; I1818-L1822 HydrophobicContact CG2-CG 4.49Å; I1818-L1822 WeakPolarHBondContact O-CG 3.41Å; I1818-L1822 PolarHBondContact O-N 3Å |
| 1819 | L | 83.8 | Confident | 83.2 | Confident | 101 Ų | 101 | 51.9 Ų | 51.9 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 176.8 | -69.3 | 170.4 | 0 | 0 | 0 | 111.8 | L1815 L1822 L1823 | L1815-L1819 HydrophobicContact CD1-CD1 4.32Å; L1815-L1819 HydrophobicContact CD1-CG 4.32Å; L1815-L1819 HydrophobicContact CG-CD1 4Å; L1815-L1819 HydrophobicContact CG-CG 4.44Å; L1815-L1819 WeakPolarHBondContact O-CG 3.19Å; L1815-L1819 PolarHBondContact O-N 3.37Å; L1819-L1822 PolarHBondContact O-N 2.83Å; L1819-L1823 PolarHBondContact O-N 3.43Å |
| 1820 | L | 87.3 | Confident | 83.5 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 20% | 0.199 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.6 | -33.6 | 179.5 | -172.2 | 54.6 | 0 | 0 | 0 | 113 | R1767 C1770 N1771 S1816 V1817 I1818 L1823 | R1767-L1820 VanDerWaalsContact NH1-CD1 3.28Å; C1770-L1820 HydrophobicContact CB-CD2 3.84Å; N1771-L1820 WeakPolarHBondContact OD1-CB 3.35Å; N1771-L1820 VanDerWaalsContact OD1-CD2 3.31Å; N1771-L1820 WeakPolarHBondContact OD1-CD2 3.25Å; N1771-L1820 VanDerWaalsContact OD1-CG 3.22Å; N1771-L1820 WeakPolarHBondContact OD1-CG 3.2Å; S1816-L1820 VanDerWaalsContact O-CB 3.24Å; S1816-L1820 WeakPolarHBondContact O-CB 3.37Å; S1816-L1820 PolarHBondContact O-N 3.12Å; V1817-L1820 PolarHBondContact O-N 3.23Å; I1818-L1820 VanDerWaalsContact C-N 3.35Å; I1818-L1820 PolarHBondContact O-N 2.98Å; L1820-L1823 HydrophobicContact CD1-CD1 4.16Å |
| 1821 | S | 85 | Confident | 83.8 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 168.5 | -75.3 | 0 | 0 | 0 | 0 | 112.2 | T1067 A1068 N1771 V1817 I1818 L1823 L1824 | T1067-S1821 PolarHBondContact OG1-OG 2.81Å; A1068-S1821 PolarHBondContact N-OG 3.25Å; N1771-S1821 PolarHBondContact ND2-OG 3.31Å; V1817-S1821 WeakPolarHBondContact O-CB 3.37Å; V1817-S1821 PolarHBondContact O-N 2.8Å; V1817-S1821 PolarHBondContact O-OG 2.87Å; I1818-S1821 PolarHBondContact O-N 2.88Å; S1821-L1823 PolarHBondContact O-N 2.85Å; S1821-L1824 WeakPolarHBondContact O-CB 3.45Å; S1821-L1824 PolarHBondContact O-N 3.5Å |
| 1822 | L | 83.6 | Confident | 84.1 | Confident | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.7 | -23.5 | -178.8 | -75.4 | 169.9 | 0 | 0 | 0 | 113.4 | I1818 L1819 L1824 K1825 | I1818-L1822 HydrophobicContact CG2-CD1 3.97Å; I1818-L1822 HydrophobicContact CG2-CG 4.49Å; I1818-L1822 WeakPolarHBondContact O-CG 3.41Å; I1818-L1822 PolarHBondContact O-N 3Å; L1819-L1822 PolarHBondContact O-N 2.83Å; L1822-L1824 PolarHBondContact O-N 3.01Å; L1822-K1825 WeakPolarHBondContact O-CB 3.44Å; L1822-K1825 PolarHBondContact O-N 3.3Å |
| 1823 | L | 86.2 | Confident | 84.1 | Confident | 73 Ų | 73 | 58.3 Ų | 58.3 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -61.7 | -10.3 | 170.9 | -67.8 | 178.6 | 0 | 0 | 0 | 114.2 | L1819 L1820 S1821 K1825 R1826 | L1819-L1823 PolarHBondContact O-N 3.43Å; L1820-L1823 HydrophobicContact CD1-CD1 4.16Å; S1821-L1823 PolarHBondContact O-N 2.85Å; L1823-K1825 VanDerWaalsContact C-N 3.29Å; L1823-R1826 PolarHBondContact O-N 3.26Å |
| 1824 | L | 86.5 | Confident | 84.1 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -68.8 | -24 | 167.2 | -74.9 | 160.5 | 0 | 0 | 0 | 112.8 | A1068 V1071 T1764 R1767 S1821 L1822 R1826 W1827 | A1068-L1824 HydrophobicContact CB-CD1 4.13Å; A1068-L1824 WeakPolarHBondContact O-CD1 3.39Å; V1071-L1824 HydrophobicContact CB-CB 4.41Å; V1071-L1824 HydrophobicContact CG1-CB 3.65Å; T1764-L1824 HydrophobicContact CG2-CD1 4.4Å; R1767-L1824 HydrophobicContact CB-CD1 4.25Å; R1767-L1824 HydrophobicContact CG-CD1 4.26Å; R1767-L1824 HydrophobicContact CG-CD2 4Å; R1767-L1824 HydrophobicContact CG-CG 4Å; S1821-L1824 WeakPolarHBondContact O-CB 3.45Å; S1821-L1824 PolarHBondContact O-N 3.5Å; L1822-L1824 PolarHBondContact O-N 3.01Å; L1824-R1826 PolarHBondContact O-N 2.68Å; L1824-R1826 VanDerWaalsContact O-N 3.14Å; L1824-W1827 VanDerWaalsContact O-CB 3.27Å; L1824-W1827 WeakPolarHBondContact O-CB 3.42Å; L1824-W1827 PolarHBondContact O-N 2.98Å |
| 1825 | K | 83.4 | Confident | 84.4 | Confident | 101 Ų | 101 | 61.8 Ų | 61.8 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -65.2 | -11.4 | 171.9 | -67.6 | -156.8 | 174.7 | -163.4 | 0 | 113.8 | K845 V1071 T1075 L1822 L1823 | K845-K1825 PolarHBondContact O-NZ 3.03Å; V1071-K1825 HydrophobicContact CG1-CG 3.74Å; T1075-K1825 HydrophobicContact CG2-CG 4.23Å; L1822-K1825 WeakPolarHBondContact O-CB 3.44Å; L1822-K1825 PolarHBondContact O-N 3.3Å; L1823-K1825 VanDerWaalsContact C-N 3.29Å |
| 1826 | R | 86.3 | Confident | 84.6 | Confident | 214 Ų | 214 | 61.6 Ų | 61.6 | 81% | 0.808 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -94.5 | 14.1 | 171.4 | -57 | -175.6 | 75.7 | 172.3 | 4.8 | 113.1 | L1823 L1824 | L1823-R1826 PolarHBondContact O-N 3.26Å; L1824-R1826 PolarHBondContact O-N 2.68Å; L1824-R1826 VanDerWaalsContact O-N 3.14Å |
| 1827 | W | 91.3 | Very high | 84.5 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | trans | -74.8 | 142.6 | 170.6 | -177.6 | 80.2 | 0 | 0 | 0 | 110.9 | A1079 I1081 D1759 L1760 K1763 L1824 K1829 | A1079-W1827 HydrophobicContact CB-CZ3 3.94Å; I1081-W1827 HydrophobicContact CD1-CH2 4.24Å; D1759-W1827 PolarHBondContact OD2-NE1 3.41Å; L1760-W1827 HydrophobicContact CB-CH2 4.28Å; L1760-W1827 HydrophobicContact CB-CZ2 3.86Å; L1760-W1827 HydrophobicContact CD1-CD2 4.01Å; L1760-W1827 HydrophobicContact CD1-CE3 4.24Å; L1760-W1827 HydrophobicContact CD1-CG 4.27Å; K1763-W1827 VanDerWaalsContact CD-CD1 3.43Å; L1824-W1827 VanDerWaalsContact O-CB 3.27Å; L1824-W1827 WeakPolarHBondContact O-CB 3.42Å; L1824-W1827 PolarHBondContact O-N 2.98Å; W1827-K1829 HydrophobicContact CH2-CB 4.14Å; W1827-K1829 HydrophobicContact CZ3-CB 4.43Å | ||
| 1828 | Q | 85.8 | Confident | 84.3 | Confident | 167 Ų | 167 | 65.4 Ų | 65.4 | 78% | 0.78 | 35% | 0.346 | S | S | * | . | trans | -129.3 | 144.9 | 171.8 | -72 | 178.2 | -26.2 | 0 | 0 | 109.1 | ||||
| 1829 | K | 86.2 | Confident | 84.1 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 24% | 0.239 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 135.6 | 175.5 | 175.2 | 176.5 | 171.8 | 169.4 | 0 | 110.5 | D1753 W1827 T1831 | D1753-K1829 WeakPolarHBondContact OD1-CE 3.36Å; D1753-K1829 IonicContact OD1-NZ 3.06Å; D1753-K1829 PolarHBondContact OD1-NZ 2.98Å; D1753-K1829 IonicContact OD2-NZ 3.44Å; D1753-K1829 PolarHBondContact OD2-NZ 3.47Å; W1827-K1829 HydrophobicContact CH2-CB 4.14Å; W1827-K1829 HydrophobicContact CZ3-CB 4.43Å; K1829-T1831 PolarHBondContact O-N 2.98Å |
| 1830 | P | 84.8 | Confident | 84 | Confident | 17 Ų | 17 | 65.9 Ų | 65.9 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -64 | 132.1 | 175.6 | 26.5 | -34.1 | 0 | 0 | 0 | 111.3 | I1752 L1835 | I1752-P1830 VanDerWaalsContact CG2-O 3.31Å; I1752-P1830 WeakPolarHBondContact CG2-O 3.43Å; P1830-L1835 HydrophobicContact CB-CD2 4.15Å; P1830-L1835 HydrophobicContact CB-CG 4.46Å |
| 1831 | T | 84.1 | Confident | 83.7 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 158.7 | 176.8 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | K1829 A1833 S1834 L1835 | K1829-T1831 PolarHBondContact O-N 2.98Å; T1831-A1833 VanDerWaalsContact C-N 3.29Å; T1831-A1833 PolarHBondContact O-N 2.69Å; T1831-S1834 PolarHBondContact N-OG 3.37Å; T1831-S1834 VanDerWaalsContact N-OG 3.12Å; T1831-S1834 WeakPolarHBondContact O-CB 3.42Å; T1831-S1834 PolarHBondContact O-N 2.88Å; T1831-S1834 PolarHBondContact O-OG 3.21Å; T1831-L1835 PolarHBondContact O-N 3.39Å |
| 1832 | P | 80.5 | Confident | 83.4 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -51.8 | -44.5 | 176.6 | -28.6 | 35.6 | 0 | 0 | 0 | 113.5 | L1457 I1752 S1834 L1835 | L1457-P1832 HydrophobicContact CD2-CB 4.06Å; I1752-P1832 HydrophobicContact CD1-CG 3.82Å; P1832-S1834 VanDerWaalsContact C-N 3.25Å; P1832-S1834 PolarHBondContact O-N 3.13Å; P1832-L1835 WeakPolarHBondContact O-CB 3.45Å; P1832-L1835 PolarHBondContact O-N 3.01Å |
| 1833 | A | 79.6 | Confident | 83.1 | Confident | 73 Ų | 73 | 73.3 Ų | 73.3 | 60% | 0.603 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.7 | -34.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1831 L1835 | T1831-A1833 VanDerWaalsContact C-N 3.29Å; T1831-A1833 PolarHBondContact O-N 2.69Å; A1833-L1835 VanDerWaalsContact C-N 3.26Å; A1833-L1835 PolarHBondContact O-N 2.9Å |
| 1834 | S | 82.9 | Confident | 82.7 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73 | -15.3 | 176.9 | 77.7 | 0 | 0 | 0 | 0 | 114.1 | T1831 P1832 | T1831-S1834 PolarHBondContact N-OG 3.37Å; T1831-S1834 VanDerWaalsContact N-OG 3.12Å; T1831-S1834 WeakPolarHBondContact O-CB 3.42Å; T1831-S1834 PolarHBondContact O-N 2.88Å; T1831-S1834 PolarHBondContact O-OG 3.21Å; P1832-S1834 VanDerWaalsContact C-N 3.25Å; P1832-S1834 PolarHBondContact O-N 3.13Å |
| 1835 | L | 83.8 | Confident | 82.1 | Confident | 6 Ų | 6 | 76.9 Ų | 76.9 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -96.2 | -7 | -176.7 | -62.8 | 174.9 | 0 | 0 | 0 | 113.4 | L1457 I1458 A1461 I1752 V1755 P1830 T1831 P1832 A1833 C1837 | L1457-L1835 HydrophobicContact CD1-CB 4.25Å; L1457-L1835 HydrophobicContact CD2-CB 4.45Å; L1457-L1835 HydrophobicContact CG-CB 4.29Å; I1458-L1835 HydrophobicContact CD1-CD1 3.77Å; A1461-L1835 HydrophobicContact CB-CB 4.29Å; A1461-L1835 HydrophobicContact CB-CD2 4.34Å; I1752-L1835 HydrophobicContact CG2-CD1 4.5Å; V1755-L1835 HydrophobicContact CG1-CD1 4.37Å; V1755-L1835 HydrophobicContact CG1-CD2 3.68Å; P1830-L1835 HydrophobicContact CB-CD2 4.15Å; P1830-L1835 HydrophobicContact CB-CG 4.46Å; T1831-L1835 PolarHBondContact O-N 3.39Å; P1832-L1835 WeakPolarHBondContact O-CB 3.45Å; P1832-L1835 PolarHBondContact O-N 3.01Å; A1833-L1835 VanDerWaalsContact C-N 3.26Å; A1833-L1835 PolarHBondContact O-N 2.9Å; L1835-C1837 PolarHBondContact O-N 2.62Å; L1835-C1837 PolarHBondContact O-SG 3.45Å |
| 1836 | I | 83.8 | Confident | 81.5 | Confident | 76 Ų | 76 | 74.8 Ų | 74.8 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | trans | -65.3 | 99.9 | 179.3 | -61.1 | 174.9 | 0 | 0 | 0 | 110.2 | L1457 Y1840 V1841 | L1457-I1836 HydrophobicContact CD1-CG1 4.16Å; I1836-Y1840 HydrophobicContact CG2-CD1 4.36Å; I1836-V1841 HydrophobicContact CG2-CG2 4.11Å | ||
| 1837 | C | 85.1 | Confident | 80.4 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | trans | -99.6 | 156.7 | -179.9 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | H1464 L1835 E1839 Y1840 V1841 | H1464-C1837 HydrophobicContact CB-CB 4.05Å; H1464-C1837 PolarHBondContact ND1-SG 2.99Å; L1835-C1837 PolarHBondContact O-N 2.62Å; L1835-C1837 PolarHBondContact O-SG 3.45Å; C1837-E1839 PolarHBondContact O-N 3.42Å; C1837-E1839 VanDerWaalsContact O-N 3.13Å; C1837-Y1840 WeakPolarHBondContact O-CB 3.33Å; C1837-Y1840 PolarHBondContact O-N 2.92Å; C1837-V1841 PolarHBondContact O-N 3.5Å | ||
| 1838 | P | 79.3 | Confident | 78.8 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -57.9 | -28.8 | 176.2 | -24.4 | 34.6 | 0 | 0 | 0 | 113.6 | K1842 | P1838-K1842 WeakPolarHBondContact O-CB 3.45Å; P1838-K1842 PolarHBondContact O-N 3.25Å |
| 1839 | E | 76.4 | Confident | 76.7 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 40% | 0.397 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.8 | -35.7 | 175.9 | -167.3 | 159.7 | -152.2 | 0 | 0 | 112.4 | H1464 C1837 F1843 | H1464-E1839 WeakPolarHBondContact CA-OE2 3.35Å; H1464-E1839 PolarHBondContact N-OE2 3.34Å; C1837-E1839 PolarHBondContact O-N 3.42Å; C1837-E1839 VanDerWaalsContact O-N 3.13Å; E1839-F1843 PolarHBondContact O-N 2.96Å |
| 1840 | Y | 82.4 | Confident | 74.8 | Confident | 41 Ų | 41 | 72 Ų | 72 | 16% | 0.161 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.8 | -46.7 | 173.8 | 176.4 | -113 | 0 | 0 | 0 | 111.8 | L1457 A1460 I1836 C1837 K1842 F1843 L1844 | L1457-Y1840 HydrophobicContact CB-CD2 4.27Å; L1457-Y1840 HydrophobicContact CB-CE2 3.89Å; L1457-Y1840 HydrophobicContact CD1-CD1 3.73Å; L1457-Y1840 HydrophobicContact CD1-CD2 4.23Å; L1457-Y1840 HydrophobicContact CD1-CE1 3.85Å; L1457-Y1840 HydrophobicContact CD1-CE2 4.35Å; L1457-Y1840 HydrophobicContact CD1-CG 3.91Å; A1460-Y1840 HydrophobicContact CB-CD2 4.09Å; A1460-Y1840 HydrophobicContact CB-CG 4.36Å; I1836-Y1840 HydrophobicContact CG2-CD1 4.36Å; C1837-Y1840 WeakPolarHBondContact O-CB 3.33Å; C1837-Y1840 PolarHBondContact O-N 2.92Å; Y1840-K1842 PolarHBondContact O-N 3.22Å; Y1840-F1843 WeakPolarHBondContact O-CB 3.09Å; Y1840-F1843 PolarHBondContact O-N 3Å; Y1840-L1844 HydrophobicContact CD1-CD1 4.11Å; Y1840-L1844 HydrophobicContact CE1-CD1 3.54Å; Y1840-L1844 HydrophobicContact CE1-CG 4.2Å; Y1840-L1844 HydrophobicContact CE2-CD1 4.32Å; Y1840-L1844 HydrophobicContact CE2-CD2 4.2Å; Y1840-L1844 HydrophobicContact CE2-CG 4.12Å; Y1840-L1844 PolarHBondContact O-N 2.95Å |
| 1841 | V | 80.9 | Confident | 72.8 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 36% | 0.358 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.6 | -39.5 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | I1836 C1837 N1845 | I1836-V1841 HydrophobicContact CG2-CG2 4.11Å; C1837-V1841 PolarHBondContact O-N 3.5Å; V1841-N1845 WeakPolarHBondContact O-CB 3.41Å; V1841-N1845 VanDerWaalsContact O-CG 3.25Å; V1841-N1845 PolarHBondContact O-N 3.07Å |
| 1842 | K | 79.5 | Confident | 70.5 | Confident | 157 Ų | 157 | 79 Ų | 79 | 68% | 0.683 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.1 | -39.9 | 174.8 | -172.4 | 173.8 | -177 | 174.1 | 0 | 112.8 | P1838 Y1840 N1845 S1846 | P1838-K1842 WeakPolarHBondContact O-CB 3.45Å; P1838-K1842 PolarHBondContact O-N 3.25Å; Y1840-K1842 PolarHBondContact O-N 3.22Å; K1842-N1845 PolarHBondContact O-N 3.46Å; K1842-S1846 PolarHBondContact O-N 2.92Å; K1842-S1846 PolarHBondContact O-OG 3.25Å; K1842-S1846 VanDerWaalsContact O-OG 3.1Å |
| 1843 | F | 77.3 | Confident | 68.3 | Low | 44 Ų | 44 | 81.8 Ų | 81.8 | 19% | 0.193 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 176.3 | 178.7 | -107.2 | 0 | 0 | 0 | 112.1 | D1456 Q1486 E1839 Y1840 N1845 S1846 R1847 | D1456-F1843 HydrophobicContact CB-CD1 4.43Å; D1456-F1843 HydrophobicContact CB-CE1 3.92Å; Q1486-F1843 WeakPolarHBondContact O-CZ 3.39Å; E1839-F1843 PolarHBondContact O-N 2.96Å; Y1840-F1843 WeakPolarHBondContact O-CB 3.09Å; Y1840-F1843 PolarHBondContact O-N 3Å; F1843-N1845 VanDerWaalsContact C-N 3.31Å; F1843-N1845 PolarHBondContact O-N 3.42Å; F1843-S1846 WeakPolarHBondContact CA-OG 3.48Å; F1843-S1846 PolarHBondContact O-N 2.9Å; F1843-S1846 PolarHBondContact O-OG 3.11Å; F1843-R1847 PolarHBondContact O-N 3.33Å |
| 1844 | L | 77.5 | Confident | 66.2 | Low | 60 Ų | 60 | 87.1 Ų | 87.1 | 31% | 0.314 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.3 | -43.1 | 173.4 | -69.9 | -179.8 | 0 | 0 | 0 | 112.2 | Y1840 R1847 S1848 | Y1840-L1844 HydrophobicContact CD1-CD1 4.11Å; Y1840-L1844 HydrophobicContact CE1-CD1 3.54Å; Y1840-L1844 HydrophobicContact CE1-CG 4.2Å; Y1840-L1844 HydrophobicContact CE2-CD1 4.32Å; Y1840-L1844 HydrophobicContact CE2-CD2 4.2Å; Y1840-L1844 HydrophobicContact CE2-CG 4.12Å; Y1840-L1844 PolarHBondContact O-N 2.95Å; L1844-R1847 PolarHBondContact O-N 2.97Å; L1844-S1848 PolarHBondContact O-N 2.7Å; L1844-S1848 PolarHBondContact O-OG 3.23Å |
| 1845 | N | 73.7 | Confident | 63.5 | Low | 93 Ų | 93 | 87.8 Ų | 87.8 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 177.1 | -75.9 | -5.9 | 0 | 0 | 0 | 111.6 | V1841 K1842 F1843 S1848 Y1849 | V1841-N1845 WeakPolarHBondContact O-CB 3.41Å; V1841-N1845 VanDerWaalsContact O-CG 3.25Å; V1841-N1845 PolarHBondContact O-N 3.07Å; K1842-N1845 PolarHBondContact O-N 3.46Å; F1843-N1845 VanDerWaalsContact C-N 3.31Å; F1843-N1845 PolarHBondContact O-N 3.42Å; N1845-S1848 PolarHBondContact O-N 2.86Å; N1845-Y1849 WeakPolarHBondContact O-CD2 3.4Å; N1845-Y1849 PolarHBondContact O-N 3.37Å |
| 1846 | S | 70.2 | Confident | 60.8 | Low | 58 Ų | 58 | 91 Ų | 91 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 173.4 | 32.7 | 0 | 0 | 0 | 0 | 112.9 | K1842 F1843 S1848 Y1849 D1850 | K1842-S1846 PolarHBondContact O-N 2.92Å; K1842-S1846 PolarHBondContact O-OG 3.25Å; K1842-S1846 VanDerWaalsContact O-OG 3.1Å; F1843-S1846 WeakPolarHBondContact CA-OG 3.48Å; F1843-S1846 PolarHBondContact O-N 2.9Å; F1843-S1846 PolarHBondContact O-OG 3.11Å; S1846-S1848 PolarHBondContact O-N 3.21Å; S1846-Y1849 PolarHBondContact O-N 2.69Å; S1846-D1850 PolarHBondContact O-N 2.88Å |
| 1847 | R | 63.9 | Low | 57.9 | Low | 97 Ų | 97 | 94.1 Ų | 94.1 | 37% | 0.366 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.6 | -33.9 | 179.2 | -163.8 | 174.3 | -171.9 | 165.5 | 6.2 | 112.2 | D1456 Q1486 F1843 L1844 T1851 | D1456-R1847 IonicContact OD2-NH1 2.74Å; D1456-R1847 PolarHBondContact OD2-NH1 3.43Å; Q1486-R1847 PolarHBondContact O-NH1 3.44Å; Q1486-R1847 VanDerWaalsContact O-NH1 3.09Å; F1843-R1847 PolarHBondContact O-N 3.33Å; L1844-R1847 PolarHBondContact O-N 2.97Å; R1847-T1851 PolarHBondContact O-N 2.9Å; R1847-T1851 PolarHBondContact O-OG1 3.05Å |
| 1848 | S | 56.5 | Low | 55 | Low | 66 Ų | 66 | 103.7 Ų | 103.7 | 46% | 0.462 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.3 | -15.5 | 178.3 | -56.5 | 0 | 0 | 0 | 0 | 114.8 | L1844 N1845 S1846 T1851 | L1844-S1848 PolarHBondContact O-N 2.7Å; L1844-S1848 PolarHBondContact O-OG 3.23Å; N1845-S1848 PolarHBondContact O-N 2.86Å; S1846-S1848 PolarHBondContact O-N 3.21Å; S1848-T1851 PolarHBondContact O-OG1 3.01Å |
| 1849 | Y | 43 | Very low | 52.4 | Low | 138 Ų | 138 | 110 Ų | 110 | 54% | 0.541 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -85.4 | -40.5 | 170.2 | -90.2 | -92.9 | 0 | 0 | 0 | 111.5 | N1845 S1846 T1851 K1852 N1853 H1868 | N1845-Y1849 WeakPolarHBondContact O-CD2 3.4Å; N1845-Y1849 PolarHBondContact O-N 3.37Å; S1846-Y1849 PolarHBondContact O-N 2.69Å; Y1849-T1851 VanDerWaalsContact C-N 3.35Å; Y1849-T1851 PolarHBondContact O-N 2.97Å; Y1849-K1852 PolarHBondContact O-N 3.37Å; Y1849-N1853 PolarHBondContact O-N 3.41Å; Y1849-N1853 VanDerWaalsContact O-N 3.14Å; Y1849-H1868 PolarHBondContact OH-NE2 2.83Å |
| 1850 | D | 45.5 | Very low | 49.9 | Very low | 106 Ų | 106 | 113 Ų | 113 | 57% | 0.567 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.4 | -31.7 | -179.3 | -77.1 | -29.6 | 0 | 0 | 0 | 113.3 | S1846 | S1846-D1850 PolarHBondContact O-N 2.88Å |
| 1851 | T | 43.1 | Very low | 47.1 | Very low | 89 Ų | 89 | 116.9 Ų | 116.9 | 55% | 0.546 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.9 | -43 | 173.4 | 47.8 | 0 | 0 | 0 | 0 | 112.2 | R1847 S1848 Y1849 N1853 K1854 | R1847-T1851 PolarHBondContact O-N 2.9Å; R1847-T1851 PolarHBondContact O-OG1 3.05Å; S1848-T1851 PolarHBondContact O-OG1 3.01Å; Y1849-T1851 VanDerWaalsContact C-N 3.35Å; Y1849-T1851 PolarHBondContact O-N 2.97Å; T1851-N1853 VanDerWaalsContact C-N 3.35Å; T1851-N1853 PolarHBondContact O-N 3.4Å; T1851-K1854 PolarHBondContact O-N 3.41Å |
| 1852 | K | 35.4 | Very low | 44.5 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.8 | -34 | 177.5 | -72.5 | -172 | 174.9 | -172 | 0 | 113.2 | Y1849 K1854 S1855 | Y1849-K1852 PolarHBondContact O-N 3.37Å; K1852-K1854 VanDerWaalsContact C-N 3.29Å; K1852-K1854 PolarHBondContact O-N 3.02Å; K1852-S1855 PolarHBondContact O-N 3.25Å; K1852-S1855 PolarHBondContact O-OG 3.14Å |
| 1853 | N | 34.5 | Very low | 42 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 66% | 0.663 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.8 | -14.6 | 179.7 | -78.9 | -24.3 | 0 | 0 | 0 | 114.3 | Y1849 T1851 | Y1849-N1853 PolarHBondContact O-N 3.41Å; Y1849-N1853 VanDerWaalsContact O-N 3.14Å; T1851-N1853 VanDerWaalsContact C-N 3.35Å; T1851-N1853 PolarHBondContact O-N 3.4Å |
| 1854 | K | 34.8 | Very low | 39.5 | Very low | 185 Ų | 185 | 125.8 Ų | 125.8 | 80% | 0.804 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -9.7 | 177.3 | -74.7 | -175.9 | 175.3 | -176.4 | 0 | 114.1 | T1851 K1852 | T1851-K1854 PolarHBondContact O-N 3.41Å; K1852-K1854 VanDerWaalsContact C-N 3.29Å; K1852-K1854 PolarHBondContact O-N 3.02Å |
| 1855 | S | 26.2 | Very low | 37.1 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -110.7 | 88.3 | -180 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | K1852 | K1852-S1855 PolarHBondContact O-N 3.25Å; K1852-S1855 PolarHBondContact O-OG 3.14Å |
| 1856 | G | 27.3 | Very low | 35 | Very low | 75 Ų | 75 | 125.4 Ų | 125.4 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | 69.5 | 99.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | R1858 | G1856-R1858 PolarHBondContact O-N 2.96Š| ||
| 1857 | Q | 24 | Very low | 33.1 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 65% | 0.654 | 68% | 0.678 | S | S | * | * | trans | -79 | 99.8 | 164 | -75.5 | -173 | -10.7 | 0 | 0 | 111.8 | F1652 | F1652-Q1857 HydrophobicContact CE1-CG 4.43Š| ||
| 1858 | R | 23.9 | Very low | 31.6 | Very low | 219 Ų | 219 | 128.4 Ų | 128.4 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | trans | 173.9 | 119.7 | 138.7 | -100 | 163 | 178.9 | -174.7 | 1.6 | 112.6 | G1856 | G1856-R1858 PolarHBondContact O-N 2.96Š| ||
| 1859 | R | 23.9 | Very low | 30.4 | Very low | 229 Ų | 229 | 127.9 Ų | 127.9 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | trans | 67.6 | 144.8 | 176.4 | -59.4 | 178.5 | -77.1 | -165.3 | -1.3 | 112.8 | ||||
| 1860 | D | 24.6 | Very low | 29.9 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | cis | -118.3 | 150.8 | 13.3 | -71.7 | -61.9 | 0 | 0 | 0 | 115.5 | Q1862 | D1860-Q1862 PolarHBondContact O-N 3.15Š| ||
| 1861 | S | 24.3 | Very low | 29.6 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | trans | -95.8 | 68.2 | 174.7 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1862 | Q | 25.7 | Very low | 29.3 | Very low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -151.5 | -12.8 | 172.5 | -117.1 | 166.5 | 24.4 | 0 | 0 | 117.4 | D1860 | D1860-Q1862 PolarHBondContact O-N 3.15Š|
| 1863 | L | 26.6 | Very low | 29.3 | Very low | 172 Ų | 172 | 125 Ų | 125 | 90% | 0.901 | 68% | 0.675 | S | S | * | * | trans | -107.8 | 39.3 | -171.6 | -153 | 76.5 | 0 | 0 | 0 | 115.1 | ||||
| 1864 | S | 25.8 | Very low | 29.6 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | trans | -109.8 | -9.3 | -174.1 | 60.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1865 | S | 26.8 | Very low | 29.8 | Very low | 98 Ų | 98 | 119.4 Ų | 119.4 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -88.6 | -29.9 | -172.5 | 52.5 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1866 | G | 28.8 | Very low | 30.4 | Very low | 46 Ų | 46 | 118 Ų | 118 | 47% | 0.474 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -75.1 | -40.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1869 | G1866-S1869 PolarHBondContact O-N 2.96Å |
| 1867 | V | 31.6 | Very low | 30.9 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 66% | 0.655 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -72.8 | -41.8 | -165 | -177.4 | 0 | 0 | 0 | 0 | 112.9 | S1869 L1870 T1871 | V1867-S1869 VanDerWaalsContact C-N 3.26Å; V1867-S1869 PolarHBondContact O-N 3.23Å; V1867-L1870 PolarHBondContact O-N 2.92Å; V1867-T1871 PolarHBondContact O-OG1 3.36Å |
| 1868 | H | 30.6 | Very low | 31.6 | Very low | 111 Ų | 111 | 120 Ų | 120 | 51% | 0.514 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.3 | -34.2 | 177.5 | -76.6 | -74 | 0 | 0 | 0 | 112.3 | Y1849 L1870 T1871 D1872 | Y1849-H1868 PolarHBondContact OH-NE2 2.83Å; H1868-L1870 VanDerWaalsContact C-N 3.25Å; H1868-L1870 PolarHBondContact O-N 3.32Å; H1868-T1871 WeakPolarHBondContact CA-OG1 3.29Å; H1868-T1871 PolarHBondContact O-N 2.98Å; H1868-T1871 PolarHBondContact O-OG1 3.43Å; H1868-D1872 PolarHBondContact O-N 3.45Å |
| 1869 | S | 32.2 | Very low | 32.4 | Very low | 54 Ų | 54 | 113.4 Ų | 113.4 | 38% | 0.378 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.6 | -27.1 | 178.5 | -178.9 | 0 | 0 | 0 | 0 | 113.6 | G1866 V1867 K1873 | G1866-S1869 PolarHBondContact O-N 2.96Å; V1867-S1869 VanDerWaalsContact C-N 3.26Å; V1867-S1869 PolarHBondContact O-N 3.23Å; S1869-K1873 WeakPolarHBondContact O-CB 3.47Å; S1869-K1873 WeakPolarHBondContact O-CD 3.41Å; S1869-K1873 VanDerWaalsContact O-CG 3.24Å; S1869-K1873 WeakPolarHBondContact O-CG 3.3Å |
| 1870 | L | 33.1 | Very low | 33.2 | Very low | 121 Ų | 121 | 107.3 Ų | 107.3 | 63% | 0.634 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.3 | -43.3 | 176 | -107.7 | 73 | 0 | 0 | 0 | 111.6 | V1867 H1868 D1872 K1873 V1874 | V1867-L1870 PolarHBondContact O-N 2.92Å; H1868-L1870 VanDerWaalsContact C-N 3.25Å; H1868-L1870 PolarHBondContact O-N 3.32Å; L1870-D1872 PolarHBondContact O-N 3.26Å; L1870-K1873 PolarHBondContact O-N 3Å; L1870-V1874 WeakPolarHBondContact O-CG2 3.31Å; L1870-V1874 PolarHBondContact O-N 2.97Å |
| 1871 | T | 38.4 | Very low | 33.7 | Very low | 68 Ų | 68 | 104.9 Ų | 104.9 | 42% | 0.417 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.3 | -41.8 | -178.4 | 35.5 | 0 | 0 | 0 | 0 | 113 | V1867 H1868 V1874 L1875 | V1867-T1871 PolarHBondContact O-OG1 3.36Å; H1868-T1871 WeakPolarHBondContact CA-OG1 3.29Å; H1868-T1871 PolarHBondContact O-N 2.98Å; H1868-T1871 PolarHBondContact O-OG1 3.43Å; T1871-V1874 PolarHBondContact O-N 2.92Å; T1871-L1875 PolarHBondContact O-N 3.48Å |
| 1872 | D | 36.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 106.4 Ų | 106.4 | 57% | 0.567 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.6 | -34.8 | 177.3 | -73.6 | -20.1 | 0 | 0 | 0 | 111.8 | H1868 L1870 L1875 S1876 | H1868-D1872 PolarHBondContact O-N 3.45Å; L1870-D1872 PolarHBondContact O-N 3.26Å; D1872-L1875 PolarHBondContact O-N 2.98Å; D1872-S1876 WeakPolarHBondContact O-CB 3.31Å; D1872-S1876 PolarHBondContact O-N 2.9Å; D1872-S1876 PolarHBondContact O-OG 2.98Å |
| 1873 | K | 36.9 | Very low | 34.5 | Very low | 134 Ų | 134 | 101.9 Ų | 101.9 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62 | -48.2 | 171.5 | -79.1 | 176.8 | -179 | 175.9 | 0 | 111.5 | S1869 L1870 L1875 S1876 L1877 | S1869-K1873 WeakPolarHBondContact O-CB 3.47Å; S1869-K1873 WeakPolarHBondContact O-CD 3.41Å; S1869-K1873 VanDerWaalsContact O-CG 3.24Å; S1869-K1873 WeakPolarHBondContact O-CG 3.3Å; L1870-K1873 PolarHBondContact O-N 3Å; K1873-L1875 VanDerWaalsContact C-N 3.34Å; K1873-L1875 PolarHBondContact O-N 3.22Å; K1873-S1876 PolarHBondContact O-N 3.45Å; K1873-S1876 PolarHBondContact O-OG 3.13Å; K1873-L1877 WeakPolarHBondContact O-CB 3.34Å; K1873-L1877 PolarHBondContact O-N 3.13Å |
| 1874 | V | 39.6 | Very low | 34.9 | Very low | 98 Ų | 98 | 98.4 Ų | 98.4 | 59% | 0.594 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.5 | -39 | 178.1 | 171 | 0 | 0 | 0 | 0 | 112 | L1870 T1871 R1878 | L1870-V1874 WeakPolarHBondContact O-CG2 3.31Å; L1870-V1874 PolarHBondContact O-N 2.97Å; T1871-V1874 PolarHBondContact O-N 2.92Å; V1874-R1878 WeakPolarHBondContact O-CB 3.46Å; V1874-R1878 PolarHBondContact O-N 3.16Å |
| 1875 | L | 40 | Very low | 35.2 | Very low | 93 Ų | 93 | 100 Ų | 100 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 173.4 | -84.2 | 159.6 | 0 | 0 | 0 | 112.1 | T1871 D1872 K1873 L1877 R1878 D1879 | T1871-L1875 PolarHBondContact O-N 3.48Å; D1872-L1875 PolarHBondContact O-N 2.98Å; K1873-L1875 VanDerWaalsContact C-N 3.34Å; K1873-L1875 PolarHBondContact O-N 3.22Å; L1875-L1877 VanDerWaalsContact C-N 3.35Å; L1875-L1877 PolarHBondContact O-N 3.42Å; L1875-R1878 PolarHBondContact O-N 3.35Å; L1875-D1879 PolarHBondContact O-N 2.78Å |
| 1876 | S | 38.6 | Very low | 35.5 | Very low | 58 Ų | 58 | 100.5 Ų | 100.5 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 177 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | D1872 K1873 N1880 | D1872-S1876 WeakPolarHBondContact O-CB 3.31Å; D1872-S1876 PolarHBondContact O-N 2.9Å; D1872-S1876 PolarHBondContact O-OG 2.98Å; K1873-S1876 PolarHBondContact O-N 3.45Å; K1873-S1876 PolarHBondContact O-OG 3.13Å; S1876-N1880 VanDerWaalsContact O-CB 3.29Å; S1876-N1880 WeakPolarHBondContact O-CB 3.46Å; S1876-N1880 PolarHBondContact O-N 2.84Å; S1876-N1880 PolarHBondContact O-ND2 3.19Å |
| 1877 | L | 37.6 | Very low | 35.6 | Very low | 116 Ų | 116 | 108.9 Ų | 108.9 | 61% | 0.607 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.7 | -41.9 | 177 | -149 | 82.1 | 0 | 0 | 0 | 111 | K1873 L1875 L1881 | K1873-L1877 WeakPolarHBondContact O-CB 3.34Å; K1873-L1877 PolarHBondContact O-N 3.13Å; L1875-L1877 VanDerWaalsContact C-N 3.35Å; L1875-L1877 PolarHBondContact O-N 3.42Å; L1877-L1881 WeakPolarHBondContact O-CB 3.46Å; L1877-L1881 WeakPolarHBondContact O-CG 3.21Å; L1877-L1881 PolarHBondContact O-N 3.33Å |
| 1878 | R | 39.4 | Very low | 35.3 | Very low | 141 Ų | 141 | 111.6 Ų | 111.6 | 53% | 0.532 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.5 | -44.6 | 178.6 | -178.8 | 177.2 | 174.7 | 103.9 | -8 | 112.3 | V1874 L1875 R1882 | V1874-R1878 WeakPolarHBondContact O-CB 3.46Å; V1874-R1878 PolarHBondContact O-N 3.16Å; L1875-R1878 PolarHBondContact O-N 3.35Å; R1878-R1882 WeakPolarHBondContact O-CB 3.47Å; R1878-R1882 PolarHBondContact O-N 2.95Å |
| 1879 | D | 39.6 | Very low | 35.1 | Very low | 82 Ų | 82 | 115.1 Ų | 115.1 | 44% | 0.439 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -76.4 | -30.2 | 179 | -78.9 | -26.1 | 0 | 0 | 0 | 112.6 | L1875 R1882 T1883 | L1875-D1879 PolarHBondContact O-N 2.78Å; D1879-R1882 WeakPolarHBondContact O-CB 3.41Å; D1879-R1882 PolarHBondContact O-N 3.44Å; D1879-R1882 IonicContact OD1-NH1 2.93Å; D1879-T1883 PolarHBondContact O-N 3.4Å; D1879-T1883 PolarHBondContact O-OG1 3.46Å; D1879-T1883 VanDerWaalsContact O-OG1 3.13Å |
| 1880 | N | 40.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 54% | 0.535 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.1 | -50.8 | 168.7 | -76.3 | -16.7 | 0 | 0 | 0 | 111.7 | S1876 R1882 T1883 V1884 | S1876-N1880 VanDerWaalsContact O-CB 3.29Å; S1876-N1880 WeakPolarHBondContact O-CB 3.46Å; S1876-N1880 PolarHBondContact O-N 2.84Å; S1876-N1880 PolarHBondContact O-ND2 3.19Å; N1880-R1882 PolarHBondContact O-N 2.96Å; N1880-T1883 WeakPolarHBondContact CA-OG1 3.39Å; N1880-T1883 PolarHBondContact O-N 3.07Å; N1880-T1883 VanDerWaalsContact O-N 3.09Å; N1880-T1883 PolarHBondContact O-OG1 3.27Å; N1880-V1884 PolarHBondContact O-N 3.01Å |
| 1881 | L | 35.4 | Very low | 34.4 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -55.6 | -38.6 | 173 | -80.6 | 165.2 | 0 | 0 | 0 | 111.6 | L1877 V1884 L1885 | L1877-L1881 WeakPolarHBondContact O-CB 3.46Å; L1877-L1881 WeakPolarHBondContact O-CG 3.21Å; L1877-L1881 PolarHBondContact O-N 3.33Å; L1881-V1884 PolarHBondContact O-N 3.18Å; L1881-L1885 WeakPolarHBondContact O-CB 3.35Å; L1881-L1885 WeakPolarHBondContact O-CG 3.36Å; L1881-L1885 PolarHBondContact O-N 3.4Å |
| 1882 | R | 32.3 | Very low | 33.8 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 58% | 0.577 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.2 | -35.5 | 177.4 | -155.5 | 177.4 | -153.7 | 167.4 | 4.1 | 113.1 | R1878 D1879 N1880 T1886 | R1878-R1882 WeakPolarHBondContact O-CB 3.47Å; R1878-R1882 PolarHBondContact O-N 2.95Å; D1879-R1882 WeakPolarHBondContact O-CB 3.41Å; D1879-R1882 PolarHBondContact O-N 3.44Å; D1879-R1882 IonicContact OD1-NH1 2.93Å; N1880-R1882 PolarHBondContact O-N 2.96Å; R1882-T1886 WeakPolarHBondContact O-CB 3.43Å; R1882-T1886 WeakPolarHBondContact O-CG2 3.16Å; R1882-T1886 PolarHBondContact O-N 2.99Å; R1882-T1886 PolarHBondContact O-OG1 3.33Å |
| 1883 | T | 34.4 | Very low | 33.3 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 52% | 0.515 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -73.5 | -30.5 | 172.9 | 41.3 | 0 | 0 | 0 | 0 | 113.6 | D1879 N1880 T1886 | D1879-T1883 PolarHBondContact O-N 3.4Å; D1879-T1883 PolarHBondContact O-OG1 3.46Å; D1879-T1883 VanDerWaalsContact O-OG1 3.13Å; N1880-T1883 WeakPolarHBondContact CA-OG1 3.39Å; N1880-T1883 PolarHBondContact O-N 3.07Å; N1880-T1883 VanDerWaalsContact O-N 3.09Å; N1880-T1883 PolarHBondContact O-OG1 3.27Å; T1883-T1886 WeakPolarHBondContact CA-OG1 3.17Å; T1883-T1886 PolarHBondContact O-OG1 2.79Å |
| 1884 | V | 35 | Very low | 32.7 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 60% | 0.6 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.4 | -52.1 | 171.6 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | N1880 L1881 T1886 R1887 | N1880-V1884 PolarHBondContact O-N 3.01Å; L1881-V1884 PolarHBondContact O-N 3.18Å; V1884-T1886 PolarHBondContact O-N 3.25Å; V1884-T1886 VanDerWaalsContact O-N 3.13Å; V1884-R1887 PolarHBondContact O-N 3.29Å; V1884-R1887 VanDerWaalsContact O-N 3.07Å |
| 1885 | L | 31.8 | Very low | 32 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 69% | 0.686 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65 | -15.6 | -179.7 | -75.4 | 164.4 | 0 | 0 | 0 | 114.4 | L1881 | L1881-L1885 WeakPolarHBondContact O-CB 3.35Å; L1881-L1885 WeakPolarHBondContact O-CG 3.36Å; L1881-L1885 PolarHBondContact O-N 3.4Å |
| 1886 | T | 32.8 | Very low | 31.1 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 0.6 | 174.8 | 44.2 | 0 | 0 | 0 | 0 | 114.4 | R1882 T1883 V1884 | R1882-T1886 WeakPolarHBondContact O-CB 3.43Å; R1882-T1886 WeakPolarHBondContact O-CG2 3.16Å; R1882-T1886 PolarHBondContact O-N 2.99Å; R1882-T1886 PolarHBondContact O-OG1 3.33Å; T1883-T1886 WeakPolarHBondContact CA-OG1 3.17Å; T1883-T1886 PolarHBondContact O-OG1 2.79Å; V1884-T1886 PolarHBondContact O-N 3.25Å; V1884-T1886 VanDerWaalsContact O-N 3.13Å |
| 1887 | R | 30.7 | Very low | 30.3 | Very low | 221 Ų | 221 | 138.1 Ų | 138.1 | 83% | 0.834 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -24 | 174.1 | -79.9 | -178 | 166 | 161.9 | -4 | 114.9 | V1884 | V1884-R1887 PolarHBondContact O-N 3.29Å; V1884-R1887 VanDerWaalsContact O-N 3.07Å |
| 1888 | H | 26.3 | Very low | 29.7 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 76% | 0.764 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -108.2 | 79.2 | 175.8 | -80.7 | -88.9 | 0 | 0 | 0 | 112.8 | ||
| 1889 | H | 26.4 | Very low | 28.8 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | -158.9 | 61.2 | 152.3 | -101.5 | -52.2 | 0 | 0 | 0 | 112.5 | ||||
| 1890 | R | 23.3 | Very low | 28 | Very low | 239 Ų | 239 | 142.6 Ų | 142.6 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | trans | -116.2 | 109.8 | 146.3 | -81.6 | -170.1 | 179.8 | -172.6 | 2.5 | 107.6 | ||||
| 1891 | I | 26.9 | Very low | 27.4 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 172.5 | 128.3 | 153.2 | -93.2 | 152.8 | 0 | 0 | 0 | 105.6 | ||||
| 1892 | S | 25.4 | Very low | 27 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -94.5 | 159.6 | 164.8 | 49 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1893 | P | 27.5 | Very low | 26.6 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | -128.4 | 170 | 131.1 | 10.5 | 10.2 | 0 | 0 | 0 | 113.8 | ||||
| 1894 | I | 23.3 | Very low | 26.1 | Very low | 161 Ų | 161 | 149 Ų | 149 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -99.7 | 169.1 | 174.1 | -64.6 | 163.3 | 0 | 0 | 0 | 107.5 | ||||
| 1895 | H | 23.9 | Very low | 25.7 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -53.5 | 159.9 | 164.1 | -79 | -95.9 | 0 | 0 | 0 | 110.9 | ||||
| 1896 | T | 22.1 | Very low | 25.3 | Very low | 127 Ų | 127 | 150.8 Ų | 150.8 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | cis | -151 | 175.2 | 46.2 | 46 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1897 | N | 22.7 | Very low | 24.8 | Very low | 142 Ų | 142 | 152.2 Ų | 152.2 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -44.5 | 152.7 | 167.4 | -39.4 | -0.3 | 0 | 0 | 0 | 114.1 | ||||
| 1898 | I | 25 | Very low | 24.5 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | trans | -153.9 | 147.2 | 135.7 | -101.1 | 154.7 | 0 | 0 | 0 | 107.1 | ||||
| 1899 | E | 20.3 | Very low | 24.3 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -109 | 150.4 | 173.3 | -67.5 | 171.4 | 123.6 | 0 | 0 | 109.6 | ||||
| 1900 | A | 22.8 | Very low | 24.1 | Very low | 88 Ų | 88 | 147 Ų | 147 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 49.6 | 114.1 | 162 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1901 | V | 27.7 | Very low | 24.1 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -136.3 | 147.6 | 133.8 | 179.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 1902 | D | 25.9 | Very low | 23.9 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | -83 | 170.1 | -159.2 | -61.6 | -81.4 | 0 | 0 | 0 | 117.7 | ||||
| 1903 | N | 23.9 | Very low | 23.8 | Very low | 128 Ų | 128 | 142 Ų | 142 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | -65.3 | 147.6 | 163.6 | -58.6 | -60.7 | 0 | 0 | 0 | 111.3 | ||||
| 1904 | Q | 23.7 | Very low | 23.7 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | 174 | 157.9 | 100.6 | -99.6 | -172 | 4 | 0 | 0 | 115.3 | |||||
| 1905 | N | 26.8 | Very low | 23.7 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | trans | 86.3 | 114.1 | 151.5 | -64.8 | -24.3 | 0 | 0 | 0 | 122.1 | ||||
| 1906 | L | 24.2 | Very low | 23.7 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | 67 | 111.6 | 140.6 | -81.8 | 85.7 | 0 | 0 | 0 | 121.4 | ||||
| 1907 | L | 22 | Very low | 23.9 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 72% | 0.723 | 75% | 0.746 | S | S | * | * | 59.4 | 152.7 | 108 | -104.3 | 70.5 | 0 | 0 | 0 | 122.3 | |||||
| 1908 | D | 23.9 | Very low | 24 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | trans | 71.9 | 89.6 | 154.1 | -57.7 | -12.1 | 0 | 0 | 0 | 119.7 | ||||
| 1909 | T | 22.9 | Very low | 24 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | 38.7 | 128.9 | 125.1 | 50.4 | 0 | 0 | 0 | 0 | 121.5 | N1911 | T1909-N1911 PolarHBondContact O-N 3.32Š| |||
| 1910 | Y | 21.3 | Very low | 24.4 | Very low | 214 Ų | 214 | 136 Ų | 136 | 84% | 0.839 | 74% | 0.739 | S | S | * | * | 29.8 | 94 | 121 | -98.9 | -88 | 0 | 0 | 0 | 116.8 | |||||
| 1911 | N | 24 | Very low | 24.6 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | 174.7 | 147.1 | 106.3 | -84.3 | -24.3 | 0 | 0 | 0 | 110.5 | T1909 | T1909-N1911 PolarHBondContact O-N 3.32Š| |||
| 1912 | N | 23 | Very low | 24.4 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | trans | 55.1 | 142 | 140.8 | -68.3 | 49.4 | 0 | 0 | 0 | 120.2 | ||||
| 1913 | D | 23.4 | Very low | 24.6 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | cis | -155 | 157.6 | -1.9 | -92.6 | -36.1 | 0 | 0 | 0 | 109.2 | ||||
| 1914 | G | 24.5 | Very low | 24.6 | Very low | 62 Ų | 62 | 137.2 Ų | 137.2 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | trans | 72.1 | 167.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1915 | D | 24.4 | Very low | 24.8 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | cis | -160 | 142.8 | -14.7 | -97.9 | -28.1 | 0 | 0 | 0 | 108.8 | ||||
| 1916 | N | 23.9 | Very low | 24.6 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | 62.3 | 150.9 | 164.3 | -54.7 | -27.2 | 0 | 0 | 0 | 116.7 | ||||
| 1917 | E | 25.7 | Very low | 24.7 | Very low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 72% | 0.72 | S | S | * | * | cis | -149.6 | 145 | 11.8 | -128.8 | 147 | -129 | 0 | 0 | 110.4 | ||||
| 1918 | S | 24.5 | Very low | 24.8 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | 10.4 | 153.4 | 146.7 | 58.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1919 | E | 26.3 | Very low | 24.9 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | cis | -124.5 | -132.4 | 23.2 | -61.7 | 177.9 | 108.1 | 0 | 0 | 114.9 | ||||
| 1920 | D | 27.6 | Very low | 25 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | trans | -137.7 | 178.7 | -156.7 | -107.3 | 135.7 | 0 | 0 | 0 | 112.6 | I1922 | D1920-I1922 WeakPolarHBondContact OD2-CD1 3.04Å; D1920-I1922 WeakPolarHBondContact OD2-CG1 3.01Å | ||
| 1921 | E | 26.3 | Very low | 25 | Very low | 149 Ų | 149 | 132.2 Ų | 132.2 | 70% | 0.696 | 71% | 0.712 | S | S | * | * | cis | -116 | 171.1 | 8.6 | -86.6 | -157.4 | 77.9 | 0 | 0 | 112 | ||||
| 1922 | I | 25.2 | Very low | 25.1 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 59% | 0.59 | 71% | 0.711 | S | S | * | * | cis | 72.2 | 158.8 | 31 | -59.4 | -174.6 | 0 | 0 | 0 | 110.2 | D1920 | D1920-I1922 WeakPolarHBondContact OD2-CD1 3.04Å; D1920-I1922 WeakPolarHBondContact OD2-CG1 3.01Å | ||
| 1923 | I | 28.6 | Very low | 25.1 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | cis | -96.3 | 142.9 | 4.4 | -75.3 | 175.1 | 0 | 0 | 0 | 113.7 | ||||
| 1924 | N | 24 | Very low | 25 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 58% | 0.578 | 72% | 0.715 | S | S | * | * | trans | -88.1 | 152.7 | 174.4 | -78.1 | -70.8 | 0 | 0 | 0 | 113.7 | ||||
| 1925 | T | 28.1 | Very low | 24.9 | Very low | 139 Ų | 139 | 138.4 Ų | 138.4 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | -176.2 | 112.2 | 117 | 21.5 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1926 | Q | 23.8 | Very low | 24.8 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | 85.7 | 137 | 52 | -93.7 | -157.5 | 1.9 | 0 | 0 | 117.2 | |||||
| 1927 | N | 26.6 | Very low | 24.7 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | trans | 87.7 | 86.2 | 148.4 | -58.4 | -14.9 | 0 | 0 | 0 | 121.7 | ||||
| 1928 | S | 22.8 | Very low | 24.6 | Very low | 93 Ų | 93 | 133.8 Ų | 133.8 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | 56.3 | 138 | 105.6 | 66.2 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1929 | L | 26.6 | Very low | 24.5 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | trans | 174.3 | 113.8 | 133.9 | -89.2 | 158.8 | 0 | 0 | 0 | 105.8 | ||||
| 1930 | I | 23.8 | Very low | 24.3 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | 81.9 | 103.6 | 59.8 | -65.5 | 175.1 | 0 | 0 | 0 | 113.3 | |||||
| 1931 | E | 22.5 | Very low | 24 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | trans | 60.8 | 166.5 | 150.8 | -63.5 | -166.3 | 113 | 0 | 0 | 119.9 | ||||
| 1932 | K | 25.3 | Very low | 23.8 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | cis | -154.9 | 159.5 | 7 | -139.9 | 150.3 | -172.8 | 142 | 0 | 113.9 | ||||
| 1933 | S | 22.5 | Very low | 23.6 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | 58.9 | 107.9 | 143.5 | 60.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1934 | F | 21.6 | Very low | 23.3 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | 70.8 | 137.1 | 108.5 | -75.9 | -56.7 | 0 | 0 | 0 | 127.1 | |||||
| 1935 | I | 22.6 | Very low | 23.4 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 73% | 0.728 | 74% | 0.738 | S | S | * | * | 100.4 | 117 | 127.9 | -80.4 | 167.3 | 0 | 0 | 0 | 123.7 | |||||
| 1936 | S | 22.4 | Very low | 23.1 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | trans | 59.1 | 121.5 | 144.9 | 75.7 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1937 | L | 22 | Very low | 23.1 | Very low | 179 Ų | 179 | 134 Ų | 134 | 94% | 0.937 | 73% | 0.73 | S | S | * | * | 44.7 | 117.4 | 124 | -64.8 | 163.8 | 0 | 0 | 0 | 120.9 | |||||
| 1938 | G | 24.2 | Very low | 23.1 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | -160.4 | 153.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1939 | A | 22 | Very low | 23.3 | Very low | 96 Ų | 96 | 139.4 Ų | 139.4 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | -134.4 | 160.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1940 | Q | 21.3 | Very low | 23 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | 80 | 140.1 | 160.5 | -69.1 | -171 | 2.9 | 0 | 0 | 121.2 | ||||
| 1941 | N | 21.8 | Very low | 23 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | trans | 90.5 | 110 | 144.5 | -63.8 | -17.6 | 0 | 0 | 0 | 123.2 | ||||
| 1942 | F | 21.9 | Very low | 23.1 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 75% | 0.746 | 75% | 0.754 | S | S | * | * | 76.7 | 107.9 | 128.5 | -86 | -98.6 | 0 | 0 | 0 | 122.8 | |||||
| 1943 | T | 21.5 | Very low | 23.1 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | trans | 65.1 | 135.1 | 132.9 | 50.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1944 | N | 22.1 | Very low | 23.1 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 49.8 | 137.7 | 137.4 | -53 | 14 | 0 | 0 | 0 | 118.6 | ||||
| 1945 | D | 25.7 | Very low | 23.2 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | cis | -155.8 | -166.8 | 44 | -129.3 | -33.1 | 0 | 0 | 0 | 114.7 | ||||
| 1946 | E | 22.2 | Very low | 23.3 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -75.6 | 157.8 | -167.6 | -70.2 | -158.5 | 157.1 | 0 | 0 | 119.5 | ||||
| 1947 | N | 24.7 | Very low | 23.2 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 63% | 0.631 | 80% | 0.796 | S | S | * | * | trans | 45.7 | 98.9 | 137.6 | -66.6 | -42.2 | 0 | 0 | 0 | 119.9 | ||||
| 1948 | N | 24.8 | Very low | 23.2 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | 171.7 | 134.2 | 104.8 | -93.2 | -65 | 0 | 0 | 0 | 112.7 | |||||
| 1949 | I | 27.2 | Very low | 23.2 | Very low | 171 Ų | 171 | 157.3 Ų | 157.3 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | -173.1 | 154.4 | 129.9 | -98.8 | 157.9 | 0 | 0 | 0 | 108.3 | |||||
| 1950 | S | 21.7 | Very low | 23.3 | Very low | 95 Ų | 95 | 158.2 Ų | 158.2 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -126.4 | 172.5 | -178.7 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1951 | L | 24 | Very low | 23.5 | Very low | 155 Ų | 155 | 155.3 Ų | 155.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 90.3 | 160.5 | -170.9 | -72 | 64.7 | 0 | 0 | 0 | 114.3 | ||||
| 1952 | E | 24.1 | Very low | 23.5 | Very low | 161 Ų | 161 | 160.6 Ų | 160.6 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 44.6 | 100.4 | -174.3 | -59.8 | -47.6 | 123.4 | 0 | 0 | 116.4 | ||||
| 1953 | M | 25.7 | Very low | 23.5 | Very low | 178 Ų | 178 | 159 Ų | 159 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | cis | -141.1 | 124.6 | 43.2 | -71.6 | -175.1 | 166.6 | 0 | 0 | 114.1 | ||||
| 1954 | R | 21.4 | Very low | 23.7 | Very low | 243 Ų | 243 | 159.6 Ų | 159.6 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -125.9 | 72.5 | 162.5 | -100.1 | -171.9 | 171.6 | 179.3 | -1.2 | 110.2 | ||||
| 1955 | K | 24.1 | Very low | 23.7 | Very low | 198 Ų | 198 | 167.4 Ų | 167.4 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -170.3 | 104.8 | 168.2 | -97 | 142.9 | -179.5 | -176.7 | 0 | 109.5 | ||||
| 1956 | A | 24 | Very low | 23.6 | Very low | 99 Ų | 99 | 168.2 Ų | 168.2 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | 159.9 | 46.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1957 | R | 20.9 | Very low | 23.7 | Very low | 256 Ų | 256 | 168.6 Ų | 168.6 | 97% | 0.966 | 84% | 0.838 | S | S | * | * | trans | -146.3 | 73.3 | 166.9 | -88.7 | -159.8 | 174.3 | 179.6 | -0.4 | 112.3 | ||||
| 1958 | S | 21.9 | Very low | 23.7 | Very low | 100 Ų | 100 | 171.4 Ų | 171.4 | 70% | 0.699 | 85% | 0.849 | S | S | * | * | trans | -154.6 | 122.4 | 169.3 | 51.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1959 | W | 24.3 | Very low | 23.6 | Very low | 260 Ų | 260 | 172.3 Ų | 172.3 | 99% | 0.985 | 85% | 0.85 | S | S | * | * | trans | 68.4 | 143.5 | -177.3 | -50.6 | 7.5 | 0 | 0 | 0 | 112.5 | ||||
| 1960 | S | 24.3 | Very low | 23.4 | Very low | 115 Ų | 115 | 172.4 Ų | 172.4 | 80% | 0.804 | 85% | 0.848 | S | S | * | * | cis | -141.8 | 135.2 | -2.3 | 54.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1961 | S | 26.3 | Very low | 23.5 | Very low | 111 Ų | 111 | 177.5 Ų | 177.5 | 78% | 0.776 | 86% | 0.86 | S | S | * | * | trans | -173.9 | 97.5 | 152.9 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1962 | R | 21.1 | Very low | 23.5 | Very low | 233 Ų | 233 | 179.1 Ų | 179.1 | 88% | 0.879 | 86% | 0.864 | S | S | * | * | trans | -86.8 | 168.4 | 142.5 | -79.1 | 178 | 168.6 | 171.2 | -4.3 | 107.3 | ||||
| 1963 | T | 22.1 | Very low | 23.4 | Very low | 137 Ų | 137 | 180.5 Ų | 180.5 | 84% | 0.84 | 87% | 0.873 | S | S | * | * | trans | 58.5 | 80.4 | 167.2 | 49.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1964 | C | 24.7 | Very low | 23.2 | Very low | 116 Ų | 116 | 180.8 Ų | 180.8 | 78% | 0.784 | 87% | 0.872 | S | S | * | * | -157.3 | 127.4 | 120.6 | -98.6 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 1965 | R | 23.8 | Very low | 23.4 | Very low | 301 Ų | 301 | 175.1 Ų | 175.1 | 100% | 1.136 | 87% | 0.868 | S | S | * | * | 78.5 | 0 | 65.7 | -87.9 | -168.2 | 172.5 | -175.8 | 0.4 | 113.2 |
Retrieved 1,965 of 1,965 residues in 2625.9 ms
(Link to these results)