| 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 | 89.5 | Confident | 86.8 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 14% | 0.143 | 41% | 0.413 | C | S | . | . | 0 | 132.1 | 0 | 66.3 | -165.5 | -163.2 | 0 | 0 | 109.3 | L3 L13 Y15 A16 V298 A313 | M1-L3 HydrophobicContact CB-CD2 4.47Å; M1-L3 HydrophobicContact CE-CD1 3.73Å; M1-L3 HydrophobicContact CE-CD2 3.9Å; M1-L3 HydrophobicContact CE-CG 4.14Å; M1-L3 HydrophobicContact CG-CD2 3.95Å; M1-L3 HydrophobicContact CG-CG 4.27Å; M1-L3 HydrophobicContact SD-CD2 4.11Å; M1-L13 HydrophobicContact CE-CD2 4.17Å; M1-Y15 WeakPolarHBondContact O-CA 3.49Å; M1-Y15 VanDerWaalsContact O-CD2 3.28Å; M1-Y15 WeakPolarHBondContact O-CD2 3.14Å; M1-A16 HydrophobicContact CE-CB 3.82Å; M1-A16 HydrophobicContact CG-CB 4.19Å; M1-A16 PolarHBondContact N-O 3.48Å; M1-A16 PolarHBondContact O-N 3.39Å; M1-A16 VanDerWaalsContact O-N 3.13Å; M1-V298 HydrophobicContact CB-CG1 3.67Å; M1-V298 HydrophobicContact CG-CG1 3.89Å; M1-V298 HydrophobicContact SD-CG1 4.1Å; M1-A313 VanDerWaalsContact CE-CA 3.42Å; M1-A313 HydrophobicContact CE-CB 3.79Å | |||
| 2 | N | 87.7 | Confident | 87.5 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -96.1 | 126.1 | 171.3 | -174.7 | -15.9 | 0 | 0 | 0 | 107.7 | L4 | N2-L4 WeakPolarHBondContact OD1-CB 3.45Å; N2-L4 WeakPolarHBondContact OD1-CG 3.48Å; N2-L4 PolarHBondContact OD1-N 2.84Å |
| 3 | L | 90.3 | Very high | 88.2 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 12% | 0.115 | 36% | 0.361 | C | S | . | . | trans | -108.5 | 13.5 | -176.4 | -51.8 | 174.3 | 0 | 0 | 0 | 112.4 | M1 S6 N7 L13 L14 A313 | M1-L3 HydrophobicContact CB-CD2 4.47Å; M1-L3 HydrophobicContact CE-CD1 3.73Å; M1-L3 HydrophobicContact CE-CD2 3.9Å; M1-L3 HydrophobicContact CE-CG 4.14Å; M1-L3 HydrophobicContact CG-CD2 3.95Å; M1-L3 HydrophobicContact CG-CG 4.27Å; M1-L3 HydrophobicContact SD-CD2 4.11Å; L3-S6 CarbonylContact O-C 3.59Å; L3-S6 PolarHBondContact O-N 3.42Å; L3-N7 HydrophobicContact CB-CB 4.25Å; L3-N7 HydrophobicContact CD1-CB 4.34Å; L3-N7 PolarHBondContact O-N 3.18Å; L3-L13 HydrophobicContact CD1-CB 4.31Å; L3-L13 HydrophobicContact CD1-CD2 3.76Å; L3-L13 HydrophobicContact CD1-CG 3.76Å; L3-L14 WeakPolarHBondContact CA-O 3.35Å; L3-L14 WeakPolarHBondContact CB-O 3.31Å; L3-L14 PolarHBondContact N-O 3Å; L3-A313 HydrophobicContact CD1-CB 3.95Å; L3-A313 HydrophobicContact CD2-CB 3.8Å | ||
| 4 | L | 83.9 | Confident | 88.8 | Confident | 66 Ų | 66 | 50.9 Ų | 50.9 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | trans | -67.1 | 155.6 | 176.9 | -71.4 | 178.5 | 0 | 0 | 0 | 112.6 | N2 L14 S55 | N2-L4 WeakPolarHBondContact OD1-CB 3.45Å; N2-L4 WeakPolarHBondContact OD1-CG 3.48Å; N2-L4 PolarHBondContact OD1-N 2.84Å; L4-L14 HydrophobicContact CD2-CD2 4.26Å; L4-S55 VanDerWaalsContact CD1-CB 3.46Å | ||
| 5 | P | 73.1 | Confident | 89.4 | Confident | 108 Ų | 108 | 48.5 Ų | 48.5 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | S | Bend | cis | -77.7 | -16.3 | -0 | 31.4 | -35.6 | 0 | 0 | 0 | 114.1 | ||
| 6 | S | 71.3 | Confident | 89.9 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | trans | -155.8 | 140.2 | 176.1 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | L3 | L3-S6 CarbonylContact O-C 3.59Å; L3-S6 PolarHBondContact O-N 3.42Å | ||
| 7 | N | 88.2 | Confident | 90.4 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | trans | -75.3 | 130.6 | 172.4 | -177.7 | 12.4 | 0 | 0 | 0 | 111.2 | L3 H9 G10 N11 L13 A313 | L3-N7 HydrophobicContact CB-CB 4.25Å; L3-N7 HydrophobicContact CD1-CB 4.34Å; L3-N7 PolarHBondContact O-N 3.18Å; N7-H9 PolarHBondContact O-N 2.83Å; N7-H9 VanDerWaalsContact O-N 3.11Å; N7-H9 PolarHBondContact OD1-CD2 3.41Å; N7-H9 PolarHBondContact OD1-N 3.28Å; N7-G10 PolarHBondContact O-N 2.81Å; N7-N11 PolarHBondContact ND2-OD1 2.73Å; N7-L13 WeakPolarHBondContact CB-O 2.86Å; N7-A313 PolarHBondContact ND2-O 2.92Å | ||
| 8 | A | 89.5 | Confident | 90.9 | Very high | 104 Ų | 104 | 42.1 Ų | 42.1 | 86% | 0.86 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 9 | H | 93.6 | Very high | 91.2 | Very high | 87 Ų | 87 | 40.2 Ų | 40.2 | 40% | 0.403 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.4 | -178.5 | -63.2 | -72.3 | 0 | 0 | 0 | 114.6 | N7 N11 S295 D314 | N7-H9 PolarHBondContact O-N 2.83Å; N7-H9 VanDerWaalsContact O-N 3.11Å; N7-H9 PolarHBondContact OD1-CD2 3.41Å; N7-H9 PolarHBondContact OD1-N 3.28Å; H9-N11 PolarHBondContact O-N 3.15Å; H9-N11 VanDerWaalsContact O-N 3.1Å; H9-S295 PolarHBondContact CE1-OG 2.83Å; H9-S295 PolarHBondContact NE2-OG 2.83Å; H9-D314 PolarHBondContact CD2-N 3.38Å |
| 10 | G | 93 | Very high | 91.4 | Very high | 72 Ų | 72 | 39.5 Ų | 39.5 | 74% | 0.742 | 25% | 0.253 | S | S | * | . | trans | 63.2 | 17.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N7 G12 | N7-G10 PolarHBondContact O-N 2.81Å; G10-G12 VanDerWaalsContact C-N 3.33Å | ||
| 11 | N | 94.9 | Very high | 91.6 | Very high | 43 Ų | 43 | 40 Ų | 40 | 23% | 0.23 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -90.6 | 10.7 | -178.2 | 65.1 | 7.6 | 0 | 0 | 0 | 113.7 | N7 H9 L13 A313 D314 L337 | N7-N11 PolarHBondContact ND2-OD1 2.73Å; H9-N11 PolarHBondContact O-N 3.15Å; H9-N11 VanDerWaalsContact O-N 3.1Å; N11-L13 PolarHBondContact O-N 2.75Å; N11-L13 VanDerWaalsContact OD1-CB 3.24Å; N11-L13 WeakPolarHBondContact OD1-CB 3.48Å; N11-L13 PolarHBondContact OD1-N 3.18Å; N11-A313 PolarHBondContact ND2-O 2.68Å; N11-D314 PolarHBondContact ND2-O 3.46Å; N11-L337 HydrophobicContact CB-CD1 4.07Å |
| 12 | G | 94.8 | Very high | 92 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 16% | 0.155 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 73 | -1.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | G10 M29 E30 | G10-G12 VanDerWaalsContact C-N 3.33Å; G12-M29 CarbonylContact O-C 3.58Å; G12-M29 VanDerWaalsContact O-CA 3.25Å; G12-M29 WeakPolarHBondContact O-CA 3.24Å; G12-E30 PolarHBondContact O-N 3.29Å |
| 13 | L | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 126.9 | 177.1 | -174.1 | 68.8 | 0 | 0 | 0 | 110.7 | M1 L3 N7 N11 Y15 C27 M29 F336 L337 | M1-L13 HydrophobicContact CE-CD2 4.17Å; L3-L13 HydrophobicContact CD1-CB 4.31Å; L3-L13 HydrophobicContact CD1-CD2 3.76Å; L3-L13 HydrophobicContact CD1-CG 3.76Å; N7-L13 WeakPolarHBondContact CB-O 2.86Å; N11-L13 PolarHBondContact O-N 2.75Å; N11-L13 VanDerWaalsContact OD1-CB 3.24Å; N11-L13 WeakPolarHBondContact OD1-CB 3.48Å; N11-L13 PolarHBondContact OD1-N 3.18Å; L13-Y15 VanDerWaalsContact CD1-O 3.3Å; L13-Y15 WeakPolarHBondContact CD1-O 3.39Å; L13-C27 HydrophobicContact CD1-CB 3.6Å; L13-M29 HydrophobicContact CB-CE 4.4Å; L13-M29 HydrophobicContact CB-SD 4.33Å; L13-M29 HydrophobicContact CD1-SD 3.54Å; L13-M29 VanDerWaalsContact CD1-SD 3.54Å; L13-F336 HydrophobicContact CD2-CZ 4.21Å; L13-L337 HydrophobicContact CB-CD1 4.36Å |
| 14 | L | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -25.6 | 179.2 | -60.2 | 179.3 | 0 | 0 | 0 | 112.9 | L3 L4 G28 E30 | L3-L14 WeakPolarHBondContact CA-O 3.35Å; L3-L14 WeakPolarHBondContact CB-O 3.31Å; L3-L14 PolarHBondContact N-O 3Å; L4-L14 HydrophobicContact CD2-CD2 4.26Å; L14-G28 PolarHBondContact N-O 3.4Å; L14-E30 HydrophobicContact CD1-CG 4.06Å; L14-E30 HydrophobicContact CD2-CG 3.79Å; L14-E30 HydrophobicContact CG-CG 3.98Å |
| 15 | Y | 97.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 6% | 0.059 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 147.4 | -177.8 | 170.8 | -88.3 | 0 | 0 | 0 | 110.6 | M1 L13 C27 G28 S55 H56 V57 | M1-Y15 WeakPolarHBondContact O-CA 3.49Å; M1-Y15 VanDerWaalsContact O-CD2 3.28Å; M1-Y15 WeakPolarHBondContact O-CD2 3.14Å; L13-Y15 VanDerWaalsContact CD1-O 3.3Å; L13-Y15 WeakPolarHBondContact CD1-O 3.39Å; Y15-C27 CarbonylContact O-C 3.59Å; Y15-C27 WeakPolarHBondContact O-CA 3.43Å; Y15-G28 PolarHBondContact N-O 2.88Å; Y15-G28 PolarHBondContact O-N 2.88Å; Y15-S55 WeakPolarHBondContact CB-O 3.39Å; Y15-H56 AromaticContact CD2-ND1 3.91Å; Y15-H56 AromaticContact CE2-CE1 3.71Å; Y15-H56 AromaticContact CE2-ND1 3.49Å; Y15-H56 WeakPolarHBondContact CE2-ND1 3.38Å; Y15-V57 HydrophobicContact CD1-CB 4.37Å; Y15-V57 HydrophobicContact CE1-CB 4.37Å; Y15-V57 WeakPolarHBondContact CE1-O 3.22Å; Y15-V57 PolarHBondContact OH-O 3Å |
| 16 | A | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 133.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | M1 A26 I311 | M1-A16 HydrophobicContact CE-CB 3.82Å; M1-A16 HydrophobicContact CG-CB 4.19Å; M1-A16 PolarHBondContact N-O 3.48Å; M1-A16 PolarHBondContact O-N 3.39Å; M1-A16 VanDerWaalsContact O-N 3.13Å; A16-A26 CarbonylContact C-O 3.43Å; A16-A26 VanDerWaalsContact CA-O 3.32Å; A16-A26 WeakPolarHBondContact CA-O 3.43Å; A16-I311 HydrophobicContact CB-CG2 4.28Å |
| 17 | G | 98 | Very high | 96 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 141.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F25 A26 M59 | G17-F25 CarbonylContact O-C 3.59Å; G17-F25 VanDerWaalsContact O-CA 3.22Å; G17-F25 WeakPolarHBondContact O-CA 3.41Å; G17-F25 WeakPolarHBondContact O-CB 3.24Å; G17-A26 PolarHBondContact N-O 2.82Å; G17-A26 PolarHBondContact O-N 3.36Å; G17-M59 WeakPolarHBondContact O-CE 3.24Å |
| 18 | F | 98.4 | Very high | 96.5 | Very high | 25 Ų | 25 | 23.5 Ų | 23.5 | 11% | 0.11 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 153.5 | 172.3 | -70.8 | -79.1 | 0 | 0 | 0 | 111 | H22 C24 F25 A38 V298 A300 I309 I311 | F18-H22 HydrophobicContact CB-CB 4.39Å; F18-H22 HydrophobicContact CD1-CB 4.06Å; F18-H22 HydrophobicContact CG-CB 4.33Å; F18-C24 CarbonylContact C-O 3.46Å; F18-C24 WeakPolarHBondContact CA-O 3.17Å; F18-F25 HydrophobicContact CD1-CB 4Å; F18-F25 HydrophobicContact CE1-CB 4.33Å; F18-F25 HydrophobicContact CG-CB 4.5Å; F18-A38 HydrophobicContact CE1-CB 4.15Å; F18-V298 HydrophobicContact CD2-CB 4.41Å; F18-V298 HydrophobicContact CD2-CG2 4.12Å; F18-V298 HydrophobicContact CE2-CB 4.12Å; F18-V298 HydrophobicContact CE2-CG2 3.72Å; F18-A300 HydrophobicContact CD1-CB 4.1Å; F18-A300 HydrophobicContact CD2-CB 3.81Å; F18-A300 HydrophobicContact CE1-CB 3.88Å; F18-A300 HydrophobicContact CE2-CB 3.58Å; F18-A300 HydrophobicContact CG-CB 4.07Å; F18-A300 HydrophobicContact CZ-CB 3.61Å; F18-I309 HydrophobicContact CE1-CG2 4.45Å; F18-I309 HydrophobicContact CZ-CB 4.41Å; F18-I309 HydrophobicContact CZ-CG2 4.13Å; F18-I311 HydrophobicContact CD1-CD1 4.35Å; F18-I311 HydrophobicContact CE1-CD1 3.56Å; F18-I311 HydrophobicContact CE2-CD1 3.97Å; F18-I311 HydrophobicContact CZ-CD1 3.34Å; F18-I311 HydrophobicContact CZ-CG1 3.99Å |
| 19 | N | 97.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 18.8 Ų | 18.8 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | trans | -74.6 | 179.2 | 163.5 | 72.6 | -23.1 | 0 | 0 | 0 | 110.2 | D21 H22 G23 C24 M59 F61 | N19-D21 VanDerWaalsContact C-N 3.3Å; N19-D21 PolarHBondContact ND2-OD1 2.79Å; N19-D21 PolarHBondContact O-N 3.29Å; N19-D21 PolarHBondContact OD1-OD1 3.35Å; N19-H22 PolarHBondContact O-N 3.38Å; N19-H22 VanDerWaalsContact O-N 3.08Å; N19-H22 WeakPolarHBondContact OD1-CA 2.98Å; N19-H22 PolarHBondContact OD1-N 3.23Å; N19-H22 VanDerWaalsContact OD1-N 3.13Å; N19-G23 PolarHBondContact OD1-N 2.82Å; N19-C24 HydrophobicContact CB-CB 4.45Å; N19-C24 PolarHBondContact N-O 3.3Å; N19-C24 PolarHBondContact OD1-N 3.42Å; N19-C24 PolarHBondContact OD1-O 3.29Å; N19-M59 HydrophobicContact CB-CB 3.97Å; N19-M59 HydrophobicContact CB-CE 3.54Å; N19-M59 HydrophobicContact CB-SD 3.92Å; N19-F61 PolarHBondContact ND2-O 3.07Å | ||
| 20 | Q | 95.9 | Very high | 96.9 | Very high | 26 Ų | 26 | 18.5 Ų | 18.5 | 12% | 0.121 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -36.9 | -170.5 | -66.4 | 78.3 | -3.7 | 0 | 0 | 113.8 | M59 F61 L107 P149 L195 | Q20-M59 PolarHBondContact NE2-O 3.24Å; Q20-M59 PolarHBondContact OE1-O 3.29Å; Q20-F61 HydrophobicContact CB-CD1 3.9Å; Q20-F61 HydrophobicContact CB-CE1 3.72Å; Q20-F61 HydrophobicContact CB-CE2 4.45Å; Q20-F61 HydrophobicContact CB-CG 4.38Å; Q20-F61 HydrophobicContact CB-CZ 4.06Å; Q20-F61 HydrophobicContact CG-CD2 4.41Å; Q20-F61 HydrophobicContact CG-CE1 4.46Å; Q20-F61 HydrophobicContact CG-CE2 4.34Å; Q20-F61 HydrophobicContact CG-CZ 4.41Å; Q20-F61 VanDerWaalsContact OE1-CA 3.24Å; Q20-L107 PolarHBondContact NE2-O 2.88Å; Q20-P149 HydrophobicContact CB-CB 3.68Å; Q20-P149 HydrophobicContact CB-CG 4.05Å; Q20-P149 HydrophobicContact CG-CB 3.56Å; Q20-P149 HydrophobicContact CG-CG 4.37Å; Q20-L195 WeakPolarHBondContact O-CD2 3.5Å |
| 21 | D | 94.8 | Very high | 97 | Very high | 50 Ų | 50 | 17.9 Ų | 17.9 | 27% | 0.267 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4 | -179.5 | 65.1 | 1.8 | 0 | 0 | 0 | 113.8 | N19 G23 | N19-D21 VanDerWaalsContact C-N 3.3Å; N19-D21 PolarHBondContact ND2-OD1 2.79Å; N19-D21 PolarHBondContact O-N 3.29Å; N19-D21 PolarHBondContact OD1-OD1 3.35Å; D21-G23 PolarHBondContact O-N 3.23Å; D21-G23 VanDerWaalsContact O-N 3.14Å; D21-G23 PolarHBondContact OD1-N 3.22Å |
| 22 | H | 97.7 | Very high | 97.1 | Very high | 24 Ų | 24 | 15.8 Ų | 15.8 | 11% | 0.111 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 60.6 | 9.8 | -174.7 | -37.2 | 119.9 | 0 | 0 | 0 | 115.4 | F18 N19 C24 A38 N237 F238 A300 | F18-H22 HydrophobicContact CB-CB 4.39Å; F18-H22 HydrophobicContact CD1-CB 4.06Å; F18-H22 HydrophobicContact CG-CB 4.33Å; N19-H22 PolarHBondContact O-N 3.38Å; N19-H22 VanDerWaalsContact O-N 3.08Å; N19-H22 WeakPolarHBondContact OD1-CA 2.98Å; N19-H22 PolarHBondContact OD1-N 3.23Å; N19-H22 VanDerWaalsContact OD1-N 3.13Å; H22-C24 PolarHBondContact O-N 2.76Å; H22-A38 WeakPolarHBondContact O-CB 3.44Å; H22-N237 VanDerWaalsContact NE2-CG 3.26Å; H22-N237 PolarHBondContact NE2-OD1 3.26Å; H22-N237 VanDerWaalsContact NE2-OD1 3.09Å; H22-F238 PolarHBondContact CE1-O 2.92Å; H22-A300 HydrophobicContact CB-CB 3.61Å |
| 23 | G | 97.4 | Very high | 97.2 | Very high | 16 Ų | 16 | 15.1 Ų | 15.1 | 17% | 0.165 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -73.4 | -16.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N19 D21 A38 R62 | N19-G23 PolarHBondContact OD1-N 2.82Å; D21-G23 PolarHBondContact O-N 3.23Å; D21-G23 VanDerWaalsContact O-N 3.14Å; D21-G23 PolarHBondContact OD1-N 3.22Å; G23-A38 PolarHBondContact O-N 3.07Å; G23-R62 PolarHBondContact O-NH2 2.93Å; G23-R62 VanDerWaalsContact O-NH2 3.11Å |
| 24 | C | 98.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 5% | 0.047 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 160.1 | 175 | -62 | 0 | 0 | 0 | 0 | 110.7 | F18 N19 H22 Y36 M59 | F18-C24 CarbonylContact C-O 3.46Å; F18-C24 WeakPolarHBondContact CA-O 3.17Å; N19-C24 HydrophobicContact CB-CB 4.45Å; N19-C24 PolarHBondContact N-O 3.3Å; N19-C24 PolarHBondContact OD1-N 3.42Å; N19-C24 PolarHBondContact OD1-O 3.29Å; H22-C24 PolarHBondContact O-N 2.76Å; C24-Y36 CarbonylContact C-O 3.54Å; C24-Y36 WeakPolarHBondContact CA-O 2.91Å; C24-Y36 VanDerWaalsContact CB-O 3.26Å; C24-Y36 WeakPolarHBondContact CB-O 3.48Å; C24-M59 HydrophobicContact CB-SD 3.97Å |
| 25 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 149 | 165.4 | 67.4 | -88.4 | 0 | 0 | 0 | 110.7 | G17 F18 Y36 A38 L41 I311 Y317 F336 | G17-F25 CarbonylContact O-C 3.59Å; G17-F25 VanDerWaalsContact O-CA 3.22Å; G17-F25 WeakPolarHBondContact O-CA 3.41Å; G17-F25 WeakPolarHBondContact O-CB 3.24Å; F18-F25 HydrophobicContact CD1-CB 4Å; F18-F25 HydrophobicContact CE1-CB 4.33Å; F18-F25 HydrophobicContact CG-CB 4.5Å; F25-Y36 AromaticContact CD2-CD2 3.85Å; F25-Y36 HydrophobicContact CD2-CD2 3.85Å; F25-Y36 HydrophobicContact CD2-CG 4.42Å; F25-Y36 VanDerWaalsContact CE1-CB 3.42Å; F25-Y36 HydrophobicContact CE1-CD2 4.42Å; F25-Y36 HydrophobicContact CE1-CG 4.07Å; F25-Y36 AromaticContact CE2-CD2 3.27Å; F25-Y36 HydrophobicContact CE2-CD2 3.27Å; F25-Y36 AromaticContact CE2-CE2 3.9Å; F25-Y36 HydrophobicContact CE2-CE2 3.9Å; F25-Y36 AromaticContact CE2-CG 3.71Å; F25-Y36 HydrophobicContact CE2-CG 3.71Å; F25-Y36 VanDerWaalsContact CZ-CB 3.41Å; F25-Y36 HydrophobicContact CZ-CD1 4.22Å; F25-Y36 AromaticContact CZ-CD2 3.61Å; F25-Y36 HydrophobicContact CZ-CD2 3.61Å; F25-Y36 HydrophobicContact CZ-CE2 4.4Å; F25-Y36 AromaticContact CZ-CG 3.5Å; F25-Y36 HydrophobicContact CZ-CG 3.5Å; F25-Y36 PolarHBondContact N-O 3.37Å; F25-Y36 PolarHBondContact O-N 2.99Å; F25-A38 HydrophobicContact CD1-CB 4.23Å; F25-L41 HydrophobicContact CE1-CD1 3.62Å; F25-L41 HydrophobicContact CZ-CD1 3.71Å; F25-I311 HydrophobicContact CB-CD1 3.62Å; F25-I311 HydrophobicContact CD1-CD1 3.4Å; F25-I311 HydrophobicContact CD1-CG1 4.46Å; F25-I311 HydrophobicContact CD2-CD1 3.64Å; F25-I311 HydrophobicContact CD2-CG2 4.41Å; F25-I311 HydrophobicContact CE1-CD1 3.83Å; F25-I311 HydrophobicContact CE1-CG1 4.47Å; F25-I311 HydrophobicContact CE2-CD1 4.05Å; F25-I311 HydrophobicContact CE2-CG2 4.24Å; F25-I311 HydrophobicContact CG-CD1 3.28Å; F25-I311 HydrophobicContact CZ-CD1 4.13Å; F25-Y317 HydrophobicContact CE1-CD2 4.35Å; F25-F336 AromaticContact CE2-CD2 4Å; F25-F336 HydrophobicContact CE2-CD2 4Å; F25-F336 HydrophobicContact CE2-CE2 4.14Å; F25-F336 HydrophobicContact CE2-CG 4.34Å; F25-F336 HydrophobicContact CZ-CB 4.44Å; F25-F336 HydrophobicContact CZ-CD2 4.29Å; F25-F336 HydrophobicContact CZ-CG 4.23Å |
| 26 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A16 G17 R34 V35 V57 M59 | A16-A26 CarbonylContact C-O 3.43Å; A16-A26 VanDerWaalsContact CA-O 3.32Å; A16-A26 WeakPolarHBondContact CA-O 3.43Å; G17-A26 PolarHBondContact N-O 2.82Å; G17-A26 PolarHBondContact O-N 3.36Å; A26-R34 CarbonylContact C-O 3.56Å; A26-R34 VanDerWaalsContact CA-O 3.3Å; A26-R34 WeakPolarHBondContact CA-O 3.36Å; A26-V35 HydrophobicContact CB-CG2 4.28Å; A26-V57 HydrophobicContact CB-CB 3.92Å; A26-V57 HydrophobicContact CB-CG1 3.55Å; A26-M59 HydrophobicContact CB-CE 3.6Å; A26-M59 HydrophobicContact CB-CG 4.02Å; A26-M59 HydrophobicContact CB-SD 3.83Å; A26-M59 VanDerWaalsContact N-CE 3.29Å |
| 27 | C | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.6 | 179.1 | -64.2 | 0 | 0 | 0 | 0 | 110 | L13 Y15 M29 F33 R34 | L13-C27 HydrophobicContact CD1-CB 3.6Å; Y15-C27 CarbonylContact O-C 3.59Å; Y15-C27 WeakPolarHBondContact O-CA 3.43Å; C27-M29 HydrophobicContact CB-SD 4Å; C27-F33 CarbonylContact O-C 3.53Å; C27-F33 WeakPolarHBondContact O-CA 3.28Å; C27-F33 VanDerWaalsContact O-CB 3.28Å; C27-F33 WeakPolarHBondContact O-CB 3.18Å; C27-R34 HydrophobicContact CB-CB 4.37Å; C27-R34 PolarHBondContact N-O 2.94Å; C27-R34 PolarHBondContact O-N 2.8Å |
| 28 | G | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.1 | L14 Y15 V54 | L14-G28 PolarHBondContact N-O 3.4Å; Y15-G28 PolarHBondContact N-O 2.88Å; Y15-G28 PolarHBondContact O-N 2.88Å; G28-V54 CarbonylContact C-O 3.55Å; G28-V54 WeakPolarHBondContact CA-O 3.46Å |
| 29 | M | 97.1 | Very high | 97.3 | Very high | 5 Ų | 5 | 17.9 Ų | 17.9 | 3% | 0.025 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 159.8 | -175.9 | -52.6 | -61.5 | -64.3 | 0 | 0 | 110.8 | G12 L13 C27 N31 G32 R34 G53 V54 L337 | G12-M29 CarbonylContact O-C 3.58Å; G12-M29 VanDerWaalsContact O-CA 3.25Å; G12-M29 WeakPolarHBondContact O-CA 3.24Å; L13-M29 HydrophobicContact CB-CE 4.4Å; L13-M29 HydrophobicContact CB-SD 4.33Å; L13-M29 HydrophobicContact CD1-SD 3.54Å; L13-M29 VanDerWaalsContact CD1-SD 3.54Å; C27-M29 HydrophobicContact CB-SD 4Å; M29-N31 WeakPolarHBondContact CB-OD1 3.07Å; M29-N31 PolarHBondContact O-N 3.36Å; M29-N31 VanDerWaalsContact O-N 3.16Å; M29-G32 WeakPolarHBondContact CA-O 3.4Å; M29-G32 WeakPolarHBondContact CB-O 3.4Å; M29-G32 PolarHBondContact N-O 2.85Å; M29-G32 PolarHBondContact O-N 3.18Å; M29-G32 VanDerWaalsContact O-O 3.14Å; M29-R34 HydrophobicContact CG-CG 4.23Å; M29-G53 CarbonylContact O-C 3.53Å; M29-G53 WeakPolarHBondContact O-CA 3.29Å; M29-V54 PolarHBondContact N-O 2.93Å; M29-V54 PolarHBondContact O-N 2.82Å; M29-L337 HydrophobicContact CE-CD1 4.39Å; M29-L337 HydrophobicContact CE-CD2 3.74Å; M29-L337 HydrophobicContact SD-CD2 4.02Å |
| 30 | E | 95.8 | Very high | 97.3 | Very high | 80 Ų | 80 | 22.4 Ų | 22.4 | 37% | 0.374 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.5 | 172.3 | -74.2 | -169.4 | 161 | 0 | 0 | 113.5 | G12 L14 G52 G53 | G12-E30 PolarHBondContact O-N 3.29Å; L14-E30 HydrophobicContact CD1-CG 4.06Å; L14-E30 HydrophobicContact CD2-CG 3.79Å; L14-E30 HydrophobicContact CG-CG 3.98Å; E30-G52 CarbonylContact O-C 3.5Å; E30-G52 VanDerWaalsContact O-C 3.3Å; E30-G53 VanDerWaalsContact C-CA 3.48Å; E30-G53 WeakPolarHBondContact O-CA 3.3Å; E30-G53 PolarHBondContact O-N 3.18Å |
| 31 | N | 95.2 | Very high | 97.3 | Very high | 59 Ų | 59 | 22.3 Ų | 22.3 | 32% | 0.316 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 13.5 | -179.1 | 71.3 | -20.6 | 0 | 0 | 0 | 114 | M29 E48 F49 G52 | M29-N31 WeakPolarHBondContact CB-OD1 3.07Å; M29-N31 PolarHBondContact O-N 3.36Å; M29-N31 VanDerWaalsContact O-N 3.16Å; N31-E48 PolarHBondContact ND2-OE1 3.2Å; N31-E48 CarbonylContact O-C 3.6Å; N31-E48 WeakPolarHBondContact O-CA 3.37Å; N31-F49 PolarHBondContact O-N 2.81Å; N31-G52 CarbonylContact C-O 3.16Å |
| 32 | G | 96.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.1 | -140.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M29 Q47 V54 | M29-G32 WeakPolarHBondContact CA-O 3.4Å; M29-G32 WeakPolarHBondContact CB-O 3.4Å; M29-G32 PolarHBondContact N-O 2.85Å; M29-G32 PolarHBondContact O-N 3.18Å; M29-G32 VanDerWaalsContact O-O 3.14Å; G32-Q47 WeakPolarHBondContact CA-O 3.29Å; G32-V54 WeakPolarHBondContact O-CB 3.32Å |
| 33 | F | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 162.1 | 176.2 | 69.7 | -93.1 | 0 | 0 | 0 | 112 | C27 V35 E45 Q47 F49 V57 L66 L68 W85 | C27-F33 CarbonylContact O-C 3.53Å; C27-F33 WeakPolarHBondContact O-CA 3.28Å; C27-F33 VanDerWaalsContact O-CB 3.28Å; C27-F33 WeakPolarHBondContact O-CB 3.18Å; F33-V35 HydrophobicContact CD2-CG2 4.27Å; F33-V35 HydrophobicContact CE2-CG2 4.34Å; F33-E45 HydrophobicContact CE2-CG 4.06Å; F33-Q47 HydrophobicContact CD1-CB 3.93Å; F33-Q47 HydrophobicContact CD1-CG 4.29Å; F33-Q47 HydrophobicContact CD2-CB 4.41Å; F33-Q47 HydrophobicContact CE1-CB 3.45Å; F33-Q47 VanDerWaalsContact CE1-CB 3.45Å; F33-Q47 HydrophobicContact CE1-CG 3.63Å; F33-Q47 HydrophobicContact CE2-CB 3.95Å; F33-Q47 HydrophobicContact CG-CB 4.39Å; F33-Q47 HydrophobicContact CZ-CB 3.44Å; F33-Q47 VanDerWaalsContact CZ-CB 3.44Å; F33-Q47 HydrophobicContact CZ-CG 3.97Å; F33-Q47 PolarHBondContact N-O 3Å; F33-Q47 PolarHBondContact O-N 3.06Å; F33-F49 HydrophobicContact CD1-CZ 4.22Å; F33-F49 HydrophobicContact CE1-CZ 4.21Å; F33-V57 HydrophobicContact CB-CG2 3.88Å; F33-L66 HydrophobicContact CD2-CD1 4.01Å; F33-L66 HydrophobicContact CE2-CD1 3.32Å; F33-L66 HydrophobicContact CZ-CD1 3.66Å; F33-L68 HydrophobicContact CD1-CD1 4.06Å; F33-L68 HydrophobicContact CD1-CD2 4.13Å; F33-L68 HydrophobicContact CE1-CD1 3.94Å; F33-L68 HydrophobicContact CE1-CD2 4.43Å; F33-L68 HydrophobicContact CG-CD2 4.42Å; F33-W85 HydrophobicContact CE1-CD2 4.4Å; F33-W85 AromaticContact CZ-CD1 3.91Å; F33-W85 HydrophobicContact CZ-CG 4.42Å; F33-W85 AromaticContact CZ-NE1 3.65Å |
| 34 | R | 97.7 | Very high | 97.2 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 10% | 0.102 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 150.3 | 175.5 | -55.6 | -172.5 | -173.8 | -170.4 | 11.5 | 110.8 | A26 C27 M29 Y36 E43 E45 K46 L337 | A26-R34 CarbonylContact C-O 3.56Å; A26-R34 VanDerWaalsContact CA-O 3.3Å; A26-R34 WeakPolarHBondContact CA-O 3.36Å; C27-R34 HydrophobicContact CB-CB 4.37Å; C27-R34 PolarHBondContact N-O 2.94Å; C27-R34 PolarHBondContact O-N 2.8Å; M29-R34 HydrophobicContact CG-CG 4.23Å; R34-Y36 HydrophobicContact CB-CD2 4.4Å; R34-Y36 HydrophobicContact CB-CE2 3.55Å; R34-Y36 WeakPolarHBondContact CD-OH 3.42Å; R34-Y36 PolarHBondContact NH1-OH 2.78Å; R34-E43 WeakPolarHBondContact CD-OE2 3.2Å; R34-E43 IonicContact NH1-OE2 3Å; R34-E43 PolarHBondContact NH1-OE2 2.83Å; R34-E45 CarbonylContact C-O 3.57Å; R34-E45 VanDerWaalsContact CA-O 3.29Å; R34-E45 WeakPolarHBondContact CA-O 3.45Å; R34-K46 HydrophobicContact CG-CB 4.49Å; R34-K46 HydrophobicContact CG-CG 4.14Å; R34-L337 PolarHBondContact NH1-O 3.32Å |
| 35 | V | 97.8 | Very high | 97 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 136.8 | 174.1 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | A26 F33 K44 E45 M59 L66 | A26-V35 HydrophobicContact CB-CG2 4.28Å; F33-V35 HydrophobicContact CD2-CG2 4.27Å; F33-V35 HydrophobicContact CE2-CG2 4.34Å; V35-K44 WeakPolarHBondContact O-CA 3.17Å; V35-K44 WeakPolarHBondContact O-CB 2.88Å; V35-K44 PolarHBondContact O-N 2.86Å; V35-E45 HydrophobicContact CB-CB 4.05Å; V35-E45 HydrophobicContact CG2-CB 4.29Å; V35-E45 PolarHBondContact N-O 3Å; V35-E45 PolarHBondContact O-N 2.88Å; V35-E45 VanDerWaalsContact O-N 3.15Å; V35-M59 HydrophobicContact CG1-SD 3.92Å; V35-L66 HydrophobicContact CG2-CD1 4.34Å |
| 36 | Y | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.8 | -179.8 | -57.6 | -98.5 | 0 | 0 | 0 | 110.1 | C24 F25 R34 L41 K42 E43 F336 | C24-Y36 CarbonylContact C-O 3.54Å; C24-Y36 WeakPolarHBondContact CA-O 2.91Å; C24-Y36 VanDerWaalsContact CB-O 3.26Å; C24-Y36 WeakPolarHBondContact CB-O 3.48Å; F25-Y36 AromaticContact CD2-CD2 3.85Å; F25-Y36 HydrophobicContact CD2-CD2 3.85Å; F25-Y36 HydrophobicContact CD2-CG 4.42Å; F25-Y36 VanDerWaalsContact CE1-CB 3.42Å; F25-Y36 HydrophobicContact CE1-CD2 4.42Å; F25-Y36 HydrophobicContact CE1-CG 4.07Å; F25-Y36 AromaticContact CE2-CD2 3.27Å; F25-Y36 HydrophobicContact CE2-CD2 3.27Å; F25-Y36 AromaticContact CE2-CE2 3.9Å; F25-Y36 HydrophobicContact CE2-CE2 3.9Å; F25-Y36 AromaticContact CE2-CG 3.71Å; F25-Y36 HydrophobicContact CE2-CG 3.71Å; F25-Y36 VanDerWaalsContact CZ-CB 3.41Å; F25-Y36 HydrophobicContact CZ-CD1 4.22Å; F25-Y36 AromaticContact CZ-CD2 3.61Å; F25-Y36 HydrophobicContact CZ-CD2 3.61Å; F25-Y36 HydrophobicContact CZ-CE2 4.4Å; F25-Y36 AromaticContact CZ-CG 3.5Å; F25-Y36 HydrophobicContact CZ-CG 3.5Å; F25-Y36 PolarHBondContact N-O 3.37Å; F25-Y36 PolarHBondContact O-N 2.99Å; R34-Y36 HydrophobicContact CB-CD2 4.4Å; R34-Y36 HydrophobicContact CB-CE2 3.55Å; R34-Y36 WeakPolarHBondContact CD-OH 3.42Å; R34-Y36 PolarHBondContact NH1-OH 2.78Å; Y36-L41 HydrophobicContact CD1-CD1 4.35Å; Y36-K42 CarbonylContact C-O 3.53Å; Y36-K42 VanDerWaalsContact CA-O 3.24Å; Y36-K42 WeakPolarHBondContact CA-O 3.2Å; Y36-E43 HydrophobicContact CD1-CB 3.79Å; Y36-E43 HydrophobicContact CD1-CG 4.02Å; Y36-E43 HydrophobicContact CE1-CB 3.7Å; Y36-E43 HydrophobicContact CE1-CG 3.67Å; Y36-E43 PolarHBondContact OH-OE2 2.94Å; Y36-F336 HydrophobicContact CE1-CB 4.36Å; Y36-F336 HydrophobicContact CE1-CD2 4.32Å; Y36-F336 WeakPolarHBondContact CE1-O 3.21Å; Y36-F336 AromaticContact CE2-CD2 3.9Å; Y36-F336 HydrophobicContact CE2-CD2 3.9Å; Y36-F336 HydrophobicContact CE2-CE2 4.36Å; Y36-F336 AromaticContact CZ-CD2 3.76Å; Y36-F336 PolarHBondContact OH-O 3.05Å |
| 37 | N | 98 | Very high | 96.7 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 19% | 0.193 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 138.3 | 154.7 | -74.7 | -13.8 | 0 | 0 | 0 | 108.3 | P40 L41 K42 K44 | N37-P40 WeakPolarHBondContact CB-O 3.43Å; N37-L41 WeakPolarHBondContact O-CA 3.24Å; N37-K42 HydrophobicContact CB-CB 4.26Å; N37-K42 PolarHBondContact N-O 3.37Å; N37-K42 PolarHBondContact O-N 3.17Å; N37-K44 HydrophobicContact CB-CG 4.45Å; N37-K44 WeakPolarHBondContact OD1-CG 3.25Å |
| 38 | A | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -48.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F18 H22 G23 F25 I309 Y317 | F18-A38 HydrophobicContact CE1-CB 4.15Å; H22-A38 WeakPolarHBondContact O-CB 3.44Å; G23-A38 PolarHBondContact O-N 3.07Å; F25-A38 HydrophobicContact CD1-CB 4.23Å; A38-I309 HydrophobicContact CB-CD1 3.86Å; A38-Y317 WeakPolarHBondContact O-CE2 3.49Å; A38-Y317 PolarHBondContact O-OH 2.93Å |
| 39 | D | 97.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -151.7 | 111.5 | -174.9 | -175.5 | 21.8 | 0 | 0 | 0 | 112.1 | T303 I309 K319 | D39-T303 PolarHBondContact O-OG1 2.91Å; D39-T303 WeakPolarHBondContact OD2-CB 3.33Å; D39-T303 PolarHBondContact OD2-N 3.01Å; D39-I309 HydrophobicContact CB-CD1 3.72Å; D39-K319 VanDerWaalsContact CG-NZ 3.28Å; D39-K319 IonicContact OD1-NZ 3.35Å; D39-K319 PolarHBondContact OD1-NZ 3.16Å; D39-K319 VanDerWaalsContact OD2-CE 3.29Å; D39-K319 WeakPolarHBondContact OD2-CE 3.14Å; D39-K319 IonicContact OD2-NZ 2.7Å; D39-K319 PolarHBondContact OD2-NZ 2.97Å |
| 40 | P | 97.1 | Very high | 95.8 | Very high | 101 Ų | 101 | 51.7 Ų | 51.7 | 66% | 0.656 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -67.6 | 143.6 | -0.8 | 28.6 | -35 | 0 | 0 | 0 | 112.1 | N37 K42 | N37-P40 WeakPolarHBondContact CB-O 3.43Å; P40-K42 PolarHBondContact O-N 2.83Å |
| 41 | L | 97.7 | Very high | 95.3 | Very high | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.12 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 122.6 | 179 | 177.3 | 66.9 | 0 | 0 | 0 | 110.4 | F25 Y36 N37 Y317 A334 F336 M339 | F25-L41 HydrophobicContact CE1-CD1 3.62Å; F25-L41 HydrophobicContact CZ-CD1 3.71Å; Y36-L41 HydrophobicContact CD1-CD1 4.35Å; N37-L41 WeakPolarHBondContact O-CA 3.24Å; L41-Y317 HydrophobicContact CB-CE1 4.27Å; L41-Y317 HydrophobicContact CB-CE2 4.34Å; L41-Y317 HydrophobicContact CD1-CD2 3.89Å; L41-Y317 HydrophobicContact CD1-CE2 4.09Å; L41-Y317 HydrophobicContact CD1-CG 4.35Å; L41-Y317 HydrophobicContact CD2-CD1 3.82Å; L41-Y317 HydrophobicContact CD2-CD2 4.11Å; L41-Y317 HydrophobicContact CD2-CE1 4.34Å; L41-Y317 HydrophobicContact CD2-CG 3.71Å; L41-Y317 HydrophobicContact CG-CD2 4.45Å; L41-A334 HydrophobicContact CD2-CB 3.49Å; L41-A334 VanDerWaalsContact CD2-CB 3.49Å; L41-F336 HydrophobicContact CD1-CB 4.37Å; L41-F336 HydrophobicContact CD2-CB 4.21Å; L41-M339 HydrophobicContact CD1-SD 4.35Å; L41-M339 HydrophobicContact CD2-CE 4.19Å; L41-M339 HydrophobicContact CD2-SD 3.45Å; L41-M339 WeakPolarHBondContact CD2-SD 3.42Å; L41-M339 HydrophobicContact CG-CE 4.04Å; L41-M339 HydrophobicContact CG-SD 3.63Å |
| 42 | K | 96.4 | Very high | 95.2 | Very high | 95 Ų | 95 | 52.7 Ų | 52.7 | 41% | 0.413 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 130.2 | 177.2 | -179.7 | 167.2 | -176.4 | 166.7 | 0 | 110.9 | Y36 N37 P40 K44 I344 | Y36-K42 CarbonylContact C-O 3.53Å; Y36-K42 VanDerWaalsContact CA-O 3.24Å; Y36-K42 WeakPolarHBondContact CA-O 3.2Å; N37-K42 HydrophobicContact CB-CB 4.26Å; N37-K42 PolarHBondContact N-O 3.37Å; N37-K42 PolarHBondContact O-N 3.17Å; P40-K42 PolarHBondContact O-N 2.83Å; K42-K44 PolarHBondContact O-N 3.05Å; K42-I344 HydrophobicContact CD-CD1 3.83Å; K42-I344 HydrophobicContact CG-CD1 4.01Å |
| 43 | E | 95.8 | Very high | 95.1 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 129 | 170.7 | -163.7 | 171.5 | 88.1 | 0 | 0 | 109.2 | R34 Y36 K46 | R34-E43 WeakPolarHBondContact CD-OE2 3.2Å; R34-E43 IonicContact NH1-OE2 3Å; R34-E43 PolarHBondContact NH1-OE2 2.83Å; Y36-E43 HydrophobicContact CD1-CB 3.79Å; Y36-E43 HydrophobicContact CD1-CG 4.02Å; Y36-E43 HydrophobicContact CE1-CB 3.7Å; Y36-E43 HydrophobicContact CE1-CG 3.67Å; Y36-E43 PolarHBondContact OH-OE2 2.94Å; E43-K46 WeakPolarHBondContact OE1-CB 3.11Å |
| 44 | K | 94.8 | Very high | 95.1 | Very high | 116 Ų | 116 | 52.6 Ų | 52.6 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -36.8 | -176.5 | -75.4 | -56.9 | -55.6 | 166 | 0 | 112.1 | V35 N37 K42 | V35-K44 WeakPolarHBondContact O-CA 3.17Å; V35-K44 WeakPolarHBondContact O-CB 2.88Å; V35-K44 PolarHBondContact O-N 2.86Å; N37-K44 HydrophobicContact CB-CG 4.45Å; N37-K44 WeakPolarHBondContact OD1-CG 3.25Å; K42-K44 PolarHBondContact O-N 3.05Å |
| 45 | E | 94.9 | Very high | 95 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 137.1 | -178.1 | -178 | 58.1 | -151.7 | 0 | 0 | 109.2 | F33 R34 V35 K90 | F33-E45 HydrophobicContact CE2-CG 4.06Å; R34-E45 CarbonylContact C-O 3.57Å; R34-E45 VanDerWaalsContact CA-O 3.29Å; R34-E45 WeakPolarHBondContact CA-O 3.45Å; V35-E45 HydrophobicContact CB-CB 4.05Å; V35-E45 HydrophobicContact CG2-CB 4.29Å; V35-E45 PolarHBondContact N-O 3Å; V35-E45 PolarHBondContact O-N 2.88Å; V35-E45 VanDerWaalsContact O-N 3.15Å; E45-K90 IonicContact OE1-NZ 2.68Å; E45-K90 PolarHBondContact OE1-NZ 3.5Å; E45-K90 IonicContact OE2-NZ 2.75Å; E45-K90 PolarHBondContact OE2-NZ 2.87Å |
| 46 | K | 95.3 | Very high | 95 | Very high | 86 Ų | 86 | 51.5 Ų | 51.5 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 102.7 | 172.7 | 179.4 | 179.2 | 179.9 | -155.6 | 0 | 108.3 | R34 E43 E48 | R34-K46 HydrophobicContact CG-CB 4.49Å; R34-K46 HydrophobicContact CG-CG 4.14Å; E43-K46 WeakPolarHBondContact OE1-CB 3.11Å; K46-E48 WeakPolarHBondContact CE-OE1 3.47Å; K46-E48 HydrophobicContact CG-CG 4.31Å; K46-E48 IonicContact NZ-OE1 2.83Å; K46-E48 PolarHBondContact NZ-OE1 2.78Å; K46-E48 IonicContact NZ-OE2 3.65Å |
| 47 | Q | 95.3 | Very high | 95 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 19% | 0.192 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 108.9 | 176.5 | -177 | 63 | 60 | 0 | 0 | 108.9 | G32 F33 F49 W85 | G32-Q47 WeakPolarHBondContact CA-O 3.29Å; F33-Q47 HydrophobicContact CD1-CB 3.93Å; F33-Q47 HydrophobicContact CD1-CG 4.29Å; F33-Q47 HydrophobicContact CD2-CB 4.41Å; F33-Q47 HydrophobicContact CE1-CB 3.45Å; F33-Q47 VanDerWaalsContact CE1-CB 3.45Å; F33-Q47 HydrophobicContact CE1-CG 3.63Å; F33-Q47 HydrophobicContact CE2-CB 3.95Å; F33-Q47 HydrophobicContact CG-CB 4.39Å; F33-Q47 HydrophobicContact CZ-CB 3.44Å; F33-Q47 VanDerWaalsContact CZ-CB 3.44Å; F33-Q47 HydrophobicContact CZ-CG 3.97Å; F33-Q47 PolarHBondContact N-O 3Å; F33-Q47 PolarHBondContact O-N 3.06Å; Q47-F49 HydrophobicContact CG-CD1 4.2Å; Q47-F49 HydrophobicContact CG-CE1 3.53Å; Q47-F49 HydrophobicContact CG-CZ 4.05Å; Q47-W85 HydrophobicContact CG-CH2 4.23Å; Q47-W85 HydrophobicContact CG-CZ2 3.96Å |
| 48 | E | 93.7 | Very high | 95 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 43% | 0.425 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 140.5 | 171.9 | -67 | -177.4 | 151.2 | 0 | 0 | 110.2 | N31 K46 | N31-E48 PolarHBondContact ND2-OE1 3.2Å; N31-E48 CarbonylContact O-C 3.6Å; N31-E48 WeakPolarHBondContact O-CA 3.37Å; K46-E48 WeakPolarHBondContact CE-OE1 3.47Å; K46-E48 HydrophobicContact CG-CG 4.31Å; K46-E48 IonicContact NZ-OE1 2.83Å; K46-E48 PolarHBondContact NZ-OE1 2.78Å; K46-E48 IonicContact NZ-OE2 3.65Å |
| 49 | F | 91.8 | Very high | 95 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 11% | 0.114 | 25% | 0.247 | C | C | . | . | trans | -106.5 | 146.3 | 174 | -56.9 | -42.4 | 0 | 0 | 0 | 109.4 | N31 F33 Q47 E51 V54 K76 W85 | N31-F49 PolarHBondContact O-N 2.81Å; F33-F49 HydrophobicContact CD1-CZ 4.22Å; F33-F49 HydrophobicContact CE1-CZ 4.21Å; Q47-F49 HydrophobicContact CG-CD1 4.2Å; Q47-F49 HydrophobicContact CG-CE1 3.53Å; Q47-F49 HydrophobicContact CG-CZ 4.05Å; F49-E51 PolarHBondContact O-N 3.16Å; F49-V54 HydrophobicContact CD2-CG2 4.49Å; F49-V54 HydrophobicContact CE2-CG2 3.72Å; F49-K76 HydrophobicContact CB-CD 4.2Å; F49-K76 HydrophobicContact CD2-CB 4.03Å; F49-K76 HydrophobicContact CD2-CD 3.89Å; F49-K76 HydrophobicContact CD2-CG 3.7Å; F49-K76 HydrophobicContact CE2-CB 4.28Å; F49-K76 HydrophobicContact CE2-CD 4.48Å; F49-K76 HydrophobicContact CE2-CG 3.87Å; F49-K76 HydrophobicContact CG-CD 4.06Å; F49-K76 HydrophobicContact CG-CG 4.33Å; F49-W85 HydrophobicContact CE1-CH2 4.31Å; F49-W85 HydrophobicContact CE1-CZ3 4.36Å | ||
| 50 | M | 86.8 | Confident | 94.9 | Very high | 200 Ų | 200 | 50 Ų | 50 | 99% | 0.985 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -56 | -39.6 | 174.4 | -74.1 | -174 | -85.5 | 0 | 0 | 111.9 | ||
| 51 | E | 86.2 | Confident | 94.7 | Very high | 152 Ų | 152 | 47.6 Ų | 47.6 | 71% | 0.71 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -146 | 142.4 | 172.5 | -65.5 | -169.6 | 152.6 | 0 | 0 | 109.7 | F49 K76 | F49-E51 PolarHBondContact O-N 3.16Å; E51-K76 WeakPolarHBondContact O-CD 3.35Å |
| 52 | G | 92.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 53.9 Ų | 53.9 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | trans | 111.4 | 137.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E30 N31 K74 | E30-G52 CarbonylContact O-C 3.5Å; E30-G52 VanDerWaalsContact O-C 3.3Å; N31-G52 CarbonylContact C-O 3.16Å; G52-K74 CarbonylContact C-O 3.56Å; G52-K74 WeakPolarHBondContact CA-O 3.33Å | ||
| 53 | G | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 161.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M29 E30 G71 K74 K76 | M29-G53 CarbonylContact O-C 3.53Å; M29-G53 WeakPolarHBondContact O-CA 3.29Å; E30-G53 VanDerWaalsContact C-CA 3.48Å; E30-G53 WeakPolarHBondContact O-CA 3.3Å; E30-G53 PolarHBondContact O-N 3.18Å; G53-G71 CarbonylContact C-O 3.3Å; G53-G71 WeakPolarHBondContact CA-O 3.5Å; G53-G71 PolarHBondContact O-N 3.39Å; G53-K74 PolarHBondContact N-O 3.18Å; G53-K76 PolarHBondContact O-N 3.47Å |
| 54 | V | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.3 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | G28 M29 G32 F49 H56 V57 L68 V69 | G28-V54 CarbonylContact C-O 3.55Å; G28-V54 WeakPolarHBondContact CA-O 3.46Å; M29-V54 PolarHBondContact N-O 2.93Å; M29-V54 PolarHBondContact O-N 2.82Å; G32-V54 WeakPolarHBondContact O-CB 3.32Å; F49-V54 HydrophobicContact CD2-CG2 4.49Å; F49-V54 HydrophobicContact CE2-CG2 3.72Å; V54-H56 VanDerWaalsContact CG1-O 3.29Å; V54-H56 WeakPolarHBondContact CG1-O 3.26Å; V54-V57 HydrophobicContact CG1-CG2 3.67Å; V54-L68 HydrophobicContact CG1-CB 4.09Å; V54-L68 HydrophobicContact CG1-CD2 4.21Å; V54-V69 WeakPolarHBondContact CG1-O 3.34Å |
| 55 | S | 95.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -7.7 | -176.8 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | L4 Y15 V69 G70 G71 | L4-S55 VanDerWaalsContact CD1-CB 3.46Å; Y15-S55 WeakPolarHBondContact CB-O 3.39Å; S55-V69 PolarHBondContact N-O 3.1Å; S55-V69 PolarHBondContact OG-O 2.96Å; S55-G70 PolarHBondContact OG-O 3.2Å; S55-G71 WeakPolarHBondContact OG-CA 3.22Å; S55-G71 PolarHBondContact OG-N 3.04Å |
| 56 | H | 97.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 50 Ų | 50 | 6% | 0.06 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 132.6 | 174 | -162.5 | 91.5 | 0 | 0 | 0 | 109.5 | Y15 V54 L68 V69 V105 | Y15-H56 AromaticContact CD2-ND1 3.91Å; Y15-H56 AromaticContact CE2-CE1 3.71Å; Y15-H56 AromaticContact CE2-ND1 3.49Å; Y15-H56 WeakPolarHBondContact CE2-ND1 3.38Å; V54-H56 VanDerWaalsContact CG1-O 3.29Å; V54-H56 WeakPolarHBondContact CG1-O 3.26Å; H56-L68 WeakPolarHBondContact O-CA 3.14Å; H56-V69 HydrophobicContact CB-CB 3.9Å; H56-V69 HydrophobicContact CB-CG2 4.09Å; H56-V69 PolarHBondContact N-O 2.83Å; H56-V69 PolarHBondContact O-N 2.69Å; H56-V69 VanDerWaalsContact O-N 3.07Å; H56-V105 PolarHBondContact NE2-N 3.31Å |
| 57 | V | 98.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 111.4 | 176.6 | -173.5 | 0 | 0 | 0 | 0 | 108 | Y15 A26 F33 V54 L66 A67 L68 | Y15-V57 HydrophobicContact CD1-CB 4.37Å; Y15-V57 HydrophobicContact CE1-CB 4.37Å; Y15-V57 WeakPolarHBondContact CE1-O 3.22Å; Y15-V57 PolarHBondContact OH-O 3Å; A26-V57 HydrophobicContact CB-CB 3.92Å; A26-V57 HydrophobicContact CB-CG1 3.55Å; F33-V57 HydrophobicContact CB-CG2 3.88Å; V54-V57 HydrophobicContact CG1-CG2 3.67Å; V57-L66 HydrophobicContact CG1-CD2 4.44Å; V57-A67 WeakPolarHBondContact CA-O 3.49Å; V57-L68 HydrophobicContact CB-CD2 4.35Å; V57-L68 HydrophobicContact CG1-CD2 3.85Å; V57-L68 HydrophobicContact CG2-CD2 4.03Å |
| 58 | E | 98.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.9 | 174.7 | -179.8 | 78.2 | -173.8 | 0 | 0 | 108.9 | L66 A67 V105 K106 L107 | E58-L66 WeakPolarHBondContact O-CA 3.44Å; E58-A67 HydrophobicContact CB-CB 4.28Å; E58-A67 PolarHBondContact N-O 2.86Å; E58-A67 PolarHBondContact O-N 2.9Å; E58-V105 HydrophobicContact CB-CB 4.41Å; E58-V105 WeakPolarHBondContact CB-O 3.44Å; E58-V105 VanDerWaalsContact CD-O 3.22Å; E58-V105 VanDerWaalsContact CG-O 3.22Å; E58-V105 WeakPolarHBondContact CG-O 3.37Å; E58-K106 WeakPolarHBondContact OE1-CD 3.46Å; E58-K106 IonicContact OE1-NZ 2.77Å; E58-K106 PolarHBondContact OE1-NZ 2.92Å; E58-K106 IonicContact OE2-NZ 2.69Å; E58-K106 PolarHBondContact OE2-NZ 2.74Å; E58-L107 HydrophobicContact CG-CB 4.38Å; E58-L107 HydrophobicContact CG-CD1 4.48Å; E58-L107 HydrophobicContact CG-CG 4.01Å |
| 59 | M | 98.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 150.3 | 174.3 | -67 | 166 | -76.7 | 0 | 0 | 110.7 | G17 N19 Q20 C24 A26 V35 L66 | G17-M59 WeakPolarHBondContact O-CE 3.24Å; N19-M59 HydrophobicContact CB-CB 3.97Å; N19-M59 HydrophobicContact CB-CE 3.54Å; N19-M59 HydrophobicContact CB-SD 3.92Å; Q20-M59 PolarHBondContact NE2-O 3.24Å; Q20-M59 PolarHBondContact OE1-O 3.29Å; C24-M59 HydrophobicContact CB-SD 3.97Å; A26-M59 HydrophobicContact CB-CE 3.6Å; A26-M59 HydrophobicContact CB-CG 4.02Å; A26-M59 HydrophobicContact CB-SD 3.83Å; A26-M59 VanDerWaalsContact N-CE 3.29Å; V35-M59 HydrophobicContact CG1-SD 3.92Å; M59-L66 HydrophobicContact CB-CD2 4.14Å; M59-L66 HydrophobicContact CG-CD2 3.5Å |
| 60 | L | 95.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | trans | -101.4 | 88.8 | 162.2 | -179 | 58.6 | 0 | 0 | 0 | 109.5 | R62 C63 Y65 L107 F125 | L60-R62 PolarHBondContact O-N 2.87Å; L60-C63 HydrophobicContact CB-CB 4.44Å; L60-C63 HydrophobicContact CG-CB 4.43Å; L60-C63 WeakPolarHBondContact O-CB 3.4Å; L60-C63 PolarHBondContact O-N 3.11Å; L60-C63 PolarHBondContact O-SG 2.96Å; L60-Y65 PolarHBondContact N-O 3.29Å; L60-L107 HydrophobicContact CB-CB 4.15Å; L60-L107 HydrophobicContact CB-CD1 4.09Å; L60-L107 HydrophobicContact CD1-CB 4.06Å; L60-F125 HydrophobicContact CD2-CE1 4.3Å | ||
| 61 | F | 93.3 | Very high | 95.5 | Very high | 51 Ų | 51 | 29.3 Ų | 29.3 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | -116.7 | -172 | -73.2 | -84.8 | 0 | 0 | 0 | 112 | N19 Q20 P149 | N19-F61 PolarHBondContact ND2-O 3.07Å; Q20-F61 HydrophobicContact CB-CD1 3.9Å; Q20-F61 HydrophobicContact CB-CE1 3.72Å; Q20-F61 HydrophobicContact CB-CE2 4.45Å; Q20-F61 HydrophobicContact CB-CG 4.38Å; Q20-F61 HydrophobicContact CB-CZ 4.06Å; Q20-F61 HydrophobicContact CG-CD2 4.41Å; Q20-F61 HydrophobicContact CG-CE1 4.46Å; Q20-F61 HydrophobicContact CG-CE2 4.34Å; Q20-F61 HydrophobicContact CG-CZ 4.41Å; Q20-F61 VanDerWaalsContact OE1-CA 3.24Å; F61-P149 HydrophobicContact CE1-CB 4.32Å; F61-P149 HydrophobicContact CE2-CB 3.88Å; F61-P149 HydrophobicContact CZ-CB 3.52Å; F61-P149 HydrophobicContact CZ-CG 4.3Å |
| 62 | R | 92.9 | Very high | 95.7 | Very high | 156 Ų | 156 | 23 Ų | 23 | 59% | 0.589 | 12% | 0.117 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | 23.9 | 174.3 | -61.4 | -174 | 173.1 | -157.3 | -5.7 | 110.9 | G23 L60 | G23-R62 PolarHBondContact O-NH2 2.93Å; G23-R62 VanDerWaalsContact O-NH2 3.11Å; L60-R62 PolarHBondContact O-N 2.87Å |
| 63 | C | 92.4 | Very high | 95.7 | Very high | 57 Ų | 57 | 30.7 Ų | 30.7 | 39% | 0.385 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -75.3 | 164.4 | 172.8 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | L60 Y65 | L60-C63 HydrophobicContact CB-CB 4.44Å; L60-C63 HydrophobicContact CG-CB 4.43Å; L60-C63 WeakPolarHBondContact O-CB 3.4Å; L60-C63 PolarHBondContact O-N 3.11Å; L60-C63 PolarHBondContact O-SG 2.96Å; C63-Y65 PolarHBondContact O-N 3.17Å; C63-Y65 VanDerWaalsContact O-N 3.17Å |
| 64 | N | 93.2 | Very high | 95.6 | Very high | 58 Ų | 58 | 38.2 Ų | 38.2 | 31% | 0.31 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -75.8 | 9.6 | 176.9 | 63.1 | -54.4 | 0 | 0 | 0 | 113.7 | D86 D87 L88 | N64-D86 PolarHBondContact ND2-OD1 2.9Å; N64-D86 CarbonylContact O-C 3.53Å; N64-D86 WeakPolarHBondContact O-CA 3.3Å; N64-D87 HydrophobicContact CB-CB 4.29Å; N64-D87 WeakPolarHBondContact O-CB 3.4Å; N64-D87 PolarHBondContact O-N 3.23Å; N64-L88 HydrophobicContact CB-CB 4.3Å |
| 65 | Y | 96.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 41 Ų | 41 | 27% | 0.267 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.8 | 179.1 | -69.1 | -59.9 | 0 | 0 | 0 | 111.6 | L60 C63 I84 W85 D86 V93 F125 | L60-Y65 PolarHBondContact N-O 3.29Å; C63-Y65 PolarHBondContact O-N 3.17Å; C63-Y65 VanDerWaalsContact O-N 3.17Å; Y65-I84 HydrophobicContact CD1-CG2 3.9Å; Y65-I84 HydrophobicContact CG-CG2 4.44Å; Y65-W85 WeakPolarHBondContact CA-O 3.27Å; Y65-D86 HydrophobicContact CD1-CB 4.29Å; Y65-D86 HydrophobicContact CE1-CB 3.87Å; Y65-V93 HydrophobicContact CD1-CG2 4.38Å; Y65-V93 HydrophobicContact CE1-CG2 3.93Å; Y65-F125 HydrophobicContact CD2-CE2 4.21Å; Y65-F125 HydrophobicContact CD2-CZ 4.2Å; Y65-F125 HydrophobicContact CG-CE2 4.3Å; Y65-F125 AromaticContact CG-CZ 3.99Å; Y65-F125 HydrophobicContact CG-CZ 3.99Å |
| 66 | L | 97.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.7 | 173.3 | -55.6 | 170 | 0 | 0 | 0 | 108.6 | F33 V35 V57 E58 M59 L68 I84 W85 | F33-L66 HydrophobicContact CD2-CD1 4.01Å; F33-L66 HydrophobicContact CE2-CD1 3.32Å; F33-L66 HydrophobicContact CZ-CD1 3.66Å; V35-L66 HydrophobicContact CG2-CD1 4.34Å; V57-L66 HydrophobicContact CG1-CD2 4.44Å; E58-L66 WeakPolarHBondContact O-CA 3.44Å; M59-L66 HydrophobicContact CB-CD2 4.14Å; M59-L66 HydrophobicContact CG-CD2 3.5Å; L66-L68 HydrophobicContact CB-CD2 4.08Å; L66-I84 CarbonylContact O-C 3.54Å; L66-I84 WeakPolarHBondContact O-CA 3.32Å; L66-W85 HydrophobicContact CB-CB 4.29Å; L66-W85 PolarHBondContact N-O 3.17Å; L66-W85 PolarHBondContact O-N 2.9Å |
| 67 | A | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V57 E58 V82 M83 I84 V105 L107 | V57-A67 WeakPolarHBondContact CA-O 3.49Å; E58-A67 HydrophobicContact CB-CB 4.28Å; E58-A67 PolarHBondContact N-O 2.86Å; E58-A67 PolarHBondContact O-N 2.9Å; A67-V82 HydrophobicContact CB-CG1 4.25Å; A67-M83 WeakPolarHBondContact CA-O 3.33Å; A67-I84 HydrophobicContact CB-CD1 3.72Å; A67-V105 HydrophobicContact CB-CB 4.05Å; A67-V105 HydrophobicContact CB-CG1 3.58Å; A67-V105 HydrophobicContact CB-CG2 4.5Å; A67-L107 HydrophobicContact CB-CD1 3.84Å; A67-L107 HydrophobicContact CB-CD2 4.13Å; A67-L107 HydrophobicContact CB-CG 4.14Å |
| 68 | L | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 138.9 | -178.3 | -48.7 | 179 | 0 | 0 | 0 | 109.9 | F33 V54 H56 V57 L66 Y77 M83 W85 | F33-L68 HydrophobicContact CD1-CD1 4.06Å; F33-L68 HydrophobicContact CD1-CD2 4.13Å; F33-L68 HydrophobicContact CE1-CD1 3.94Å; F33-L68 HydrophobicContact CE1-CD2 4.43Å; F33-L68 HydrophobicContact CG-CD2 4.42Å; V54-L68 HydrophobicContact CG1-CB 4.09Å; V54-L68 HydrophobicContact CG1-CD2 4.21Å; H56-L68 WeakPolarHBondContact O-CA 3.14Å; V57-L68 HydrophobicContact CB-CD2 4.35Å; V57-L68 HydrophobicContact CG1-CD2 3.85Å; V57-L68 HydrophobicContact CG2-CD2 4.03Å; L66-L68 HydrophobicContact CB-CD2 4.08Å; L68-Y77 HydrophobicContact CD1-CE2 4.37Å; L68-M83 HydrophobicContact CB-CB 4.33Å; L68-M83 PolarHBondContact N-O 2.97Å; L68-M83 PolarHBondContact O-N 2.94Å; L68-W85 HydrophobicContact CD1-CB 3.76Å; L68-W85 HydrophobicContact CD1-CD2 4.44Å; L68-W85 HydrophobicContact CD1-CE3 4.44Å; L68-W85 HydrophobicContact CD1-CG 4.2Å; L68-W85 HydrophobicContact CG-CB 4.13Å |
| 69 | V | 98.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130.3 | 166.6 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | V54 S55 H56 V82 V102 V105 | V54-V69 WeakPolarHBondContact CG1-O 3.34Å; S55-V69 PolarHBondContact N-O 3.1Å; S55-V69 PolarHBondContact OG-O 2.96Å; H56-V69 HydrophobicContact CB-CB 3.9Å; H56-V69 HydrophobicContact CB-CG2 4.09Å; H56-V69 PolarHBondContact N-O 2.83Å; H56-V69 PolarHBondContact O-N 2.69Å; H56-V69 VanDerWaalsContact O-N 3.07Å; V69-V82 HydrophobicContact CG2-CG2 4.38Å; V69-V102 HydrophobicContact CG1-CB 4.09Å; V69-V102 HydrophobicContact CG2-CB 4.1Å; V69-V102 HydrophobicContact CG2-CG1 3.74Å; V69-V105 HydrophobicContact CG2-CG2 3.93Å |
| 70 | G | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 145.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | S55 Y77 | S55-G70 PolarHBondContact OG-O 3.2Å; G70-Y77 WeakPolarHBondContact CA-O 3.3Å |
| 71 | G | 93.2 | Very high | 95.4 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | trans | -173.3 | -166.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G53 S55 P75 | G53-G71 CarbonylContact C-O 3.3Å; G53-G71 WeakPolarHBondContact CA-O 3.5Å; G53-G71 PolarHBondContact O-N 3.39Å; S55-G71 WeakPolarHBondContact OG-CA 3.22Å; S55-G71 PolarHBondContact OG-N 3.04Å; G71-P75 WeakPolarHBondContact O-CA 3.08Å | ||
| 72 | G | 91.2 | Very high | 95.7 | Very high | 21 Ų | 21 | 50.3 Ų | 50.3 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 81.1 | -172.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112 | K74 | G72-K74 VanDerWaalsContact C-N 3.27Å; G72-K74 PolarHBondContact O-N 2.78Å |
| 73 | K | 91 | Very high | 96 | Very high | 168 Ų | 168 | 43.3 Ų | 43.3 | 73% | 0.73 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -63 | -32.8 | -175.4 | -64.5 | 176.3 | -176.2 | 168.1 | 0 | 113.4 | ||
| 74 | K | 93.4 | Very high | 96.2 | Very high | 158 Ų | 158 | 40.6 Ų | 40.6 | 69% | 0.687 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -131.8 | 93.3 | 176.7 | -67.1 | -175.5 | 179.1 | -175.5 | 0 | 107.4 | G52 G53 G72 | G52-K74 CarbonylContact C-O 3.56Å; G52-K74 WeakPolarHBondContact CA-O 3.33Å; G53-K74 PolarHBondContact N-O 3.18Å; G72-K74 VanDerWaalsContact C-N 3.27Å; G72-K74 PolarHBondContact O-N 2.78Å |
| 75 | P | 95.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 38% | 0.383 | 19% | 0.192 | S | C | . | . | B | Isolated β-bridge | trans | -77.6 | 142 | -174.9 | 32.9 | -37.6 | 0 | 0 | 0 | 111.8 | G71 Y77 | G71-P75 WeakPolarHBondContact O-CA 3.08Å; P75-Y77 VanDerWaalsContact C-N 3.32Å; P75-Y77 WeakPolarHBondContact CB-O 3.17Å |
| 76 | K | 96.2 | Very high | 96.5 | Very high | 87 Ų | 87 | 35.3 Ų | 35.3 | 38% | 0.378 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -66.1 | -37.8 | 176.4 | 178.2 | 63.9 | -177.1 | 175.2 | 0 | 112.4 | F49 E51 G53 | F49-K76 HydrophobicContact CB-CD 4.2Å; F49-K76 HydrophobicContact CD2-CB 4.03Å; F49-K76 HydrophobicContact CD2-CD 3.89Å; F49-K76 HydrophobicContact CD2-CG 3.7Å; F49-K76 HydrophobicContact CE2-CB 4.28Å; F49-K76 HydrophobicContact CE2-CD 4.48Å; F49-K76 HydrophobicContact CE2-CG 3.87Å; F49-K76 HydrophobicContact CG-CD 4.06Å; F49-K76 HydrophobicContact CG-CG 4.33Å; E51-K76 WeakPolarHBondContact O-CD 3.35Å; G53-K76 PolarHBondContact O-N 3.47Å |
| 77 | Y | 95.9 | Very high | 96.2 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 12% | 0.122 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -126.2 | 153.4 | -179.3 | -52.3 | -70.9 | 0 | 0 | 0 | 108.7 | L68 G70 P75 M83 T92 | L68-Y77 HydrophobicContact CD1-CE2 4.37Å; G70-Y77 WeakPolarHBondContact CA-O 3.3Å; P75-Y77 VanDerWaalsContact C-N 3.32Å; P75-Y77 WeakPolarHBondContact CB-O 3.17Å; Y77-M83 HydrophobicContact CD1-CE 3.75Å; Y77-M83 HydrophobicContact CD1-CG 3.64Å; Y77-M83 HydrophobicContact CD1-SD 4.06Å; Y77-M83 HydrophobicContact CD2-CB 4.43Å; Y77-M83 HydrophobicContact CD2-CG 3.63Å; Y77-M83 HydrophobicContact CE1-CE 3.77Å; Y77-M83 HydrophobicContact CE1-CG 3.92Å; Y77-M83 HydrophobicContact CE1-SD 4.5Å; Y77-M83 HydrophobicContact CE2-CB 4.33Å; Y77-M83 HydrophobicContact CE2-CG 3.92Å; Y77-M83 HydrophobicContact CG-CG 3.48Å; Y77-M83 VanDerWaalsContact CG-CG 3.48Å; Y77-M83 HydrophobicContact CG-SD 4.29Å; Y77-T92 PolarHBondContact OH-OG1 2.8Å |
| 78 | P | 96.9 | Very high | 96 | Very high | 58 Ų | 58 | 43.4 Ų | 43.4 | 38% | 0.377 | 22% | 0.223 | S | C | . | . | trans | -54.7 | 139.1 | 171 | -25.6 | 35 | 0 | 0 | 0 | 111.8 | N80 K81 | P78-N80 WeakPolarHBondContact CB-OD1 3.17Å; P78-N80 PolarHBondContact O-N 2.83Å; P78-N80 VanDerWaalsContact O-N 3.13Å; P78-K81 HydrophobicContact CB-CB 4.5Å; P78-K81 HydrophobicContact CB-CD 4.23Å; P78-K81 HydrophobicContact CB-CG 4.06Å; P78-K81 HydrophobicContact CG-CD 3.93Å; P78-K81 HydrophobicContact CG-CG 4.32Å; P78-K81 PolarHBondContact O-N 2.83Å | ||
| 79 | P | 96.5 | Very high | 95.8 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11 | -176.9 | 28.3 | -35.7 | 0 | 0 | 0 | 113.6 | E101 V102 | P79-E101 HydrophobicContact CB-CG 4.34Å; P79-E101 HydrophobicContact CG-CG 4.39Å; P79-V102 PolarHBondContact O-N 3.34Å |
| 80 | N | 97.9 | Very high | 95.6 | Very high | 37 Ų | 37 | 53 Ų | 53 | 20% | 0.198 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 10.2 | 172.3 | 69.1 | -43.9 | 0 | 0 | 0 | 113 | P78 F98 T100 | P78-N80 WeakPolarHBondContact CB-OD1 3.17Å; P78-N80 PolarHBondContact O-N 2.83Å; P78-N80 VanDerWaalsContact O-N 3.13Å; N80-F98 WeakPolarHBondContact CB-O 3.28Å; N80-F98 PolarHBondContact ND2-O 3.1Å; N80-F98 WeakPolarHBondContact O-CB 2.93Å; N80-F98 WeakPolarHBondContact O-CD2 3.46Å; N80-F98 PolarHBondContact O-N 2.83Å; N80-T100 WeakPolarHBondContact CA-O 2.91Å; N80-T100 VanDerWaalsContact CB-O 3.23Å; N80-T100 WeakPolarHBondContact CB-O 3.34Å |
| 81 | K | 98.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 13% | 0.13 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 138.9 | 177.8 | -67.4 | -168.3 | 176.9 | -155.5 | 0 | 112.1 | P78 M83 E95 I96 E97 | P78-K81 HydrophobicContact CB-CB 4.5Å; P78-K81 HydrophobicContact CB-CD 4.23Å; P78-K81 HydrophobicContact CB-CG 4.06Å; P78-K81 HydrophobicContact CG-CD 3.93Å; P78-K81 HydrophobicContact CG-CG 4.32Å; P78-K81 PolarHBondContact O-N 2.83Å; K81-M83 HydrophobicContact CB-SD 4.18Å; K81-E95 HydrophobicContact CD-CG 4.32Å; K81-E95 VanDerWaalsContact CD-OE1 3.24Å; K81-E95 WeakPolarHBondContact CD-OE1 3.42Å; K81-E95 WeakPolarHBondContact CE-OE1 3.18Å; K81-E95 IonicContact NZ-OE1 3.49Å; K81-E95 PolarHBondContact NZ-OE1 2.97Å; K81-I96 WeakPolarHBondContact CA-O 3.44Å; K81-E97 HydrophobicContact CD-CB 4.44Å; K81-E97 WeakPolarHBondContact CE-OE2 3.35Å; K81-E97 HydrophobicContact CG-CB 4.09Å; K81-E97 HydrophobicContact CG-CG 4.1Å; K81-E97 IonicContact NZ-OE2 3.38Å; K81-E97 PolarHBondContact NZ-OE2 2.82Å |
| 82 | V | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.5 | 168.3 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | A67 V69 I84 E95 I96 F98 V102 V105 V114 | A67-V82 HydrophobicContact CB-CG1 4.25Å; V69-V82 HydrophobicContact CG2-CG2 4.38Å; V82-I84 HydrophobicContact CG1-CD1 4.12Å; V82-E95 WeakPolarHBondContact O-CA 3.44Å; V82-I96 PolarHBondContact N-O 2.85Å; V82-I96 PolarHBondContact O-N 2.86Å; V82-F98 HydrophobicContact CB-CE2 4.34Å; V82-F98 HydrophobicContact CG2-CD2 4.43Å; V82-F98 HydrophobicContact CG2-CE2 3.79Å; V82-V102 HydrophobicContact CG2-CB 4.43Å; V82-V102 HydrophobicContact CG2-CG1 3.96Å; V82-V102 HydrophobicContact CG2-CG2 3.86Å; V82-V105 HydrophobicContact CG1-CG1 4.34Å; V82-V105 HydrophobicContact CG1-CG2 4Å; V82-V105 HydrophobicContact CG2-CG2 3.69Å; V82-V114 HydrophobicContact CG2-CG1 3.95Å; V82-V114 HydrophobicContact CG2-CG2 3.98Å |
| 83 | M | 98.4 | Very high | 96 | Very high | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.044 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.7 | 176.6 | -48.2 | -53.4 | -79.8 | 0 | 0 | 109 | A67 L68 Y77 K81 T92 E95 | A67-M83 WeakPolarHBondContact CA-O 3.33Å; L68-M83 HydrophobicContact CB-CB 4.33Å; L68-M83 PolarHBondContact N-O 2.97Å; L68-M83 PolarHBondContact O-N 2.94Å; Y77-M83 HydrophobicContact CD1-CE 3.75Å; Y77-M83 HydrophobicContact CD1-CG 3.64Å; Y77-M83 HydrophobicContact CD1-SD 4.06Å; Y77-M83 HydrophobicContact CD2-CB 4.43Å; Y77-M83 HydrophobicContact CD2-CG 3.63Å; Y77-M83 HydrophobicContact CE1-CE 3.77Å; Y77-M83 HydrophobicContact CE1-CG 3.92Å; Y77-M83 HydrophobicContact CE1-SD 4.5Å; Y77-M83 HydrophobicContact CE2-CB 4.33Å; Y77-M83 HydrophobicContact CE2-CG 3.92Å; Y77-M83 HydrophobicContact CG-CG 3.48Å; Y77-M83 VanDerWaalsContact CG-CG 3.48Å; Y77-M83 HydrophobicContact CG-SD 4.29Å; K81-M83 HydrophobicContact CB-SD 4.18Å; M83-T92 HydrophobicContact CB-CG2 3.79Å; M83-T92 HydrophobicContact CE-CG2 3.66Å; M83-E95 HydrophobicContact CE-CB 4.04Å; M83-E95 HydrophobicContact CE-CG 3.87Å; M83-E95 WeakPolarHBondContact CE-OE2 3.11Å; M83-E95 HydrophobicContact SD-CB 4.15Å; M83-E95 HydrophobicContact SD-CG 3.7Å |
| 84 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 112.4 | 169 | -50.6 | -58.9 | 0 | 0 | 0 | 108.2 | Y65 L66 A67 V82 T92 V93 I94 L107 I112 F125 | Y65-I84 HydrophobicContact CD1-CG2 3.9Å; Y65-I84 HydrophobicContact CG-CG2 4.44Å; L66-I84 CarbonylContact O-C 3.54Å; L66-I84 WeakPolarHBondContact O-CA 3.32Å; A67-I84 HydrophobicContact CB-CD1 3.72Å; V82-I84 HydrophobicContact CG1-CD1 4.12Å; I84-T92 CarbonylContact O-C 3.5Å; I84-T92 WeakPolarHBondContact O-CA 3.45Å; I84-T92 WeakPolarHBondContact O-CG2 3.29Å; I84-V93 HydrophobicContact CB-CG2 4.37Å; I84-V93 HydrophobicContact CG2-CG2 4.15Å; I84-V93 WeakPolarHBondContact O-CG2 3.13Å; I84-V93 PolarHBondContact O-N 3.18Å; I84-I94 HydrophobicContact CB-CB 3.8Å; I84-I94 HydrophobicContact CB-CD1 4.26Å; I84-I94 HydrophobicContact CB-CG1 4.35Å; I84-I94 HydrophobicContact CG1-CB 3.75Å; I84-I94 HydrophobicContact CG1-CD1 4.11Å; I84-I94 HydrophobicContact CG1-CG1 4.45Å; I84-I94 HydrophobicContact CG1-CG2 4.12Å; I84-I94 HydrophobicContact CG2-CD1 4.46Å; I84-I94 PolarHBondContact N-O 3.46Å; I84-I94 PolarHBondContact O-N 3.47Å; I84-L107 HydrophobicContact CD1-CD2 4.33Å; I84-I112 HydrophobicContact CD1-CD1 4.14Å; I84-I112 HydrophobicContact CG1-CD1 4.09Å; I84-F125 HydrophobicContact CG2-CE2 4.42Å; I84-F125 HydrophobicContact CG2-CZ 3.85Å |
| 85 | W | 97.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 51.1 Ų | 51.1 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.9 | 177.6 | 178.1 | -92.4 | 0 | 0 | 0 | 110.6 | F33 Q47 F49 Y65 L66 L68 D87 K90 K91 | F33-W85 HydrophobicContact CE1-CD2 4.4Å; F33-W85 AromaticContact CZ-CD1 3.91Å; F33-W85 HydrophobicContact CZ-CG 4.42Å; F33-W85 AromaticContact CZ-NE1 3.65Å; Q47-W85 HydrophobicContact CG-CH2 4.23Å; Q47-W85 HydrophobicContact CG-CZ2 3.96Å; F49-W85 HydrophobicContact CE1-CH2 4.31Å; F49-W85 HydrophobicContact CE1-CZ3 4.36Å; Y65-W85 WeakPolarHBondContact CA-O 3.27Å; L66-W85 HydrophobicContact CB-CB 4.29Å; L66-W85 PolarHBondContact N-O 3.17Å; L66-W85 PolarHBondContact O-N 2.9Å; L68-W85 HydrophobicContact CD1-CB 3.76Å; L68-W85 HydrophobicContact CD1-CD2 4.44Å; L68-W85 HydrophobicContact CD1-CE3 4.44Å; L68-W85 HydrophobicContact CD1-CG 4.2Å; L68-W85 HydrophobicContact CG-CB 4.13Å; W85-D87 PolarHBondContact NE1-OD1 2.77Å; W85-K90 HydrophobicContact CH2-CB 4.44Å; W85-K90 WeakPolarHBondContact CH2-O 3.45Å; W85-K90 VanDerWaalsContact CZ2-CA 3.4Å; W85-K90 HydrophobicContact CZ2-CB 3.98Å; W85-K90 HydrophobicContact CZ2-CD 4.24Å; W85-K91 VanDerWaalsContact CE3-C 3.47Å |
| 86 | D | 96.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 107 | 168.9 | -174.4 | -26.2 | 0 | 0 | 0 | 108.4 | N64 Y65 L88 K89 K90 K91 V93 | N64-D86 PolarHBondContact ND2-OD1 2.9Å; N64-D86 CarbonylContact O-C 3.53Å; N64-D86 WeakPolarHBondContact O-CA 3.3Å; Y65-D86 HydrophobicContact CD1-CB 4.29Å; Y65-D86 HydrophobicContact CE1-CB 3.87Å; D86-L88 VanDerWaalsContact C-N 3.29Å; D86-L88 PolarHBondContact O-N 2.9Å; D86-L88 WeakPolarHBondContact OD1-CB 3.48Å; D86-L88 PolarHBondContact OD1-N 2.88Å; D86-K89 HydrophobicContact CB-CB 4.16Å; D86-K89 HydrophobicContact CB-CD 4.49Å; D86-K89 HydrophobicContact CB-CG 4.49Å; D86-K89 CarbonylContact O-C 3.52Å; D86-K89 PolarHBondContact O-N 3.12Å; D86-K89 PolarHBondContact OD1-N 2.77Å; D86-K89 VanDerWaalsContact OD2-CD 3.24Å; D86-K89 WeakPolarHBondContact OD2-CD 3.39Å; D86-K89 VanDerWaalsContact OD2-CE 3.31Å; D86-K89 WeakPolarHBondContact OD2-CE 3.28Å; D86-K89 IonicContact OD2-NZ 3.29Å; D86-K89 PolarHBondContact OD2-NZ 3.41Å; D86-K90 WeakPolarHBondContact O-CA 3.47Å; D86-K90 PolarHBondContact O-N 3.28Å; D86-K91 PolarHBondContact N-O 2.98Å; D86-K91 PolarHBondContact O-N 2.89Å; D86-V93 HydrophobicContact CB-CG1 3.55Å; D86-V93 HydrophobicContact CB-CG2 4.11Å |
| 87 | D | 92.8 | Very high | 96.8 | Very high | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.193 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.8 | -175.7 | -166.8 | 53.6 | 0 | 0 | 0 | 113.3 | N64 W85 K90 | N64-D87 HydrophobicContact CB-CB 4.29Å; N64-D87 WeakPolarHBondContact O-CB 3.4Å; N64-D87 PolarHBondContact O-N 3.23Å; W85-D87 PolarHBondContact NE1-OD1 2.77Å; D87-K90 VanDerWaalsContact CG-NZ 3.29Å; D87-K90 WeakPolarHBondContact O-CD 3.44Å; D87-K90 WeakPolarHBondContact O-CE 3.47Å; D87-K90 PolarHBondContact O-NZ 3.19Å; D87-K90 IonicContact OD1-NZ 2.73Å; D87-K90 PolarHBondContact OD1-NZ 2.76Å; D87-K90 IonicContact OD2-NZ 2.93Å; D87-K90 PolarHBondContact OD2-NZ 2.98Å |
| 88 | L | 93.3 | Very high | 96.9 | Very high | 144 Ų | 144 | 50 Ų | 50 | 75% | 0.754 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -40.1 | 172.8 | -170.8 | 84.8 | 0 | 0 | 0 | 110.5 | N64 D86 | N64-L88 HydrophobicContact CB-CB 4.3Å; D86-L88 VanDerWaalsContact C-N 3.29Å; D86-L88 PolarHBondContact O-N 2.9Å; D86-L88 WeakPolarHBondContact OD1-CB 3.48Å; D86-L88 PolarHBondContact OD1-N 2.88Å |
| 89 | K | 94.9 | Very high | 96.8 | Very high | 121 Ų | 121 | 52.7 Ų | 52.7 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -7 | -178.5 | -62.3 | 179.6 | -170 | 154.6 | 0 | 113.6 | D86 K91 | D86-K89 HydrophobicContact CB-CB 4.16Å; D86-K89 HydrophobicContact CB-CD 4.49Å; D86-K89 HydrophobicContact CB-CG 4.49Å; D86-K89 CarbonylContact O-C 3.52Å; D86-K89 PolarHBondContact O-N 3.12Å; D86-K89 PolarHBondContact OD1-N 2.77Å; D86-K89 VanDerWaalsContact OD2-CD 3.24Å; D86-K89 WeakPolarHBondContact OD2-CD 3.39Å; D86-K89 VanDerWaalsContact OD2-CE 3.31Å; D86-K89 WeakPolarHBondContact OD2-CE 3.28Å; D86-K89 IonicContact OD2-NZ 3.29Å; D86-K89 PolarHBondContact OD2-NZ 3.41Å; K89-K91 VanDerWaalsContact C-N 3.25Å; K89-K91 HydrophobicContact CB-CD 4.44Å; K89-K91 HydrophobicContact CB-CG 3.94Å; K89-K91 PolarHBondContact O-N 3.17Å |
| 90 | K | 94.1 | Very high | 96.8 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 45.5 | -174.8 | -56.7 | -65.1 | 177 | -172.1 | 0 | 112.7 | E45 W85 D86 D87 | E45-K90 IonicContact OE1-NZ 2.68Å; E45-K90 PolarHBondContact OE1-NZ 3.5Å; E45-K90 IonicContact OE2-NZ 2.75Å; E45-K90 PolarHBondContact OE2-NZ 2.87Å; W85-K90 HydrophobicContact CH2-CB 4.44Å; W85-K90 WeakPolarHBondContact CH2-O 3.45Å; W85-K90 VanDerWaalsContact CZ2-CA 3.4Å; W85-K90 HydrophobicContact CZ2-CB 3.98Å; W85-K90 HydrophobicContact CZ2-CD 4.24Å; D86-K90 WeakPolarHBondContact O-CA 3.47Å; D86-K90 PolarHBondContact O-N 3.28Å; D87-K90 VanDerWaalsContact CG-NZ 3.29Å; D87-K90 WeakPolarHBondContact O-CD 3.44Å; D87-K90 WeakPolarHBondContact O-CE 3.47Å; D87-K90 PolarHBondContact O-NZ 3.19Å; D87-K90 IonicContact OD1-NZ 2.73Å; D87-K90 PolarHBondContact OD1-NZ 2.76Å; D87-K90 IonicContact OD2-NZ 2.93Å; D87-K90 PolarHBondContact OD2-NZ 2.98Å |
| 91 | K | 95.2 | Very high | 96.7 | Very high | 115 Ų | 115 | 56.2 Ų | 56.2 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 157.7 | 178.5 | 71.8 | 179.6 | -174.1 | 174.7 | 0 | 113 | W85 D86 K89 V93 | W85-K91 VanDerWaalsContact CE3-C 3.47Å; D86-K91 PolarHBondContact N-O 2.98Å; D86-K91 PolarHBondContact O-N 2.89Å; K89-K91 VanDerWaalsContact C-N 3.25Å; K89-K91 HydrophobicContact CB-CD 4.44Å; K89-K91 HydrophobicContact CB-CG 3.94Å; K89-K91 PolarHBondContact O-N 3.17Å; K91-V93 HydrophobicContact CG-CG1 4.32Å |
| 92 | T | 96.6 | Very high | 96.7 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 132.8 | 166.8 | -52.7 | 0 | 0 | 0 | 0 | 110.5 | Y77 M83 I84 I94 | Y77-T92 PolarHBondContact OH-OG1 2.8Å; M83-T92 HydrophobicContact CB-CG2 3.79Å; M83-T92 HydrophobicContact CE-CG2 3.66Å; I84-T92 CarbonylContact O-C 3.5Å; I84-T92 WeakPolarHBondContact O-CA 3.45Å; I84-T92 WeakPolarHBondContact O-CG2 3.29Å; T92-I94 VanDerWaalsContact CG2-O 3.24Å; T92-I94 WeakPolarHBondContact CG2-O 3.36Å |
| 93 | V | 97.6 | Very high | 96.7 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 24% | 0.242 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -21.3 | 179.6 | -67.5 | 0 | 0 | 0 | 0 | 113.8 | Y65 I84 D86 K91 | Y65-V93 HydrophobicContact CD1-CG2 4.38Å; Y65-V93 HydrophobicContact CE1-CG2 3.93Å; I84-V93 HydrophobicContact CB-CG2 4.37Å; I84-V93 HydrophobicContact CG2-CG2 4.15Å; I84-V93 WeakPolarHBondContact O-CG2 3.13Å; I84-V93 PolarHBondContact O-N 3.18Å; D86-V93 HydrophobicContact CB-CG1 3.55Å; D86-V93 HydrophobicContact CB-CG2 4.11Å; K91-V93 HydrophobicContact CG-CG1 4.32Å |
| 94 | I | 98.2 | Very high | 96.7 | Very high | 13 Ų | 13 | 56.9 Ų | 56.9 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.8 | 176 | -58.7 | 165.1 | 0 | 0 | 0 | 108 | I84 T92 I96 F125 T126 P129 | I84-I94 HydrophobicContact CB-CB 3.8Å; I84-I94 HydrophobicContact CB-CD1 4.26Å; I84-I94 HydrophobicContact CB-CG1 4.35Å; I84-I94 HydrophobicContact CG1-CB 3.75Å; I84-I94 HydrophobicContact CG1-CD1 4.11Å; I84-I94 HydrophobicContact CG1-CG1 4.45Å; I84-I94 HydrophobicContact CG1-CG2 4.12Å; I84-I94 HydrophobicContact CG2-CD1 4.46Å; I84-I94 PolarHBondContact N-O 3.46Å; I84-I94 PolarHBondContact O-N 3.47Å; T92-I94 VanDerWaalsContact CG2-O 3.24Å; T92-I94 WeakPolarHBondContact CG2-O 3.36Å; I94-I96 HydrophobicContact CG2-CD1 4.36Å; I94-I96 HydrophobicContact CG2-CG1 3.95Å; I94-F125 HydrophobicContact CD1-CE2 4.48Å; I94-T126 VanDerWaalsContact CD1-O 3.28Å; I94-T126 WeakPolarHBondContact CD1-O 3.28Å; I94-P129 HydrophobicContact CD1-CG 4.38Å; I94-P129 HydrophobicContact CG2-CG 3.34Å |
| 95 | E | 98.2 | Very high | 96.7 | Very high | 106 Ų | 106 | 56.9 Ų | 56.9 | 50% | 0.495 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.7 | 173.3 | 178.3 | 171.2 | 158.2 | 0 | 0 | 108.8 | K81 V82 M83 | K81-E95 HydrophobicContact CD-CG 4.32Å; K81-E95 VanDerWaalsContact CD-OE1 3.24Å; K81-E95 WeakPolarHBondContact CD-OE1 3.42Å; K81-E95 WeakPolarHBondContact CE-OE1 3.18Å; K81-E95 IonicContact NZ-OE1 3.49Å; K81-E95 PolarHBondContact NZ-OE1 2.97Å; V82-E95 WeakPolarHBondContact O-CA 3.44Å; M83-E95 HydrophobicContact CE-CB 4.04Å; M83-E95 HydrophobicContact CE-CG 3.87Å; M83-E95 WeakPolarHBondContact CE-OE2 3.11Å; M83-E95 HydrophobicContact SD-CB 4.15Å; M83-E95 HydrophobicContact SD-CG 3.7Å |
| 96 | I | 98.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.5 | 175.9 | -45.5 | 177.1 | 0 | 0 | 0 | 108.3 | K81 V82 I94 F98 I112 F123 P129 | K81-I96 WeakPolarHBondContact CA-O 3.44Å; V82-I96 PolarHBondContact N-O 2.85Å; V82-I96 PolarHBondContact O-N 2.86Å; I94-I96 HydrophobicContact CG2-CD1 4.36Å; I94-I96 HydrophobicContact CG2-CG1 3.95Å; I96-F98 HydrophobicContact CB-CE2 3.87Å; I96-F98 HydrophobicContact CB-CZ 4.13Å; I96-F98 HydrophobicContact CG2-CD2 4.5Å; I96-F98 HydrophobicContact CG2-CE1 4.26Å; I96-F98 HydrophobicContact CG2-CE2 3.57Å; I96-F98 HydrophobicContact CG2-CZ 3.41Å; I96-F98 VanDerWaalsContact CG2-CZ 3.41Å; I96-I112 HydrophobicContact CD1-CD1 4.25Å; I96-I112 HydrophobicContact CD1-CG2 4.46Å; I96-F123 HydrophobicContact CD1-CG 4.41Å; I96-F123 HydrophobicContact CG2-CE1 4.2Å; I96-F123 HydrophobicContact CG2-CZ 4.13Å; I96-P129 HydrophobicContact CD1-CB 3.93Å; I96-P129 HydrophobicContact CD1-CG 3.88Å; I96-P129 HydrophobicContact CG1-CG 4.21Å |
| 97 | E | 98.2 | Very high | 96.7 | Very high | 124 Ų | 124 | 58.3 Ų | 58.3 | 58% | 0.579 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140 | -179.3 | -178.5 | 164.5 | -169.8 | 0 | 0 | 111.8 | K81 | K81-E97 HydrophobicContact CD-CB 4.44Å; K81-E97 WeakPolarHBondContact CE-OE2 3.35Å; K81-E97 HydrophobicContact CG-CB 4.09Å; K81-E97 HydrophobicContact CG-CG 4.1Å; K81-E97 IonicContact NZ-OE2 3.38Å; K81-E97 PolarHBondContact NZ-OE2 2.82Å |
| 98 | F | 98.2 | Very high | 96.8 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | trans | -123.2 | 159.4 | -179.6 | -60.5 | -88 | 0 | 0 | 0 | 110.6 | N80 V82 I96 T100 V102 V114 L116 K121 F123 | N80-F98 WeakPolarHBondContact CB-O 3.28Å; N80-F98 PolarHBondContact ND2-O 3.1Å; N80-F98 WeakPolarHBondContact O-CB 2.93Å; N80-F98 WeakPolarHBondContact O-CD2 3.46Å; N80-F98 PolarHBondContact O-N 2.83Å; V82-F98 HydrophobicContact CB-CE2 4.34Å; V82-F98 HydrophobicContact CG2-CD2 4.43Å; V82-F98 HydrophobicContact CG2-CE2 3.79Å; I96-F98 HydrophobicContact CB-CE2 3.87Å; I96-F98 HydrophobicContact CB-CZ 4.13Å; I96-F98 HydrophobicContact CG2-CD2 4.5Å; I96-F98 HydrophobicContact CG2-CE1 4.26Å; I96-F98 HydrophobicContact CG2-CE2 3.57Å; I96-F98 HydrophobicContact CG2-CZ 3.41Å; I96-F98 VanDerWaalsContact CG2-CZ 3.41Å; F98-T100 VanDerWaalsContact C-N 3.3Å; F98-V102 HydrophobicContact CD2-CG2 3.73Å; F98-V102 HydrophobicContact CE2-CG2 4.29Å; F98-V102 HydrophobicContact CG-CG2 4.34Å; F98-V114 HydrophobicContact CD2-CG1 4.26Å; F98-V114 HydrophobicContact CE1-CB 4.17Å; F98-V114 HydrophobicContact CE1-CG1 4.03Å; F98-V114 HydrophobicContact CE1-CG2 4.49Å; F98-V114 HydrophobicContact CE2-CB 4.3Å; F98-V114 HydrophobicContact CE2-CG1 3.73Å; F98-V114 HydrophobicContact CE2-CG2 4.1Å; F98-V114 HydrophobicContact CZ-CB 3.74Å; F98-V114 HydrophobicContact CZ-CG1 3.61Å; F98-V114 HydrophobicContact CZ-CG2 3.63Å; F98-L116 HydrophobicContact CB-CD2 4.19Å; F98-L116 HydrophobicContact CD1-CD1 4.07Å; F98-L116 HydrophobicContact CD1-CD2 4.2Å; F98-L116 HydrophobicContact CG-CD2 4.13Å; F98-K121 HydrophobicContact CD1-CD 3.99Å; F98-K121 HydrophobicContact CE1-CB 4.42Å; F98-K121 HydrophobicContact CE1-CD 3.76Å; F98-F123 AromaticContact CE1-CE2 3.74Å; F98-F123 HydrophobicContact CE1-CE2 3.74Å; F98-F123 AromaticContact CE1-CZ 3.67Å; F98-F123 HydrophobicContact CE1-CZ 3.67Å; F98-F123 AromaticContact CZ-CE2 3.7Å; F98-F123 HydrophobicContact CZ-CE2 3.7Å; F98-F123 AromaticContact CZ-CZ 3.83Å; F98-F123 HydrophobicContact CZ-CZ 3.83Å | ||
| 99 | S | 94.3 | Very high | 96.7 | Very high | 115 Ų | 115 | 58.8 Ų | 58.8 | 80% | 0.804 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -78.6 | -14.4 | 177.1 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 100 | T | 96.4 | Very high | 96.7 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -133.6 | 166.7 | -179.5 | 61.7 | 0 | 0 | 0 | 0 | 110.4 | N80 F98 | N80-T100 WeakPolarHBondContact CA-O 2.91Å; N80-T100 VanDerWaalsContact CB-O 3.23Å; N80-T100 WeakPolarHBondContact CB-O 3.34Å; F98-T100 VanDerWaalsContact C-N 3.3Å |
| 101 | E | 96.5 | Very high | 96.8 | Very high | 99 Ų | 99 | 54.2 Ų | 54.2 | 46% | 0.463 | 27% | 0.267 | S | S | . | . | trans | -60.6 | 140 | 178.3 | -65.8 | -175.8 | 165.2 | 0 | 0 | 112.4 | P79 K103 | P79-E101 HydrophobicContact CB-CG 4.34Å; P79-E101 HydrophobicContact CG-CG 4.39Å; E101-K103 IonicContact OE2-NZ 2.72Å; E101-K103 PolarHBondContact OE2-NZ 3.33Å | ||
| 102 | V | 98.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | trans | -83 | 124.2 | 173.4 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | V69 P79 V82 F98 V105 V114 L116 | V69-V102 HydrophobicContact CG1-CB 4.09Å; V69-V102 HydrophobicContact CG2-CB 4.1Å; V69-V102 HydrophobicContact CG2-CG1 3.74Å; P79-V102 PolarHBondContact O-N 3.34Å; V82-V102 HydrophobicContact CG2-CB 4.43Å; V82-V102 HydrophobicContact CG2-CG1 3.96Å; V82-V102 HydrophobicContact CG2-CG2 3.86Å; F98-V102 HydrophobicContact CD2-CG2 3.73Å; F98-V102 HydrophobicContact CE2-CG2 4.29Å; F98-V102 HydrophobicContact CG-CG2 4.34Å; V102-V105 HydrophobicContact CG1-CG2 3.86Å; V102-V114 HydrophobicContact CB-CG1 4.43Å; V102-V114 HydrophobicContact CG1-CG1 3.71Å; V102-V114 HydrophobicContact CG2-CG1 3.95Å; V102-L116 HydrophobicContact CG2-CD2 4.1Å | ||
| 103 | K | 97.8 | Very high | 97 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 15% | 0.152 | 23% | 0.231 | C | C | . | . | trans | -93.1 | -33.6 | -178.9 | -56.5 | -51.1 | -174.9 | -176.8 | 0 | 112.8 | E101 V115 D117 | E101-K103 IonicContact OE2-NZ 2.72Å; E101-K103 PolarHBondContact OE2-NZ 3.33Å; K103-V115 PolarHBondContact N-O 2.86Å; K103-D117 WeakPolarHBondContact CE-OD1 3.46Å; K103-D117 WeakPolarHBondContact CE-OD2 3.38Å; K103-D117 IonicContact NZ-OD1 3.68Å; K103-D117 IonicContact NZ-OD2 3.48Å; K103-D117 PolarHBondContact NZ-OD2 3.35Å | ||
| 104 | A | 98.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 160.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V115 G143 | A104-V115 HydrophobicContact CB-CB 4.06Å; A104-V115 HydrophobicContact CB-CG2 4.02Å; A104-V115 PolarHBondContact N-O 3.11Å; A104-V115 WeakPolarHBondContact O-CB 3.45Å; A104-V115 PolarHBondContact O-N 3.45Å; A104-G143 VanDerWaalsContact CB-O 3.28Å; A104-G143 WeakPolarHBondContact CB-O 3.36Å |
| 105 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 142.5 | 169.6 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | H56 E58 A67 V69 V82 V102 L107 I112 V113 | H56-V105 PolarHBondContact NE2-N 3.31Å; E58-V105 HydrophobicContact CB-CB 4.41Å; E58-V105 WeakPolarHBondContact CB-O 3.44Å; E58-V105 VanDerWaalsContact CD-O 3.22Å; E58-V105 VanDerWaalsContact CG-O 3.22Å; E58-V105 WeakPolarHBondContact CG-O 3.37Å; A67-V105 HydrophobicContact CB-CB 4.05Å; A67-V105 HydrophobicContact CB-CG1 3.58Å; A67-V105 HydrophobicContact CB-CG2 4.5Å; V69-V105 HydrophobicContact CG2-CG2 3.93Å; V82-V105 HydrophobicContact CG1-CG1 4.34Å; V82-V105 HydrophobicContact CG1-CG2 4Å; V82-V105 HydrophobicContact CG2-CG2 3.69Å; V102-V105 HydrophobicContact CG1-CG2 3.86Å; V105-L107 HydrophobicContact CG1-CD2 3.98Å; V105-L107 HydrophobicContact CG1-CG 4.48Å; V105-I112 HydrophobicContact CG1-CG2 4.22Å; V105-V113 CarbonylContact C-O 3.53Å; V105-V113 WeakPolarHBondContact CA-O 3.16Å |
| 106 | K | 98.3 | Very high | 97.1 | Very high | 43 Ų | 43 | 39.4 Ų | 39.4 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.6 | 171.2 | -62 | -67.2 | 162.7 | -157.8 | 0 | 109.9 | E58 V113 C145 L147 | E58-K106 WeakPolarHBondContact OE1-CD 3.46Å; E58-K106 IonicContact OE1-NZ 2.77Å; E58-K106 PolarHBondContact OE1-NZ 2.92Å; E58-K106 IonicContact OE2-NZ 2.69Å; E58-K106 PolarHBondContact OE2-NZ 2.74Å; K106-V113 HydrophobicContact CB-CB 4.14Å; K106-V113 PolarHBondContact N-O 3.47Å; K106-V113 PolarHBondContact O-N 3.05Å; K106-C145 VanDerWaalsContact CE-O 3.27Å; K106-C145 WeakPolarHBondContact CE-O 3.46Å; K106-C145 HydrophobicContact CG-CB 4.36Å; K106-L147 HydrophobicContact CB-CB 3.85Å; K106-L147 HydrophobicContact CB-CD2 4.04Å; K106-L147 HydrophobicContact CG-CB 4.43Å |
| 107 | L | 96.9 | Very high | 97.1 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.6 | -176.5 | -61.9 | -175.8 | 0 | 0 | 0 | 111.6 | Q20 E58 L60 A67 I84 V105 I112 F125 | Q20-L107 PolarHBondContact NE2-O 2.88Å; E58-L107 HydrophobicContact CG-CB 4.38Å; E58-L107 HydrophobicContact CG-CD1 4.48Å; E58-L107 HydrophobicContact CG-CG 4.01Å; L60-L107 HydrophobicContact CB-CB 4.15Å; L60-L107 HydrophobicContact CB-CD1 4.09Å; L60-L107 HydrophobicContact CD1-CB 4.06Å; A67-L107 HydrophobicContact CB-CD1 3.84Å; A67-L107 HydrophobicContact CB-CD2 4.13Å; A67-L107 HydrophobicContact CB-CG 4.14Å; I84-L107 HydrophobicContact CD1-CD2 4.33Å; V105-L107 HydrophobicContact CG1-CD2 3.98Å; V105-L107 HydrophobicContact CG1-CG 4.48Å; L107-I112 HydrophobicContact CD2-CB 4.27Å; L107-I112 HydrophobicContact CD2-CG1 4.04Å; L107-I112 HydrophobicContact CD2-CG2 3.99Å; L107-F125 HydrophobicContact CD1-CE1 4.19Å; L107-F125 HydrophobicContact CD2-CD1 4.27Å; L107-F125 HydrophobicContact CD2-CE1 3.86Å; L107-F125 HydrophobicContact CG-CE1 4.45Å |
| 108 | R | 94.1 | Very high | 97 | Very high | 11 Ų | 11 | 37.2 Ų | 37.2 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -125 | 167.6 | 160.1 | -169.6 | -179 | -71.1 | 146.8 | -0.4 | 107.7 | D110 R111 F125 L147 C148 S154 L155 | R108-D110 WeakPolarHBondContact CD-OD1 3.49Å; R108-D110 WeakPolarHBondContact CG-OD1 3.24Å; R108-D110 PolarHBondContact O-N 2.98Å; R108-R111 HydrophobicContact CB-CB 4.35Å; R108-R111 PolarHBondContact N-O 3.01Å; R108-R111 PolarHBondContact O-N 3.14Å; R108-R111 VanDerWaalsContact O-O 3.1Å; R108-F125 WeakPolarHBondContact O-CD1 3.48Å; R108-L147 HydrophobicContact CB-CD2 3.82Å; R108-C148 PolarHBondContact NE-O 3.03Å; R108-C148 PolarHBondContact NH2-O 3.07Å; R108-S154 VanDerWaalsContact CZ-CA 3.43Å; R108-S154 PolarHBondContact NH1-O 2.98Å; R108-S154 VanDerWaalsContact NH1-O 3.12Å; R108-S154 PolarHBondContact NH1-OG 3.13Å; R108-S154 PolarHBondContact NH2-O 3.08Å; R108-L155 PolarHBondContact NH2-O 2.77Å; R108-L155 VanDerWaalsContact NH2-O 3.15Å | ||
| 109 | R | 92.3 | Very high | 97 | Very high | 178 Ų | 178 | 39.5 Ų | 39.5 | 67% | 0.672 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -55.6 | -24.7 | 178.4 | -67.8 | -176.1 | 179.5 | 164.1 | 1.1 | 114.1 | ||
| 110 | D | 93.6 | Very high | 97.2 | Very high | 61 Ų | 61 | 34 Ų | 34 | 33% | 0.326 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -126.1 | -1.3 | -173.2 | 68.5 | -33.1 | 0 | 0 | 0 | 113.5 | R108 F125 | R108-D110 WeakPolarHBondContact CD-OD1 3.49Å; R108-D110 WeakPolarHBondContact CG-OD1 3.24Å; R108-D110 PolarHBondContact O-N 2.98Å; D110-F125 PolarHBondContact O-N 3.22Å; D110-F125 VanDerWaalsContact O-N 3.15Å |
| 111 | R | 96.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 18% | 0.181 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.2 | -177.3 | -62.5 | -64.8 | -176.4 | -73.5 | -9 | 112.5 | R108 V122 F123 L171 | R108-R111 HydrophobicContact CB-CB 4.35Å; R108-R111 PolarHBondContact N-O 3.01Å; R108-R111 PolarHBondContact O-N 3.14Å; R108-R111 VanDerWaalsContact O-O 3.1Å; R111-V122 HydrophobicContact CG-CG1 4.45Å; R111-F123 VanDerWaalsContact CA-O 3.31Å; R111-F123 WeakPolarHBondContact CA-O 3.12Å; R111-L171 HydrophobicContact CG-CD1 4.43Å |
| 112 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.2 | 163.8 | -56.2 | 168.5 | 0 | 0 | 0 | 106.5 | I84 I96 V105 L107 V114 F123 F125 P129 | I84-I112 HydrophobicContact CD1-CD1 4.14Å; I84-I112 HydrophobicContact CG1-CD1 4.09Å; I96-I112 HydrophobicContact CD1-CD1 4.25Å; I96-I112 HydrophobicContact CD1-CG2 4.46Å; V105-I112 HydrophobicContact CG1-CG2 4.22Å; L107-I112 HydrophobicContact CD2-CB 4.27Å; L107-I112 HydrophobicContact CD2-CG1 4.04Å; L107-I112 HydrophobicContact CD2-CG2 3.99Å; I112-V114 HydrophobicContact CG2-CG2 4.03Å; I112-F123 HydrophobicContact CB-CB 4.3Å; I112-F123 PolarHBondContact N-O 3.36Å; I112-F123 PolarHBondContact O-N 3.18Å; I112-F125 HydrophobicContact CD1-CD1 4.06Å; I112-F125 HydrophobicContact CD1-CE1 4.41Å; I112-F125 HydrophobicContact CD1-CG 4.21Å; I112-F125 HydrophobicContact CG1-CB 4.1Å; I112-F125 HydrophobicContact CG1-CD1 3.38Å; I112-F125 HydrophobicContact CG1-CE1 3.94Å; I112-F125 HydrophobicContact CG1-CG 3.86Å; I112-P129 HydrophobicContact CD1-CG 4.31Å |
| 113 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.2 | 177.5 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | V105 K106 I120 V122 L147 L156 L171 | V105-V113 CarbonylContact C-O 3.53Å; V105-V113 WeakPolarHBondContact CA-O 3.16Å; K106-V113 HydrophobicContact CB-CB 4.14Å; K106-V113 PolarHBondContact N-O 3.47Å; K106-V113 PolarHBondContact O-N 3.05Å; V113-I120 HydrophobicContact CG1-CG2 3.44Å; V113-I120 VanDerWaalsContact CG1-CG2 3.44Å; V113-V122 HydrophobicContact CG1-CG2 4.45Å; V113-V122 HydrophobicContact CG2-CG1 4.31Å; V113-V122 HydrophobicContact CG2-CG2 4.2Å; V113-L147 HydrophobicContact CG2-CD1 4.18Å; V113-L147 HydrophobicContact CG2-CD2 3.92Å; V113-L156 HydrophobicContact CG1-CD1 3.97Å; V113-L156 HydrophobicContact CG1-CD2 4.43Å; V113-L171 HydrophobicContact CG2-CD1 4.41Å |
| 114 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.1 | -178.5 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | V82 F98 V102 I112 L116 I120 K121 F123 | V82-V114 HydrophobicContact CG2-CG1 3.95Å; V82-V114 HydrophobicContact CG2-CG2 3.98Å; F98-V114 HydrophobicContact CD2-CG1 4.26Å; F98-V114 HydrophobicContact CE1-CB 4.17Å; F98-V114 HydrophobicContact CE1-CG1 4.03Å; F98-V114 HydrophobicContact CE1-CG2 4.49Å; F98-V114 HydrophobicContact CE2-CB 4.3Å; F98-V114 HydrophobicContact CE2-CG1 3.73Å; F98-V114 HydrophobicContact CE2-CG2 4.1Å; F98-V114 HydrophobicContact CZ-CB 3.74Å; F98-V114 HydrophobicContact CZ-CG1 3.61Å; F98-V114 HydrophobicContact CZ-CG2 3.63Å; V102-V114 HydrophobicContact CB-CG1 4.43Å; V102-V114 HydrophobicContact CG1-CG1 3.71Å; V102-V114 HydrophobicContact CG2-CG1 3.95Å; I112-V114 HydrophobicContact CG2-CG2 4.03Å; V114-L116 HydrophobicContact CG1-CD2 4.15Å; V114-I120 CarbonylContact O-C 3.52Å; V114-I120 WeakPolarHBondContact O-CA 3.19Å; V114-K121 PolarHBondContact N-O 2.86Å; V114-K121 PolarHBondContact O-N 2.79Å; V114-F123 HydrophobicContact CG2-CD2 4.35Å; V114-F123 HydrophobicContact CG2-CE2 4.23Å |
| 115 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.6 | -178.1 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | K103 A104 I120 N140 C145 | K103-V115 PolarHBondContact N-O 2.86Å; A104-V115 HydrophobicContact CB-CB 4.06Å; A104-V115 HydrophobicContact CB-CG2 4.02Å; A104-V115 PolarHBondContact N-O 3.11Å; A104-V115 WeakPolarHBondContact O-CB 3.45Å; A104-V115 PolarHBondContact O-N 3.45Å; V115-I120 HydrophobicContact CB-CG1 4.34Å; V115-I120 HydrophobicContact CG1-CD1 4.4Å; V115-I120 HydrophobicContact CG1-CG1 3.99Å; V115-I120 HydrophobicContact CG2-CD1 4.38Å; V115-I120 HydrophobicContact CG2-CG1 4.18Å; V115-N140 WeakPolarHBondContact CG1-ND2 3.39Å; V115-C145 HydrophobicContact CG2-CB 3.42Å; V115-C145 VanDerWaalsContact CG2-CB 3.42Å |
| 116 | L | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | trans | -108.9 | -178.5 | 174.1 | -52.3 | 180 | 0 | 0 | 0 | 109.5 | F98 V102 V114 S118 M119 K121 | F98-L116 HydrophobicContact CB-CD2 4.19Å; F98-L116 HydrophobicContact CD1-CD1 4.07Å; F98-L116 HydrophobicContact CD1-CD2 4.2Å; F98-L116 HydrophobicContact CG-CD2 4.13Å; V102-L116 HydrophobicContact CG2-CD2 4.1Å; V114-L116 HydrophobicContact CG1-CD2 4.15Å; L116-S118 VanDerWaalsContact C-N 3.3Å; L116-S118 PolarHBondContact O-N 3.11Å; L116-M119 WeakPolarHBondContact CA-O 3.29Å; L116-M119 HydrophobicContact CB-CG 4.09Å; L116-M119 WeakPolarHBondContact CB-O 3.43Å; L116-M119 HydrophobicContact CD1-CG 3.84Å; L116-M119 HydrophobicContact CD1-SD 4.13Å; L116-M119 HydrophobicContact CG-CG 4.34Å; L116-M119 PolarHBondContact N-O 2.84Å; L116-K121 HydrophobicContact CD1-CD 4.3Å | ||
| 117 | D | 96.9 | Very high | 97 | Very high | 34 Ų | 34 | 37.8 Ų | 37.8 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -61.2 | -30.4 | -177.5 | -88.1 | -48.3 | 0 | 0 | 0 | 115.1 | K103 Y139 N140 | K103-D117 WeakPolarHBondContact CE-OD1 3.46Å; K103-D117 WeakPolarHBondContact CE-OD2 3.38Å; K103-D117 IonicContact NZ-OD1 3.68Å; K103-D117 IonicContact NZ-OD2 3.48Å; K103-D117 PolarHBondContact NZ-OD2 3.35Å; D117-Y139 HydrophobicContact CB-CD2 4.21Å; D117-Y139 HydrophobicContact CB-CE2 3.92Å; D117-Y139 CarbonylContact O-C 3.59Å; D117-Y139 WeakPolarHBondContact O-CA 3.47Å; D117-Y139 VanDerWaalsContact OD1-CE2 3.29Å; D117-Y139 WeakPolarHBondContact OD1-CE2 3.24Å; D117-N140 PolarHBondContact O-N 2.98Å |
| 118 | S | 97.3 | Very high | 96.9 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 43% | 0.427 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -140.5 | 9.2 | -175.7 | 59.8 | 0 | 0 | 0 | 0 | 113.7 | L116 T137 | L116-S118 VanDerWaalsContact C-N 3.3Å; L116-S118 PolarHBondContact O-N 3.11Å; S118-T137 WeakPolarHBondContact CA-OG1 3.27Å; S118-T137 PolarHBondContact O-N 2.67Å; S118-T137 PolarHBondContact O-OG1 3.13Å |
| 119 | M | 98.1 | Very high | 97.1 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 30% | 0.296 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 158.5 | 178.6 | 66.6 | -176.4 | 71.7 | 0 | 0 | 111.7 | L116 V134 F135 T137 | L116-M119 WeakPolarHBondContact CA-O 3.29Å; L116-M119 HydrophobicContact CB-CG 4.09Å; L116-M119 WeakPolarHBondContact CB-O 3.43Å; L116-M119 HydrophobicContact CD1-CG 3.84Å; L116-M119 HydrophobicContact CD1-SD 4.13Å; L116-M119 HydrophobicContact CG-CG 4.34Å; L116-M119 PolarHBondContact N-O 2.84Å; M119-V134 HydrophobicContact CB-CG1 4.25Å; M119-V134 HydrophobicContact SD-CG1 4.15Å; M119-F135 CarbonylContact C-O 3.55Å; M119-F135 WeakPolarHBondContact CA-O 3.34Å; M119-F135 WeakPolarHBondContact CB-O 3.39Å; M119-T137 PolarHBondContact N-OG1 2.76Å |
| 120 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133 | 171.7 | -68.4 | 173.4 | 0 | 0 | 0 | 108.2 | V113 V114 V115 V134 F135 T137 C145 L156 F158 | V113-I120 HydrophobicContact CG1-CG2 3.44Å; V113-I120 VanDerWaalsContact CG1-CG2 3.44Å; V114-I120 CarbonylContact O-C 3.52Å; V114-I120 WeakPolarHBondContact O-CA 3.19Å; V115-I120 HydrophobicContact CB-CG1 4.34Å; V115-I120 HydrophobicContact CG1-CD1 4.4Å; V115-I120 HydrophobicContact CG1-CG1 3.99Å; V115-I120 HydrophobicContact CG2-CD1 4.38Å; V115-I120 HydrophobicContact CG2-CG1 4.18Å; I120-V134 CarbonylContact O-C 3.53Å; I120-V134 WeakPolarHBondContact O-CA 3.38Å; I120-F135 PolarHBondContact N-O 3Å; I120-F135 PolarHBondContact O-N 2.9Å; I120-T137 HydrophobicContact CD1-CG2 3.96Å; I120-T137 HydrophobicContact CG1-CG2 3.97Å; I120-C145 HydrophobicContact CD1-CB 4.25Å; I120-L156 HydrophobicContact CG2-CD2 4.35Å; I120-F158 HydrophobicContact CD1-CB 3.29Å; I120-F158 HydrophobicContact CD1-CD1 3.81Å; I120-F158 HydrophobicContact CD1-CD2 4.03Å; I120-F158 HydrophobicContact CD1-CG 3.46Å; I120-F158 VanDerWaalsContact CD1-CG 3.46Å |
| 121 | K | 98.8 | Very high | 97.6 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 19% | 0.191 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.9 | 176.9 | -65.4 | -175.1 | 166 | -157.5 | 0 | 110.1 | F98 V114 L116 F123 H133 V134 | F98-K121 HydrophobicContact CD1-CD 3.99Å; F98-K121 HydrophobicContact CE1-CB 4.42Å; F98-K121 HydrophobicContact CE1-CD 3.76Å; V114-K121 PolarHBondContact N-O 2.86Å; V114-K121 PolarHBondContact O-N 2.79Å; L116-K121 HydrophobicContact CD1-CD 4.3Å; K121-F123 HydrophobicContact CB-CD2 4.38Å; K121-F123 HydrophobicContact CB-CE2 3.5Å; K121-F123 HydrophobicContact CB-CZ 4.03Å; K121-F123 HydrophobicContact CD-CZ 4.32Å; K121-H133 WeakPolarHBondContact CA-O 3Å; K121-V134 HydrophobicContact CG-CG1 4.36Å; K121-V134 HydrophobicContact CG-CG2 4.22Å |
| 122 | V | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 130.5 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | R111 V113 L132 H133 F135 L156 L171 | R111-V122 HydrophobicContact CG-CG1 4.45Å; V113-V122 HydrophobicContact CG1-CG2 4.45Å; V113-V122 HydrophobicContact CG2-CG1 4.31Å; V113-V122 HydrophobicContact CG2-CG2 4.2Å; V122-L132 PolarHBondContact O-N 2.95Å; V122-H133 HydrophobicContact CB-CB 4.21Å; V122-H133 HydrophobicContact CG2-CB 4.4Å; V122-H133 PolarHBondContact N-O 2.85Å; V122-H133 PolarHBondContact O-N 2.91Å; V122-F135 HydrophobicContact CG2-CD2 4.23Å; V122-F135 HydrophobicContact CG2-CE2 3.83Å; V122-L156 HydrophobicContact CG2-CD2 4.08Å; V122-L171 HydrophobicContact CG1-CD1 4.24Å; V122-L171 HydrophobicContact CG1-CD2 4.46Å; V122-L171 HydrophobicContact CG2-CD2 4.17Å |
| 123 | F | 98.7 | Very high | 97.7 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 6% | 0.061 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 157.6 | 179.9 | -59 | -101.3 | 0 | 0 | 0 | 111.4 | I96 F98 R111 I112 V114 K121 P129 H130 Q131 | I96-F123 HydrophobicContact CD1-CG 4.41Å; I96-F123 HydrophobicContact CG2-CE1 4.2Å; I96-F123 HydrophobicContact CG2-CZ 4.13Å; F98-F123 AromaticContact CE1-CE2 3.74Å; F98-F123 HydrophobicContact CE1-CE2 3.74Å; F98-F123 AromaticContact CE1-CZ 3.67Å; F98-F123 HydrophobicContact CE1-CZ 3.67Å; F98-F123 AromaticContact CZ-CE2 3.7Å; F98-F123 HydrophobicContact CZ-CE2 3.7Å; F98-F123 AromaticContact CZ-CZ 3.83Å; F98-F123 HydrophobicContact CZ-CZ 3.83Å; R111-F123 VanDerWaalsContact CA-O 3.31Å; R111-F123 WeakPolarHBondContact CA-O 3.12Å; I112-F123 HydrophobicContact CB-CB 4.3Å; I112-F123 PolarHBondContact N-O 3.36Å; I112-F123 PolarHBondContact O-N 3.18Å; V114-F123 HydrophobicContact CG2-CD2 4.35Å; V114-F123 HydrophobicContact CG2-CE2 4.23Å; K121-F123 HydrophobicContact CB-CD2 4.38Å; K121-F123 HydrophobicContact CB-CE2 3.5Å; K121-F123 HydrophobicContact CB-CZ 4.03Å; K121-F123 HydrophobicContact CD-CZ 4.32Å; F123-P129 HydrophobicContact CB-CB 4.04Å; F123-P129 HydrophobicContact CD1-CB 4.29Å; F123-H130 CarbonylContact C-O 3.57Å; F123-H130 WeakPolarHBondContact CA-O 3.36Å; F123-Q131 HydrophobicContact CD1-CB 3.82Å; F123-Q131 HydrophobicContact CD1-CG 4.31Å; F123-Q131 HydrophobicContact CE1-CB 3.57Å; F123-Q131 HydrophobicContact CE1-CG 3.88Å; F123-Q131 HydrophobicContact CZ-CB 4.26Å; F123-Q131 HydrophobicContact CZ-CG 4.05Å |
| 124 | T | 97.9 | Very high | 97.7 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 140.9 | 165.5 | 58.1 | 0 | 0 | 0 | 0 | 110.9 | T126 P129 H130 L132 | T124-T126 VanDerWaalsContact C-N 3.31Å; T124-T126 PolarHBondContact O-N 3.08Å; T124-T126 VanDerWaalsContact O-N 3.15Å; T124-T126 PolarHBondContact OG1-OG1 2.92Å; T124-P129 WeakPolarHBondContact O-CB 3.2Å; T124-H130 HydrophobicContact CG2-CB 4.46Å; T124-H130 PolarHBondContact N-O 2.89Å; T124-H130 PolarHBondContact OG1-N 2.88Å; T124-L132 HydrophobicContact CG2-CD1 3.83Å; T124-L132 HydrophobicContact CG2-CD2 3.82Å; T124-L132 HydrophobicContact CG2-CG 3.96Å |
| 125 | F | 96.6 | Very high | 97.6 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -85.7 | 75.9 | 168.9 | -155.8 | 122.3 | 0 | 0 | 0 | 109.7 | L60 Y65 I84 I94 L107 R108 D110 I112 | L60-F125 HydrophobicContact CD2-CE1 4.3Å; Y65-F125 HydrophobicContact CD2-CE2 4.21Å; Y65-F125 HydrophobicContact CD2-CZ 4.2Å; Y65-F125 HydrophobicContact CG-CE2 4.3Å; Y65-F125 AromaticContact CG-CZ 3.99Å; Y65-F125 HydrophobicContact CG-CZ 3.99Å; I84-F125 HydrophobicContact CG2-CE2 4.42Å; I84-F125 HydrophobicContact CG2-CZ 3.85Å; I94-F125 HydrophobicContact CD1-CE2 4.48Å; L107-F125 HydrophobicContact CD1-CE1 4.19Å; L107-F125 HydrophobicContact CD2-CD1 4.27Å; L107-F125 HydrophobicContact CD2-CE1 3.86Å; L107-F125 HydrophobicContact CG-CE1 4.45Å; R108-F125 WeakPolarHBondContact O-CD1 3.48Å; D110-F125 PolarHBondContact O-N 3.22Å; D110-F125 VanDerWaalsContact O-N 3.15Å; I112-F125 HydrophobicContact CD1-CD1 4.06Å; I112-F125 HydrophobicContact CD1-CE1 4.41Å; I112-F125 HydrophobicContact CD1-CG 4.21Å; I112-F125 HydrophobicContact CG1-CB 4.1Å; I112-F125 HydrophobicContact CG1-CD1 3.38Å; I112-F125 HydrophobicContact CG1-CE1 3.94Å; I112-F125 HydrophobicContact CG1-CG 3.86Å |
| 126 | T | 96.5 | Very high | 97.6 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -131.2 | 166.1 | -180 | 46.9 | 0 | 0 | 0 | 0 | 110.1 | I94 T124 N128 P129 | I94-T126 VanDerWaalsContact CD1-O 3.28Å; I94-T126 WeakPolarHBondContact CD1-O 3.28Å; T124-T126 VanDerWaalsContact C-N 3.31Å; T124-T126 PolarHBondContact O-N 3.08Å; T124-T126 VanDerWaalsContact O-N 3.15Å; T124-T126 PolarHBondContact OG1-OG1 2.92Å; T126-N128 PolarHBondContact O-N 3.49Å; T126-N128 PolarHBondContact OG1-O 3.07Å; T126-P129 WeakPolarHBondContact O-CD 3.45Å |
| 127 | H | 91.9 | Very high | 97.6 | Very high | 150 Ų | 150 | 57.7 Ų | 57.7 | 69% | 0.694 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -52.3 | -40.2 | 177.4 | -179.3 | -78.9 | 0 | 0 | 0 | 112.5 | P129 | H127-P129 WeakPolarHBondContact O-CD 3.49Š|
| 128 | N | 96 | Very high | 97.6 | Very high | 107 Ų | 107 | 57.7 Ų | 57.7 | 57% | 0.572 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -111.2 | 98.2 | 169.6 | -59.2 | -25.1 | 0 | 0 | 0 | 107.5 | T126 H130 | T126-N128 PolarHBondContact O-N 3.49Å; T126-N128 PolarHBondContact OG1-O 3.07Å; N128-H130 PolarHBondContact O-CE1 2.97Å; N128-H130 PolarHBondContact O-N 2.8Å; N128-H130 PolarHBondContact O-ND1 2.9Å |
| 129 | P | 98.1 | Very high | 97.6 | Very high | 33 Ų | 33 | 62.6 Ų | 62.6 | 21% | 0.214 | 31% | 0.308 | C | S | . | . | trans | -64.6 | 129.4 | 178.4 | -21.5 | 32.1 | 0 | 0 | 0 | 111.3 | I94 I96 I112 F123 T124 T126 H127 | I94-P129 HydrophobicContact CD1-CG 4.38Å; I94-P129 HydrophobicContact CG2-CG 3.34Å; I96-P129 HydrophobicContact CD1-CB 3.93Å; I96-P129 HydrophobicContact CD1-CG 3.88Å; I96-P129 HydrophobicContact CG1-CG 4.21Å; I112-P129 HydrophobicContact CD1-CG 4.31Å; F123-P129 HydrophobicContact CB-CB 4.04Å; F123-P129 HydrophobicContact CD1-CB 4.29Å; T124-P129 WeakPolarHBondContact O-CB 3.2Å; T126-P129 WeakPolarHBondContact O-CD 3.45Å; H127-P129 WeakPolarHBondContact O-CD 3.49Å | ||
| 130 | H | 98.1 | Very high | 97.6 | Very high | 120 Ų | 120 | 60 Ų | 60 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | trans | -104.1 | 132.1 | 172.6 | -63.9 | 82.1 | 0 | 0 | 0 | 109.2 | F123 T124 N128 L132 | F123-H130 CarbonylContact C-O 3.57Å; F123-H130 WeakPolarHBondContact CA-O 3.36Å; T124-H130 HydrophobicContact CG2-CB 4.46Å; T124-H130 PolarHBondContact N-O 2.89Å; T124-H130 PolarHBondContact OG1-N 2.88Å; N128-H130 PolarHBondContact O-CE1 2.97Å; N128-H130 PolarHBondContact O-N 2.8Å; N128-H130 PolarHBondContact O-ND1 2.9Å; H130-L132 PolarHBondContact O-N 2.7Å | ||
| 131 | Q | 98.4 | Very high | 97.4 | Very high | 94 Ų | 94 | 63 Ų | 63 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 123.2 | 174.4 | -165.9 | -173.7 | -91.3 | 0 | 0 | 109 | F123 V134 | F123-Q131 HydrophobicContact CD1-CB 3.82Å; F123-Q131 HydrophobicContact CD1-CG 4.31Å; F123-Q131 HydrophobicContact CE1-CB 3.57Å; F123-Q131 HydrophobicContact CE1-CG 3.88Å; F123-Q131 HydrophobicContact CZ-CB 4.26Å; F123-Q131 HydrophobicContact CZ-CG 4.05Å; Q131-V134 VanDerWaalsContact NE2-CG2 3.35Å |
| 132 | L | 98.1 | Very high | 97.2 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -48.5 | -179.8 | -61 | 177.4 | 0 | 0 | 0 | 111.4 | V122 T124 H130 | V122-L132 PolarHBondContact O-N 2.95Å; T124-L132 HydrophobicContact CG2-CD1 3.83Å; T124-L132 HydrophobicContact CG2-CD2 3.82Å; T124-L132 HydrophobicContact CG2-CG 3.96Å; H130-L132 PolarHBondContact O-N 2.7Å |
| 133 | H | 98.1 | Very high | 97.2 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 153.5 | -172.6 | -52.5 | -67.9 | 0 | 0 | 0 | 111.8 | K121 V122 F135 T174 | K121-H133 WeakPolarHBondContact CA-O 3Å; V122-H133 HydrophobicContact CB-CB 4.21Å; V122-H133 HydrophobicContact CG2-CB 4.4Å; V122-H133 PolarHBondContact N-O 2.85Å; V122-H133 PolarHBondContact O-N 2.91Å; H133-F135 HydrophobicContact CB-CE2 3.76Å; H133-F135 HydrophobicContact CB-CZ 3.75Å; H133-T174 PolarHBondContact CE1-OG1 2.77Å |
| 134 | V | 98.2 | Very high | 97.2 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.3 | 168.9 | -174.3 | 0 | 0 | 0 | 0 | 107.4 | M119 I120 K121 Q131 | M119-V134 HydrophobicContact CB-CG1 4.25Å; M119-V134 HydrophobicContact SD-CG1 4.15Å; I120-V134 CarbonylContact O-C 3.53Å; I120-V134 WeakPolarHBondContact O-CA 3.38Å; K121-V134 HydrophobicContact CG-CG1 4.36Å; K121-V134 HydrophobicContact CG-CG2 4.22Å; Q131-V134 VanDerWaalsContact NE2-CG2 3.35Å |
| 135 | F | 98.4 | Very high | 97.2 | Very high | 30 Ų | 30 | 65 Ų | 65 | 13% | 0.132 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.1 | 175.2 | -57.7 | -70.6 | 0 | 0 | 0 | 108.9 | M119 I120 V122 H133 L156 F158 V169 L171 | M119-F135 CarbonylContact C-O 3.55Å; M119-F135 WeakPolarHBondContact CA-O 3.34Å; M119-F135 WeakPolarHBondContact CB-O 3.39Å; I120-F135 PolarHBondContact N-O 3Å; I120-F135 PolarHBondContact O-N 2.9Å; V122-F135 HydrophobicContact CG2-CD2 4.23Å; V122-F135 HydrophobicContact CG2-CE2 3.83Å; H133-F135 HydrophobicContact CB-CE2 3.76Å; H133-F135 HydrophobicContact CB-CZ 3.75Å; F135-L156 HydrophobicContact CD2-CD2 4.01Å; F135-L156 HydrophobicContact CE2-CD2 3.91Å; F135-F158 HydrophobicContact CB-CE1 4.27Å; F135-F158 HydrophobicContact CB-CE2 3.85Å; F135-F158 HydrophobicContact CB-CZ 3.5Å; F135-F158 HydrophobicContact CD1-CZ 4.15Å; F135-F158 HydrophobicContact CD2-CE1 4.21Å; F135-F158 HydrophobicContact CD2-CZ 4.17Å; F135-F158 HydrophobicContact CG-CE1 4.19Å; F135-F158 AromaticContact CG-CZ 3.68Å; F135-F158 HydrophobicContact CG-CZ 3.68Å; F135-V169 HydrophobicContact CD1-CG2 4.26Å; F135-V169 HydrophobicContact CE1-CB 4.49Å; F135-V169 HydrophobicContact CE1-CG1 4Å; F135-V169 HydrophobicContact CE1-CG2 3.95Å; F135-V169 HydrophobicContact CZ-CB 4.35Å; F135-V169 HydrophobicContact CZ-CG1 3.77Å; F135-V169 HydrophobicContact CZ-CG2 4.25Å; F135-L171 HydrophobicContact CE2-CD2 3.98Å; F135-L171 HydrophobicContact CZ-CD2 4.22Å |
| 136 | E | 98.1 | Very high | 97.3 | Very high | 143 Ų | 143 | 64.4 Ų | 64.4 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 145.3 | 172.4 | -63.8 | -175.7 | 162.7 | 0 | 0 | 110.2 | T161 | E136-T161 HydrophobicContact CB-CG2 4.07Å |
| 137 | T | 98.2 | Very high | 97.4 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | trans | -128.2 | 165.1 | 175.6 | 68.3 | 0 | 0 | 0 | 0 | 109.3 | S118 M119 I120 F158 P159 | S118-T137 WeakPolarHBondContact CA-OG1 3.27Å; S118-T137 PolarHBondContact O-N 2.67Å; S118-T137 PolarHBondContact O-OG1 3.13Å; M119-T137 PolarHBondContact N-OG1 2.76Å; I120-T137 HydrophobicContact CD1-CG2 3.96Å; I120-T137 HydrophobicContact CG1-CG2 3.97Å; T137-F158 HydrophobicContact CG2-CD2 3.74Å; T137-F158 HydrophobicContact CG2-CE2 4.29Å; T137-F158 HydrophobicContact CG2-CG 4.49Å; T137-P159 WeakPolarHBondContact CB-O 3.23Å | ||
| 138 | C | 97.1 | Very high | 97.6 | Very high | 34 Ų | 34 | 55 Ų | 55 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -61.9 | 174.9 | 157.1 | 67.6 | 0 | 0 | 0 | 0 | 110.1 | N140 P159 G160 | C138-N140 PolarHBondContact O-N 3.42Å; C138-N140 VanDerWaalsContact O-N 3.07Å; C138-P159 VanDerWaalsContact SG-CB 3.59Å; C138-G160 VanDerWaalsContact CB-O 3.23Å; C138-G160 WeakPolarHBondContact CB-O 3.5Å; C138-G160 PolarHBondContact N-O 3.45Å; C138-G160 PolarHBondContact SG-O 3.32Å |
| 139 | Y | 97.4 | Very high | 97.3 | Very high | 164 Ų | 164 | 51 Ų | 51 | 64% | 0.643 | 26% | 0.256 | S | S | * | . | trans | -58.4 | 117.4 | 174.6 | -175.8 | -123.4 | 0 | 0 | 0 | 110.4 | D117 P141 | D117-Y139 HydrophobicContact CB-CD2 4.21Å; D117-Y139 HydrophobicContact CB-CE2 3.92Å; D117-Y139 CarbonylContact O-C 3.59Å; D117-Y139 WeakPolarHBondContact O-CA 3.47Å; D117-Y139 VanDerWaalsContact OD1-CE2 3.29Å; D117-Y139 WeakPolarHBondContact OD1-CE2 3.24Å; Y139-P141 HydrophobicContact CD1-CG 3.97Å; Y139-P141 HydrophobicContact CE1-CB 3.8Å; Y139-P141 HydrophobicContact CE1-CG 3.64Å; Y139-P141 WeakPolarHBondContact O-CD 3.33Å | ||
| 140 | N | 97.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | trans | -120.7 | 60.9 | -169.2 | -168.2 | 8.6 | 0 | 0 | 0 | 112.2 | V115 D117 C138 K142 G143 L144 | V115-N140 WeakPolarHBondContact CG1-ND2 3.39Å; D117-N140 PolarHBondContact O-N 2.98Å; C138-N140 PolarHBondContact O-N 3.42Å; C138-N140 VanDerWaalsContact O-N 3.07Å; N140-K142 PolarHBondContact O-N 3.13Å; N140-K142 VanDerWaalsContact O-N 3.15Å; N140-G143 PolarHBondContact O-N 2.86Å; N140-G143 PolarHBondContact OD1-N 2.98Å; N140-L144 PolarHBondContact ND2-N 2.93Å; N140-L144 PolarHBondContact ND2-O 3.02Å; N140-L144 WeakPolarHBondContact OD1-CB 3.47Å; N140-L144 PolarHBondContact OD1-N 3.37Å | ||
| 141 | P | 95.1 | Very high | 96.3 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 41% | 0.409 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.4 | -175 | 27.2 | -35.5 | 0 | 0 | 0 | 112.9 | Y139 G143 | Y139-P141 HydrophobicContact CD1-CG 3.97Å; Y139-P141 HydrophobicContact CE1-CB 3.8Å; Y139-P141 HydrophobicContact CE1-CG 3.64Å; Y139-P141 WeakPolarHBondContact O-CD 3.33Å; P141-G143 VanDerWaalsContact C-N 3.31Å |
| 142 | K | 95.1 | Very high | 95.9 | Very high | 92 Ų | 92 | 53.2 Ų | 53.2 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.4 | 177.5 | -69.9 | -177.5 | 175.9 | -176.7 | 0 | 113.1 | N140 L144 N232 | N140-K142 PolarHBondContact O-N 3.13Å; N140-K142 VanDerWaalsContact O-N 3.15Å; K142-L144 VanDerWaalsContact C-N 3.28Å; K142-L144 HydrophobicContact CB-CD2 3.87Å; K142-L144 HydrophobicContact CB-CG 3.94Å; K142-L144 PolarHBondContact O-N 2.88Å; K142-N232 PolarHBondContact NZ-OD1 2.86Å |
| 143 | G | 97.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | trans | 60.9 | 35.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A104 N140 P141 C145 | A104-G143 VanDerWaalsContact CB-O 3.28Å; A104-G143 WeakPolarHBondContact CB-O 3.36Å; N140-G143 PolarHBondContact O-N 2.86Å; N140-G143 PolarHBondContact OD1-N 2.98Å; P141-G143 VanDerWaalsContact C-N 3.31Å; G143-C145 PolarHBondContact O-N 3.17Å; G143-C145 VanDerWaalsContact O-N 3.16Å | ||
| 144 | L | 98.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | trans | -63.4 | 115.9 | -178.8 | -59.6 | -175.5 | 0 | 0 | 0 | 109.9 | N140 K142 P159 L188 I191 | N140-L144 PolarHBondContact ND2-N 2.93Å; N140-L144 PolarHBondContact ND2-O 3.02Å; N140-L144 WeakPolarHBondContact OD1-CB 3.47Å; N140-L144 PolarHBondContact OD1-N 3.37Å; K142-L144 VanDerWaalsContact C-N 3.28Å; K142-L144 HydrophobicContact CB-CD2 3.87Å; K142-L144 HydrophobicContact CB-CG 3.94Å; K142-L144 PolarHBondContact O-N 2.88Å; L144-P159 HydrophobicContact CB-CG 3.69Å; L144-P159 HydrophobicContact CD1-CG 4.1Å; L144-P159 HydrophobicContact CG-CG 4.45Å; L144-P159 WeakPolarHBondContact O-CD 3.27Å; L144-L188 HydrophobicContact CD1-CB 3.84Å; L144-L188 WeakPolarHBondContact CD1-O 3.43Å; L144-I191 HydrophobicContact CB-CD1 4.11Å; L144-I191 HydrophobicContact CB-CG1 4.18Å | ||
| 145 | C | 98.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -163.9 | 138 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | K106 V115 I120 G143 L156 A157 | K106-C145 VanDerWaalsContact CE-O 3.27Å; K106-C145 WeakPolarHBondContact CE-O 3.46Å; K106-C145 HydrophobicContact CG-CB 4.36Å; V115-C145 HydrophobicContact CG2-CB 3.42Å; V115-C145 VanDerWaalsContact CG2-CB 3.42Å; I120-C145 HydrophobicContact CD1-CB 4.25Å; G143-C145 PolarHBondContact O-N 3.17Å; G143-C145 VanDerWaalsContact O-N 3.16Å; C145-L156 WeakPolarHBondContact SG-CD1 3.39Å; C145-A157 WeakPolarHBondContact CA-O 3.22Å | ||
| 146 | V | 98.4 | Very high | 95.4 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 13% | 0.127 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.9 | 172.3 | -68.3 | 0 | 0 | 0 | 0 | 109.9 | A157 I191 L193 I200 | V146-A157 HydrophobicContact CG2-CB 3.76Å; V146-A157 PolarHBondContact N-O 2.77Å; V146-A157 PolarHBondContact O-N 3.15Å; V146-I191 HydrophobicContact CG1-CD1 4.3Å; V146-I191 HydrophobicContact CG1-CG1 4.01Å; V146-I191 HydrophobicContact CG2-CD1 4.14Å; V146-L193 HydrophobicContact CB-CB 3.93Å; V146-L193 HydrophobicContact CG2-CB 3.82Å; V146-I200 HydrophobicContact CG2-CD1 4.1Å |
| 147 | L | 98.1 | Very high | 95.4 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.6 | -179 | -178 | 67 | 0 | 0 | 0 | 107.9 | K106 R108 V113 P149 L156 L171 | K106-L147 HydrophobicContact CB-CB 3.85Å; K106-L147 HydrophobicContact CB-CD2 4.04Å; K106-L147 HydrophobicContact CG-CB 4.43Å; R108-L147 HydrophobicContact CB-CD2 3.82Å; V113-L147 HydrophobicContact CG2-CD1 4.18Å; V113-L147 HydrophobicContact CG2-CD2 3.92Å; L147-P149 WeakPolarHBondContact O-CD 3.18Å; L147-L156 HydrophobicContact CD1-CB 4.19Å; L147-L156 HydrophobicContact CD1-CD1 4.1Å; L147-L171 HydrophobicContact CD1-CD1 3.74Å |
| 148 | C | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -62.2 | 127.1 | 178.9 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | R108 N150 N153 L155 L193 G197 | R108-C148 PolarHBondContact NE-O 3.03Å; R108-C148 PolarHBondContact NH2-O 3.07Å; C148-N150 VanDerWaalsContact C-N 3.32Å; C148-N153 VanDerWaalsContact CB-O 3.3Å; C148-N153 WeakPolarHBondContact CB-O 3.21Å; C148-N153 PolarHBondContact SG-O 2.8Å; C148-N153 VanDerWaalsContact SG-O 3.34Å; C148-L155 HydrophobicContact CB-CB 4.12Å; C148-L155 WeakPolarHBondContact CB-O 3.35Å; C148-L155 PolarHBondContact N-O 3.45Å; C148-L193 HydrophobicContact CB-CD2 3.67Å; C148-G197 VanDerWaalsContact SG-CA 3.6Å | ||
| 149 | P | 89.1 | Confident | 95.5 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | trans | -88.2 | -6 | -175.5 | 39.3 | -40.6 | 0 | 0 | 0 | 112.7 | Q20 F61 L147 L195 | Q20-P149 HydrophobicContact CB-CB 3.68Å; Q20-P149 HydrophobicContact CB-CG 4.05Å; Q20-P149 HydrophobicContact CG-CB 3.56Å; Q20-P149 HydrophobicContact CG-CG 4.37Å; F61-P149 HydrophobicContact CE1-CB 4.32Å; F61-P149 HydrophobicContact CE2-CB 3.88Å; F61-P149 HydrophobicContact CZ-CB 3.52Å; F61-P149 HydrophobicContact CZ-CG 4.3Å; L147-P149 WeakPolarHBondContact O-CD 3.18Å; P149-L195 HydrophobicContact CG-CD2 3.91Å | ||
| 150 | N | 89.7 | Confident | 95.5 | Very high | 56 Ų | 56 | 29.8 Ų | 29.8 | 30% | 0.299 | 17% | 0.171 | S | C | . | . | trans | -68.4 | 138.7 | 179.4 | -171.8 | -47.9 | 0 | 0 | 0 | 111.7 | C148 N152 N153 | C148-N150 VanDerWaalsContact C-N 3.32Å; N150-N152 VanDerWaalsContact C-N 3.28Å; N150-N152 PolarHBondContact O-N 3.23Å; N150-N152 PolarHBondContact OD1-N 2.81Å; N150-N153 HydrophobicContact CB-CB 4.12Å; N150-N153 PolarHBondContact O-N 2.78Å; N150-N153 VanDerWaalsContact O-O 3.07Å | ||
| 151 | S | 85.8 | Confident | 95.5 | Very high | 89 Ų | 89 | 33.1 Ų | 33.1 | 62% | 0.622 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -28.7 | -179.1 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 152 | N | 89.6 | Confident | 95.6 | Very high | 149 Ų | 149 | 35.7 Ų | 35.7 | 80% | 0.797 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -4 | -174.4 | -58.1 | -12.8 | 0 | 0 | 0 | 112.2 | N150 | N150-N152 VanDerWaalsContact C-N 3.28Å; N150-N152 PolarHBondContact O-N 3.23Å; N150-N152 PolarHBondContact OD1-N 2.81Å |
| 153 | N | 92 | Very high | 95.7 | Very high | 33 Ų | 33 | 34.8 Ų | 34.8 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | trans | -131.2 | 106.2 | -177.6 | -178.4 | -9.9 | 0 | 0 | 0 | 109.2 | C148 N150 L155 Q196 G197 | C148-N153 VanDerWaalsContact CB-O 3.3Å; C148-N153 WeakPolarHBondContact CB-O 3.21Å; C148-N153 PolarHBondContact SG-O 2.8Å; C148-N153 VanDerWaalsContact SG-O 3.34Å; N150-N153 HydrophobicContact CB-CB 4.12Å; N150-N153 PolarHBondContact O-N 2.78Å; N150-N153 VanDerWaalsContact O-O 3.07Å; N153-L155 VanDerWaalsContact C-N 3.34Å; N153-L155 PolarHBondContact O-N 3.44Å; N153-L155 WeakPolarHBondContact OD1-CB 3.03Å; N153-L155 WeakPolarHBondContact OD1-CD1 3.1Å; N153-L155 WeakPolarHBondContact OD1-CG 3.36Å; N153-L155 PolarHBondContact OD1-N 2.96Å; N153-Q196 PolarHBondContact ND2-O 2.72Å; N153-G197 PolarHBondContact ND2-O 3.42Å | ||
| 154 | S | 94.5 | Very high | 95.7 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | trans | -94.5 | 19.9 | -171.5 | -86.3 | 0 | 0 | 0 | 0 | 114.9 | R108 D170 L171 | R108-S154 VanDerWaalsContact CZ-CA 3.43Å; R108-S154 PolarHBondContact NH1-O 2.98Å; R108-S154 VanDerWaalsContact NH1-O 3.12Å; R108-S154 PolarHBondContact NH1-OG 3.13Å; R108-S154 PolarHBondContact NH2-O 3.08Å; S154-D170 WeakPolarHBondContact CB-OD1 3.45Å; S154-L171 WeakPolarHBondContact O-CB 3.49Å; S154-L171 WeakPolarHBondContact O-CG 3.4Å; S154-L171 PolarHBondContact O-N 3.49Å | ||
| 155 | L | 97.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 35.3 Ų | 35.3 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 139.6 | -175.6 | -70.3 | 165.6 | 0 | 0 | 0 | 113.8 | R108 C148 N153 I168 V169 D170 G197 | R108-L155 PolarHBondContact NH2-O 2.77Å; R108-L155 VanDerWaalsContact NH2-O 3.15Å; C148-L155 HydrophobicContact CB-CB 4.12Å; C148-L155 WeakPolarHBondContact CB-O 3.35Å; C148-L155 PolarHBondContact N-O 3.45Å; N153-L155 VanDerWaalsContact C-N 3.34Å; N153-L155 PolarHBondContact O-N 3.44Å; N153-L155 WeakPolarHBondContact OD1-CB 3.03Å; N153-L155 WeakPolarHBondContact OD1-CD1 3.1Å; N153-L155 WeakPolarHBondContact OD1-CG 3.36Å; N153-L155 PolarHBondContact OD1-N 2.96Å; L155-I168 HydrophobicContact CD2-CG2 3.59Å; L155-V169 CarbonylContact C-O 3.46Å; L155-V169 WeakPolarHBondContact CA-O 3.46Å; L155-D170 HydrophobicContact CD2-CB 4.3Å; L155-G197 WeakPolarHBondContact CD1-O 3.31Å |
| 156 | L | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 128 | 172.4 | 172.1 | 67.1 | 0 | 0 | 0 | 107 | V113 I120 V122 F135 C145 L147 F158 I168 V169 L171 | V113-L156 HydrophobicContact CG1-CD1 3.97Å; V113-L156 HydrophobicContact CG1-CD2 4.43Å; I120-L156 HydrophobicContact CG2-CD2 4.35Å; V122-L156 HydrophobicContact CG2-CD2 4.08Å; F135-L156 HydrophobicContact CD2-CD2 4.01Å; F135-L156 HydrophobicContact CE2-CD2 3.91Å; C145-L156 WeakPolarHBondContact SG-CD1 3.39Å; L147-L156 HydrophobicContact CD1-CB 4.19Å; L147-L156 HydrophobicContact CD1-CD1 4.1Å; L156-F158 HydrophobicContact CD1-CD1 4.42Å; L156-F158 HydrophobicContact CD2-CD1 4.07Å; L156-F158 HydrophobicContact CD2-CE1 3.83Å; L156-F158 HydrophobicContact CG-CD1 3.78Å; L156-F158 HydrophobicContact CG-CE1 3.88Å; L156-I168 WeakPolarHBondContact O-CA 3.23Å; L156-V169 PolarHBondContact N-O 2.93Å; L156-V169 PolarHBondContact O-N 3.09Å; L156-L171 HydrophobicContact CB-CD1 3.97Å; L156-L171 HydrophobicContact CB-CD2 4.17Å; L156-L171 HydrophobicContact CB-CG 3.88Å; L156-L171 HydrophobicContact CD2-CD1 4.28Å; L156-L171 HydrophobicContact CD2-CD2 3.9Å; L156-L171 HydrophobicContact CD2-CG 4.4Å |
| 157 | A | 98.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | C145 V146 V166 Q167 I168 I200 | C145-A157 WeakPolarHBondContact CA-O 3.22Å; V146-A157 HydrophobicContact CG2-CB 3.76Å; V146-A157 PolarHBondContact N-O 2.77Å; V146-A157 PolarHBondContact O-N 3.15Å; A157-V166 HydrophobicContact CB-CG1 4.17Å; A157-Q167 VanDerWaalsContact CA-O 3.27Å; A157-Q167 WeakPolarHBondContact CA-O 3.41Å; A157-I168 HydrophobicContact CB-CB 4.48Å; A157-I168 HydrophobicContact CB-CG1 3.89Å; A157-I168 HydrophobicContact CB-CG2 4.49Å; A157-I200 HydrophobicContact CB-CD1 3.54Å |
| 158 | F | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 163.9 | -173.2 | 48.2 | -91.1 | 0 | 0 | 0 | 111.2 | I120 F135 T137 L156 G160 V166 Q167 V169 | I120-F158 HydrophobicContact CD1-CB 3.29Å; I120-F158 HydrophobicContact CD1-CD1 3.81Å; I120-F158 HydrophobicContact CD1-CD2 4.03Å; I120-F158 HydrophobicContact CD1-CG 3.46Å; I120-F158 VanDerWaalsContact CD1-CG 3.46Å; F135-F158 HydrophobicContact CB-CE1 4.27Å; F135-F158 HydrophobicContact CB-CE2 3.85Å; F135-F158 HydrophobicContact CB-CZ 3.5Å; F135-F158 HydrophobicContact CD1-CZ 4.15Å; F135-F158 HydrophobicContact CD2-CE1 4.21Å; F135-F158 HydrophobicContact CD2-CZ 4.17Å; F135-F158 HydrophobicContact CG-CE1 4.19Å; F135-F158 AromaticContact CG-CZ 3.68Å; F135-F158 HydrophobicContact CG-CZ 3.68Å; T137-F158 HydrophobicContact CG2-CD2 3.74Å; T137-F158 HydrophobicContact CG2-CE2 4.29Å; T137-F158 HydrophobicContact CG2-CG 4.49Å; L156-F158 HydrophobicContact CD1-CD1 4.42Å; L156-F158 HydrophobicContact CD2-CD1 4.07Å; L156-F158 HydrophobicContact CD2-CE1 3.83Å; L156-F158 HydrophobicContact CG-CD1 3.78Å; L156-F158 HydrophobicContact CG-CE1 3.88Å; F158-G160 PolarHBondContact O-N 3.33Å; F158-V166 WeakPolarHBondContact O-CA 3.15Å; F158-Q167 HydrophobicContact CD2-CB 4.17Å; F158-Q167 HydrophobicContact CE2-CB 3.79Å; F158-Q167 HydrophobicContact CE2-CG 4.13Å; F158-Q167 HydrophobicContact CZ-CB 4.18Å; F158-Q167 HydrophobicContact CZ-CG 4.16Å; F158-Q167 PolarHBondContact N-O 3.07Å; F158-Q167 PolarHBondContact O-N 2.99Å; F158-V169 HydrophobicContact CE1-CG2 3.96Å; F158-V169 HydrophobicContact CZ-CG2 3.92Å |
| 159 | P | 98.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 125.1 | 171.4 | -22.9 | 33.7 | 0 | 0 | 0 | 111.2 | T137 C138 L144 H165 L188 | T137-P159 WeakPolarHBondContact CB-O 3.23Å; C138-P159 VanDerWaalsContact SG-CB 3.59Å; L144-P159 HydrophobicContact CB-CG 3.69Å; L144-P159 HydrophobicContact CD1-CG 4.1Å; L144-P159 HydrophobicContact CG-CG 4.45Å; L144-P159 WeakPolarHBondContact O-CD 3.27Å; P159-H165 WeakPolarHBondContact CA-O 3.37Å; P159-L188 HydrophobicContact CB-CD1 4.1Å; P159-L188 HydrophobicContact CG-CD1 4.16Å |
| 160 | G | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | trans | -67.8 | 179.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C138 F158 H162 H165 | C138-G160 VanDerWaalsContact CB-O 3.23Å; C138-G160 WeakPolarHBondContact CB-O 3.5Å; C138-G160 PolarHBondContact N-O 3.45Å; C138-G160 PolarHBondContact SG-O 3.32Å; F158-G160 PolarHBondContact O-N 3.33Å; G160-H162 PolarHBondContact O-N 2.98Å; G160-H165 PolarHBondContact N-O 3.01Å | ||
| 161 | T | 97.1 | Very high | 96.5 | Very high | 73 Ų | 73 | 34.2 Ų | 34.2 | 45% | 0.448 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -67.5 | -25 | 176.4 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | E136 | E136-T161 HydrophobicContact CB-CG2 4.07Š|
| 162 | H | 96.9 | Very high | 96.9 | Very high | 118 Ų | 118 | 33.5 Ų | 33.5 | 55% | 0.546 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -89.3 | 139.1 | 175 | -62.4 | 173.6 | 0 | 0 | 0 | 111.6 | G160 G164 H165 | G160-H162 PolarHBondContact O-N 2.98Å; H162-G164 PolarHBondContact O-N 3.18Å; H162-H165 HydrophobicContact CB-CB 4.17Å; H162-H165 WeakPolarHBondContact O-CB 3.36Å; H162-H165 PolarHBondContact O-N 3.09Å; H162-H165 VanDerWaalsContact O-N 3.17Å |
| 163 | S | 96.3 | Very high | 97.1 | Very high | 72 Ų | 72 | 30 Ų | 30 | 50% | 0.503 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 133 | 179.1 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | H165 A187 | S163-H165 PolarHBondContact O-N 3.07Å; S163-A187 PolarHBondContact OG-N 2.78Å |
| 164 | G | 97.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -3.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | H162 A183 H184 G186 | H162-G164 PolarHBondContact O-N 3.18Å; G164-A183 WeakPolarHBondContact O-CB 3.35Å; G164-A183 PolarHBondContact O-N 3.41Å; G164-A183 VanDerWaalsContact O-N 3.16Å; G164-H184 CarbonylContact C-O 3.58Å; G164-H184 VanDerWaalsContact CA-O 3.31Å; G164-H184 WeakPolarHBondContact CA-O 3.16Å; G164-H184 PolarHBondContact O-N 2.94Å; G164-G186 WeakPolarHBondContact CA-O 3.46Å |
| 165 | H | 98.7 | Very high | 97.1 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 18% | 0.176 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 148.2 | 173.8 | -76.8 | -130.2 | 0 | 0 | 0 | 112.2 | P159 G160 H162 S163 D180 I181 L188 | P159-H165 WeakPolarHBondContact CA-O 3.37Å; G160-H165 PolarHBondContact N-O 3.01Å; H162-H165 HydrophobicContact CB-CB 4.17Å; H162-H165 WeakPolarHBondContact O-CB 3.36Å; H162-H165 PolarHBondContact O-N 3.09Å; H162-H165 VanDerWaalsContact O-N 3.17Å; S163-H165 PolarHBondContact O-N 3.07Å; H165-D180 IonicContact CE1-OD2 3.46Å; H165-D180 PolarHBondContact CE1-OD2 2.85Å; H165-D180 IonicContact CG-OD1 3.68Å; H165-D180 VanDerWaalsContact ND1-CG 3.33Å; H165-D180 IonicContact ND1-OD1 3.05Å; H165-D180 PolarHBondContact ND1-OD1 2.99Å; H165-D180 IonicContact ND1-OD2 2.88Å; H165-D180 PolarHBondContact ND1-OD2 2.82Å; H165-I181 CarbonylContact C-O 3.34Å; H165-I181 VanDerWaalsContact CA-O 3.24Å; H165-I181 WeakPolarHBondContact CA-O 3.29Å; H165-L188 WeakPolarHBondContact O-CD1 3.33Å |
| 166 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.9 | 168.8 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | A157 F158 I168 I181 A183 L188 I191 I200 T202 | A157-V166 HydrophobicContact CB-CG1 4.17Å; F158-V166 WeakPolarHBondContact O-CA 3.15Å; V166-I168 HydrophobicContact CG1-CG1 4.14Å; V166-I181 HydrophobicContact CB-CB 4.39Å; V166-I181 PolarHBondContact N-O 2.62Å; V166-I181 PolarHBondContact O-N 3.02Å; V166-A183 HydrophobicContact CG2-CB 4.15Å; V166-L188 HydrophobicContact CG2-CD1 3.42Å; V166-L188 VanDerWaalsContact CG2-CD1 3.42Å; V166-L188 HydrophobicContact CG2-CD2 4.46Å; V166-I191 HydrophobicContact CG2-CG2 4.43Å; V166-I200 HydrophobicContact CG1-CD1 3.87Å; V166-T202 HydrophobicContact CG2-CG2 3.86Å |
| 167 | Q | 98.5 | Very high | 96.8 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134.2 | 172 | -166.5 | 169.8 | -43.3 | 0 | 0 | 109.6 | A157 F158 P178 V179 | A157-Q167 VanDerWaalsContact CA-O 3.27Å; A157-Q167 WeakPolarHBondContact CA-O 3.41Å; F158-Q167 HydrophobicContact CD2-CB 4.17Å; F158-Q167 HydrophobicContact CE2-CB 3.79Å; F158-Q167 HydrophobicContact CE2-CG 4.13Å; F158-Q167 HydrophobicContact CZ-CB 4.18Å; F158-Q167 HydrophobicContact CZ-CG 4.16Å; F158-Q167 PolarHBondContact N-O 3.07Å; F158-Q167 PolarHBondContact O-N 2.99Å; Q167-P178 HydrophobicContact CG-CB 3.76Å; Q167-P178 HydrophobicContact CG-CG 4.42Å; Q167-V179 CarbonylContact C-O 3.58Å; Q167-V179 WeakPolarHBondContact CA-O 3.3Å |
| 168 | I | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 127.8 | 178 | -51.4 | -175.2 | 0 | 0 | 0 | 109.2 | L155 L156 A157 V166 P178 V179 I181 I200 T215 | L155-I168 HydrophobicContact CD2-CG2 3.59Å; L156-I168 WeakPolarHBondContact O-CA 3.23Å; A157-I168 HydrophobicContact CB-CB 4.48Å; A157-I168 HydrophobicContact CB-CG1 3.89Å; A157-I168 HydrophobicContact CB-CG2 4.49Å; V166-I168 HydrophobicContact CG1-CG1 4.14Å; I168-P178 CarbonylContact O-C 3.57Å; I168-P178 VanDerWaalsContact O-CA 3.28Å; I168-P178 WeakPolarHBondContact O-CA 3.43Å; I168-P178 WeakPolarHBondContact O-CB 3.39Å; I168-V179 HydrophobicContact CB-CB 4.22Å; I168-V179 PolarHBondContact N-O 3.42Å; I168-V179 PolarHBondContact O-N 2.86Å; I168-I181 HydrophobicContact CD1-CD1 3.59Å; I168-I181 HydrophobicContact CG1-CD1 4.34Å; I168-I200 HydrophobicContact CD1-CG2 4.27Å; I168-T215 HydrophobicContact CD1-CG2 4.07Å |
| 169 | V | 98.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.9 | -179.4 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | F135 L155 L156 F158 L171 T174 P178 | F135-V169 HydrophobicContact CD1-CG2 4.26Å; F135-V169 HydrophobicContact CE1-CB 4.49Å; F135-V169 HydrophobicContact CE1-CG1 4Å; F135-V169 HydrophobicContact CE1-CG2 3.95Å; F135-V169 HydrophobicContact CZ-CB 4.35Å; F135-V169 HydrophobicContact CZ-CG1 3.77Å; F135-V169 HydrophobicContact CZ-CG2 4.25Å; L155-V169 CarbonylContact C-O 3.46Å; L155-V169 WeakPolarHBondContact CA-O 3.46Å; L156-V169 PolarHBondContact N-O 2.93Å; L156-V169 PolarHBondContact O-N 3.09Å; F158-V169 HydrophobicContact CE1-CG2 3.96Å; F158-V169 HydrophobicContact CZ-CG2 3.92Å; V169-L171 HydrophobicContact CG1-CD2 4.49Å; V169-T174 HydrophobicContact CG1-CG2 4.34Å; V169-P178 HydrophobicContact CG2-CB 4.1Å |
| 170 | D | 96.9 | Very high | 96.7 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 110.3 | 167.2 | -175 | -1.1 | 0 | 0 | 0 | 110.2 | S154 L155 A172 N173 T174 | S154-D170 WeakPolarHBondContact CB-OD1 3.45Å; L155-D170 HydrophobicContact CD2-CB 4.3Å; D170-A172 PolarHBondContact O-N 2.84Å; D170-A172 WeakPolarHBondContact OD1-CB 3.46Å; D170-A172 PolarHBondContact OD1-N 2.81Å; D170-N173 CarbonylContact O-C 3.56Å; D170-N173 PolarHBondContact O-N 2.98Å; D170-T174 PolarHBondContact O-N 3.37Å |
| 171 | L | 96.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -10.2 | 179.5 | -60 | -179.6 | 0 | 0 | 0 | 113.9 | R111 V113 V122 F135 L147 S154 L156 V169 | R111-L171 HydrophobicContact CG-CD1 4.43Å; V113-L171 HydrophobicContact CG2-CD1 4.41Å; V122-L171 HydrophobicContact CG1-CD1 4.24Å; V122-L171 HydrophobicContact CG1-CD2 4.46Å; V122-L171 HydrophobicContact CG2-CD2 4.17Å; F135-L171 HydrophobicContact CE2-CD2 3.98Å; F135-L171 HydrophobicContact CZ-CD2 4.22Å; L147-L171 HydrophobicContact CD1-CD1 3.74Å; S154-L171 WeakPolarHBondContact O-CB 3.49Å; S154-L171 WeakPolarHBondContact O-CG 3.4Å; S154-L171 PolarHBondContact O-N 3.49Å; L156-L171 HydrophobicContact CB-CD1 3.97Å; L156-L171 HydrophobicContact CB-CD2 4.17Å; L156-L171 HydrophobicContact CB-CG 3.88Å; L156-L171 HydrophobicContact CD2-CD1 4.28Å; L156-L171 HydrophobicContact CD2-CD2 3.9Å; L156-L171 HydrophobicContact CD2-CG 4.4Å; V169-L171 HydrophobicContact CG1-CD2 4.49Å |
| 172 | A | 94.2 | Very high | 96.8 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 61% | 0.612 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -18.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D170 | D170-A172 PolarHBondContact O-N 2.84Å; D170-A172 WeakPolarHBondContact OD1-CB 3.46Å; D170-A172 PolarHBondContact OD1-N 2.81Å |
| 173 | N | 94.5 | Very high | 96.9 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | trans | -145.5 | 76.3 | 179.3 | -174.1 | -1.9 | 0 | 0 | 0 | 110.8 | D170 E175 K176 | D170-N173 CarbonylContact O-C 3.56Å; D170-N173 PolarHBondContact O-N 2.98Å; N173-E175 PolarHBondContact O-N 2.98Å; N173-K176 WeakPolarHBondContact O-CB 3.46Å; N173-K176 PolarHBondContact O-N 2.82Å; N173-K176 PolarHBondContact OD1-N 3.25Å | ||
| 174 | T | 93 | Very high | 97 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -6.9 | -178.1 | 55 | 0 | 0 | 0 | 0 | 114.2 | H133 V169 D170 K176 | H133-T174 PolarHBondContact CE1-OG1 2.77Å; V169-T174 HydrophobicContact CG1-CG2 4.34Å; D170-T174 PolarHBondContact O-N 3.37Å; T174-K176 VanDerWaalsContact C-N 3.32Å |
| 175 | E | 93.4 | Very high | 96.9 | Very high | 183 Ų | 183 | 58.5 Ų | 58.5 | 86% | 0.855 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -26.6 | 171.9 | -62.5 | -175.9 | 170.8 | 0 | 0 | 111.5 | N173 | N173-E175 PolarHBondContact O-N 2.98Š|
| 176 | K | 94.6 | Very high | 96.8 | Very high | 111 Ų | 111 | 58.1 Ų | 58.1 | 48% | 0.483 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -65.1 | 133 | 173 | -172.7 | -177.8 | 175.6 | -175.9 | 0 | 109.2 | N173 T174 | N173-K176 WeakPolarHBondContact O-CB 3.46Å; N173-K176 PolarHBondContact O-N 2.82Å; N173-K176 PolarHBondContact OD1-N 3.25Å; T174-K176 VanDerWaalsContact C-N 3.32Å |
| 177 | P | 95.2 | Very high | 96.7 | Very high | 102 Ų | 102 | 59.7 Ų | 59.7 | 66% | 0.662 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 142.7 | 178 | 24.6 | -34.4 | 0 | 0 | 0 | 110.8 | ||
| 178 | P | 97.1 | Very high | 96.7 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 150.4 | 176.5 | 27.5 | -34.4 | 0 | 0 | 0 | 111.1 | Q167 I168 V169 | Q167-P178 HydrophobicContact CG-CB 3.76Å; Q167-P178 HydrophobicContact CG-CG 4.42Å; I168-P178 CarbonylContact O-C 3.57Å; I168-P178 VanDerWaalsContact O-CA 3.28Å; I168-P178 WeakPolarHBondContact O-CA 3.43Å; I168-P178 WeakPolarHBondContact O-CB 3.39Å; V169-P178 HydrophobicContact CG2-CB 4.1Å |
| 179 | V | 98.1 | Very high | 96.6 | Very high | 34 Ų | 34 | 58.9 Ų | 58.9 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.9 | 167.8 | -177.9 | 0 | 0 | 0 | 0 | 107.7 | Q167 I168 I181 | Q167-V179 CarbonylContact C-O 3.58Å; Q167-V179 WeakPolarHBondContact CA-O 3.3Å; I168-V179 HydrophobicContact CB-CB 4.22Å; I168-V179 PolarHBondContact N-O 3.42Å; I168-V179 PolarHBondContact O-N 2.86Å; V179-I181 HydrophobicContact CG1-CG1 4.05Å |
| 180 | D | 98.3 | Very high | 96.6 | Very high | 83 Ų | 83 | 59.1 Ų | 59.1 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.5 | 174.2 | -178 | 37.8 | 0 | 0 | 0 | 110 | H165 | H165-D180 IonicContact CE1-OD2 3.46Å; H165-D180 PolarHBondContact CE1-OD2 2.85Å; H165-D180 IonicContact CG-OD1 3.68Å; H165-D180 VanDerWaalsContact ND1-CG 3.33Å; H165-D180 IonicContact ND1-OD1 3.05Å; H165-D180 PolarHBondContact ND1-OD1 2.99Å; H165-D180 IonicContact ND1-OD2 2.88Å; H165-D180 PolarHBondContact ND1-OD2 2.82Å |
| 181 | I | 98.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 114.1 | -176.5 | -56.2 | -179.5 | 0 | 0 | 0 | 108.9 | H165 V166 I168 V179 A183 I200 F213 | H165-I181 CarbonylContact C-O 3.34Å; H165-I181 VanDerWaalsContact CA-O 3.24Å; H165-I181 WeakPolarHBondContact CA-O 3.29Å; V166-I181 HydrophobicContact CB-CB 4.39Å; V166-I181 PolarHBondContact N-O 2.62Å; V166-I181 PolarHBondContact O-N 3.02Å; I168-I181 HydrophobicContact CD1-CD1 3.59Å; I168-I181 HydrophobicContact CG1-CD1 4.34Å; V179-I181 HydrophobicContact CG1-CG1 4.05Å; I181-A183 HydrophobicContact CG2-CB 4.12Å; I181-A183 PolarHBondContact O-N 3.43Å; I181-I200 HydrophobicContact CD1-CG2 4.36Å; I181-F213 HydrophobicContact CD1-CB 4.02Å; I181-F213 HydrophobicContact CD1-CG 4.35Å; I181-F213 HydrophobicContact CG2-CD1 3.45Å; I181-F213 VanDerWaalsContact CG2-CD1 3.45Å; I181-F213 HydrophobicContact CG2-CD2 4.32Å; I181-F213 HydrophobicContact CG2-CE1 3.5Å; I181-F213 HydrophobicContact CG2-CE2 4.36Å; I181-F213 HydrophobicContact CG2-CG 3.89Å; I181-F213 HydrophobicContact CG2-CZ 3.98Å |
| 182 | P | 98.4 | Very high | 96.8 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 60% | 0.597 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 75.4 | 170.7 | 30.7 | -34.5 | 0 | 0 | 0 | 110 | ||
| 183 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -74.7 | -37.3 | -166 | 0 | 0 | 0 | 0 | 0 | 112.7 | G164 V166 I181 T202 R211 F213 | G164-A183 WeakPolarHBondContact O-CB 3.35Å; G164-A183 PolarHBondContact O-N 3.41Å; G164-A183 VanDerWaalsContact O-N 3.16Å; V166-A183 HydrophobicContact CG2-CB 4.15Å; I181-A183 HydrophobicContact CG2-CB 4.12Å; I181-A183 PolarHBondContact O-N 3.43Å; A183-T202 HydrophobicContact CB-CG2 4.42Å; A183-R211 VanDerWaalsContact O-CD 3.29Å; A183-R211 WeakPolarHBondContact O-CD 3.37Å; A183-R211 PolarHBondContact O-NH1 2.67Å; A183-F213 HydrophobicContact CB-CE2 3.82Å; A183-F213 HydrophobicContact CB-CZ 3.82Å | ||
| 184 | H | 98.4 | Very high | 97.1 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | trans | -145.7 | 157.8 | 179.8 | -63.7 | -93.3 | 0 | 0 | 0 | 111 | G164 G186 L188 T202 S204 | G164-H184 CarbonylContact C-O 3.58Å; G164-H184 VanDerWaalsContact CA-O 3.31Å; G164-H184 WeakPolarHBondContact CA-O 3.16Å; G164-H184 PolarHBondContact O-N 2.94Å; H184-G186 VanDerWaalsContact C-N 3.29Å; H184-L188 HydrophobicContact CB-CD2 4.5Å; H184-T202 PolarHBondContact CD2-OG1 3.15Å; H184-T202 PolarHBondContact NE2-O 2.81Å; H184-T202 PolarHBondContact NE2-OG1 2.9Å; H184-S204 PolarHBondContact ND1-OG 2.87Å | ||
| 185 | E | 96.4 | Very high | 97.2 | Very high | 196 Ų | 196 | 50.7 Ų | 50.7 | 92% | 0.916 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -73.2 | -22.5 | 173 | -62.4 | -64.7 | 147.3 | 0 | 0 | 112.8 | ||
| 186 | G | 95.9 | Very high | 97.2 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 32% | 0.32 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -120.6 | 169.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G164 H184 | G164-G186 WeakPolarHBondContact CA-O 3.46Å; H184-G186 VanDerWaalsContact C-N 3.29Å |
| 187 | A | 97.6 | Very high | 97.3 | Very high | 33 Ų | 33 | 40.1 Ų | 40.1 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | trans | -53.2 | 142.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S163 S204 E205 | S163-A187 PolarHBondContact OG-N 2.78Å; A187-S204 CarbonylContact O-C 3.53Å; A187-S204 WeakPolarHBondContact O-CA 3.41Å; A187-S204 VanDerWaalsContact O-CB 3.3Å; A187-S204 WeakPolarHBondContact O-CB 3.26Å; A187-E205 HydrophobicContact CB-CG 4.21Å; A187-E205 PolarHBondContact O-N 3.08Å | ||
| 188 | L | 98.4 | Very high | 97.4 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 138.6 | 177.2 | -61.8 | 175.8 | 0 | 0 | 0 | 110.1 | L144 P159 H165 V166 H184 I191 | L144-L188 HydrophobicContact CD1-CB 3.84Å; L144-L188 WeakPolarHBondContact CD1-O 3.43Å; P159-L188 HydrophobicContact CB-CD1 4.1Å; P159-L188 HydrophobicContact CG-CD1 4.16Å; H165-L188 WeakPolarHBondContact O-CD1 3.33Å; V166-L188 HydrophobicContact CG2-CD1 3.42Å; V166-L188 VanDerWaalsContact CG2-CD1 3.42Å; V166-L188 HydrophobicContact CG2-CD2 4.46Å; H184-L188 HydrophobicContact CB-CD2 4.5Å; L188-I191 HydrophobicContact CD1-CG2 4.21Å |
| 189 | C | 97.2 | Very high | 97.5 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -23.2 | 176.1 | 75.5 | 0 | 0 | 0 | 0 | 112.9 | A203 S204 E205 | C189-A203 PolarHBondContact N-O 2.65Å; C189-A203 PolarHBondContact SG-O 2.73Å; C189-S204 PolarHBondContact SG-O 3Å; C189-E205 HydrophobicContact CB-CG 4.07Å |
| 190 | C | 98.1 | Very high | 97.5 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 9% | 0.088 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 140.1 | -178.8 | -162.5 | 0 | 0 | 0 | 0 | 110.4 | A203 I233 I236 | C190-A203 HydrophobicContact CB-CB 4.42Å; C190-A203 PolarHBondContact N-O 2.93Å; C190-A203 PolarHBondContact O-N 3.17Å; C190-I233 HydrophobicContact CB-CB 4.28Å; C190-I233 HydrophobicContact CB-CG2 4Å; C190-I236 HydrophobicContact CB-CD1 4.11Å; C190-I236 HydrophobicContact CB-CG1 4.48Å |
| 191 | I | 98.6 | Very high | 97.5 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 8% | 0.077 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 143.6 | 173.2 | 60.3 | 173 | 0 | 0 | 0 | 109.2 | L144 V146 V166 L188 A201 T202 | L144-I191 HydrophobicContact CB-CD1 4.11Å; L144-I191 HydrophobicContact CB-CG1 4.18Å; V146-I191 HydrophobicContact CG1-CD1 4.3Å; V146-I191 HydrophobicContact CG1-CG1 4.01Å; V146-I191 HydrophobicContact CG2-CD1 4.14Å; V166-I191 HydrophobicContact CG2-CG2 4.43Å; L188-I191 HydrophobicContact CD1-CG2 4.21Å; I191-A201 CarbonylContact C-O 3.14Å; I191-A201 WeakPolarHBondContact CA-O 3.34Å; I191-T202 HydrophobicContact CG2-CG2 4.11Å |
| 192 | A | 98.5 | Very high | 97.5 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 138 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I200 A201 I236 | A192-I200 CarbonylContact O-C 3.52Å; A192-I200 WeakPolarHBondContact O-CA 3.29Å; A192-I200 WeakPolarHBondContact O-CG1 3.21Å; A192-A201 HydrophobicContact CB-CB 4.49Å; A192-A201 PolarHBondContact N-O 2.99Å; A192-A201 PolarHBondContact O-N 3.34Å; A192-I236 HydrophobicContact CB-CB 3.85Å; A192-I236 HydrophobicContact CB-CG2 3.88Å; A192-I236 WeakPolarHBondContact CB-O 2.9Å |
| 193 | L | 98.3 | Very high | 97.6 | Very high | 28 Ų | 28 | 27.2 Ų | 27.2 | 15% | 0.147 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 141.3 | 177.7 | -169.5 | 73.3 | 0 | 0 | 0 | 108.8 | V146 C148 R199 I200 T215 | V146-L193 HydrophobicContact CB-CB 3.93Å; V146-L193 HydrophobicContact CG2-CB 3.82Å; C148-L193 HydrophobicContact CB-CD2 3.67Å; L193-R199 WeakPolarHBondContact CD1-O 3.29Å; L193-I200 HydrophobicContact CD1-CB 4.16Å; L193-T215 HydrophobicContact CD1-CG2 3.73Å |
| 194 | N | 97.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | trans | -71.5 | 161.9 | 170.1 | 71.7 | -27.9 | 0 | 0 | 0 | 111.6 | Q196 G197 T198 R199 F238 A242 | N194-Q196 PolarHBondContact ND2-OE1 3.37Å; N194-Q196 PolarHBondContact O-N 3.1Å; N194-G197 PolarHBondContact O-N 3.19Å; N194-G197 WeakPolarHBondContact OD1-CA 3.32Å; N194-G197 PolarHBondContact OD1-N 3.46Å; N194-G197 VanDerWaalsContact OD1-N 3.11Å; N194-T198 PolarHBondContact ND2-OG1 2.87Å; N194-T198 PolarHBondContact OD1-N 3.06Å; N194-R199 PolarHBondContact N-O 3.17Å; N194-R199 PolarHBondContact OD1-N 3.07Å; N194-R199 PolarHBondContact OD1-O 3.17Å; N194-F238 HydrophobicContact CB-CB 4.02Å; N194-F238 HydrophobicContact CB-CD1 4.18Å; N194-F238 HydrophobicContact CB-CD2 3.82Å; N194-F238 HydrophobicContact CB-CE2 4.31Å; N194-F238 HydrophobicContact CB-CG 3.75Å; N194-A242 HydrophobicContact CB-CB 3.76Å | ||
| 195 | L | 94 | Very high | 97.5 | Very high | 35 Ų | 35 | 33 Ų | 33 | 18% | 0.183 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.7 | -178.4 | -77.9 | 176.7 | 0 | 0 | 0 | 113.9 | Q20 P149 G197 Q240 | Q20-L195 WeakPolarHBondContact O-CD2 3.5Å; P149-L195 HydrophobicContact CG-CD2 3.91Å; L195-G197 VanDerWaalsContact C-N 3.28Å; L195-Q240 HydrophobicContact CD1-CB 4.48Å; L195-Q240 HydrophobicContact CD1-CG 4.28Å |
| 196 | Q | 94.8 | Very high | 97.5 | Very high | 71 Ų | 71 | 30.5 Ų | 30.5 | 33% | 0.332 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -12.8 | 179.4 | -60.1 | 74.4 | 33.3 | 0 | 0 | 112.7 | N153 N194 T198 Q240 | N153-Q196 PolarHBondContact ND2-O 2.72Å; N194-Q196 PolarHBondContact ND2-OE1 3.37Å; N194-Q196 PolarHBondContact O-N 3.1Å; Q196-T198 HydrophobicContact CB-CG2 4.15Å; Q196-T198 PolarHBondContact O-N 2.86Å; Q196-Q240 PolarHBondContact NE2-O 2.99Å |
| 197 | G | 96.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 69.1 | 18.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C148 N153 L155 N194 L195 T215 | C148-G197 VanDerWaalsContact SG-CA 3.6Å; N153-G197 PolarHBondContact ND2-O 3.42Å; L155-G197 WeakPolarHBondContact CD1-O 3.31Å; N194-G197 PolarHBondContact O-N 3.19Å; N194-G197 WeakPolarHBondContact OD1-CA 3.32Å; N194-G197 PolarHBondContact OD1-N 3.46Å; N194-G197 VanDerWaalsContact OD1-N 3.11Å; L195-G197 VanDerWaalsContact C-N 3.28Å; G197-T215 PolarHBondContact O-OG1 3.22Å |
| 198 | T | 97.1 | Very high | 97.5 | Very high | 63 Ų | 63 | 27.9 Ų | 27.9 | 39% | 0.387 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -93.7 | -17.4 | -178.5 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | N194 Q196 T215 | N194-T198 PolarHBondContact ND2-OG1 2.87Å; N194-T198 PolarHBondContact OD1-N 3.06Å; Q196-T198 HydrophobicContact CB-CG2 4.15Å; Q196-T198 PolarHBondContact O-N 2.86Å; T198-T215 VanDerWaalsContact C-OG1 3.27Å; T198-T215 VanDerWaalsContact CA-OG1 3.29Å; T198-T215 WeakPolarHBondContact CA-OG1 3.19Å; T198-T215 PolarHBondContact O-N 3.17Å; T198-T215 VanDerWaalsContact O-N 3.08Å; T198-T215 PolarHBondContact O-OG1 3.29Å |
| 199 | R | 98.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 28.3 Ų | 28.3 | 17% | 0.17 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 136.7 | -177 | -59.5 | -174.9 | -173.1 | 177.2 | 9.5 | 112 | L193 N194 I212 F213 I221 F238 E260 | L193-R199 WeakPolarHBondContact CD1-O 3.29Å; N194-R199 PolarHBondContact N-O 3.17Å; N194-R199 PolarHBondContact OD1-N 3.07Å; N194-R199 PolarHBondContact OD1-O 3.17Å; R199-I212 HydrophobicContact CB-CG2 4.13Å; R199-F213 VanDerWaalsContact CA-O 3.28Å; R199-F213 WeakPolarHBondContact CA-O 3.47Å; R199-I221 HydrophobicContact CG-CD1 4.04Å; R199-F238 HydrophobicContact CB-CE1 4.3Å; R199-F238 HydrophobicContact CB-CZ 4.06Å; R199-E260 IonicContact CZ-OE1 3.41Å; R199-E260 IonicContact NH1-OE1 3.46Å; R199-E260 PolarHBondContact NH1-OE1 3.22Å; R199-E260 IonicContact NH2-OE1 2.72Å; R199-E260 PolarHBondContact NH2-OE1 2.8Å |
| 200 | I | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.1 | 174.1 | -173.5 | 160 | 0 | 0 | 0 | 110.3 | V146 A157 V166 I168 I181 A192 L193 T202 I212 F213 T215 | V146-I200 HydrophobicContact CG2-CD1 4.1Å; A157-I200 HydrophobicContact CB-CD1 3.54Å; V166-I200 HydrophobicContact CG1-CD1 3.87Å; I168-I200 HydrophobicContact CD1-CG2 4.27Å; I181-I200 HydrophobicContact CD1-CG2 4.36Å; A192-I200 CarbonylContact O-C 3.52Å; A192-I200 WeakPolarHBondContact O-CA 3.29Å; A192-I200 WeakPolarHBondContact O-CG1 3.21Å; L193-I200 HydrophobicContact CD1-CB 4.16Å; I200-T202 HydrophobicContact CG1-CG2 4.07Å; I200-I212 CarbonylContact O-C 3.56Å; I200-I212 VanDerWaalsContact O-CA 3.29Å; I200-I212 WeakPolarHBondContact O-CA 3.17Å; I200-F213 HydrophobicContact CG2-CB 3.84Å; I200-F213 HydrophobicContact CG2-CD2 4.48Å; I200-F213 PolarHBondContact N-O 3.46Å; I200-F213 PolarHBondContact O-N 3.15Å; I200-T215 HydrophobicContact CB-CG2 4Å; I200-T215 HydrophobicContact CG2-CG2 4.02Å |
| 201 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 136.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | I191 A192 I210 R211 I212 I236 F238 | I191-A201 CarbonylContact C-O 3.14Å; I191-A201 WeakPolarHBondContact CA-O 3.34Å; A192-A201 HydrophobicContact CB-CB 4.49Å; A192-A201 PolarHBondContact N-O 2.99Å; A192-A201 PolarHBondContact O-N 3.34Å; A201-I210 HydrophobicContact CB-CG2 4.39Å; A201-R211 CarbonylContact C-O 3.13Å; A201-R211 VanDerWaalsContact CA-O 3.27Å; A201-R211 WeakPolarHBondContact CA-O 3.44Å; A201-I212 HydrophobicContact CB-CG1 4.22Å; A201-I236 HydrophobicContact CB-CG2 3.83Å; A201-F238 HydrophobicContact CB-CE2 3.68Å; A201-F238 HydrophobicContact CB-CZ 3.73Å |
| 202 | T | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147 | -177.2 | 69.7 | 0 | 0 | 0 | 0 | 111.5 | V166 A183 H184 I191 I200 I210 R211 F213 | V166-T202 HydrophobicContact CG2-CG2 3.86Å; A183-T202 HydrophobicContact CB-CG2 4.42Å; H184-T202 PolarHBondContact CD2-OG1 3.15Å; H184-T202 PolarHBondContact NE2-O 2.81Å; H184-T202 PolarHBondContact NE2-OG1 2.9Å; I191-T202 HydrophobicContact CG2-CG2 4.11Å; I200-T202 HydrophobicContact CG1-CG2 4.07Å; T202-I210 WeakPolarHBondContact O-CA 3.3Å; T202-R211 PolarHBondContact N-O 3.12Å; T202-R211 PolarHBondContact O-N 2.94Å; T202-F213 HydrophobicContact CG2-CD2 4.43Å; T202-F213 HydrophobicContact CG2-CE2 4.41Å; T202-F213 WeakPolarHBondContact OG1-CE2 3.5Å |
| 203 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | C189 C190 I210 I233 I236 | C189-A203 PolarHBondContact N-O 2.65Å; C189-A203 PolarHBondContact SG-O 2.73Å; C190-A203 HydrophobicContact CB-CB 4.42Å; C190-A203 PolarHBondContact N-O 2.93Å; C190-A203 PolarHBondContact O-N 3.17Å; A203-I210 HydrophobicContact CB-CG1 4.32Å; A203-I233 HydrophobicContact CB-CB 4.28Å; A203-I233 HydrophobicContact CB-CG1 3.89Å; A203-I233 HydrophobicContact CB-CG2 4.46Å; A203-I236 HydrophobicContact CB-CD1 3.99Å |
| 204 | S | 98.3 | Very high | 97.5 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 169.8 | 170.3 | 52.2 | 0 | 0 | 0 | 0 | 112 | H184 A187 C189 K206 G207 | H184-S204 PolarHBondContact ND1-OG 2.87Å; A187-S204 CarbonylContact O-C 3.53Å; A187-S204 WeakPolarHBondContact O-CA 3.41Å; A187-S204 VanDerWaalsContact O-CB 3.3Å; A187-S204 WeakPolarHBondContact O-CB 3.26Å; C189-S204 PolarHBondContact SG-O 3Å; S204-K206 PolarHBondContact O-N 3.16Å; S204-K206 VanDerWaalsContact O-N 3.08Å; S204-G207 WeakPolarHBondContact O-CA 3.4Å; S204-G207 PolarHBondContact O-N 3.11Å |
| 205 | E | 96.9 | Very high | 97.5 | Very high | 122 Ų | 122 | 30.5 Ų | 30.5 | 57% | 0.57 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -23.3 | 173.6 | -67.3 | -175.3 | 153.4 | 0 | 0 | 113.7 | A187 C189 G207 | A187-E205 HydrophobicContact CB-CG 4.21Å; A187-E205 PolarHBondContact O-N 3.08Å; C189-E205 HydrophobicContact CB-CG 4.07Å; E205-G207 VanDerWaalsContact C-N 3.28Å; E205-G207 PolarHBondContact O-N 3.05Å |
| 206 | K | 97.3 | Very high | 97.6 | Very high | 142 Ų | 142 | 35.5 Ų | 35.5 | 62% | 0.617 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -32.4 | 170.9 | -168.5 | 174.6 | -177.5 | 171.6 | 0 | 112.1 | S204 T208 A230 A231 | S204-K206 PolarHBondContact O-N 3.16Å; S204-K206 VanDerWaalsContact O-N 3.08Å; K206-T208 HydrophobicContact CG-CG2 4.17Å; K206-T208 PolarHBondContact O-N 3.02Å; K206-A230 WeakPolarHBondContact O-CA 3.32Å; K206-A230 WeakPolarHBondContact O-CB 3.5Å; K206-A231 PolarHBondContact O-N 3.04Å |
| 207 | G | 96.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 56.4 | 19.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | S204 E205 R226 A231 | S204-G207 WeakPolarHBondContact O-CA 3.4Å; S204-G207 PolarHBondContact O-N 3.11Å; E205-G207 VanDerWaalsContact C-N 3.28Å; E205-G207 PolarHBondContact O-N 3.05Å; G207-R226 PolarHBondContact O-NE 2.9Å; G207-R226 VanDerWaalsContact O-NE 3.09Å; G207-R226 PolarHBondContact O-NH2 2.94Å; G207-A231 WeakPolarHBondContact CA-O 3.25Å | ||
| 208 | T | 96.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 35 Ų | 35 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -88.1 | -30.8 | 177.3 | 47.6 | 0 | 0 | 0 | 0 | 111.8 | K206 R226 Q229 | K206-T208 HydrophobicContact CG-CG2 4.17Å; K206-T208 PolarHBondContact O-N 3.02Å; T208-R226 PolarHBondContact O-N 3.3Å; T208-Q229 WeakPolarHBondContact CG2-O 3.16Å |
| 209 | L | 97.3 | Very high | 97.7 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 13% | 0.126 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141 | -175.6 | -65.1 | 175.9 | 0 | 0 | 0 | 110.4 | E223 L224 R225 | L209-E223 HydrophobicContact CB-CG 4.46Å; L209-E223 HydrophobicContact CD1-CG 4.32Å; L209-E223 HydrophobicContact CD2-CG 3.98Å; L209-E223 HydrophobicContact CG-CG 4.48Å; L209-L224 CarbonylContact C-O 3.56Å; L209-L224 WeakPolarHBondContact CA-O 3.19Å; L209-R225 HydrophobicContact CD2-CB 4.14Å; L209-R225 HydrophobicContact CD2-CG 4.42Å |
| 210 | I | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.5 | 171.6 | -63.2 | 87.9 | 0 | 0 | 0 | 106.5 | A201 T202 A203 L224 R226 I236 I245 L247 | A201-I210 HydrophobicContact CB-CG2 4.39Å; T202-I210 WeakPolarHBondContact O-CA 3.3Å; A203-I210 HydrophobicContact CB-CG1 4.32Å; I210-L224 HydrophobicContact CB-CB 4.37Å; I210-L224 PolarHBondContact N-O 3.49Å; I210-L224 PolarHBondContact O-N 2.86Å; I210-R226 HydrophobicContact CD1-CB 3.53Å; I210-R226 HydrophobicContact CD1-CG 4.36Å; I210-I236 HydrophobicContact CG1-CD1 4.44Å; I210-I236 HydrophobicContact CG2-CD1 4.15Å; I210-I245 HydrophobicContact CG2-CD1 4.03Å; I210-L247 HydrophobicContact CB-CD2 4.5Å; I210-L247 HydrophobicContact CD1-CD2 3.45Å; I210-L247 VanDerWaalsContact CD1-CD2 3.45Å; I210-L247 HydrophobicContact CG1-CD2 3.66Å |
| 211 | R | 98.6 | Very high | 97.6 | Very high | 54 Ų | 54 | 43.9 Ų | 43.9 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.5 | -177 | -72 | 178.9 | 179 | 141 | -0.5 | 109.5 | A183 A201 T202 F213 L220 Q222 E223 | A183-R211 VanDerWaalsContact O-CD 3.29Å; A183-R211 WeakPolarHBondContact O-CD 3.37Å; A183-R211 PolarHBondContact O-NH1 2.67Å; A201-R211 CarbonylContact C-O 3.13Å; A201-R211 VanDerWaalsContact CA-O 3.27Å; A201-R211 WeakPolarHBondContact CA-O 3.44Å; T202-R211 PolarHBondContact N-O 3.12Å; T202-R211 PolarHBondContact O-N 2.94Å; R211-F213 HydrophobicContact CB-CD2 4.21Å; R211-F213 HydrophobicContact CB-CE2 3.31Å; R211-F213 HydrophobicContact CB-CZ 3.64Å; R211-F213 HydrophobicContact CG-CE2 4.47Å; R211-F213 HydrophobicContact CG-CZ 4.4Å; R211-L220 HydrophobicContact CB-CD1 3.68Å; R211-L220 HydrophobicContact CG-CD1 3.87Å; R211-Q222 CarbonylContact C-O 3.55Å; R211-Q222 WeakPolarHBondContact CA-O 3.23Å; R211-E223 HydrophobicContact CG-CB 4.41Å; R211-E223 HydrophobicContact CG-CG 4.12Å; R211-E223 IonicContact CZ-OE2 3.27Å; R211-E223 VanDerWaalsContact CZ-OE2 3.27Å; R211-E223 IonicContact NE-OE2 2.8Å; R211-E223 PolarHBondContact NE-OE2 2.79Å; R211-E223 IonicContact NH2-OE2 2.83Å; R211-E223 PolarHBondContact NH2-OE2 3.38Å |
| 212 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.2 | 177 | -57.1 | 172.6 | 0 | 0 | 0 | 107.4 | R199 I200 A201 I221 Q222 L224 F238 I245 A259 | R199-I212 HydrophobicContact CB-CG2 4.13Å; I200-I212 CarbonylContact O-C 3.56Å; I200-I212 VanDerWaalsContact O-CA 3.29Å; I200-I212 WeakPolarHBondContact O-CA 3.17Å; A201-I212 HydrophobicContact CB-CG1 4.22Å; I212-I221 HydrophobicContact CG2-CD1 4.44Å; I212-I221 WeakPolarHBondContact O-CA 3.28Å; I212-I221 WeakPolarHBondContact O-CB 3.47Å; I212-I221 PolarHBondContact O-N 2.84Å; I212-Q222 HydrophobicContact CB-CB 4.2Å; I212-Q222 HydrophobicContact CD1-CB 4.28Å; I212-Q222 PolarHBondContact N-O 2.83Å; I212-Q222 PolarHBondContact O-N 2.9Å; I212-L224 HydrophobicContact CD1-CD1 3.81Å; I212-L224 HydrophobicContact CG1-CD1 4.5Å; I212-F238 HydrophobicContact CD1-CE1 4.33Å; I212-F238 HydrophobicContact CG1-CZ 4.48Å; I212-F238 HydrophobicContact CG2-CE1 4.34Å; I212-F238 HydrophobicContact CG2-CZ 4.1Å; I212-I245 HydrophobicContact CD1-CD1 4.27Å; I212-I245 HydrophobicContact CD1-CG2 4.31Å; I212-A259 HydrophobicContact CD1-CB 3.74Å |
| 213 | F | 98.7 | Very high | 97.3 | Very high | 10 Ų | 10 | 47.6 Ų | 47.6 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 151 | 180 | -57.1 | -98.8 | 0 | 0 | 0 | 110.8 | I181 A183 R199 I200 T202 R211 H219 L220 | I181-F213 HydrophobicContact CD1-CB 4.02Å; I181-F213 HydrophobicContact CD1-CG 4.35Å; I181-F213 HydrophobicContact CG2-CD1 3.45Å; I181-F213 VanDerWaalsContact CG2-CD1 3.45Å; I181-F213 HydrophobicContact CG2-CD2 4.32Å; I181-F213 HydrophobicContact CG2-CE1 3.5Å; I181-F213 HydrophobicContact CG2-CE2 4.36Å; I181-F213 HydrophobicContact CG2-CG 3.89Å; I181-F213 HydrophobicContact CG2-CZ 3.98Å; A183-F213 HydrophobicContact CB-CE2 3.82Å; A183-F213 HydrophobicContact CB-CZ 3.82Å; R199-F213 VanDerWaalsContact CA-O 3.28Å; R199-F213 WeakPolarHBondContact CA-O 3.47Å; I200-F213 HydrophobicContact CG2-CB 3.84Å; I200-F213 HydrophobicContact CG2-CD2 4.48Å; I200-F213 PolarHBondContact N-O 3.46Å; I200-F213 PolarHBondContact O-N 3.15Å; T202-F213 HydrophobicContact CG2-CD2 4.43Å; T202-F213 HydrophobicContact CG2-CE2 4.41Å; T202-F213 WeakPolarHBondContact OG1-CE2 3.5Å; R211-F213 HydrophobicContact CB-CD2 4.21Å; R211-F213 HydrophobicContact CB-CE2 3.31Å; R211-F213 HydrophobicContact CB-CZ 3.64Å; R211-F213 HydrophobicContact CG-CE2 4.47Å; R211-F213 HydrophobicContact CG-CZ 4.4Å; F213-H219 CarbonylContact C-O 3.59Å; F213-H219 VanDerWaalsContact CA-O 3.22Å; F213-H219 WeakPolarHBondContact CA-O 3.38Å; F213-L220 HydrophobicContact CD1-CB 4.02Å; F213-L220 HydrophobicContact CD1-CD1 4.16Å; F213-L220 HydrophobicContact CE1-CB 3.86Å; F213-L220 HydrophobicContact CE1-CD1 3.75Å; F213-L220 HydrophobicContact CE1-CG 4.4Å; F213-L220 HydrophobicContact CE2-CD1 4.27Å; F213-L220 HydrophobicContact CZ-CD1 3.8Å |
| 214 | D | 98 | Very high | 97.2 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 131 | 164.2 | -177 | -92.8 | 0 | 0 | 0 | 109.1 | M216 A217 G218 H219 I221 | D214-M216 WeakPolarHBondContact OD1-CA 3.44Å; D214-M216 WeakPolarHBondContact OD1-CB 3.41Å; D214-M216 PolarHBondContact OD1-N 2.99Å; D214-A217 PolarHBondContact OD1-N 3.36Å; D214-G218 WeakPolarHBondContact O-CA 3.37Å; D214-G218 PolarHBondContact O-N 3.45Å; D214-H219 PolarHBondContact N-O 3.22Å; D214-I221 HydrophobicContact CB-CD1 3.93Å; D214-I221 HydrophobicContact CB-CG1 4.18Å |
| 215 | T | 97.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -17.2 | -176.4 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | I168 L193 G197 T198 I200 | I168-T215 HydrophobicContact CD1-CG2 4.07Å; L193-T215 HydrophobicContact CD1-CG2 3.73Å; G197-T215 PolarHBondContact O-OG1 3.22Å; T198-T215 VanDerWaalsContact C-OG1 3.27Å; T198-T215 VanDerWaalsContact CA-OG1 3.29Å; T198-T215 WeakPolarHBondContact CA-OG1 3.19Å; T198-T215 PolarHBondContact O-N 3.17Å; T198-T215 VanDerWaalsContact O-N 3.08Å; T198-T215 PolarHBondContact O-OG1 3.29Å; I200-T215 HydrophobicContact CB-CG2 4Å; I200-T215 HydrophobicContact CG2-CG2 4.02Å |
| 216 | M | 95.5 | Very high | 97 | Very high | 141 Ų | 141 | 43 Ų | 43 | 70% | 0.695 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -46.3 | -179.1 | -178.3 | -179 | 65.2 | 0 | 0 | 111.3 | D214 | D214-M216 WeakPolarHBondContact OD1-CA 3.44Å; D214-M216 WeakPolarHBondContact OD1-CB 3.41Å; D214-M216 PolarHBondContact OD1-N 2.99Å |
| 217 | A | 95.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 39% | 0.388 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -17.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D214 H219 | D214-A217 PolarHBondContact OD1-N 3.36Å; A217-H219 PolarHBondContact O-CD2 2.96Å; A217-H219 PolarHBondContact O-N 2.93Å |
| 218 | G | 97.3 | Very high | 96.4 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | trans | 73.4 | 7.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D214 | D214-G218 WeakPolarHBondContact O-CA 3.37Å; D214-G218 PolarHBondContact O-N 3.45Å | ||
| 219 | H | 97.5 | Very high | 96.3 | Very high | 134 Ų | 134 | 46.5 Ų | 46.5 | 62% | 0.62 | 24% | 0.244 | S | C | * | . | trans | -76.1 | 140.5 | -176.9 | -65.3 | 165.4 | 0 | 0 | 0 | 112.1 | F213 D214 A217 I221 | F213-H219 CarbonylContact C-O 3.59Å; F213-H219 VanDerWaalsContact CA-O 3.22Å; F213-H219 WeakPolarHBondContact CA-O 3.38Å; D214-H219 PolarHBondContact N-O 3.22Å; A217-H219 PolarHBondContact O-CD2 2.96Å; A217-H219 PolarHBondContact O-N 2.93Å; H219-I221 PolarHBondContact O-N 2.91Å | ||
| 220 | L | 97.8 | Very high | 96.2 | Very high | 88 Ų | 88 | 48.2 Ų | 48.2 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 117.9 | 171.6 | 179.9 | 67.9 | 0 | 0 | 0 | 110.1 | R211 F213 Q222 | R211-L220 HydrophobicContact CB-CD1 3.68Å; R211-L220 HydrophobicContact CG-CD1 3.87Å; F213-L220 HydrophobicContact CD1-CB 4.02Å; F213-L220 HydrophobicContact CD1-CD1 4.16Å; F213-L220 HydrophobicContact CE1-CB 3.86Å; F213-L220 HydrophobicContact CE1-CD1 3.75Å; F213-L220 HydrophobicContact CE1-CG 4.4Å; F213-L220 HydrophobicContact CE2-CD1 4.27Å; F213-L220 HydrophobicContact CZ-CD1 3.8Å; L220-Q222 WeakPolarHBondContact CD1-O 3.27Å |
| 221 | I | 96.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -47.1 | 175.6 | -59.2 | 173 | 0 | 0 | 0 | 110.1 | R199 I212 D214 H219 | R199-I221 HydrophobicContact CG-CD1 4.04Å; I212-I221 HydrophobicContact CG2-CD1 4.44Å; I212-I221 WeakPolarHBondContact O-CA 3.28Å; I212-I221 WeakPolarHBondContact O-CB 3.47Å; I212-I221 PolarHBondContact O-N 2.84Å; D214-I221 HydrophobicContact CB-CD1 3.93Å; D214-I221 HydrophobicContact CB-CG1 4.18Å; H219-I221 PolarHBondContact O-N 2.91Å |
| 222 | Q | 95.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 139 | -171.1 | -171.7 | 93.5 | -41.7 | 0 | 0 | 111.2 | R211 I212 L220 L224 | R211-Q222 CarbonylContact C-O 3.55Å; R211-Q222 WeakPolarHBondContact CA-O 3.23Å; I212-Q222 HydrophobicContact CB-CB 4.2Å; I212-Q222 HydrophobicContact CD1-CB 4.28Å; I212-Q222 PolarHBondContact N-O 2.83Å; I212-Q222 PolarHBondContact O-N 2.9Å; L220-Q222 WeakPolarHBondContact CD1-O 3.27Å; Q222-L224 HydrophobicContact CG-CD1 4.31Å; Q222-L224 HydrophobicContact CG-CD2 3.5Å; Q222-L224 VanDerWaalsContact CG-CD2 3.5Å; Q222-L224 HydrophobicContact CG-CG 3.68Å |
| 223 | E | 96.4 | Very high | 95.8 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.1 | 165.3 | -174.9 | 174.9 | 96.1 | 0 | 0 | 109.4 | L209 R211 | L209-E223 HydrophobicContact CB-CG 4.46Å; L209-E223 HydrophobicContact CD1-CG 4.32Å; L209-E223 HydrophobicContact CD2-CG 3.98Å; L209-E223 HydrophobicContact CG-CG 4.48Å; R211-E223 HydrophobicContact CG-CB 4.41Å; R211-E223 HydrophobicContact CG-CG 4.12Å; R211-E223 IonicContact CZ-OE2 3.27Å; R211-E223 VanDerWaalsContact CZ-OE2 3.27Å; R211-E223 IonicContact NE-OE2 2.8Å; R211-E223 PolarHBondContact NE-OE2 2.79Å; R211-E223 IonicContact NH2-OE2 2.83Å; R211-E223 PolarHBondContact NH2-OE2 3.38Å |
| 224 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.6 | -174.8 | -61.5 | 173.9 | 0 | 0 | 0 | 109.4 | L209 I210 I212 Q222 I245 F257 K283 | L209-L224 CarbonylContact C-O 3.56Å; L209-L224 WeakPolarHBondContact CA-O 3.19Å; I210-L224 HydrophobicContact CB-CB 4.37Å; I210-L224 PolarHBondContact N-O 3.49Å; I210-L224 PolarHBondContact O-N 2.86Å; I212-L224 HydrophobicContact CD1-CD1 3.81Å; I212-L224 HydrophobicContact CG1-CD1 4.5Å; Q222-L224 HydrophobicContact CG-CD1 4.31Å; Q222-L224 HydrophobicContact CG-CD2 3.5Å; Q222-L224 VanDerWaalsContact CG-CD2 3.5Å; Q222-L224 HydrophobicContact CG-CG 3.68Å; L224-I245 HydrophobicContact CD1-CD1 3.38Å; L224-I245 HydrophobicContact CD1-CG1 3.93Å; L224-F257 HydrophobicContact CB-CD1 3.89Å; L224-F257 HydrophobicContact CB-CE1 3.95Å; L224-F257 HydrophobicContact CB-CG 4.42Å; L224-F257 HydrophobicContact CD1-CB 3.75Å; L224-F257 HydrophobicContact CD1-CD1 4.12Å; L224-F257 HydrophobicContact CD1-CG 3.93Å; L224-F257 HydrophobicContact CD2-CB 4.34Å; L224-F257 HydrophobicContact CD2-CD1 3.92Å; L224-F257 HydrophobicContact CD2-CG 4.45Å; L224-F257 HydrophobicContact CG-CD1 4.2Å; L224-K283 HydrophobicContact CD2-CB 4.13Å |
| 225 | R | 96.5 | Very high | 95.7 | Very high | 30 Ų | 30 | 50 Ų | 50 | 11% | 0.113 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 117.7 | 179.9 | -176.9 | 170.2 | -65.4 | -71.8 | -2.9 | 110.6 | L209 F257 S282 K283 W284 | L209-R225 HydrophobicContact CD2-CB 4.14Å; L209-R225 HydrophobicContact CD2-CG 4.42Å; R225-F257 WeakPolarHBondContact O-CE1 3.13Å; R225-S282 PolarHBondContact NE-OG 3.15Å; R225-S282 PolarHBondContact NH2-OG 3.09Å; R225-S282 VanDerWaalsContact NH2-OG 3.15Å; R225-K283 PolarHBondContact N-O 2.81Å; R225-W284 HydrophobicContact CB-CD2 4.25Å; R225-W284 HydrophobicContact CB-CE3 4.43Å; R225-W284 HydrophobicContact CG-CD2 4.11Å; R225-W284 HydrophobicContact CG-CE3 3.99Å; R225-W284 HydrophobicContact CG-CH2 3.81Å; R225-W284 HydrophobicContact CG-CZ2 3.9Å; R225-W284 HydrophobicContact CG-CZ3 3.85Å |
| 226 | R | 94.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | trans | -78.7 | -47.7 | 173 | -172.6 | -79.7 | -55.3 | 177.8 | 10.7 | 111.8 | G207 T208 I210 Q229 A230 A231 L247 H251 H255 | G207-R226 PolarHBondContact O-NE 2.9Å; G207-R226 VanDerWaalsContact O-NE 3.09Å; G207-R226 PolarHBondContact O-NH2 2.94Å; T208-R226 PolarHBondContact O-N 3.3Å; I210-R226 HydrophobicContact CD1-CB 3.53Å; I210-R226 HydrophobicContact CD1-CG 4.36Å; R226-Q229 PolarHBondContact NH2-O 3.16Å; R226-A230 VanDerWaalsContact NH2-C 3.32Å; R226-A231 VanDerWaalsContact NH1-CB 3.25Å; R226-A231 VanDerWaalsContact NH2-N 3.12Å; R226-L247 HydrophobicContact CB-CD1 4.49Å; R226-L247 HydrophobicContact CG-CD1 3.56Å; R226-H251 PolarHBondContact NH1-ND1 2.96Å; R226-H255 WeakPolarHBondContact CD-NE2 3.38Å; R226-H255 PolarHBondContact O-CE1 3.11Å; R226-H255 VanDerWaalsContact O-CE1 3.26Å | ||
| 227 | G | 92.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | trans | -158 | 164.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 228 | S | 89.4 | Confident | 96 | Very high | 81 Ų | 81 | 42.3 Ų | 42.3 | 57% | 0.566 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -78.7 | -34.9 | 166 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 229 | Q | 93 | Very high | 96 | Very high | 133 Ų | 133 | 42.4 Ų | 42.4 | 62% | 0.621 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -88.8 | 153.5 | 178.9 | -65.3 | -179.2 | -11.4 | 0 | 0 | 111.7 | T208 R226 | T208-Q229 WeakPolarHBondContact CG2-O 3.16Å; R226-Q229 PolarHBondContact NH2-O 3.16Å |
| 230 | A | 96.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 42.7 Ų | 42.7 | 50% | 0.496 | 23% | 0.227 | S | C | . | . | trans | -64.4 | 154.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | K206 R226 H251 | K206-A230 WeakPolarHBondContact O-CA 3.32Å; K206-A230 WeakPolarHBondContact O-CB 3.5Å; R226-A230 VanDerWaalsContact NH2-C 3.32Å; A230-H251 PolarHBondContact O-NE2 3.23Å; A230-H251 VanDerWaalsContact O-NE2 3.13Å | ||
| 231 | A | 95.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | trans | -155.5 | 150.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K206 G207 R226 I233 D250 | K206-A231 PolarHBondContact O-N 3.04Å; G207-A231 WeakPolarHBondContact CA-O 3.25Å; R226-A231 VanDerWaalsContact NH1-CB 3.25Å; R226-A231 VanDerWaalsContact NH2-N 3.12Å; A231-I233 PolarHBondContact O-N 2.91Å; A231-D250 WeakPolarHBondContact CA-OD1 3.29Å; A231-D250 WeakPolarHBondContact CB-OD1 3.1Å | ||
| 232 | N | 94.3 | Very high | 95.8 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 28% | 0.283 | 21% | 0.212 | S | C | . | . | trans | -76.8 | 116 | 166.7 | -171.9 | 28.8 | 0 | 0 | 0 | 109.7 | K142 Y234 S249 D250 | K142-N232 PolarHBondContact NZ-OD1 2.86Å; N232-Y234 VanDerWaalsContact ND2-CE1 3.29Å; N232-Y234 WeakPolarHBondContact ND2-CE1 3.15Å; N232-S249 CarbonylContact O-C 3.6Å; N232-S249 WeakPolarHBondContact O-CA 3.44Å; N232-S249 VanDerWaalsContact O-CB 3.27Å; N232-S249 WeakPolarHBondContact O-CB 3.42Å; N232-D250 HydrophobicContact CB-CB 4.23Å; N232-D250 VanDerWaalsContact CB-OD2 3.27Å; N232-D250 WeakPolarHBondContact CB-OD2 3.44Å; N232-D250 VanDerWaalsContact N-CG 3.31Å; N232-D250 PolarHBondContact N-OD1 3.44Å; N232-D250 PolarHBondContact N-OD2 2.93Å; N232-D250 PolarHBondContact O-N 3.23Å | ||
| 233 | I | 97.3 | Very high | 95.8 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.8 | 176 | -53 | -54.5 | 0 | 0 | 0 | 108.7 | C190 A203 A231 I236 L247 | C190-I233 HydrophobicContact CB-CB 4.28Å; C190-I233 HydrophobicContact CB-CG2 4Å; A203-I233 HydrophobicContact CB-CB 4.28Å; A203-I233 HydrophobicContact CB-CG1 3.89Å; A203-I233 HydrophobicContact CB-CG2 4.46Å; A231-I233 PolarHBondContact O-N 2.91Å; I233-I236 HydrophobicContact CG2-CD1 4.16Å; I233-I236 HydrophobicContact CG2-CG1 3.84Å; I233-L247 HydrophobicContact CD1-CD1 4.41Å |
| 234 | Y | 96.1 | Very high | 95.9 | Very high | 69 Ų | 69 | 37 Ų | 37 | 27% | 0.271 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -35.5 | -178.3 | -67.5 | -52.6 | 0 | 0 | 0 | 113.1 | N232 S248 S249 D250 P296 C297 | N232-Y234 VanDerWaalsContact ND2-CE1 3.29Å; N232-Y234 WeakPolarHBondContact ND2-CE1 3.15Å; Y234-S248 PolarHBondContact N-O 2.94Å; Y234-S249 VanDerWaalsContact CD2-C 3.43Å; Y234-S249 VanDerWaalsContact CE2-C 3.45Å; Y234-D250 VanDerWaalsContact CE2-CA 3.43Å; Y234-D250 HydrophobicContact CE2-CB 3.85Å; Y234-D250 WeakPolarHBondContact OH-CB 3.28Å; Y234-P296 HydrophobicContact CD1-CB 4.49Å; Y234-P296 HydrophobicContact CD2-CB 3.99Å; Y234-P296 HydrophobicContact CE1-CB 4.11Å; Y234-P296 HydrophobicContact CE1-CG 4.48Å; Y234-P296 HydrophobicContact CE2-CB 3.53Å; Y234-P296 HydrophobicContact CE2-CG 3.95Å; Y234-P296 HydrophobicContact CG-CB 4.45Å; Y234-C297 WeakPolarHBondContact CB-O 3.42Å |
| 235 | C | 97.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 37 Ų | 37 | 10% | 0.095 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 145.3 | -175 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | L247 S248 V298 C299 | C235-L247 CarbonylContact O-C 3.46Å; C235-L247 WeakPolarHBondContact O-CA 3.3Å; C235-L247 WeakPolarHBondContact O-CB 3.43Å; C235-S248 WeakPolarHBondContact CB-OG 3.46Å; C235-S248 PolarHBondContact N-OG 2.96Å; C235-S248 PolarHBondContact O-N 3.46Å; C235-V298 HydrophobicContact CB-CB 4.13Å; C235-V298 HydrophobicContact CB-CG1 4.18Å; C235-C299 PolarHBondContact SG-O 2.78Å; C235-C299 VanDerWaalsContact SG-O 3.37Å |
| 236 | I | 98.6 | Very high | 96 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 136.5 | 167.1 | -59.1 | 169.4 | 0 | 0 | 0 | 105.7 | C190 A192 A201 A203 I210 I233 C246 L247 | C190-I236 HydrophobicContact CB-CD1 4.11Å; C190-I236 HydrophobicContact CB-CG1 4.48Å; A192-I236 HydrophobicContact CB-CB 3.85Å; A192-I236 HydrophobicContact CB-CG2 3.88Å; A192-I236 WeakPolarHBondContact CB-O 2.9Å; A201-I236 HydrophobicContact CB-CG2 3.83Å; A203-I236 HydrophobicContact CB-CD1 3.99Å; I210-I236 HydrophobicContact CG1-CD1 4.44Å; I210-I236 HydrophobicContact CG2-CD1 4.15Å; I233-I236 HydrophobicContact CG2-CD1 4.16Å; I233-I236 HydrophobicContact CG2-CG1 3.84Å; I236-C246 WeakPolarHBondContact CA-O 3.46Å; I236-L247 HydrophobicContact CG1-CB 3.96Å |
| 237 | N | 98.6 | Very high | 96.2 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 144.7 | 171 | -86 | -38.2 | 0 | 0 | 0 | 110.9 | H22 I245 C246 C299 | H22-N237 VanDerWaalsContact NE2-CG 3.26Å; H22-N237 PolarHBondContact NE2-OD1 3.26Å; H22-N237 VanDerWaalsContact NE2-OD1 3.09Å; N237-I245 CarbonylContact O-C 3.57Å; N237-I245 VanDerWaalsContact O-CA 3.29Å; N237-I245 WeakPolarHBondContact O-CA 3Å; N237-C246 PolarHBondContact N-O 2.72Å; N237-C246 PolarHBondContact O-N 3.38Å; N237-C299 PolarHBondContact ND2-O 2.79Å |
| 238 | F | 98.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 153.5 | 167 | -70.8 | -91.8 | 0 | 0 | 0 | 109.8 | H22 N194 R199 A201 I212 A242 L244 I245 | H22-F238 PolarHBondContact CE1-O 2.92Å; N194-F238 HydrophobicContact CB-CB 4.02Å; N194-F238 HydrophobicContact CB-CD1 4.18Å; N194-F238 HydrophobicContact CB-CD2 3.82Å; N194-F238 HydrophobicContact CB-CE2 4.31Å; N194-F238 HydrophobicContact CB-CG 3.75Å; R199-F238 HydrophobicContact CB-CE1 4.3Å; R199-F238 HydrophobicContact CB-CZ 4.06Å; A201-F238 HydrophobicContact CB-CE2 3.68Å; A201-F238 HydrophobicContact CB-CZ 3.73Å; I212-F238 HydrophobicContact CD1-CE1 4.33Å; I212-F238 HydrophobicContact CG1-CZ 4.48Å; I212-F238 HydrophobicContact CG2-CE1 4.34Å; I212-F238 HydrophobicContact CG2-CZ 4.1Å; F238-A242 HydrophobicContact CB-CB 4.43Å; F238-A242 HydrophobicContact CD1-CB 3.76Å; F238-A242 HydrophobicContact CE1-CB 4.41Å; F238-A242 HydrophobicContact CG-CB 4.36Å; F238-L244 WeakPolarHBondContact CA-O 3.15Å; F238-I245 HydrophobicContact CD1-CG2 3.3Å; F238-I245 HydrophobicContact CD2-CG2 4.37Å; F238-I245 HydrophobicContact CE1-CG2 3.39Å; F238-I245 HydrophobicContact CE2-CG2 4.43Å; F238-I245 HydrophobicContact CG-CG2 3.84Å; F238-I245 HydrophobicContact CZ-CG2 3.98Å |
| 239 | N | 97.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 30.9 Ų | 30.9 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | trans | -75.6 | 177.2 | 161.1 | 72.7 | -28.1 | 0 | 0 | 0 | 110.4 | D241 A242 S243 L244 F301 | N239-D241 VanDerWaalsContact C-N 3.35Å; N239-D241 PolarHBondContact ND2-OD1 2.8Å; N239-D241 PolarHBondContact O-N 3.32Å; N239-D241 PolarHBondContact OD1-OD1 2.81Å; N239-D241 VanDerWaalsContact OD1-OD1 3.04Å; N239-A242 PolarHBondContact O-N 3.27Å; N239-A242 VanDerWaalsContact O-N 3.08Å; N239-A242 VanDerWaalsContact OD1-CA 3.32Å; N239-A242 WeakPolarHBondContact OD1-CA 3.29Å; N239-A242 PolarHBondContact OD1-N 3.4Å; N239-A242 VanDerWaalsContact OD1-N 3.16Å; N239-S243 PolarHBondContact ND2-OG 3.13Å; N239-S243 VanDerWaalsContact ND2-OG 3.17Å; N239-S243 PolarHBondContact OD1-N 3.32Å; N239-L244 HydrophobicContact CB-CB 4.27Å; N239-L244 PolarHBondContact N-O 3.39Å; N239-L244 PolarHBondContact OD1-N 3.03Å; N239-L244 PolarHBondContact OD1-O 3.34Å; N239-L244 VanDerWaalsContact OD1-O 3.11Å; N239-F301 HydrophobicContact CB-CB 4.11Å; N239-F301 HydrophobicContact CB-CD1 3.91Å; N239-F301 HydrophobicContact CB-CD2 3.41Å; N239-F301 VanDerWaalsContact CB-CD2 3.41Å; N239-F301 HydrophobicContact CB-CE1 4.17Å; N239-F301 HydrophobicContact CB-CE2 3.7Å; N239-F301 HydrophobicContact CB-CG 3.51Å; N239-F301 HydrophobicContact CB-CZ 4.08Å; N239-F301 VanDerWaalsContact N-CD2 3.3Å; N239-F301 VanDerWaalsContact N-CE2 3.32Å | ||
| 240 | Q | 94.7 | Very high | 96.7 | Very high | 140 Ų | 140 | 28 Ų | 28 | 65% | 0.654 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -38.3 | -170.5 | -71.6 | -155.5 | -12.2 | 0 | 0 | 114.9 | L195 Q196 | L195-Q240 HydrophobicContact CD1-CB 4.48Å; L195-Q240 HydrophobicContact CD1-CG 4.28Å; Q196-Q240 PolarHBondContact NE2-O 2.99Å |
| 241 | D | 95 | Very high | 96.3 | Very high | 93 Ų | 93 | 28.8 Ų | 28.8 | 50% | 0.497 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 2.9 | 179.4 | 66.7 | 1.3 | 0 | 0 | 0 | 113.3 | N239 S243 | N239-D241 VanDerWaalsContact C-N 3.35Å; N239-D241 PolarHBondContact ND2-OD1 2.8Å; N239-D241 PolarHBondContact O-N 3.32Å; N239-D241 PolarHBondContact OD1-OD1 2.81Å; N239-D241 VanDerWaalsContact OD1-OD1 3.04Å; D241-S243 VanDerWaalsContact CG-OG 3.28Å; D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact O-N 3.17Å; D241-S243 WeakPolarHBondContact OD1-CB 3.27Å; D241-S243 PolarHBondContact OD1-N 3.15Å; D241-S243 PolarHBondContact OD1-OG 3.17Å; D241-S243 PolarHBondContact OD2-OG 3.24Å |
| 242 | A | 96.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 58.2 | 17.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N194 F238 N239 L244 A259 | N194-A242 HydrophobicContact CB-CB 3.76Å; F238-A242 HydrophobicContact CB-CB 4.43Å; F238-A242 HydrophobicContact CD1-CB 3.76Å; F238-A242 HydrophobicContact CE1-CB 4.41Å; F238-A242 HydrophobicContact CG-CB 4.36Å; N239-A242 PolarHBondContact O-N 3.27Å; N239-A242 VanDerWaalsContact O-N 3.08Å; N239-A242 VanDerWaalsContact OD1-CA 3.32Å; N239-A242 WeakPolarHBondContact OD1-CA 3.29Å; N239-A242 PolarHBondContact OD1-N 3.4Å; N239-A242 VanDerWaalsContact OD1-N 3.16Å; A242-L244 VanDerWaalsContact C-N 3.31Å; A242-A259 WeakPolarHBondContact O-CB 3.37Å |
| 243 | S | 96.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 27 Ų | 27 | 12% | 0.119 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -74.2 | -22.7 | 174.5 | 69.2 | 0 | 0 | 0 | 0 | 112.7 | N239 D241 A259 E260 | N239-S243 PolarHBondContact ND2-OG 3.13Å; N239-S243 VanDerWaalsContact ND2-OG 3.17Å; N239-S243 PolarHBondContact OD1-N 3.32Å; D241-S243 VanDerWaalsContact CG-OG 3.28Å; D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact O-N 3.17Å; D241-S243 WeakPolarHBondContact OD1-CB 3.27Å; D241-S243 PolarHBondContact OD1-N 3.15Å; D241-S243 PolarHBondContact OD1-OG 3.17Å; D241-S243 PolarHBondContact OD2-OG 3.24Å; S243-A259 PolarHBondContact O-N 3.48Å; S243-E260 PolarHBondContact O-N 3.33Å |
| 244 | L | 97.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 153.4 | 179.1 | -55.3 | -179.8 | 0 | 0 | 0 | 111.9 | F238 N239 A242 F257 A258 F286 F301 F322 | F238-L244 WeakPolarHBondContact CA-O 3.15Å; N239-L244 HydrophobicContact CB-CB 4.27Å; N239-L244 PolarHBondContact N-O 3.39Å; N239-L244 PolarHBondContact OD1-N 3.03Å; N239-L244 PolarHBondContact OD1-O 3.34Å; N239-L244 VanDerWaalsContact OD1-O 3.11Å; A242-L244 VanDerWaalsContact C-N 3.31Å; L244-F257 VanDerWaalsContact CA-O 3.29Å; L244-F257 WeakPolarHBondContact CA-O 3.11Å; L244-A258 HydrophobicContact CD2-CB 4.32Å; L244-F286 HydrophobicContact CD2-CE1 3.87Å; L244-F286 HydrophobicContact CD2-CZ 4.09Å; L244-F301 HydrophobicContact CB-CE1 3.84Å; L244-F301 HydrophobicContact CB-CE2 4.27Å; L244-F301 HydrophobicContact CB-CZ 3.46Å; L244-F301 VanDerWaalsContact CB-CZ 3.46Å; L244-F301 HydrophobicContact CD1-CE1 3.84Å; L244-F301 HydrophobicContact CD1-CZ 4.35Å; L244-F322 HydrophobicContact CD1-CE2 4.01Å; L244-F322 HydrophobicContact CD1-CZ 3.72Å |
| 245 | I | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 144.5 | 163.9 | 62.8 | 161.2 | 0 | 0 | 0 | 111 | I210 I212 L224 N237 F238 I256 F257 A259 | I210-I245 HydrophobicContact CG2-CD1 4.03Å; I212-I245 HydrophobicContact CD1-CD1 4.27Å; I212-I245 HydrophobicContact CD1-CG2 4.31Å; L224-I245 HydrophobicContact CD1-CD1 3.38Å; L224-I245 HydrophobicContact CD1-CG1 3.93Å; N237-I245 CarbonylContact O-C 3.57Å; N237-I245 VanDerWaalsContact O-CA 3.29Å; N237-I245 WeakPolarHBondContact O-CA 3Å; F238-I245 HydrophobicContact CD1-CG2 3.3Å; F238-I245 HydrophobicContact CD2-CG2 4.37Å; F238-I245 HydrophobicContact CE1-CG2 3.39Å; F238-I245 HydrophobicContact CE2-CG2 4.43Å; F238-I245 HydrophobicContact CG-CG2 3.84Å; F238-I245 HydrophobicContact CZ-CG2 3.98Å; I245-I256 WeakPolarHBondContact O-CA 3.46Å; I245-F257 HydrophobicContact CD1-CB 4.4Å; I245-F257 HydrophobicContact CD1-CD2 4.26Å; I245-F257 HydrophobicContact CG1-CB 3.78Å; I245-F257 HydrophobicContact CG1-CD2 4.13Å; I245-F257 HydrophobicContact CG1-CG 4.34Å; I245-F257 PolarHBondContact N-O 3.2Å; I245-F257 PolarHBondContact O-N 2.84Å; I245-A259 HydrophobicContact CG2-CB 4.19Å |
| 246 | C | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 147 | 166.4 | 64 | 0 | 0 | 0 | 0 | 109.8 | I236 N237 V254 H255 F301 V308 | I236-C246 WeakPolarHBondContact CA-O 3.46Å; N237-C246 PolarHBondContact N-O 2.72Å; N237-C246 PolarHBondContact O-N 3.38Å; C246-V254 HydrophobicContact CB-CG1 4.5Å; C246-H255 CarbonylContact C-O 3.51Å; C246-H255 VanDerWaalsContact CA-O 3.25Å; C246-H255 WeakPolarHBondContact CA-O 3.44Å; C246-F301 HydrophobicContact CB-CE2 3.85Å; C246-F301 HydrophobicContact CB-CZ 3.92Å; C246-V308 HydrophobicContact CB-CG1 4.2Å; C246-V308 HydrophobicContact CB-CG2 4.43Å |
| 247 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.9 | 173.6 | 67 | 90.3 | 0 | 0 | 0 | 111.9 | I210 R226 I233 C235 I236 V254 H255 F257 C299 | I210-L247 HydrophobicContact CB-CD2 4.5Å; I210-L247 HydrophobicContact CD1-CD2 3.45Å; I210-L247 VanDerWaalsContact CD1-CD2 3.45Å; I210-L247 HydrophobicContact CG1-CD2 3.66Å; R226-L247 HydrophobicContact CB-CD1 4.49Å; R226-L247 HydrophobicContact CG-CD1 3.56Å; I233-L247 HydrophobicContact CD1-CD1 4.41Å; C235-L247 CarbonylContact O-C 3.46Å; C235-L247 WeakPolarHBondContact O-CA 3.3Å; C235-L247 WeakPolarHBondContact O-CB 3.43Å; I236-L247 HydrophobicContact CG1-CB 3.96Å; L247-V254 CarbonylContact O-C 3.53Å; L247-V254 VanDerWaalsContact O-CA 3.23Å; L247-V254 WeakPolarHBondContact O-CA 3.07Å; L247-H255 HydrophobicContact CD1-CB 4.05Å; L247-H255 HydrophobicContact CG-CB 4.03Å; L247-H255 PolarHBondContact N-O 2.88Å; L247-H255 PolarHBondContact O-N 2.87Å; L247-F257 HydrophobicContact CD2-CD2 4.1Å; L247-F257 HydrophobicContact CD2-CE2 3.45Å; L247-F257 VanDerWaalsContact CD2-CE2 3.45Å; L247-F257 HydrophobicContact CD2-CZ 4.28Å; L247-F257 HydrophobicContact CG-CE2 4.06Å; L247-C299 VanDerWaalsContact C-SG 3.54Å |
| 248 | S | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 150.8 | 176.3 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | Y234 C235 C297 | Y234-S248 PolarHBondContact N-O 2.94Å; C235-S248 WeakPolarHBondContact CB-OG 3.46Å; C235-S248 PolarHBondContact N-OG 2.96Å; C235-S248 PolarHBondContact O-N 3.46Å; S248-C297 WeakPolarHBondContact CB-O 3.47Å; S248-C297 PolarHBondContact OG-O 3.03Å |
| 249 | S | 95.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 174.2 | 176.9 | 85.3 | 0 | 0 | 0 | 0 | 112.7 | N232 Y234 H251 G252 | N232-S249 CarbonylContact O-C 3.6Å; N232-S249 WeakPolarHBondContact O-CA 3.44Å; N232-S249 VanDerWaalsContact O-CB 3.27Å; N232-S249 WeakPolarHBondContact O-CB 3.42Å; Y234-S249 VanDerWaalsContact CD2-C 3.43Å; Y234-S249 VanDerWaalsContact CE2-C 3.45Å; S249-H251 PolarHBondContact O-N 3.39Å; S249-H251 VanDerWaalsContact O-N 3.1Å; S249-H251 PolarHBondContact OG-N 3.42Å; S249-G252 PolarHBondContact O-N 3.38Å |
| 250 | D | 91.8 | Very high | 94.9 | Very high | 72 Ų | 72 | 25.9 Ų | 25.9 | 39% | 0.385 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -0.9 | 173.2 | 64 | -3.7 | 0 | 0 | 0 | 115.2 | A231 N232 Y234 G252 | A231-D250 WeakPolarHBondContact CA-OD1 3.29Å; A231-D250 WeakPolarHBondContact CB-OD1 3.1Å; N232-D250 HydrophobicContact CB-CB 4.23Å; N232-D250 VanDerWaalsContact CB-OD2 3.27Å; N232-D250 WeakPolarHBondContact CB-OD2 3.44Å; N232-D250 VanDerWaalsContact N-CG 3.31Å; N232-D250 PolarHBondContact N-OD1 3.44Å; N232-D250 PolarHBondContact N-OD2 2.93Å; N232-D250 PolarHBondContact O-N 3.23Å; Y234-D250 VanDerWaalsContact CE2-CA 3.43Å; Y234-D250 HydrophobicContact CE2-CB 3.85Å; Y234-D250 WeakPolarHBondContact OH-CB 3.28Å; D250-G252 PolarHBondContact O-N 2.81Å |
| 251 | H | 87.4 | Confident | 94.7 | Very high | 76 Ų | 76 | 22.5 Ų | 22.5 | 35% | 0.352 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.3 | 171.3 | -73.4 | -150.4 | 0 | 0 | 0 | 111.9 | R226 A230 S249 T253 | R226-H251 PolarHBondContact NH1-ND1 2.96Å; A230-H251 PolarHBondContact O-NE2 3.23Å; A230-H251 VanDerWaalsContact O-NE2 3.13Å; S249-H251 PolarHBondContact O-N 3.39Å; S249-H251 VanDerWaalsContact O-N 3.1Å; S249-H251 PolarHBondContact OG-N 3.42Å; H251-T253 PolarHBondContact O-N 3.15Å; H251-T253 VanDerWaalsContact O-N 3.17Å |
| 252 | G | 82.3 | Confident | 94.1 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 70.3 | 7.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | S249 D250 Q290 V291 | S249-G252 PolarHBondContact O-N 3.38Å; D250-G252 PolarHBondContact O-N 2.81Å; G252-Q290 WeakPolarHBondContact O-CA 3.44Å; G252-Q290 WeakPolarHBondContact O-CG 3.49Å; G252-V291 WeakPolarHBondContact O-CG2 3.29Å; G252-V291 PolarHBondContact O-N 2.9Å |
| 253 | T | 90.8 | Very high | 93.7 | Very high | 22 Ų | 22 | 29 Ų | 29 | 14% | 0.135 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.8 | -177.7 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | H251 H255 F289 Q290 | H251-T253 PolarHBondContact O-N 3.15Å; H251-T253 VanDerWaalsContact O-N 3.17Å; T253-H255 PolarHBondContact OG1-NE2 2.64Å; T253-F289 CarbonylContact C-O 3.54Å; T253-F289 VanDerWaalsContact CA-O 3.3Å; T253-F289 WeakPolarHBondContact CA-O 3.37Å; T253-Q290 HydrophobicContact CG2-CB 4.37Å; T253-Q290 HydrophobicContact CG2-CG 4.45Å |
| 254 | V | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.1 | 166.2 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | C246 L247 K288 F289 C299 V308 A310 | C246-V254 HydrophobicContact CB-CG1 4.5Å; L247-V254 CarbonylContact O-C 3.53Å; L247-V254 VanDerWaalsContact O-CA 3.23Å; L247-V254 WeakPolarHBondContact O-CA 3.07Å; V254-K288 CarbonylContact O-C 3.58Å; V254-K288 WeakPolarHBondContact O-CA 3.31Å; V254-K288 WeakPolarHBondContact O-CB 2.97Å; V254-F289 HydrophobicContact CB-CD1 4.26Å; V254-F289 HydrophobicContact CB-CD2 4.16Å; V254-F289 HydrophobicContact CB-CE1 3.77Å; V254-F289 HydrophobicContact CB-CE2 3.65Å; V254-F289 HydrophobicContact CB-CG 4.45Å; V254-F289 HydrophobicContact CB-CZ 3.45Å; V254-F289 VanDerWaalsContact CB-CZ 3.45Å; V254-F289 HydrophobicContact CG1-CE1 3.79Å; V254-F289 HydrophobicContact CG1-CE2 4.33Å; V254-F289 HydrophobicContact CG1-CZ 3.63Å; V254-F289 HydrophobicContact CG2-CD2 4.38Å; V254-F289 HydrophobicContact CG2-CE2 3.64Å; V254-F289 HydrophobicContact CG2-CZ 3.76Å; V254-F289 PolarHBondContact N-O 3.04Å; V254-F289 PolarHBondContact O-N 3.33Å; V254-C299 HydrophobicContact CG1-CB 3.99Å; V254-C299 HydrophobicContact CG2-CB 4.39Å; V254-V308 HydrophobicContact CG1-CG1 4.08Å; V254-A310 HydrophobicContact CG2-CB 4.44Å |
| 255 | H | 98 | Very high | 93.2 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 5% | 0.046 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 144.9 | 177.6 | -71 | -104.1 | 0 | 0 | 0 | 110.9 | R226 C246 L247 T253 F257 S285 | R226-H255 WeakPolarHBondContact CD-NE2 3.38Å; R226-H255 PolarHBondContact O-CE1 3.11Å; R226-H255 VanDerWaalsContact O-CE1 3.26Å; C246-H255 CarbonylContact C-O 3.51Å; C246-H255 VanDerWaalsContact CA-O 3.25Å; C246-H255 WeakPolarHBondContact CA-O 3.44Å; L247-H255 HydrophobicContact CD1-CB 4.05Å; L247-H255 HydrophobicContact CG-CB 4.03Å; L247-H255 PolarHBondContact N-O 2.88Å; L247-H255 PolarHBondContact O-N 2.87Å; T253-H255 PolarHBondContact OG1-NE2 2.64Å; H255-F257 HydrophobicContact CB-CD2 4.23Å; H255-F257 HydrophobicContact CB-CE2 3.44Å; H255-F257 VanDerWaalsContact CB-CE2 3.44Å; H255-F257 HydrophobicContact CB-CZ 4.06Å; H255-S285 PolarHBondContact ND1-OG 3.01Å |
| 256 | I | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.2 | 176.8 | -46.2 | 173.7 | 0 | 0 | 0 | 108.8 | I245 S285 F286 S287 F289 F301 V308 F322 | I245-I256 WeakPolarHBondContact O-CA 3.46Å; I256-S285 CarbonylContact O-C 3.5Å; I256-S285 VanDerWaalsContact O-CA 3.32Å; I256-S285 WeakPolarHBondContact O-CA 3.35Å; I256-S285 VanDerWaalsContact O-CB 3.26Å; I256-S285 WeakPolarHBondContact O-CB 3.19Å; I256-F286 HydrophobicContact CB-CE1 4.47Å; I256-F286 HydrophobicContact CB-CZ 4.19Å; I256-F286 HydrophobicContact CG2-CE1 3.88Å; I256-F286 HydrophobicContact CG2-CE2 4.32Å; I256-F286 HydrophobicContact CG2-CZ 3.52Å; I256-F286 WeakPolarHBondContact O-CD1 3.37Å; I256-F286 PolarHBondContact O-N 3.08Å; I256-F286 VanDerWaalsContact O-N 3.15Å; I256-S287 PolarHBondContact N-O 3.07Å; I256-S287 PolarHBondContact O-N 3.34Å; I256-F289 HydrophobicContact CD1-CE1 4.38Å; I256-F301 HydrophobicContact CG2-CE1 4.19Å; I256-F301 HydrophobicContact CG2-CZ 4.24Å; I256-V308 HydrophobicContact CD1-CG2 3.65Å; I256-V308 HydrophobicContact CG1-CG2 4.15Å; I256-F322 HydrophobicContact CD1-CB 3.92Å; I256-F322 HydrophobicContact CD1-CD1 3.48Å; I256-F322 VanDerWaalsContact CD1-CD1 3.48Å; I256-F322 HydrophobicContact CD1-CD2 4.3Å; I256-F322 HydrophobicContact CD1-CE1 4.01Å; I256-F322 HydrophobicContact CD1-CG 3.64Å; I256-F322 HydrophobicContact CG2-CE2 4.48Å; I256-F322 HydrophobicContact CG2-CZ 4.42Å |
| 257 | F | 98 | Very high | 92.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.5 | -179.5 | -58.8 | -102.1 | 0 | 0 | 0 | 110.8 | L224 R225 L244 I245 L247 H255 N265 S285 F286 | L224-F257 HydrophobicContact CB-CD1 3.89Å; L224-F257 HydrophobicContact CB-CE1 3.95Å; L224-F257 HydrophobicContact CB-CG 4.42Å; L224-F257 HydrophobicContact CD1-CB 3.75Å; L224-F257 HydrophobicContact CD1-CD1 4.12Å; L224-F257 HydrophobicContact CD1-CG 3.93Å; L224-F257 HydrophobicContact CD2-CB 4.34Å; L224-F257 HydrophobicContact CD2-CD1 3.92Å; L224-F257 HydrophobicContact CD2-CG 4.45Å; L224-F257 HydrophobicContact CG-CD1 4.2Å; R225-F257 WeakPolarHBondContact O-CE1 3.13Å; L244-F257 VanDerWaalsContact CA-O 3.29Å; L244-F257 WeakPolarHBondContact CA-O 3.11Å; I245-F257 HydrophobicContact CD1-CB 4.4Å; I245-F257 HydrophobicContact CD1-CD2 4.26Å; I245-F257 HydrophobicContact CG1-CB 3.78Å; I245-F257 HydrophobicContact CG1-CD2 4.13Å; I245-F257 HydrophobicContact CG1-CG 4.34Å; I245-F257 PolarHBondContact N-O 3.2Å; I245-F257 PolarHBondContact O-N 2.84Å; L247-F257 HydrophobicContact CD2-CD2 4.1Å; L247-F257 HydrophobicContact CD2-CE2 3.45Å; L247-F257 VanDerWaalsContact CD2-CE2 3.45Å; L247-F257 HydrophobicContact CD2-CZ 4.28Å; L247-F257 HydrophobicContact CG-CE2 4.06Å; H255-F257 HydrophobicContact CB-CD2 4.23Å; H255-F257 HydrophobicContact CB-CE2 3.44Å; H255-F257 VanDerWaalsContact CB-CE2 3.44Å; H255-F257 HydrophobicContact CB-CZ 4.06Å; F257-N265 WeakPolarHBondContact CA-OD1 3.39Å; F257-S285 VanDerWaalsContact CD1-CA 3.45Å; F257-S285 VanDerWaalsContact CE1-CA 3.48Å; F257-F286 VanDerWaalsContact C-CE1 3.47Å |
| 258 | A | 96.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 120.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | L244 D261 R264 N265 F286 | L244-A258 HydrophobicContact CD2-CB 4.32Å; A258-D261 WeakPolarHBondContact CB-O 3.35Å; A258-R264 HydrophobicContact CB-CB 3.77Å; A258-N265 PolarHBondContact N-OD1 2.77Å; A258-N265 PolarHBondContact O-ND2 2.89Å; A258-F286 HydrophobicContact CB-CD1 4.33Å; A258-F286 HydrophobicContact CB-CE1 4.33Å |
| 259 | A | 94.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -85.6 | -36.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I212 A242 S243 I245 | I212-A259 HydrophobicContact CD1-CB 3.74Å; A242-A259 WeakPolarHBondContact O-CB 3.37Å; S243-A259 PolarHBondContact O-N 3.48Å; I245-A259 HydrophobicContact CG2-CB 4.19Å |
| 260 | E | 90.1 | Very high | 89 | Confident | 97 Ų | 97 | 55.3 Ų | 55.3 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -93.5 | -47 | -178.2 | -77.7 | -171.7 | 155.9 | 0 | 0 | 114.5 | R199 S243 P262 | R199-E260 IonicContact CZ-OE1 3.41Å; R199-E260 IonicContact NH1-OE1 3.46Å; R199-E260 PolarHBondContact NH1-OE1 3.22Å; R199-E260 IonicContact NH2-OE1 2.72Å; R199-E260 PolarHBondContact NH2-OE1 2.8Å; S243-E260 PolarHBondContact O-N 3.33Å; E260-P262 WeakPolarHBondContact O-CD 3.49Å |
| 261 | D | 89.4 | Confident | 87.9 | Confident | 70 Ų | 70 | 53 Ų | 53 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | trans | -101.1 | 90.4 | 179 | -177.9 | 6.5 | 0 | 0 | 0 | 110.3 | A258 K263 R264 | A258-D261 WeakPolarHBondContact CB-O 3.35Å; D261-K263 PolarHBondContact O-N 3.11Å; D261-K263 VanDerWaalsContact O-N 3.09Å; D261-K263 VanDerWaalsContact OD1-CB 3.31Å; D261-K263 WeakPolarHBondContact OD1-CB 3.27Å; D261-K263 PolarHBondContact OD1-N 3.09Å; D261-R264 HydrophobicContact CB-CG 4.31Å; D261-R264 PolarHBondContact O-N 2.86Å; D261-R264 WeakPolarHBondContact OD2-CG 3.49Å | ||
| 262 | P | 83.3 | Confident | 87 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -59.9 | -20.5 | 179.7 | 21.9 | -33 | 0 | 0 | 0 | 114.2 | E260 R264 N265 K283 | E260-P262 WeakPolarHBondContact O-CD 3.49Å; P262-R264 PolarHBondContact O-N 2.79Å; P262-N265 WeakPolarHBondContact O-CB 3.49Å; P262-N265 PolarHBondContact O-N 2.98Å; P262-N265 VanDerWaalsContact O-N 3.11Å; P262-K283 HydrophobicContact CB-CD 3.63Å |
| 263 | K | 87.6 | Confident | 86.4 | Confident | 189 Ų | 189 | 56 Ų | 56 | 82% | 0.822 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -69.4 | -21.8 | -177.8 | -60.5 | 178.5 | -179.5 | 176.2 | 0 | 112.2 | D261 N265 | D261-K263 PolarHBondContact O-N 3.11Å; D261-K263 VanDerWaalsContact O-N 3.09Å; D261-K263 VanDerWaalsContact OD1-CB 3.31Å; D261-K263 WeakPolarHBondContact OD1-CB 3.27Å; D261-K263 PolarHBondContact OD1-N 3.09Å; K263-N265 VanDerWaalsContact C-N 3.29Å |
| 264 | R | 91.3 | Very high | 85.3 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -72.1 | -24.7 | 173.6 | -68.1 | 171.9 | 62.2 | -172.5 | -1.8 | 112.3 | A258 D261 P262 F286 | A258-R264 HydrophobicContact CB-CB 3.77Å; D261-R264 HydrophobicContact CB-CG 4.31Å; D261-R264 PolarHBondContact O-N 2.86Å; D261-R264 WeakPolarHBondContact OD2-CG 3.49Å; P262-R264 PolarHBondContact O-N 2.79Å; R264-F286 WeakPolarHBondContact O-CB 3.38Å |
| 265 | N | 93.1 | Very high | 84 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 5% | 0.053 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -73.8 | 145.9 | 178.3 | -69.6 | -37.7 | 0 | 0 | 0 | 110.9 | F257 A258 P262 K263 K283 W284 | F257-N265 WeakPolarHBondContact CA-OD1 3.39Å; A258-N265 PolarHBondContact N-OD1 2.77Å; A258-N265 PolarHBondContact O-ND2 2.89Å; P262-N265 WeakPolarHBondContact O-CB 3.49Å; P262-N265 PolarHBondContact O-N 2.98Å; P262-N265 VanDerWaalsContact O-N 3.11Å; K263-N265 VanDerWaalsContact C-N 3.29Å; N265-K283 HydrophobicContact CB-CB 4.08Å; N265-W284 CarbonylContact C-O 3.6Å; N265-W284 WeakPolarHBondContact CA-O 3.45Å; N265-W284 WeakPolarHBondContact CB-O 3.19Å |
| 266 | K | 88.8 | Confident | 82.4 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 52% | 0.522 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -67.7 | 137.9 | 177.2 | -72.9 | 174.7 | -176.8 | 173.4 | 0 | 109.4 | W284 F286 | K266-W284 HydrophobicContact CB-CB 4.06Å; K266-W284 PolarHBondContact N-O 2.9Å; K266-W284 WeakPolarHBondContact O-CB 3.21Å; K266-W284 PolarHBondContact O-N 3.45Å; K266-F286 VanDerWaalsContact CE-O 3.3Å; K266-F286 WeakPolarHBondContact CE-O 3.2Å; K266-F286 PolarHBondContact NZ-O 3.31Å |
| 267 | Q | 87.2 | Confident | 80.9 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | trans | -134.9 | 152.2 | 175.8 | -153.3 | -179 | 9.5 | 0 | 0 | 109 | A271 S281 | Q267-A271 VanDerWaalsContact CD-CB 3.42Å; Q267-A271 HydrophobicContact CG-CB 3.65Å; Q267-S281 PolarHBondContact NE2-O 3.37Å | ||
| 268 | S | 79 | Confident | 79.5 | Confident | 39 Ų | 39 | 83.7 Ų | 83.7 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | trans | -63.8 | 143.5 | 173.9 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | L270 A271 F280 | S268-L270 PolarHBondContact O-N 2.97Å; S268-L270 VanDerWaalsContact O-N 3.13Å; S268-L270 PolarHBondContact OG-N 2.84Å; S268-A271 WeakPolarHBondContact O-CB 3.37Å; S268-A271 PolarHBondContact O-N 2.8Å; S268-F280 WeakPolarHBondContact CB-O 3.44Å | ||
| 269 | S | 72.6 | Confident | 77.9 | Confident | 114 Ų | 114 | 88 Ų | 88 | 80% | 0.797 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.1 | 170.6 | 51.1 | 0 | 0 | 0 | 0 | 113 | A271 | S269-A271 VanDerWaalsContact C-N 3.35Š|
| 270 | L | 71 | Confident | 76.4 | Confident | 87 Ų | 87 | 90.8 Ų | 90.8 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.8 | 177.8 | -57.2 | 176.7 | 0 | 0 | 0 | 113.4 | S268 S272 A273 L276 F280 | S268-L270 PolarHBondContact O-N 2.97Å; S268-L270 VanDerWaalsContact O-N 3.13Å; S268-L270 PolarHBondContact OG-N 2.84Å; L270-S272 PolarHBondContact O-N 2.97Å; L270-A273 WeakPolarHBondContact O-CB 3.36Å; L270-A273 PolarHBondContact O-N 2.88Å; L270-A273 VanDerWaalsContact O-N 3.16Å; L270-L276 HydrophobicContact CB-CD1 3.61Å; L270-L276 HydrophobicContact CD1-CD1 4.14Å; L270-L276 HydrophobicContact CG-CD1 4.42Å; L270-F280 HydrophobicContact CB-CD1 4.05Å; L270-F280 HydrophobicContact CD1-CD1 4.27Å; L270-F280 HydrophobicContact CD1-CE1 4.05Å |
| 271 | A | 69.8 | Low | 75.7 | Confident | 23 Ų | 23 | 88.9 Ų | 88.9 | 19% | 0.19 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q267 S268 S269 F280 | Q267-A271 VanDerWaalsContact CD-CB 3.42Å; Q267-A271 HydrophobicContact CG-CB 3.65Å; S268-A271 WeakPolarHBondContact O-CB 3.37Å; S268-A271 PolarHBondContact O-N 2.8Å; S269-A271 VanDerWaalsContact C-N 3.35Å; A271-F280 WeakPolarHBondContact CA-O 3.13Å; A271-F280 WeakPolarHBondContact CB-O 3.27Å |
| 272 | S | 68.8 | Low | 75.4 | Confident | 116 Ų | 116 | 86 Ų | 86 | 81% | 0.811 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -10 | 178.8 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | L270 S274 | L270-S272 PolarHBondContact O-N 2.97Å; S272-S274 PolarHBondContact O-N 2.85Å |
| 273 | A | 69.1 | Low | 75.8 | Confident | 23 Ų | 23 | 86.7 Ų | 86.7 | 19% | 0.19 | 46% | 0.456 | C | S | . | . | trans | -79.1 | 104 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L270 F275 L276 | L270-A273 WeakPolarHBondContact O-CB 3.36Å; L270-A273 PolarHBondContact O-N 2.88Å; L270-A273 VanDerWaalsContact O-N 3.16Å; A273-F275 HydrophobicContact CB-CD1 4.15Å; A273-F275 HydrophobicContact CB-CE1 3.65Å; A273-F275 HydrophobicContact CB-CE2 4.15Å; A273-F275 HydrophobicContact CB-CZ 3.65Å; A273-F275 PolarHBondContact O-N 2.79Å; A273-F275 VanDerWaalsContact O-N 3.15Å; A273-L276 HydrophobicContact CB-CB 4.45Å; A273-L276 HydrophobicContact CB-CD1 3.72Å; A273-L276 HydrophobicContact CB-CG 3.84Å; A273-L276 PolarHBondContact O-N 2.99Å; A273-L276 VanDerWaalsContact O-N 3.15Å | ||
| 274 | S | 67.3 | Low | 76.1 | Confident | 123 Ų | 123 | 80.4 Ų | 80.4 | 86% | 0.86 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.6 | -178.2 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | S272 | S272-S274 PolarHBondContact O-N 2.85Š|
| 275 | F | 70.3 | Confident | 76.2 | Confident | 169 Ų | 169 | 75.9 Ų | 75.9 | 74% | 0.741 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.2 | 177.7 | 57.8 | -95 | 0 | 0 | 0 | 113.8 | A273 | A273-F275 HydrophobicContact CB-CD1 4.15Å; A273-F275 HydrophobicContact CB-CE1 3.65Å; A273-F275 HydrophobicContact CB-CE2 4.15Å; A273-F275 HydrophobicContact CB-CZ 3.65Å; A273-F275 PolarHBondContact O-N 2.79Å; A273-F275 VanDerWaalsContact O-N 3.15Å |
| 276 | L | 65 | Low | 76.4 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 27% | 0.272 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -91.6 | 152.6 | 179.7 | -68.4 | -178.6 | 0 | 0 | 0 | 112.1 | L270 A273 F280 | L270-L276 HydrophobicContact CB-CD1 3.61Å; L270-L276 HydrophobicContact CD1-CD1 4.14Å; L270-L276 HydrophobicContact CG-CD1 4.42Å; A273-L276 HydrophobicContact CB-CB 4.45Å; A273-L276 HydrophobicContact CB-CD1 3.72Å; A273-L276 HydrophobicContact CB-CG 3.84Å; A273-L276 PolarHBondContact O-N 2.99Å; A273-L276 VanDerWaalsContact O-N 3.15Å; L276-F280 HydrophobicContact CB-CB 4.23Å; L276-F280 HydrophobicContact CB-CD2 3.81Å; L276-F280 HydrophobicContact CB-CE2 4.49Å; L276-F280 HydrophobicContact CB-CG 4.16Å; L276-F280 HydrophobicContact CD1-CB 4.41Å; L276-F280 HydrophobicContact CD1-CD1 4.27Å; L276-F280 HydrophobicContact CD1-CD2 4.24Å; L276-F280 HydrophobicContact CD1-CG 4.04Å; L276-F280 HydrophobicContact CG-CD2 4.48Å |
| 277 | P | 66.6 | Low | 76.7 | Confident | 85 Ų | 85 | 70 Ų | 70 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | trans | -51.3 | 144.3 | 174.8 | -27.2 | 33.7 | 0 | 0 | 0 | 112.7 | Y279 F280 | P277-Y279 PolarHBondContact O-N 3.43Å; P277-F280 HydrophobicContact CB-CD2 4.36Å; P277-F280 HydrophobicContact CG-CD2 4.45Å; P277-F280 HydrophobicContact CG-CE2 4.37Å; P277-F280 PolarHBondContact O-N 3.34Å | ||
| 278 | K | 69.3 | Low | 77.2 | Confident | 185 Ų | 185 | 71 Ų | 71 | 80% | 0.804 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -17.6 | 177.9 | -69.8 | -173.8 | 177.9 | -179 | 0 | 114.6 | F280 S281 S282 | K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 2.86Å; K278-S281 PolarHBondContact O-N 2.95Å; K278-S281 PolarHBondContact O-OG 3.3Å; K278-S282 PolarHBondContact O-N 2.86Å; K278-S282 PolarHBondContact O-OG 2.93Å; K278-S282 VanDerWaalsContact O-OG 3.06Å |
| 279 | Y | 61.2 | Low | 78 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -39.5 | 170.3 | 179.3 | -96 | 0 | 0 | 0 | 113.2 | P277 S281 S282 W284 | P277-Y279 PolarHBondContact O-N 3.43Å; Y279-S281 VanDerWaalsContact C-N 3.31Å; Y279-S281 PolarHBondContact O-N 3.46Å; Y279-S282 WeakPolarHBondContact CA-OG 3.46Å; Y279-S282 WeakPolarHBondContact O-CB 3.39Å; Y279-S282 PolarHBondContact O-N 2.69Å; Y279-S282 VanDerWaalsContact O-N 3.16Å; Y279-S282 PolarHBondContact O-OG 3.5Å; Y279-S282 VanDerWaalsContact O-OG 3.13Å; Y279-W284 HydrophobicContact CD2-CZ2 4.3Å; Y279-W284 HydrophobicContact CE1-CZ2 4.15Å; Y279-W284 AromaticContact CE2-CH2 3.65Å; Y279-W284 HydrophobicContact CE2-CH2 3.65Å; Y279-W284 AromaticContact CE2-CZ2 3.4Å; Y279-W284 HydrophobicContact CE2-CZ2 3.4Å; Y279-W284 AromaticContact CZ-CH2 3.7Å; Y279-W284 AromaticContact CZ-CZ2 3.32Å; Y279-W284 WeakPolarHBondContact OH-CH2 3.38Å; Y279-W284 WeakPolarHBondContact OH-CZ2 3.39Å |
| 280 | F | 63.3 | Low | 79 | Confident | 60 Ų | 60 | 69.6 Ų | 69.6 | 26% | 0.263 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -27.6 | -178.2 | -73.2 | -85.2 | 0 | 0 | 0 | 113 | S268 L270 A271 L276 P277 K278 S282 | S268-F280 WeakPolarHBondContact CB-O 3.44Å; L270-F280 HydrophobicContact CB-CD1 4.05Å; L270-F280 HydrophobicContact CD1-CD1 4.27Å; L270-F280 HydrophobicContact CD1-CE1 4.05Å; A271-F280 WeakPolarHBondContact CA-O 3.13Å; A271-F280 WeakPolarHBondContact CB-O 3.27Å; L276-F280 HydrophobicContact CB-CB 4.23Å; L276-F280 HydrophobicContact CB-CD2 3.81Å; L276-F280 HydrophobicContact CB-CE2 4.49Å; L276-F280 HydrophobicContact CB-CG 4.16Å; L276-F280 HydrophobicContact CD1-CB 4.41Å; L276-F280 HydrophobicContact CD1-CD1 4.27Å; L276-F280 HydrophobicContact CD1-CD2 4.24Å; L276-F280 HydrophobicContact CD1-CG 4.04Å; L276-F280 HydrophobicContact CG-CD2 4.48Å; P277-F280 HydrophobicContact CB-CD2 4.36Å; P277-F280 HydrophobicContact CG-CD2 4.45Å; P277-F280 HydrophobicContact CG-CE2 4.37Å; P277-F280 PolarHBondContact O-N 3.34Å; K278-F280 VanDerWaalsContact C-N 3.29Å; K278-F280 PolarHBondContact O-N 2.86Å; F280-S282 VanDerWaalsContact C-N 3.32Å |
| 281 | S | 76.1 | Confident | 80 | Confident | 57 Ų | 57 | 65.5 Ų | 65.5 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -0.2 | 174.4 | 59.4 | 0 | 0 | 0 | 0 | 113.9 | Q267 K278 Y279 | Q267-S281 PolarHBondContact NE2-O 3.37Å; K278-S281 PolarHBondContact O-N 2.95Å; K278-S281 PolarHBondContact O-OG 3.3Å; Y279-S281 VanDerWaalsContact C-N 3.31Å; Y279-S281 PolarHBondContact O-N 3.46Å |
| 282 | S | 83.9 | Confident | 81 | Confident | 10 Ų | 10 | 68.1 Ų | 68.1 | 7% | 0.07 | 36% | 0.358 | C | S | . | . | trans | -69 | 145.2 | -177.6 | -63 | 0 | 0 | 0 | 0 | 113.2 | R225 K278 Y279 F280 | R225-S282 PolarHBondContact NE-OG 3.15Å; R225-S282 PolarHBondContact NH2-OG 3.09Å; R225-S282 VanDerWaalsContact NH2-OG 3.15Å; K278-S282 PolarHBondContact O-N 2.86Å; K278-S282 PolarHBondContact O-OG 2.93Å; K278-S282 VanDerWaalsContact O-OG 3.06Å; Y279-S282 WeakPolarHBondContact CA-OG 3.46Å; Y279-S282 WeakPolarHBondContact O-CB 3.39Å; Y279-S282 PolarHBondContact O-N 2.69Å; Y279-S282 VanDerWaalsContact O-N 3.16Å; Y279-S282 PolarHBondContact O-OG 3.5Å; Y279-S282 VanDerWaalsContact O-OG 3.13Å; F280-S282 VanDerWaalsContact C-N 3.32Å | ||
| 283 | K | 90.5 | Very high | 81.8 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120 | 178.2 | -63.6 | 171.6 | -177 | 168.5 | 0 | 110.3 | L224 R225 P262 N265 | L224-K283 HydrophobicContact CD2-CB 4.13Å; R225-K283 PolarHBondContact N-O 2.81Å; P262-K283 HydrophobicContact CB-CD 3.63Å; N265-K283 HydrophobicContact CB-CB 4.08Å |
| 284 | W | 93.1 | Very high | 82.7 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 21% | 0.212 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 158.6 | -176.9 | -60.5 | 80.9 | 0 | 0 | 0 | 111.7 | R225 N265 K266 Y279 F286 | R225-W284 HydrophobicContact CB-CD2 4.25Å; R225-W284 HydrophobicContact CB-CE3 4.43Å; R225-W284 HydrophobicContact CG-CD2 4.11Å; R225-W284 HydrophobicContact CG-CE3 3.99Å; R225-W284 HydrophobicContact CG-CH2 3.81Å; R225-W284 HydrophobicContact CG-CZ2 3.9Å; R225-W284 HydrophobicContact CG-CZ3 3.85Å; N265-W284 CarbonylContact C-O 3.6Å; N265-W284 WeakPolarHBondContact CA-O 3.45Å; N265-W284 WeakPolarHBondContact CB-O 3.19Å; K266-W284 HydrophobicContact CB-CB 4.06Å; K266-W284 PolarHBondContact N-O 2.9Å; K266-W284 WeakPolarHBondContact O-CB 3.21Å; K266-W284 PolarHBondContact O-N 3.45Å; Y279-W284 HydrophobicContact CD2-CZ2 4.3Å; Y279-W284 HydrophobicContact CE1-CZ2 4.15Å; Y279-W284 AromaticContact CE2-CH2 3.65Å; Y279-W284 HydrophobicContact CE2-CH2 3.65Å; Y279-W284 AromaticContact CE2-CZ2 3.4Å; Y279-W284 HydrophobicContact CE2-CZ2 3.4Å; Y279-W284 AromaticContact CZ-CH2 3.7Å; Y279-W284 AromaticContact CZ-CZ2 3.32Å; Y279-W284 WeakPolarHBondContact OH-CH2 3.38Å; Y279-W284 WeakPolarHBondContact OH-CZ2 3.39Å; W284-F286 PolarHBondContact O-N 2.75Å |
| 285 | S | 95 | Very high | 83.9 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | trans | -55.7 | 129.8 | 178.1 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | H255 I256 F257 S287 | H255-S285 PolarHBondContact ND1-OG 3.01Å; I256-S285 CarbonylContact O-C 3.5Å; I256-S285 VanDerWaalsContact O-CA 3.32Å; I256-S285 WeakPolarHBondContact O-CA 3.35Å; I256-S285 VanDerWaalsContact O-CB 3.26Å; I256-S285 WeakPolarHBondContact O-CB 3.19Å; F257-S285 VanDerWaalsContact CD1-CA 3.45Å; F257-S285 VanDerWaalsContact CE1-CA 3.48Å; S285-S287 VanDerWaalsContact C-N 3.27Å; S285-S287 WeakPolarHBondContact CB-O 3.45Å | ||
| 286 | F | 96 | Very high | 85 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -71.1 | -30.4 | 176.2 | 68.7 | -98.1 | 0 | 0 | 0 | 111.3 | L244 I256 F257 A258 R264 K266 W284 F322 G326 | L244-F286 HydrophobicContact CD2-CE1 3.87Å; L244-F286 HydrophobicContact CD2-CZ 4.09Å; I256-F286 HydrophobicContact CB-CE1 4.47Å; I256-F286 HydrophobicContact CB-CZ 4.19Å; I256-F286 HydrophobicContact CG2-CE1 3.88Å; I256-F286 HydrophobicContact CG2-CE2 4.32Å; I256-F286 HydrophobicContact CG2-CZ 3.52Å; I256-F286 WeakPolarHBondContact O-CD1 3.37Å; I256-F286 PolarHBondContact O-N 3.08Å; I256-F286 VanDerWaalsContact O-N 3.15Å; F257-F286 VanDerWaalsContact C-CE1 3.47Å; A258-F286 HydrophobicContact CB-CD1 4.33Å; A258-F286 HydrophobicContact CB-CE1 4.33Å; R264-F286 WeakPolarHBondContact O-CB 3.38Å; K266-F286 VanDerWaalsContact CE-O 3.3Å; K266-F286 WeakPolarHBondContact CE-O 3.2Å; K266-F286 PolarHBondContact NZ-O 3.31Å; W284-F286 PolarHBondContact O-N 2.75Å; F286-F322 AromaticContact CE2-CD2 3.92Å; F286-F322 HydrophobicContact CE2-CD2 3.92Å; F286-F322 HydrophobicContact CE2-CE2 4.15Å; F286-F322 HydrophobicContact CZ-CD2 4.23Å; F286-F322 HydrophobicContact CZ-CE2 4.01Å; F286-G326 VanDerWaalsContact O-CA 3.23Å; F286-G326 WeakPolarHBondContact O-CA 3.29Å |
| 287 | S | 96.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 149.8 | 178.2 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | I256 S285 G326 C328 | I256-S287 PolarHBondContact N-O 3.07Å; I256-S287 PolarHBondContact O-N 3.34Å; S285-S287 VanDerWaalsContact C-N 3.27Å; S285-S287 WeakPolarHBondContact CB-O 3.45Å; S287-G326 PolarHBondContact OG-O 3.41Å; S287-C328 PolarHBondContact OG-SG 3.4Å |
| 288 | K | 96.3 | Very high | 88 | Confident | 127 Ų | 127 | 49.8 Ų | 49.8 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 152.1 | 172 | 65.8 | 176 | -175.3 | 172.8 | 0 | 109.9 | V254 | V254-K288 CarbonylContact O-C 3.58Å; V254-K288 WeakPolarHBondContact O-CA 3.31Å; V254-K288 WeakPolarHBondContact O-CB 2.97Å |
| 289 | F | 95.8 | Very high | 89.4 | Confident | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 159.9 | 170.1 | 59.6 | -91.2 | 0 | 0 | 0 | 110.2 | T253 V254 I256 V291 V308 A310 F320 C328 | T253-F289 CarbonylContact C-O 3.54Å; T253-F289 VanDerWaalsContact CA-O 3.3Å; T253-F289 WeakPolarHBondContact CA-O 3.37Å; V254-F289 HydrophobicContact CB-CD1 4.26Å; V254-F289 HydrophobicContact CB-CD2 4.16Å; V254-F289 HydrophobicContact CB-CE1 3.77Å; V254-F289 HydrophobicContact CB-CE2 3.65Å; V254-F289 HydrophobicContact CB-CG 4.45Å; V254-F289 HydrophobicContact CB-CZ 3.45Å; V254-F289 VanDerWaalsContact CB-CZ 3.45Å; V254-F289 HydrophobicContact CG1-CE1 3.79Å; V254-F289 HydrophobicContact CG1-CE2 4.33Å; V254-F289 HydrophobicContact CG1-CZ 3.63Å; V254-F289 HydrophobicContact CG2-CD2 4.38Å; V254-F289 HydrophobicContact CG2-CE2 3.64Å; V254-F289 HydrophobicContact CG2-CZ 3.76Å; V254-F289 PolarHBondContact N-O 3.04Å; V254-F289 PolarHBondContact O-N 3.33Å; I256-F289 HydrophobicContact CD1-CE1 4.38Å; F289-V291 HydrophobicContact CE2-CG1 4.34Å; F289-V308 HydrophobicContact CE1-CB 3.94Å; F289-V308 HydrophobicContact CE1-CG1 3.98Å; F289-V308 HydrophobicContact CZ-CB 4.14Å; F289-V308 HydrophobicContact CZ-CG1 3.85Å; F289-A310 HydrophobicContact CE2-CB 4.36Å; F289-F320 HydrophobicContact CB-CD1 4.03Å; F289-F320 HydrophobicContact CB-CE1 4.14Å; F289-F320 HydrophobicContact CB-CG 4.44Å; F289-F320 HydrophobicContact CD1-CB 4.01Å; F289-F320 HydrophobicContact CD1-CD1 4.49Å; F289-F320 HydrophobicContact CD1-CG 4.15Å; F289-F320 HydrophobicContact CD2-CB 4.38Å; F289-F320 HydrophobicContact CD2-CD1 4.04Å; F289-F320 AromaticContact CD2-CD2 3.49Å; F289-F320 HydrophobicContact CD2-CD2 3.49Å; F289-F320 VanDerWaalsContact CD2-CD2 3.49Å; F289-F320 HydrophobicContact CD2-CE1 4.14Å; F289-F320 AromaticContact CD2-CE2 3.6Å; F289-F320 HydrophobicContact CD2-CE2 3.6Å; F289-F320 AromaticContact CD2-CG 3.71Å; F289-F320 HydrophobicContact CD2-CG 3.71Å; F289-F320 AromaticContact CD2-CZ 3.93Å; F289-F320 HydrophobicContact CD2-CZ 3.93Å; F289-F320 HydrophobicContact CE1-CB 3.91Å; F289-F320 HydrophobicContact CE1-CG 4.29Å; F289-F320 HydrophobicContact CE2-CB 4.29Å; F289-F320 AromaticContact CE2-CD2 3.37Å; F289-F320 HydrophobicContact CE2-CD2 3.37Å; F289-F320 AromaticContact CE2-CE2 3.74Å; F289-F320 HydrophobicContact CE2-CE2 3.74Å; F289-F320 AromaticContact CE2-CG 3.87Å; F289-F320 HydrophobicContact CE2-CG 3.87Å; F289-F320 HydrophobicContact CG-CB 4.23Å; F289-F320 AromaticContact CG-CD1 3.95Å; F289-F320 HydrophobicContact CG-CD1 3.95Å; F289-F320 HydrophobicContact CG-CD2 4.13Å; F289-F320 HydrophobicContact CG-CE1 4.3Å; F289-F320 HydrophobicContact CG-CE2 4.45Å; F289-F320 AromaticContact CG-CG 3.85Å; F289-F320 HydrophobicContact CG-CG 3.85Å; F289-F320 HydrophobicContact CZ-CB 4.04Å; F289-F320 AromaticContact CZ-CD2 3.91Å; F289-F320 HydrophobicContact CZ-CD2 3.91Å; F289-F320 HydrophobicContact CZ-CG 4.14Å; F289-C328 HydrophobicContact CB-CB 3.85Å; F289-C328 HydrophobicContact CD1-CB 4.49Å |
| 290 | Q | 94.7 | Very high | 91.2 | Very high | 113 Ų | 113 | 36.6 Ų | 36.6 | 53% | 0.528 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.7 | 176 | -171.3 | 171.4 | -0.8 | 0 | 0 | 108.9 | G252 T253 N294 | G252-Q290 WeakPolarHBondContact O-CA 3.44Å; G252-Q290 WeakPolarHBondContact O-CG 3.49Å; T253-Q290 HydrophobicContact CG2-CB 4.37Å; T253-Q290 HydrophobicContact CG2-CG 4.45Å; Q290-N294 PolarHBondContact NE2-OD1 3.19Å |
| 291 | V | 92.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -74.6 | 125.9 | 171 | -70.3 | 0 | 0 | 0 | 0 | 108.5 | G252 F289 S293 N294 A310 Y318 | G252-V291 WeakPolarHBondContact O-CG2 3.29Å; G252-V291 PolarHBondContact O-N 2.9Å; F289-V291 HydrophobicContact CE2-CG1 4.34Å; V291-S293 PolarHBondContact O-N 2.85Å; V291-S293 VanDerWaalsContact O-N 3.12Å; V291-N294 PolarHBondContact O-N 3.25Å; V291-A310 HydrophobicContact CG1-CB 3.85Å; V291-Y318 HydrophobicContact CB-CE2 4.46Å; V291-Y318 HydrophobicContact CG1-CD2 4.26Å | ||
| 292 | P | 90.4 | Very high | 93.9 | Very high | 78 Ų | 78 | 32.6 Ų | 32.6 | 51% | 0.506 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -32.7 | -173.5 | -30.3 | 35.7 | 0 | 0 | 0 | 115.2 | N294 Y318 | P292-N294 VanDerWaalsContact C-N 3.29Å; P292-N294 PolarHBondContact O-N 3.08Å; P292-Y318 HydrophobicContact CG-CE1 3.93Å |
| 293 | S | 85.1 | Confident | 94.4 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 28% | 0.28 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -12.2 | 179.7 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | V291 S295 D314 | V291-S293 PolarHBondContact O-N 2.85Å; V291-S293 VanDerWaalsContact O-N 3.12Å; S293-S295 PolarHBondContact O-N 3.37Å; S293-D314 WeakPolarHBondContact CB-OD2 3.3Å; S293-D314 PolarHBondContact OG-OD2 2.95Å |
| 294 | N | 88.9 | Confident | 94.7 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | trans | 52.5 | 13.3 | -168.6 | -62.2 | -51.5 | 0 | 0 | 0 | 114.3 | Q290 V291 P292 | Q290-N294 PolarHBondContact NE2-OD1 3.19Å; V291-N294 PolarHBondContact O-N 3.25Å; P292-N294 VanDerWaalsContact C-N 3.29Å; P292-N294 PolarHBondContact O-N 3.08Å | ||
| 295 | S | 92.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | trans | -71.7 | 149.5 | 177.2 | -75.5 | 0 | 0 | 0 | 0 | 111 | H9 S293 C297 | H9-S295 PolarHBondContact CE1-OG 2.83Å; H9-S295 PolarHBondContact NE2-OG 2.83Å; S293-S295 PolarHBondContact O-N 3.37Å; S295-C297 PolarHBondContact O-N 2.78Å | ||
| 296 | P | 93.9 | Very high | 94.8 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 25% | 0.253 | 24% | 0.242 | S | C | . | . | trans | -51 | 135.3 | 169.5 | -26.6 | 35.4 | 0 | 0 | 0 | 110.8 | Y234 C312 A313 | Y234-P296 HydrophobicContact CD1-CB 4.49Å; Y234-P296 HydrophobicContact CD2-CB 3.99Å; Y234-P296 HydrophobicContact CE1-CB 4.11Å; Y234-P296 HydrophobicContact CE1-CG 4.48Å; Y234-P296 HydrophobicContact CE2-CB 3.53Å; Y234-P296 HydrophobicContact CE2-CG 3.95Å; Y234-P296 HydrophobicContact CG-CB 4.45Å; P296-C312 CarbonylContact O-C 3.52Å; P296-C312 WeakPolarHBondContact O-CA 3.17Å; P296-A313 HydrophobicContact CB-CB 4.47Å; P296-A313 PolarHBondContact O-N 3.29Å | ||
| 297 | C | 96.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151.6 | 179.6 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | Y234 S248 S295 A310 I311 C312 | Y234-C297 WeakPolarHBondContact CB-O 3.42Å; S248-C297 WeakPolarHBondContact CB-O 3.47Å; S248-C297 PolarHBondContact OG-O 3.03Å; S295-C297 PolarHBondContact O-N 2.78Å; C297-A310 HydrophobicContact CB-CB 4.42Å; C297-I311 CarbonylContact C-O 3.52Å; C297-I311 WeakPolarHBondContact CA-O 3.23Å; C297-I311 VanDerWaalsContact CB-O 3.27Å; C297-I311 WeakPolarHBondContact CB-O 3.22Å; C297-C312 HydrophobicContact CB-CB 4.31Å; C297-C312 VanDerWaalsContact CB-SG 3.55Å |
| 298 | V | 97.6 | Very high | 95 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 149 | 159 | -65.4 | 0 | 0 | 0 | 0 | 109.1 | M1 F18 C235 A310 I311 | M1-V298 HydrophobicContact CB-CG1 3.67Å; M1-V298 HydrophobicContact CG-CG1 3.89Å; M1-V298 HydrophobicContact SD-CG1 4.1Å; F18-V298 HydrophobicContact CD2-CB 4.41Å; F18-V298 HydrophobicContact CD2-CG2 4.12Å; F18-V298 HydrophobicContact CE2-CB 4.12Å; F18-V298 HydrophobicContact CE2-CG2 3.72Å; C235-V298 HydrophobicContact CB-CB 4.13Å; C235-V298 HydrophobicContact CB-CG1 4.18Å; V298-A310 WeakPolarHBondContact O-CA 3.44Å; V298-I311 HydrophobicContact CG2-CB 3.83Å; V298-I311 HydrophobicContact CG2-CD1 4.33Å; V298-I311 PolarHBondContact N-O 3.22Å; V298-I311 PolarHBondContact O-N 2.81Å |
| 299 | C | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146 | -179.6 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | C235 N237 L247 V254 V308 I309 | C235-C299 PolarHBondContact SG-O 2.78Å; C235-C299 VanDerWaalsContact SG-O 3.37Å; N237-C299 PolarHBondContact ND2-O 2.79Å; L247-C299 VanDerWaalsContact C-SG 3.54Å; V254-C299 HydrophobicContact CG1-CB 3.99Å; V254-C299 HydrophobicContact CG2-CB 4.39Å; C299-V308 HydrophobicContact CB-CG1 4.33Å; C299-I309 WeakPolarHBondContact CA-O 3.36Å; C299-I309 WeakPolarHBondContact CB-O 3.33Å |
| 300 | A | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 163.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F18 H22 V308 I309 | F18-A300 HydrophobicContact CD1-CB 4.1Å; F18-A300 HydrophobicContact CD2-CB 3.81Å; F18-A300 HydrophobicContact CE1-CB 3.88Å; F18-A300 HydrophobicContact CE2-CB 3.58Å; F18-A300 HydrophobicContact CG-CB 4.07Å; F18-A300 HydrophobicContact CZ-CB 3.61Å; H22-A300 HydrophobicContact CB-CB 3.61Å; A300-V308 CarbonylContact O-C 3.5Å; A300-V308 WeakPolarHBondContact O-CA 3.18Å; A300-V308 WeakPolarHBondContact O-CG1 3.47Å; A300-I309 PolarHBondContact N-O 2.84Å; A300-I309 VanDerWaalsContact N-O 3.08Å; A300-I309 PolarHBondContact O-N 2.85Å |
| 301 | F | 98.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 7% | 0.066 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 140.4 | 171.4 | -66.8 | -90.8 | 0 | 0 | 0 | 110 | N239 L244 C246 I256 S307 V308 F322 | N239-F301 HydrophobicContact CB-CB 4.11Å; N239-F301 HydrophobicContact CB-CD1 3.91Å; N239-F301 HydrophobicContact CB-CD2 3.41Å; N239-F301 VanDerWaalsContact CB-CD2 3.41Å; N239-F301 HydrophobicContact CB-CE1 4.17Å; N239-F301 HydrophobicContact CB-CE2 3.7Å; N239-F301 HydrophobicContact CB-CG 3.51Å; N239-F301 HydrophobicContact CB-CZ 4.08Å; N239-F301 VanDerWaalsContact N-CD2 3.3Å; N239-F301 VanDerWaalsContact N-CE2 3.32Å; L244-F301 HydrophobicContact CB-CE1 3.84Å; L244-F301 HydrophobicContact CB-CE2 4.27Å; L244-F301 HydrophobicContact CB-CZ 3.46Å; L244-F301 VanDerWaalsContact CB-CZ 3.46Å; L244-F301 HydrophobicContact CD1-CE1 3.84Å; L244-F301 HydrophobicContact CD1-CZ 4.35Å; C246-F301 HydrophobicContact CB-CE2 3.85Å; C246-F301 HydrophobicContact CB-CZ 3.92Å; I256-F301 HydrophobicContact CG2-CE1 4.19Å; I256-F301 HydrophobicContact CG2-CZ 4.24Å; F301-S307 WeakPolarHBondContact CA-O 3.17Å; F301-V308 HydrophobicContact CD1-CG2 3.9Å; F301-V308 HydrophobicContact CE1-CG2 3.94Å; F301-F322 HydrophobicContact CD1-CE1 4.27Å; F301-F322 HydrophobicContact CD1-CZ 4.42Å; F301-F322 HydrophobicContact CE1-CE1 4.12Å; F301-F322 HydrophobicContact CE1-CZ 4.04Å |
| 302 | G | 97.4 | Very high | 95.6 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 18% | 0.175 | 19% | 0.186 | C | C | . | . | trans | -81.9 | -165.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S307 | G302-S307 WeakPolarHBondContact CA-OG 3.34Å; G302-S307 PolarHBondContact N-O 3.31Å; G302-S307 VanDerWaalsContact N-O 3.11Å; G302-S307 PolarHBondContact N-OG 3.06Å | ||
| 303 | T | 95.6 | Very high | 95.9 | Very high | 105 Ų | 105 | 27.2 Ų | 27.2 | 64% | 0.644 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -70.4 | -38.5 | -178 | -64 | 0 | 0 | 0 | 0 | 111.2 | D39 | D39-T303 PolarHBondContact O-OG1 2.91Å; D39-T303 WeakPolarHBondContact OD2-CB 3.33Å; D39-T303 PolarHBondContact OD2-N 3.01Å |
| 304 | E | 95.6 | Very high | 96.4 | Very high | 73 Ų | 73 | 26.8 Ų | 26.8 | 34% | 0.341 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -78.7 | 139.5 | 169.5 | -50.3 | 93.6 | -168.6 | 0 | 0 | 110.9 | N306 S307 K319 | E304-N306 WeakPolarHBondContact CB-OD1 3.38Å; E304-N306 PolarHBondContact O-N 2.96Å; E304-S307 WeakPolarHBondContact O-CB 3.45Å; E304-S307 PolarHBondContact O-N 3.46Å; E304-S307 PolarHBondContact O-OG 3.26Å; E304-K319 IonicContact OE1-NZ 2.9Å; E304-K319 PolarHBondContact OE1-NZ 2.85Å; E304-K319 WeakPolarHBondContact OE2-CE 3.37Å; E304-K319 IonicContact OE2-NZ 3.83Å; E304-K319 PolarHBondContact OE2-NZ 3.28Å |
| 305 | P | 94.9 | Very high | 96.8 | Very high | 106 Ų | 106 | 22.6 Ų | 22.6 | 69% | 0.688 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.6 | -176 | 26.6 | -36 | 0 | 0 | 0 | 113.6 | F322 | P305-F322 WeakPolarHBondContact O-CZ 3.44Š|
| 306 | N | 96.9 | Very high | 97.1 | Very high | 69 Ų | 69 | 22.3 Ų | 22.3 | 37% | 0.369 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 22.7 | 177.9 | 72.9 | -48.7 | 0 | 0 | 0 | 112.8 | E304 L321 F322 | E304-N306 WeakPolarHBondContact CB-OD1 3.38Å; E304-N306 PolarHBondContact O-N 2.96Å; N306-L321 CarbonylContact O-C 3.58Å; N306-L321 WeakPolarHBondContact O-CA 3.28Å; N306-F322 VanDerWaalsContact C-CD1 3.42Å; N306-F322 WeakPolarHBondContact CB-O 3.48Å; N306-F322 WeakPolarHBondContact O-CD1 3.4Å; N306-F322 WeakPolarHBondContact O-CE1 3.44Å; N306-F322 PolarHBondContact O-N 2.85Å |
| 307 | S | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.5 | 178.5 | 75.2 | 0 | 0 | 0 | 0 | 112.3 | F301 G302 E304 F320 | F301-S307 WeakPolarHBondContact CA-O 3.17Å; G302-S307 WeakPolarHBondContact CA-OG 3.34Å; G302-S307 PolarHBondContact N-O 3.31Å; G302-S307 VanDerWaalsContact N-O 3.11Å; G302-S307 PolarHBondContact N-OG 3.06Å; E304-S307 WeakPolarHBondContact O-CB 3.45Å; E304-S307 PolarHBondContact O-N 3.46Å; E304-S307 PolarHBondContact O-OG 3.26Å; S307-F320 CarbonylContact C-O 3.56Å; S307-F320 VanDerWaalsContact CA-O 3.28Å; S307-F320 WeakPolarHBondContact CA-O 3.45Å |
| 308 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.9 | 170.6 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | C246 V254 I256 F289 C299 A300 F301 F320 F322 | C246-V308 HydrophobicContact CB-CG1 4.2Å; C246-V308 HydrophobicContact CB-CG2 4.43Å; V254-V308 HydrophobicContact CG1-CG1 4.08Å; I256-V308 HydrophobicContact CD1-CG2 3.65Å; I256-V308 HydrophobicContact CG1-CG2 4.15Å; F289-V308 HydrophobicContact CE1-CB 3.94Å; F289-V308 HydrophobicContact CE1-CG1 3.98Å; F289-V308 HydrophobicContact CZ-CB 4.14Å; F289-V308 HydrophobicContact CZ-CG1 3.85Å; C299-V308 HydrophobicContact CB-CG1 4.33Å; A300-V308 CarbonylContact O-C 3.5Å; A300-V308 WeakPolarHBondContact O-CA 3.18Å; A300-V308 WeakPolarHBondContact O-CG1 3.47Å; F301-V308 HydrophobicContact CD1-CG2 3.9Å; F301-V308 HydrophobicContact CE1-CG2 3.94Å; V308-F320 PolarHBondContact N-O 3.13Å; V308-F320 PolarHBondContact O-N 2.88Å; V308-F322 HydrophobicContact CG2-CD1 3.97Å; V308-F322 HydrophobicContact CG2-CE1 3.74Å |
| 309 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138.8 | 176 | -58.1 | 171.9 | 0 | 0 | 0 | 108.7 | F18 A38 D39 C299 A300 I311 Y317 Y318 | F18-I309 HydrophobicContact CE1-CG2 4.45Å; F18-I309 HydrophobicContact CZ-CB 4.41Å; F18-I309 HydrophobicContact CZ-CG2 4.13Å; A38-I309 HydrophobicContact CB-CD1 3.86Å; D39-I309 HydrophobicContact CB-CD1 3.72Å; C299-I309 WeakPolarHBondContact CA-O 3.36Å; C299-I309 WeakPolarHBondContact CB-O 3.33Å; A300-I309 PolarHBondContact N-O 2.84Å; A300-I309 VanDerWaalsContact N-O 3.08Å; A300-I309 PolarHBondContact O-N 2.85Å; I309-I311 HydrophobicContact CG2-CG1 4.11Å; I309-Y317 HydrophobicContact CB-CE2 4.49Å; I309-Y317 HydrophobicContact CG2-CD2 3.93Å; I309-Y317 HydrophobicContact CG2-CE2 3.25Å; I309-Y318 CarbonylContact C-O 3.51Å; I309-Y318 VanDerWaalsContact CA-O 3.27Å; I309-Y318 WeakPolarHBondContact CA-O 3.14Å |
| 310 | A | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V254 F289 V291 C297 V298 Y318 | V254-A310 HydrophobicContact CG2-CB 4.44Å; F289-A310 HydrophobicContact CE2-CB 4.36Å; V291-A310 HydrophobicContact CG1-CB 3.85Å; C297-A310 HydrophobicContact CB-CB 4.42Å; V298-A310 WeakPolarHBondContact O-CA 3.44Å; A310-Y318 PolarHBondContact N-O 2.8Å; A310-Y318 PolarHBondContact O-N 2.98Å |
| 311 | I | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.9 | 177.6 | -56.8 | 165.9 | 0 | 0 | 0 | 107.7 | A16 F18 F25 C297 V298 I309 Y317 F336 | A16-I311 HydrophobicContact CB-CG2 4.28Å; F18-I311 HydrophobicContact CD1-CD1 4.35Å; F18-I311 HydrophobicContact CE1-CD1 3.56Å; F18-I311 HydrophobicContact CE2-CD1 3.97Å; F18-I311 HydrophobicContact CZ-CD1 3.34Å; F18-I311 HydrophobicContact CZ-CG1 3.99Å; F25-I311 HydrophobicContact CB-CD1 3.62Å; F25-I311 HydrophobicContact CD1-CD1 3.4Å; F25-I311 HydrophobicContact CD1-CG1 4.46Å; F25-I311 HydrophobicContact CD2-CD1 3.64Å; F25-I311 HydrophobicContact CD2-CG2 4.41Å; F25-I311 HydrophobicContact CE1-CD1 3.83Å; F25-I311 HydrophobicContact CE1-CG1 4.47Å; F25-I311 HydrophobicContact CE2-CD1 4.05Å; F25-I311 HydrophobicContact CE2-CG2 4.24Å; F25-I311 HydrophobicContact CG-CD1 3.28Å; F25-I311 HydrophobicContact CZ-CD1 4.13Å; C297-I311 CarbonylContact C-O 3.52Å; C297-I311 WeakPolarHBondContact CA-O 3.23Å; C297-I311 VanDerWaalsContact CB-O 3.27Å; C297-I311 WeakPolarHBondContact CB-O 3.22Å; V298-I311 HydrophobicContact CG2-CB 3.83Å; V298-I311 HydrophobicContact CG2-CD1 4.33Å; V298-I311 PolarHBondContact N-O 3.22Å; V298-I311 PolarHBondContact O-N 2.81Å; I309-I311 HydrophobicContact CG2-CG1 4.11Å; I311-Y317 HydrophobicContact CG1-CD2 4.21Å; I311-F336 HydrophobicContact CG2-CD1 4.35Å; I311-F336 HydrophobicContact CG2-CE1 3.6Å; I311-F336 HydrophobicContact CG2-CZ 3.84Å |
| 312 | C | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 154.4 | -170 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | P296 C297 D314 G315 S316 | P296-C312 CarbonylContact O-C 3.52Å; P296-C312 WeakPolarHBondContact O-CA 3.17Å; C297-C312 HydrophobicContact CB-CB 4.31Å; C297-C312 VanDerWaalsContact CB-SG 3.55Å; C312-D314 WeakPolarHBondContact CB-OD1 3.41Å; C312-D314 PolarHBondContact O-N 3.07Å; C312-G315 PolarHBondContact O-N 2.89Å; C312-S316 WeakPolarHBondContact CB-O 3.41Å; C312-S316 PolarHBondContact N-O 2.92Å |
| 313 | A | 96.2 | Very high | 97.1 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -22.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1 L3 N7 N11 P296 G315 | M1-A313 VanDerWaalsContact CE-CA 3.42Å; M1-A313 HydrophobicContact CE-CB 3.79Å; L3-A313 HydrophobicContact CD1-CB 3.95Å; L3-A313 HydrophobicContact CD2-CB 3.8Å; N7-A313 PolarHBondContact ND2-O 2.92Å; N11-A313 PolarHBondContact ND2-O 2.68Å; P296-A313 HydrophobicContact CB-CB 4.47Å; P296-A313 PolarHBondContact O-N 3.29Å; A313-G315 PolarHBondContact O-N 3.31Å |
| 314 | D | 96.2 | Very high | 96.8 | Very high | 31 Ų | 31 | 25.7 Ų | 25.7 | 17% | 0.166 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -8.9 | 176.4 | 63.1 | -7.3 | 0 | 0 | 0 | 113.6 | H9 N11 S293 C312 S316 | H9-D314 PolarHBondContact CD2-N 3.38Å; N11-D314 PolarHBondContact ND2-O 3.46Å; S293-D314 WeakPolarHBondContact CB-OD2 3.3Å; S293-D314 PolarHBondContact OG-OD2 2.95Å; C312-D314 WeakPolarHBondContact CB-OD1 3.41Å; C312-D314 PolarHBondContact O-N 3.07Å; D314-S316 WeakPolarHBondContact OD1-CB 3.36Å; D314-S316 PolarHBondContact OD1-N 2.78Å; D314-S316 PolarHBondContact OD1-OG 2.92Å; D314-S316 VanDerWaalsContact OD1-OG 3.05Å; D314-S316 PolarHBondContact OD2-OG 3.28Å |
| 315 | G | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 96.7 | 2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | C312 A313 Q335 F336 | C312-G315 PolarHBondContact O-N 2.89Å; A313-G315 PolarHBondContact O-N 3.31Å; G315-Q335 VanDerWaalsContact C-OE1 3.23Å; G315-Q335 CarbonylContact O-C 3.56Å; G315-Q335 WeakPolarHBondContact O-CA 3.31Å; G315-Q335 PolarHBondContact O-OE1 3.43Å; G315-F336 WeakPolarHBondContact O-CD1 3.09Å; G315-F336 WeakPolarHBondContact O-CE1 3.14Å; G315-F336 PolarHBondContact O-N 3.49Å |
| 316 | S | 97.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 137.3 | 175.8 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | C312 D314 Q335 | C312-S316 WeakPolarHBondContact CB-O 3.41Å; C312-S316 PolarHBondContact N-O 2.92Å; D314-S316 WeakPolarHBondContact OD1-CB 3.36Å; D314-S316 PolarHBondContact OD1-N 2.78Å; D314-S316 PolarHBondContact OD1-OG 2.92Å; D314-S316 VanDerWaalsContact OD1-OG 3.05Å; D314-S316 PolarHBondContact OD2-OG 3.28Å; S316-Q335 PolarHBondContact OG-NE2 3.37Å |
| 317 | Y | 98 | Very high | 96 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 135.9 | 166.5 | 171.5 | -81.4 | 0 | 0 | 0 | 108.9 | F25 A38 L41 I309 I311 K319 V332 Y333 A334 | F25-Y317 HydrophobicContact CE1-CD2 4.35Å; A38-Y317 WeakPolarHBondContact O-CE2 3.49Å; A38-Y317 PolarHBondContact O-OH 2.93Å; L41-Y317 HydrophobicContact CB-CE1 4.27Å; L41-Y317 HydrophobicContact CB-CE2 4.34Å; L41-Y317 HydrophobicContact CD1-CD2 3.89Å; L41-Y317 HydrophobicContact CD1-CE2 4.09Å; L41-Y317 HydrophobicContact CD1-CG 4.35Å; L41-Y317 HydrophobicContact CD2-CD1 3.82Å; L41-Y317 HydrophobicContact CD2-CD2 4.11Å; L41-Y317 HydrophobicContact CD2-CE1 4.34Å; L41-Y317 HydrophobicContact CD2-CG 3.71Å; L41-Y317 HydrophobicContact CG-CD2 4.45Å; I309-Y317 HydrophobicContact CB-CE2 4.49Å; I309-Y317 HydrophobicContact CG2-CD2 3.93Å; I309-Y317 HydrophobicContact CG2-CE2 3.25Å; I311-Y317 HydrophobicContact CG1-CD2 4.21Å; Y317-K319 HydrophobicContact CE1-CB 4.09Å; Y317-V332 HydrophobicContact CD1-CG1 4.35Å; Y317-V332 HydrophobicContact CE1-CB 4.24Å; Y317-V332 HydrophobicContact CE1-CG1 4.04Å; Y317-Y333 WeakPolarHBondContact O-CA 3.5Å; Y317-A334 PolarHBondContact N-O 3.25Å; Y317-A334 PolarHBondContact O-N 3.01Å |
| 318 | Y | 97.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.035 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.5 | 173.1 | -57.4 | -87 | 0 | 0 | 0 | 110.8 | V291 P292 I309 A310 F320 V332 Y333 | V291-Y318 HydrophobicContact CB-CE2 4.46Å; V291-Y318 HydrophobicContact CG1-CD2 4.26Å; P292-Y318 HydrophobicContact CG-CE1 3.93Å; I309-Y318 CarbonylContact C-O 3.51Å; I309-Y318 VanDerWaalsContact CA-O 3.27Å; I309-Y318 WeakPolarHBondContact CA-O 3.14Å; A310-Y318 PolarHBondContact N-O 2.8Å; A310-Y318 PolarHBondContact O-N 2.98Å; Y318-F320 HydrophobicContact CD1-CE2 4.18Å; Y318-F320 HydrophobicContact CG-CE2 4.08Å; Y318-V332 WeakPolarHBondContact CA-O 3.48Å; Y318-Y333 AromaticContact CD1-CD2 3.77Å; Y318-Y333 HydrophobicContact CD1-CD2 3.77Å; Y318-Y333 AromaticContact CE1-CD2 3.29Å; Y318-Y333 HydrophobicContact CE1-CD2 3.29Å; Y318-Y333 AromaticContact CE1-CE2 3.8Å; Y318-Y333 HydrophobicContact CE1-CE2 3.8Å; Y318-Y333 HydrophobicContact CE1-CG 4.26Å; Y318-Y333 AromaticContact CZ-CD2 3.81Å; Y318-Y333 AromaticContact CZ-CE2 3.87Å |
| 319 | K | 98.1 | Very high | 95.8 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.7 | 162.8 | -173.8 | 178.1 | 172.5 | 178.7 | 0 | 108.3 | D39 E304 Y317 D331 V332 | D39-K319 VanDerWaalsContact CG-NZ 3.28Å; D39-K319 IonicContact OD1-NZ 3.35Å; D39-K319 PolarHBondContact OD1-NZ 3.16Å; D39-K319 VanDerWaalsContact OD2-CE 3.29Å; D39-K319 WeakPolarHBondContact OD2-CE 3.14Å; D39-K319 IonicContact OD2-NZ 2.7Å; D39-K319 PolarHBondContact OD2-NZ 2.97Å; E304-K319 IonicContact OE1-NZ 2.9Å; E304-K319 PolarHBondContact OE1-NZ 2.85Å; E304-K319 WeakPolarHBondContact OE2-CE 3.37Å; E304-K319 IonicContact OE2-NZ 3.83Å; E304-K319 PolarHBondContact OE2-NZ 3.28Å; Y317-K319 HydrophobicContact CE1-CB 4.09Å; K319-D331 WeakPolarHBondContact CD-OD2 3.5Å; K319-D331 HydrophobicContact CG-CB 4.46Å; K319-D331 IonicContact NZ-OD2 2.86Å; K319-D331 PolarHBondContact O-N 2.83Å; K319-V332 HydrophobicContact CB-CB 3.77Å; K319-V332 HydrophobicContact CB-CG2 4.1Å; K319-V332 HydrophobicContact CD-CG2 4.1Å; K319-V332 PolarHBondContact N-O 2.76Å; K319-V332 PolarHBondContact O-N 2.8Å |
| 320 | F | 98.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.1 | 176.2 | -80 | -96.8 | 0 | 0 | 0 | 110 | F289 S307 V308 Y318 C328 S329 R330 | F289-F320 HydrophobicContact CB-CD1 4.03Å; F289-F320 HydrophobicContact CB-CE1 4.14Å; F289-F320 HydrophobicContact CB-CG 4.44Å; F289-F320 HydrophobicContact CD1-CB 4.01Å; F289-F320 HydrophobicContact CD1-CD1 4.49Å; F289-F320 HydrophobicContact CD1-CG 4.15Å; F289-F320 HydrophobicContact CD2-CB 4.38Å; F289-F320 HydrophobicContact CD2-CD1 4.04Å; F289-F320 AromaticContact CD2-CD2 3.49Å; F289-F320 HydrophobicContact CD2-CD2 3.49Å; F289-F320 VanDerWaalsContact CD2-CD2 3.49Å; F289-F320 HydrophobicContact CD2-CE1 4.14Å; F289-F320 AromaticContact CD2-CE2 3.6Å; F289-F320 HydrophobicContact CD2-CE2 3.6Å; F289-F320 AromaticContact CD2-CG 3.71Å; F289-F320 HydrophobicContact CD2-CG 3.71Å; F289-F320 AromaticContact CD2-CZ 3.93Å; F289-F320 HydrophobicContact CD2-CZ 3.93Å; F289-F320 HydrophobicContact CE1-CB 3.91Å; F289-F320 HydrophobicContact CE1-CG 4.29Å; F289-F320 HydrophobicContact CE2-CB 4.29Å; F289-F320 AromaticContact CE2-CD2 3.37Å; F289-F320 HydrophobicContact CE2-CD2 3.37Å; F289-F320 AromaticContact CE2-CE2 3.74Å; F289-F320 HydrophobicContact CE2-CE2 3.74Å; F289-F320 AromaticContact CE2-CG 3.87Å; F289-F320 HydrophobicContact CE2-CG 3.87Å; F289-F320 HydrophobicContact CG-CB 4.23Å; F289-F320 AromaticContact CG-CD1 3.95Å; F289-F320 HydrophobicContact CG-CD1 3.95Å; F289-F320 HydrophobicContact CG-CD2 4.13Å; F289-F320 HydrophobicContact CG-CE1 4.3Å; F289-F320 HydrophobicContact CG-CE2 4.45Å; F289-F320 AromaticContact CG-CG 3.85Å; F289-F320 HydrophobicContact CG-CG 3.85Å; F289-F320 HydrophobicContact CZ-CB 4.04Å; F289-F320 AromaticContact CZ-CD2 3.91Å; F289-F320 HydrophobicContact CZ-CD2 3.91Å; F289-F320 HydrophobicContact CZ-CG 4.14Å; S307-F320 CarbonylContact C-O 3.56Å; S307-F320 VanDerWaalsContact CA-O 3.28Å; S307-F320 WeakPolarHBondContact CA-O 3.45Å; V308-F320 PolarHBondContact N-O 3.13Å; V308-F320 PolarHBondContact O-N 2.88Å; Y318-F320 HydrophobicContact CD1-CE2 4.18Å; Y318-F320 HydrophobicContact CG-CE2 4.08Å; F320-C328 HydrophobicContact CD1-CB 4.41Å; F320-S329 CarbonylContact C-O 3.55Å; F320-S329 VanDerWaalsContact CA-O 3.3Å; F320-S329 WeakPolarHBondContact CA-O 3.24Å; F320-R330 HydrophobicContact CD1-CB 4.03Å; F320-R330 HydrophobicContact CE1-CB 3.65Å; F320-R330 HydrophobicContact CE1-CG 4.27Å; F320-R330 HydrophobicContact CE2-CG 4.3Å; F320-R330 HydrophobicContact CZ-CB 3.94Å; F320-R330 HydrophobicContact CZ-CG 4.09Å |
| 321 | L | 98.2 | Very high | 95.7 | Very high | 44 Ų | 44 | 44.2 Ų | 44.2 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 139.3 | 167.2 | -62.6 | 171.8 | 0 | 0 | 0 | 109 | N306 C328 S329 D331 | N306-L321 CarbonylContact O-C 3.58Å; N306-L321 WeakPolarHBondContact O-CA 3.28Å; L321-C328 CarbonylContact O-C 3.59Å; L321-C328 VanDerWaalsContact O-CA 3.24Å; L321-C328 WeakPolarHBondContact O-CA 3.44Å; L321-S329 PolarHBondContact N-O 2.87Å; L321-S329 PolarHBondContact O-N 3.44Å; L321-D331 HydrophobicContact CD1-CB 4.01Å; L321-D331 HydrophobicContact CG-CB 3.86Å |
| 322 | F | 97.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 46.7 Ų | 46.7 | 6% | 0.057 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 158.2 | 172.8 | 65.6 | -89.3 | 0 | 0 | 0 | 110.8 | L244 I256 F286 F301 P305 N306 V308 E327 | L244-F322 HydrophobicContact CD1-CE2 4.01Å; L244-F322 HydrophobicContact CD1-CZ 3.72Å; I256-F322 HydrophobicContact CD1-CB 3.92Å; I256-F322 HydrophobicContact CD1-CD1 3.48Å; I256-F322 VanDerWaalsContact CD1-CD1 3.48Å; I256-F322 HydrophobicContact CD1-CD2 4.3Å; I256-F322 HydrophobicContact CD1-CE1 4.01Å; I256-F322 HydrophobicContact CD1-CG 3.64Å; I256-F322 HydrophobicContact CG2-CE2 4.48Å; I256-F322 HydrophobicContact CG2-CZ 4.42Å; F286-F322 AromaticContact CE2-CD2 3.92Å; F286-F322 HydrophobicContact CE2-CD2 3.92Å; F286-F322 HydrophobicContact CE2-CE2 4.15Å; F286-F322 HydrophobicContact CZ-CD2 4.23Å; F286-F322 HydrophobicContact CZ-CE2 4.01Å; F301-F322 HydrophobicContact CD1-CE1 4.27Å; F301-F322 HydrophobicContact CD1-CZ 4.42Å; F301-F322 HydrophobicContact CE1-CE1 4.12Å; F301-F322 HydrophobicContact CE1-CZ 4.04Å; P305-F322 WeakPolarHBondContact O-CZ 3.44Å; N306-F322 VanDerWaalsContact C-CD1 3.42Å; N306-F322 WeakPolarHBondContact CB-O 3.48Å; N306-F322 WeakPolarHBondContact O-CD1 3.4Å; N306-F322 WeakPolarHBondContact O-CE1 3.44Å; N306-F322 PolarHBondContact O-N 2.85Å; V308-F322 HydrophobicContact CG2-CD1 3.97Å; V308-F322 HydrophobicContact CG2-CE1 3.74Å; F322-E327 VanDerWaalsContact CA-O 3.29Å; F322-E327 WeakPolarHBondContact CA-O 3.47Å |
| 323 | N | 94.5 | Very high | 95.7 | Very high | 49 Ų | 49 | 52 Ų | 52 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | trans | -123.6 | 168.2 | 175.3 | 74 | 20.6 | 0 | 0 | 0 | 112 | K325 G326 E327 | N323-K325 PolarHBondContact O-N 3.43Å; N323-K325 WeakPolarHBondContact OD1-CA 3.33Å; N323-K325 WeakPolarHBondContact OD1-CB 3.14Å; N323-K325 PolarHBondContact OD1-N 3.02Å; N323-G326 PolarHBondContact O-N 3.16Å; N323-G326 PolarHBondContact OD1-N 3.06Å; N323-G326 VanDerWaalsContact OD1-N 3.07Å; N323-E327 PolarHBondContact N-O 3.05Å; N323-E327 VanDerWaalsContact N-O 3.07Å; N323-E327 PolarHBondContact ND2-OE2 3.13Å; N323-E327 PolarHBondContact OD1-N 3.15Å; N323-E327 VanDerWaalsContact OD1-N 3.09Å | ||
| 324 | P | 88.4 | Confident | 95.7 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 74% | 0.74 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21 | 178.4 | -26.3 | 36.2 | 0 | 0 | 0 | 114.8 | G326 | P324-G326 PolarHBondContact O-N 3.16Š|
| 325 | K | 88.7 | Confident | 95.7 | Very high | 174 Ų | 174 | 53.7 Ų | 53.7 | 76% | 0.757 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.8 | 175.3 | -60.1 | -178.3 | 179.8 | 178.2 | 0 | 112.5 | N323 | N323-K325 PolarHBondContact O-N 3.43Å; N323-K325 WeakPolarHBondContact OD1-CA 3.33Å; N323-K325 WeakPolarHBondContact OD1-CB 3.14Å; N323-K325 PolarHBondContact OD1-N 3.02Å |
| 326 | G | 88.2 | Confident | 95.7 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 93.8 | 3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F286 S287 N323 P324 | F286-G326 VanDerWaalsContact O-CA 3.23Å; F286-G326 WeakPolarHBondContact O-CA 3.29Å; S287-G326 PolarHBondContact OG-O 3.41Å; N323-G326 PolarHBondContact O-N 3.16Å; N323-G326 PolarHBondContact OD1-N 3.06Å; N323-G326 VanDerWaalsContact OD1-N 3.07Å; P324-G326 PolarHBondContact O-N 3.16Å |
| 327 | E | 93.1 | Very high | 95.6 | Very high | 122 Ų | 122 | 54.7 Ų | 54.7 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | trans | -74.9 | 142.3 | 176.6 | -60.6 | 164.3 | 160.5 | 0 | 0 | 110 | F322 N323 | F322-E327 VanDerWaalsContact CA-O 3.29Å; F322-E327 WeakPolarHBondContact CA-O 3.47Å; N323-E327 PolarHBondContact N-O 3.05Å; N323-E327 VanDerWaalsContact N-O 3.07Å; N323-E327 PolarHBondContact ND2-OE2 3.13Å; N323-E327 PolarHBondContact OD1-N 3.15Å; N323-E327 VanDerWaalsContact OD1-N 3.09Å | ||
| 328 | C | 96.3 | Very high | 95.4 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 142.5 | 176 | -70.9 | 0 | 0 | 0 | 0 | 110.4 | S287 F289 F320 L321 | S287-C328 PolarHBondContact OG-SG 3.4Å; F289-C328 HydrophobicContact CB-CB 3.85Å; F289-C328 HydrophobicContact CD1-CB 4.49Å; F320-C328 HydrophobicContact CD1-CB 4.41Å; L321-C328 CarbonylContact O-C 3.59Å; L321-C328 VanDerWaalsContact O-CA 3.24Å; L321-C328 WeakPolarHBondContact O-CA 3.44Å |
| 329 | S | 96.5 | Very high | 94.8 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.9 | 171.5 | 59.3 | 0 | 0 | 0 | 0 | 109.7 | F320 L321 | F320-S329 CarbonylContact C-O 3.55Å; F320-S329 VanDerWaalsContact CA-O 3.3Å; F320-S329 WeakPolarHBondContact CA-O 3.24Å; L321-S329 PolarHBondContact N-O 2.87Å; L321-S329 PolarHBondContact O-N 3.44Å |
| 330 | R | 97.2 | Very high | 93.3 | Very high | 136 Ų | 136 | 68 Ų | 68 | 51% | 0.513 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 123.9 | 177.1 | -172.7 | -179.3 | 67.2 | -179.7 | 0.9 | 108.9 | F320 | F320-R330 HydrophobicContact CD1-CB 4.03Å; F320-R330 HydrophobicContact CE1-CB 3.65Å; F320-R330 HydrophobicContact CE1-CG 4.27Å; F320-R330 HydrophobicContact CE2-CG 4.3Å; F320-R330 HydrophobicContact CZ-CB 3.94Å; F320-R330 HydrophobicContact CZ-CG 4.09Å |
| 331 | D | 97.3 | Very high | 91.4 | Very high | 84 Ų | 84 | 73.8 Ų | 73.8 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -49.8 | 179.3 | -178.7 | 46.4 | 0 | 0 | 0 | 110.9 | K319 L321 | K319-D331 WeakPolarHBondContact CD-OD2 3.5Å; K319-D331 HydrophobicContact CG-CB 4.46Å; K319-D331 IonicContact NZ-OD2 2.86Å; K319-D331 PolarHBondContact O-N 2.83Å; L321-D331 HydrophobicContact CD1-CB 4.01Å; L321-D331 HydrophobicContact CG-CB 3.86Å |
| 332 | V | 97.3 | Very high | 88.8 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 32% | 0.321 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 143.8 | -179.5 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | Y317 Y318 K319 | Y317-V332 HydrophobicContact CD1-CG1 4.35Å; Y317-V332 HydrophobicContact CE1-CB 4.24Å; Y317-V332 HydrophobicContact CE1-CG1 4.04Å; Y318-V332 WeakPolarHBondContact CA-O 3.48Å; K319-V332 HydrophobicContact CB-CB 3.77Å; K319-V332 HydrophobicContact CB-CG2 4.1Å; K319-V332 HydrophobicContact CD-CG2 4.1Å; K319-V332 PolarHBondContact N-O 2.76Å; K319-V332 PolarHBondContact O-N 2.8Å |
| 333 | Y | 97.2 | Very high | 85.9 | Confident | 110 Ų | 110 | 88.4 Ų | 88.4 | 43% | 0.431 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.8 | 165.7 | 164.8 | -106.1 | 0 | 0 | 0 | 109.2 | Y317 Y318 Q335 | Y317-Y333 WeakPolarHBondContact O-CA 3.5Å; Y318-Y333 AromaticContact CD1-CD2 3.77Å; Y318-Y333 HydrophobicContact CD1-CD2 3.77Å; Y318-Y333 AromaticContact CE1-CD2 3.29Å; Y318-Y333 HydrophobicContact CE1-CD2 3.29Å; Y318-Y333 AromaticContact CE1-CE2 3.8Å; Y318-Y333 HydrophobicContact CE1-CE2 3.8Å; Y318-Y333 HydrophobicContact CE1-CG 4.26Å; Y318-Y333 AromaticContact CZ-CD2 3.81Å; Y318-Y333 AromaticContact CZ-CE2 3.87Å; Y333-Q335 PolarHBondContact OH-NE2 2.81Å |
| 334 | A | 97.2 | Very high | 83.1 | Confident | 21 Ų | 21 | 95 Ų | 95 | 17% | 0.174 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 152.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L41 Y317 | L41-A334 HydrophobicContact CD2-CB 3.49Å; L41-A334 VanDerWaalsContact CD2-CB 3.49Å; Y317-A334 PolarHBondContact N-O 3.25Å; Y317-A334 PolarHBondContact O-N 3.01Å |
| 335 | Q | 97.1 | Very high | 82.9 | Confident | 48 Ų | 48 | 94 Ų | 94 | 22% | 0.224 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 93.9 | 163.1 | -73.6 | -61.7 | -30.8 | 0 | 0 | 107.7 | G315 S316 Y333 L337 E338 M339 | G315-Q335 VanDerWaalsContact C-OE1 3.23Å; G315-Q335 CarbonylContact O-C 3.56Å; G315-Q335 WeakPolarHBondContact O-CA 3.31Å; G315-Q335 PolarHBondContact O-OE1 3.43Å; S316-Q335 PolarHBondContact OG-NE2 3.37Å; Y333-Q335 PolarHBondContact OH-NE2 2.81Å; Q335-L337 PolarHBondContact O-N 3.17Å; Q335-E338 HydrophobicContact CB-CB 4.07Å; Q335-E338 HydrophobicContact CB-CG 4.07Å; Q335-E338 PolarHBondContact O-N 3.24Å; Q335-E338 VanDerWaalsContact O-N 3.07Å; Q335-M339 PolarHBondContact O-N 2.88Å |
| 336 | F | 96.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -67.7 | -26.1 | -166.9 | 67.2 | -97.2 | 0 | 0 | 0 | 112.6 | L13 F25 Y36 L41 I311 G315 E338 M339 | L13-F336 HydrophobicContact CD2-CZ 4.21Å; F25-F336 AromaticContact CE2-CD2 4Å; F25-F336 HydrophobicContact CE2-CD2 4Å; F25-F336 HydrophobicContact CE2-CE2 4.14Å; F25-F336 HydrophobicContact CE2-CG 4.34Å; F25-F336 HydrophobicContact CZ-CB 4.44Å; F25-F336 HydrophobicContact CZ-CD2 4.29Å; F25-F336 HydrophobicContact CZ-CG 4.23Å; Y36-F336 HydrophobicContact CE1-CB 4.36Å; Y36-F336 HydrophobicContact CE1-CD2 4.32Å; Y36-F336 WeakPolarHBondContact CE1-O 3.21Å; Y36-F336 AromaticContact CE2-CD2 3.9Å; Y36-F336 HydrophobicContact CE2-CD2 3.9Å; Y36-F336 HydrophobicContact CE2-CE2 4.36Å; Y36-F336 AromaticContact CZ-CD2 3.76Å; Y36-F336 PolarHBondContact OH-O 3.05Å; L41-F336 HydrophobicContact CD1-CB 4.37Å; L41-F336 HydrophobicContact CD2-CB 4.21Å; I311-F336 HydrophobicContact CG2-CD1 4.35Å; I311-F336 HydrophobicContact CG2-CE1 3.6Å; I311-F336 HydrophobicContact CG2-CZ 3.84Å; G315-F336 WeakPolarHBondContact O-CD1 3.09Å; G315-F336 WeakPolarHBondContact O-CE1 3.14Å; G315-F336 PolarHBondContact O-N 3.49Å; F336-E338 VanDerWaalsContact C-N 3.29Å; F336-E338 PolarHBondContact O-N 3.17Å; F336-M339 HydrophobicContact CB-SD 4.31Å |
| 337 | L | 95.4 | Very high | 82.3 | Confident | 25 Ų | 25 | 94.1 Ų | 94.1 | 13% | 0.131 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -72.8 | -21.5 | 176 | -64.9 | 178.6 | 0 | 0 | 0 | 113.6 | N11 L13 M29 R34 Q335 | N11-L337 HydrophobicContact CB-CD1 4.07Å; L13-L337 HydrophobicContact CB-CD1 4.36Å; M29-L337 HydrophobicContact CE-CD1 4.39Å; M29-L337 HydrophobicContact CE-CD2 3.74Å; M29-L337 HydrophobicContact SD-CD2 4.02Å; R34-L337 PolarHBondContact NH1-O 3.32Å; Q335-L337 PolarHBondContact O-N 3.17Å |
| 338 | E | 93.2 | Very high | 81.6 | Confident | 149 Ų | 149 | 92.5 Ų | 92.5 | 70% | 0.696 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -98.7 | -0.6 | -178.8 | -59.9 | -177.9 | 176.7 | 0 | 0 | 112.6 | Q335 F336 T340 | Q335-E338 HydrophobicContact CB-CB 4.07Å; Q335-E338 HydrophobicContact CB-CG 4.07Å; Q335-E338 PolarHBondContact O-N 3.24Å; Q335-E338 VanDerWaalsContact O-N 3.07Å; F336-E338 VanDerWaalsContact C-N 3.29Å; F336-E338 PolarHBondContact O-N 3.17Å; E338-T340 PolarHBondContact O-N 3.46Å |
| 339 | M | 85.3 | Confident | 80.7 | Confident | 51 Ų | 51 | 95.7 Ų | 95.7 | 25% | 0.251 | 48% | 0.475 | S | S | . | . | trans | -61.5 | 123 | 175.1 | -67.7 | -178.8 | 76.3 | 0 | 0 | 108.9 | L41 Q335 F336 | L41-M339 HydrophobicContact CD1-SD 4.35Å; L41-M339 HydrophobicContact CD2-CE 4.19Å; L41-M339 HydrophobicContact CD2-SD 3.45Å; L41-M339 WeakPolarHBondContact CD2-SD 3.42Å; L41-M339 HydrophobicContact CG-CE 4.04Å; L41-M339 HydrophobicContact CG-SD 3.63Å; Q335-M339 PolarHBondContact O-N 2.88Å; F336-M339 HydrophobicContact CB-SD 4.31Å | ||
| 340 | T | 66.3 | Low | 79.7 | Confident | 96 Ų | 96 | 97.5 Ų | 97.5 | 59% | 0.589 | 48% | 0.475 | S | S | * | . | trans | -105.8 | 145.9 | 167.9 | 45.1 | 0 | 0 | 0 | 0 | 107.1 | E338 E342 K343 | E338-T340 PolarHBondContact O-N 3.46Å; T340-E342 PolarHBondContact O-N 3.15Å; T340-K343 PolarHBondContact O-N 3.15Å | ||
| 341 | D | 59 | Low | 78.4 | Confident | 140 Ų | 140 | 94.8 Ų | 94.8 | 75% | 0.749 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -11.1 | -177.4 | -81.4 | -36.3 | 0 | 0 | 0 | 114.3 | ||
| 342 | E | 43.5 | Very low | 77 | Confident | 182 Ų | 182 | 95.6 Ų | 95.6 | 85% | 0.85 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 2.5 | -173.1 | -63.6 | -164.8 | 158.8 | 0 | 0 | 115.9 | T340 | T340-E342 PolarHBondContact O-N 3.15Š|
| 343 | K | 35.3 | Very low | 75.3 | Confident | 182 Ų | 182 | 99.2 Ų | 99.2 | 79% | 0.791 | 49% | 0.487 | S | S | * | . | trans | -129.4 | 80.9 | 175.6 | -70.4 | -172.9 | -179.2 | 177.4 | 0 | 112.7 | T340 | T340-K343 PolarHBondContact O-N 3.15Š| ||
| 344 | I | 37.3 | Very low | 73.3 | Confident | 186 Ų | 186 | 98.2 Ų | 98.2 | 95% | 0.954 | 49% | 0.492 | S | S | * | . | trans | -128.5 | 0 | 153.2 | -61.4 | -178.7 | 0 | 0 | 0 | 108 | K42 | K42-I344 HydrophobicContact CD-CD1 3.83Å; K42-I344 HydrophobicContact CG-CD1 4.01Å |
Retrieved 344 of 344 residues in 2546.1 ms
(Link to these results)