| 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 | R | 90.8 | Very high | 83 | Confident | 74 Ų | 74 | 80.8 Ų | 80.8 | 28% | 0.279 | 41% | 0.409 | S | S | . | . | 0 | 141.5 | 0 | -62.8 | -58.4 | -177.8 | -148.4 | 14.7 | 108.7 | L3 L41 N42 P43 D44 G112 T113 I115 | R1-L3 PolarHBondContact O-N 2.95Å; R1-L41 CarbonylContact C-O 3.56Å; R1-N42 WeakPolarHBondContact CA-OD1 3.48Å; R1-N42 WeakPolarHBondContact CB-OD1 3.34Å; R1-N42 VanDerWaalsContact CD-OD1 3.31Å; R1-N42 WeakPolarHBondContact CD-OD1 3.41Å; R1-N42 PolarHBondContact NH1-O 3.33Å; R1-P43 PolarHBondContact NH1-O 3.33Å; R1-D44 IonicContact CZ-OD1 3.29Å; R1-D44 IonicContact CZ-OD2 3.35Å; R1-D44 VanDerWaalsContact CZ-OD2 3.27Å; R1-D44 IonicContact NH1-OD1 3.43Å; R1-D44 PolarHBondContact NH1-OD1 2.83Å; R1-D44 VanDerWaalsContact NH1-OD1 3.14Å; R1-D44 IonicContact NH1-OD2 2.84Å; R1-D44 PolarHBondContact NH1-OD2 2.85Å; R1-D44 IonicContact NH2-OD1 3.72Å; R1-D44 PolarHBondContact NH2-OD1 3.07Å; R1-D44 IonicContact NH2-OD2 2.89Å; R1-D44 PolarHBondContact NH2-OD2 2.8Å; R1-G112 WeakPolarHBondContact O-CA 3.46Å; R1-T113 PolarHBondContact N-O 3.26Å; R1-T113 PolarHBondContact O-N 2.94Å; R1-I115 HydrophobicContact CG-CD1 3.75Å | |||
| 2 | N | 91.6 | Very high | 83.4 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 61% | 0.61 | 38% | 0.375 | S | S | * | . | trans | 47.7 | 44.4 | -177.5 | -55.3 | -40.7 | 0 | 0 | 0 | 112.5 | L41 N42 G112 | N2-L41 PolarHBondContact N-O 2.85Å; N2-N42 PolarHBondContact N-OD1 3.41Å; N2-G112 WeakPolarHBondContact O-CA 3.47Å | ||
| 3 | L | 91.9 | Very high | 84 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.042 | 36% | 0.363 | C | S | . | . | trans | -61.5 | 159.2 | 177.4 | -59.5 | -178.1 | 0 | 0 | 0 | 110.6 | R1 P14 L41 P43 L65 L81 L103 | R1-L3 PolarHBondContact O-N 2.95Å; L3-P14 HydrophobicContact CD1-CB 3.67Å; L3-P14 HydrophobicContact CD1-CG 4.12Å; L3-L41 HydrophobicContact CB-CB 4.47Å; L3-L41 WeakPolarHBondContact CG-O 3.4Å; L3-L41 PolarHBondContact N-O 3.34Å; L3-P43 HydrophobicContact CD1-CG 3.77Å; L3-L65 HydrophobicContact CD1-CD2 3.72Å; L3-L65 HydrophobicContact CD2-CD2 3.62Å; L3-L65 HydrophobicContact CG-CD2 4.34Å; L3-L81 HydrophobicContact CD1-CD1 4.27Å; L3-L103 HydrophobicContact CD2-CD1 3.4Å; L3-L103 VanDerWaalsContact CD2-CD1 3.4Å | ||
| 4 | L | 87.9 | Confident | 84.6 | Confident | 28 Ų | 28 | 66.4 Ų | 66.4 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | trans | -60.6 | 139 | 170.8 | -80.1 | 162.8 | 0 | 0 | 0 | 109.8 | M6 S12 L81 I106 K109 K110 C111 | L4-M6 HydrophobicContact CB-CG 4.48Å; L4-S12 PolarHBondContact O-OG 2.79Å; L4-L81 HydrophobicContact CB-CD2 4.1Å; L4-L81 WeakPolarHBondContact O-CD2 3.33Å; L4-I106 HydrophobicContact CD1-CD1 3.65Å; L4-K109 HydrophobicContact CD1-CB 4.14Å; L4-K109 HydrophobicContact CD1-CD 4.01Å; L4-K109 HydrophobicContact CD2-CB 4.32Å; L4-K109 HydrophobicContact CD2-CD 4.03Å; L4-K110 WeakPolarHBondContact CD2-O 3.31Å; L4-C111 HydrophobicContact CD1-CB 4.16Å | ||
| 5 | D | 87.1 | Confident | 85.4 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 43% | 0.433 | 32% | 0.32 | S | S | . | . | trans | -92.7 | 111.5 | 170.6 | -158.4 | -3.3 | 0 | 0 | 0 | 107.5 | K11 S12 L41 | D5-K11 WeakPolarHBondContact OD1-CA 3.28Å; D5-S12 PolarHBondContact OD1-N 3.3Å; D5-L41 HydrophobicContact CB-CD1 4.14Å; D5-L41 HydrophobicContact CB-CD2 3.99Å | ||
| 6 | M | 82.7 | Confident | 86.1 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 29% | 0.286 | 30% | 0.302 | S | S | . | . | trans | -103.3 | -13.2 | -179.5 | -63.7 | -69.4 | -77.7 | 0 | 0 | 112 | L4 S12 D79 L81 | L4-M6 HydrophobicContact CB-CG 4.48Å; M6-S12 PolarHBondContact N-OG 3.13Å; M6-D79 HydrophobicContact CB-CB 4.22Å; M6-D79 HydrophobicContact CE-CB 3.95Å; M6-D79 HydrophobicContact CG-CB 4.31Å; M6-L81 HydrophobicContact CB-CD2 4.41Å; M6-L81 HydrophobicContact CG-CD2 3.51Å | ||
| 7 | D | 74.8 | Confident | 86.8 | Confident | 42 Ų | 42 | 56 Ų | 56 | 23% | 0.225 | 29% | 0.285 | C | S | . | . | trans | -81.3 | 147 | 179.5 | -90 | -18.9 | 0 | 0 | 0 | 113.2 | S10 K11 | D7-S10 WeakPolarHBondContact CB-O 3.1Å; D7-S10 WeakPolarHBondContact CB-OG 2.67Å; D7-S10 VanDerWaalsContact CG-OG 3.27Å; D7-S10 PolarHBondContact OD2-OG 3.4Å; D7-K11 VanDerWaalsContact OD2-O 3.1Å | ||
| 8 | T | 70.4 | Confident | 87.4 | Confident | 122 Ų | 122 | 52.9 Ų | 52.9 | 75% | 0.748 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -88.5 | -27 | -176.7 | -36.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 9 | F | 71.1 | Confident | 87.9 | Confident | 205 Ų | 205 | 51.5 Ų | 51.5 | 90% | 0.899 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -132.3 | -0.8 | -173.2 | -58.7 | -72.2 | 0 | 0 | 0 | 113.8 | ||
| 10 | S | 80.9 | Confident | 88.3 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -139.2 | 179.1 | 178.4 | 39.2 | 0 | 0 | 0 | 0 | 108.8 | D7 | D7-S10 WeakPolarHBondContact CB-O 3.1Å; D7-S10 WeakPolarHBondContact CB-OG 2.67Å; D7-S10 VanDerWaalsContact CG-OG 3.27Å; D7-S10 PolarHBondContact OD2-OG 3.4Å |
| 11 | K | 83.9 | Confident | 88.4 | Confident | 101 Ų | 101 | 50.3 Ų | 50.3 | 44% | 0.439 | 26% | 0.255 | S | S | . | . | trans | -90.5 | 156.6 | 161.1 | -58.1 | 168.7 | -178.8 | 169.8 | 0 | 108.5 | D5 D7 N39 L41 | D5-K11 WeakPolarHBondContact OD1-CA 3.28Å; D7-K11 VanDerWaalsContact OD2-O 3.1Å; K11-N39 VanDerWaalsContact CB-OD1 3.24Å; K11-N39 WeakPolarHBondContact CB-OD1 3.37Å; K11-N39 PolarHBondContact N-OD1 3.11Å; K11-N39 WeakPolarHBondContact O-CA 3.34Å; K11-L41 HydrophobicContact CB-CD2 4.19Å; K11-L41 HydrophobicContact CB-CG 4.32Å; K11-L41 HydrophobicContact CD-CG 4.4Å; K11-L41 HydrophobicContact CG-CG 4.41Å | ||
| 12 | S | 88.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -48.8 | 151.2 | 172.3 | -63.1 | 0 | 0 | 0 | 0 | 115.2 | L4 D5 M6 P14 N39 T40 D67 | L4-S12 PolarHBondContact O-OG 2.79Å; D5-S12 PolarHBondContact OD1-N 3.3Å; M6-S12 PolarHBondContact N-OG 3.13Å; S12-P14 WeakPolarHBondContact O-CD 3.3Å; S12-N39 PolarHBondContact O-N 3.09Å; S12-T40 PolarHBondContact O-N 3.45Å; S12-D67 WeakPolarHBondContact CA-OD1 3.21Å; S12-D67 VanDerWaalsContact CA-OD2 3.27Å; S12-D67 WeakPolarHBondContact CA-OD2 2.98Å; S12-D67 WeakPolarHBondContact CB-OD1 3.25Å; S12-D67 WeakPolarHBondContact CB-OD2 3.16Å; S12-D67 PolarHBondContact OG-OD2 2.66Å | ||
| 13 | D | 90.8 | Very high | 86.8 | Confident | 41 Ų | 41 | 47 Ų | 47 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | trans | -105.6 | 73.5 | 175.1 | -65.9 | -23.7 | 0 | 0 | 0 | 110.1 | V36 I37 D38 N39 D67 V68 | D13-V36 HydrophobicContact CB-CG1 3.98Å; D13-I37 WeakPolarHBondContact CA-O 3.24Å; D13-D38 VanDerWaalsContact OD1-CA 3.24Å; D13-D38 WeakPolarHBondContact OD1-CA 3.09Å; D13-N39 PolarHBondContact OD1-N 2.87Å; D13-D67 PolarHBondContact N-OD1 2.89Å; D13-V68 HydrophobicContact CB-CB 4.46Å; D13-V68 PolarHBondContact O-N 3.29Å | ||
| 14 | P | 93.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 139.3 | -170.5 | 25.3 | -39.1 | 0 | 0 | 0 | 114.9 | L3 S12 I37 T40 P43 F45 Y66 L81 | L3-P14 HydrophobicContact CD1-CB 3.67Å; L3-P14 HydrophobicContact CD1-CG 4.12Å; S12-P14 WeakPolarHBondContact O-CD 3.3Å; P14-I37 WeakPolarHBondContact CD-O 3.4Å; P14-I37 PolarHBondContact O-N 2.72Å; P14-I37 VanDerWaalsContact O-N 3.11Å; P14-T40 VanDerWaalsContact CD-O 3.25Å; P14-T40 WeakPolarHBondContact CD-O 3.27Å; P14-T40 HydrophobicContact CG-CG2 4.01Å; P14-T40 WeakPolarHBondContact CG-O 3.29Å; P14-P43 HydrophobicContact CB-CB 4.38Å; P14-P43 HydrophobicContact CB-CG 3.93Å; P14-P43 HydrophobicContact CG-CB 3.67Å; P14-P43 HydrophobicContact CG-CG 3.56Å; P14-F45 HydrophobicContact CB-CZ 4.44Å; P14-Y66 CarbonylContact C-O 3.36Å; P14-Y66 VanDerWaalsContact CA-O 3.27Å; P14-Y66 WeakPolarHBondContact CA-O 3.5Å; P14-L81 HydrophobicContact CB-CD1 4.25Å |
| 15 | I | 96 | Very high | 84.8 | Confident | 17 Ų | 17 | 48.8 Ų | 48.8 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.5 | 161.7 | -169.6 | 174.5 | 0 | 0 | 0 | 110 | R33 V36 L65 Y66 V68 | I15-R33 HydrophobicContact CD1-CB 3.96Å; I15-R33 HydrophobicContact CG1-CB 4.45Å; I15-V36 HydrophobicContact CB-CG2 4.28Å; I15-V36 HydrophobicContact CD1-CG2 4.19Å; I15-V36 HydrophobicContact CG1-CG2 4.49Å; I15-L65 WeakPolarHBondContact O-CA 3.32Å; I15-Y66 PolarHBondContact N-O 2.59Å; I15-Y66 PolarHBondContact O-N 3.12Å; I15-V68 HydrophobicContact CB-CG2 3.86Å; I15-V68 HydrophobicContact CG2-CG2 3.46Å; I15-V68 VanDerWaalsContact CG2-CG2 3.46Å |
| 16 | C | 96.2 | Very high | 84.3 | Confident | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.7 | 173.1 | -178 | 0 | 0 | 0 | 0 | 110.7 | R33 T34 F45 L65 | C16-R33 CarbonylContact O-C 3.59Å; C16-R33 WeakPolarHBondContact O-CA 3.42Å; C16-T34 HydrophobicContact CB-CG2 3.84Å; C16-T34 PolarHBondContact N-OG1 3.14Å; C16-T34 PolarHBondContact O-N 3.13Å; C16-T34 PolarHBondContact O-OG1 3.4Å; C16-F45 HydrophobicContact CB-CD2 4.37Å; C16-F45 HydrophobicContact CB-CE2 3.83Å; C16-F45 HydrophobicContact CB-CZ 3.97Å; C16-L65 HydrophobicContact CB-CG 4.5Å |
| 17 | V | 98 | Very high | 84.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.7 | 176.7 | -173.3 | 0 | 0 | 0 | 0 | 108.7 | Y19 E30 R33 F63 D64 Y66 L75 | V17-Y19 HydrophobicContact CB-CE2 3.9Å; V17-Y19 HydrophobicContact CG1-CD2 4.02Å; V17-Y19 HydrophobicContact CG1-CE2 3.32Å; V17-E30 HydrophobicContact CG1-CG 3.74Å; V17-R33 HydrophobicContact CB-CG 4.48Å; V17-R33 HydrophobicContact CG1-CG 4.12Å; V17-R33 HydrophobicContact CG2-CG 4.02Å; V17-F63 WeakPolarHBondContact O-CA 3.39Å; V17-D64 PolarHBondContact N-O 3.44Å; V17-D64 PolarHBondContact O-N 2.95Å; V17-Y66 HydrophobicContact CG2-CD2 3.99Å; V17-Y66 HydrophobicContact CG2-CE2 4.09Å; V17-L75 HydrophobicContact CG1-CD1 4.38Å; V17-L75 HydrophobicContact CG2-CD1 4.12Å; V17-L75 HydrophobicContact CG2-CD2 3.92Å |
| 18 | L | 98 | Very high | 85.5 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.1 | 174.4 | 176 | 61.2 | 0 | 0 | 0 | 109.8 | F31 G32 F49 L51 L61 F63 | L18-F31 HydrophobicContact CB-CB 4.43Å; L18-F31 HydrophobicContact CD2-CB 4.26Å; L18-F31 HydrophobicContact CD2-CD1 3.82Å; L18-F31 HydrophobicContact CD2-CG 4.21Å; L18-F31 HydrophobicContact CG-CB 4.05Å; L18-F31 HydrophobicContact CG-CD1 4.47Å; L18-F31 WeakPolarHBondContact O-CB 3.35Å; L18-F31 PolarHBondContact O-N 2.81Å; L18-G32 PolarHBondContact N-O 2.57Å; L18-G32 PolarHBondContact O-N 3.23Å; L18-F49 HydrophobicContact CB-CD1 4.23Å; L18-F49 HydrophobicContact CB-CD2 4.06Å; L18-F49 HydrophobicContact CB-CE1 4Å; L18-F49 HydrophobicContact CB-CE2 3.8Å; L18-F49 HydrophobicContact CB-CG 4.26Å; L18-F49 HydrophobicContact CB-CZ 3.76Å; L18-F49 HydrophobicContact CD2-CB 3.74Å; L18-F49 HydrophobicContact CD2-CD1 4.06Å; L18-F49 HydrophobicContact CD2-CD2 3.75Å; L18-F49 HydrophobicContact CD2-CE2 4.37Å; L18-F49 HydrophobicContact CD2-CG 3.57Å; L18-L51 HydrophobicContact CD2-CD1 4.2Å; L18-L61 HydrophobicContact CD1-CB 4.14Å; L18-L61 HydrophobicContact CD1-CD2 4.26Å; L18-F63 HydrophobicContact CD1-CD1 4.01Å; L18-F63 HydrophobicContact CD1-CE1 3.69Å; L18-F63 HydrophobicContact CD1-CE2 4.2Å; L18-F63 HydrophobicContact CD1-CG 4.43Å; L18-F63 HydrophobicContact CD1-CZ 3.79Å |
| 19 | Y | 97.5 | Very high | 86.6 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.8 | 167.5 | -62.9 | -97.5 | 0 | 0 | 0 | 110.3 | V17 W28 R29 E30 R62 D64 L75 | V17-Y19 HydrophobicContact CB-CE2 3.9Å; V17-Y19 HydrophobicContact CG1-CD2 4.02Å; V17-Y19 HydrophobicContact CG1-CE2 3.32Å; Y19-W28 HydrophobicContact CD1-CB 4.36Å; Y19-R29 CarbonylContact C-O 3.6Å; Y19-R29 VanDerWaalsContact CA-O 3.23Å; Y19-R29 WeakPolarHBondContact CA-O 3.31Å; Y19-E30 HydrophobicContact CD1-CB 4.03Å; Y19-E30 HydrophobicContact CE1-CB 3.7Å; Y19-E30 HydrophobicContact CE1-CG 4.19Å; Y19-R62 PolarHBondContact N-O 3.25Å; Y19-R62 PolarHBondContact O-N 2.88Å; Y19-D64 WeakPolarHBondContact CD2-OD2 3.46Å; Y19-D64 HydrophobicContact CE2-CB 4.05Å; Y19-D64 WeakPolarHBondContact CE2-OD2 3.32Å; Y19-L75 WeakPolarHBondContact OH-CD1 3.39Å |
| 20 | T | 95.7 | Very high | 87.8 | Confident | 33 Ų | 33 | 52.9 Ų | 52.9 | 20% | 0.202 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 157.2 | 174.4 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | R29 F31 L51 L61 | T20-R29 PolarHBondContact N-O 3.18Å; T20-R29 PolarHBondContact O-N 3.46Å; T20-F31 HydrophobicContact CG2-CB 3.88Å; T20-F31 HydrophobicContact CG2-CD2 3.87Å; T20-F31 HydrophobicContact CG2-CG 4.02Å; T20-L51 HydrophobicContact CG2-CD2 4.2Å; T20-L61 HydrophobicContact CG2-CD2 4.01Å |
| 21 | Q | 90.8 | Very high | 88.5 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.5 | 175.1 | -172.4 | 177.9 | 58.4 | 0 | 0 | 108.8 | N25 K26 W28 N60 | Q21-N25 WeakPolarHBondContact CG-O 3.46Å; Q21-N25 PolarHBondContact NE2-O 3.35Å; Q21-K26 PolarHBondContact NE2-O 3.12Å; Q21-W28 HydrophobicContact CB-CD2 4.46Å; Q21-W28 HydrophobicContact CB-CE3 4.11Å; Q21-W28 HydrophobicContact CB-CZ3 4.13Å; Q21-N60 HydrophobicContact CB-CB 4.16Å; Q21-N60 PolarHBondContact N-O 3.4Å; Q21-N60 PolarHBondContact OE1-ND2 2.98Å |
| 22 | G | 76.7 | Confident | 89.1 | Confident | 42 Ų | 42 | 50.3 Ų | 50.3 | 43% | 0.433 | 25% | 0.249 | S | C | . | . | trans | -70.8 | 154.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | G24 N25 | G22-G24 PolarHBondContact O-N 3.17Å; G22-N25 WeakPolarHBondContact O-CB 3.34Å; G22-N25 PolarHBondContact O-N 2.82Å | ||
| 23 | M | 70.5 | Confident | 89.6 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 38% | 0.379 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 124.6 | 179.5 | -160.4 | -158.5 | -129.9 | 0 | 0 | 111.1 | N25 E57 L486 A489 K493 | M23-N25 PolarHBondContact O-N 3.21Å; M23-N25 VanDerWaalsContact O-N 3.17Å; M23-E57 HydrophobicContact CE-CG 4.08Å; M23-L486 HydrophobicContact SD-CD1 4.46Å; M23-A489 VanDerWaalsContact CE-C 3.5Å; M23-A489 HydrophobicContact CE-CB 3.56Å; M23-A489 WeakPolarHBondContact CE-O 3.41Å; M23-A489 HydrophobicContact CG-CB 3.5Å; M23-A489 VanDerWaalsContact CG-CB 3.5Å; M23-A489 HydrophobicContact SD-CB 3.64Å; M23-K493 HydrophobicContact CE-CB 4.4Å |
| 24 | G | 66.6 | Low | 89.7 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | -0.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G22 | G22-G24 PolarHBondContact O-N 3.17Š|
| 25 | N | 71.4 | Confident | 89.7 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | trans | -95.6 | 141.3 | 175 | -165.8 | -4.9 | 0 | 0 | 0 | 110.4 | Q21 G22 M23 E27 | Q21-N25 WeakPolarHBondContact CG-O 3.46Å; Q21-N25 PolarHBondContact NE2-O 3.35Å; G22-N25 WeakPolarHBondContact O-CB 3.34Å; G22-N25 PolarHBondContact O-N 2.82Å; M23-N25 PolarHBondContact O-N 3.21Å; M23-N25 VanDerWaalsContact O-N 3.17Å; N25-E27 PolarHBondContact OD1-N 3.11Å | ||
| 26 | K | 77.2 | Confident | 89.6 | Confident | 156 Ų | 156 | 56 Ų | 56 | 68% | 0.678 | 28% | 0.276 | S | S | * | . | trans | -90.5 | -14.3 | 172.7 | -67.7 | -174.5 | 178.8 | -179.5 | 0 | 112.8 | Q21 | Q21-K26 PolarHBondContact NE2-O 3.12Š| ||
| 27 | E | 88.8 | Confident | 89 | Confident | 123 Ų | 123 | 57.7 Ų | 57.7 | 58% | 0.575 | 29% | 0.285 | S | S | * | . | trans | -80.9 | 133.8 | -177.3 | -62.6 | -179.2 | 161.9 | 0 | 0 | 112.7 | N25 | N25-E27 PolarHBondContact OD1-N 3.11Š| ||
| 28 | W | 93.8 | Very high | 88.5 | Confident | 72 Ų | 72 | 63.4 Ų | 63.4 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.4 | 170.5 | -69.7 | 97 | 0 | 0 | 0 | 110.1 | Y19 Q21 N60 R62 Y85 | Y19-W28 HydrophobicContact CD1-CB 4.36Å; Q21-W28 HydrophobicContact CB-CD2 4.46Å; Q21-W28 HydrophobicContact CB-CE3 4.11Å; Q21-W28 HydrophobicContact CB-CZ3 4.13Å; W28-N60 HydrophobicContact CH2-CB 3.86Å; W28-N60 HydrophobicContact CZ3-CB 4.32Å; W28-R62 HydrophobicContact CD2-CB 4.18Å; W28-R62 HydrophobicContact CE3-CB 3.74Å; W28-R62 HydrophobicContact CH2-CB 3.65Å; W28-R62 HydrophobicContact CZ2-CB 4.11Å; W28-R62 HydrophobicContact CZ3-CB 3.46Å; W28-R62 VanDerWaalsContact CZ3-CB 3.46Å; W28-Y85 HydrophobicContact CH2-CD1 4.09Å; W28-Y85 HydrophobicContact CH2-CE1 4.43Å; W28-Y85 AromaticContact CZ2-CD1 3.75Å; W28-Y85 HydrophobicContact CZ2-CD1 3.75Å; W28-Y85 AromaticContact CZ2-CE1 3.76Å; W28-Y85 HydrophobicContact CZ2-CE1 3.76Å |
| 29 | R | 94.6 | Very high | 88 | Confident | 155 Ų | 155 | 67.7 Ų | 67.7 | 59% | 0.585 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.2 | 176 | -65.2 | -176.8 | -179 | 177.4 | 0.2 | 109.6 | Y19 T20 F31 | Y19-R29 CarbonylContact C-O 3.6Å; Y19-R29 VanDerWaalsContact CA-O 3.23Å; Y19-R29 WeakPolarHBondContact CA-O 3.31Å; T20-R29 PolarHBondContact N-O 3.18Å; T20-R29 PolarHBondContact O-N 3.46Å; R29-F31 PolarHBondContact O-N 3.48Å |
| 30 | E | 96.1 | Very high | 87.4 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 41% | 0.407 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 120.8 | 174.4 | -169.3 | -177.4 | 133.1 | 0 | 0 | 108.5 | V17 Y19 R33 | V17-E30 HydrophobicContact CG1-CG 3.74Å; Y19-E30 HydrophobicContact CD1-CB 4.03Å; Y19-E30 HydrophobicContact CE1-CB 3.7Å; Y19-E30 HydrophobicContact CE1-CG 4.19Å; E30-R33 WeakPolarHBondContact OE1-CG 3.19Å; E30-R33 IonicContact OE1-CZ 2.74Å; E30-R33 IonicContact OE1-NE 3.11Å; E30-R33 PolarHBondContact OE1-NE 2.99Å; E30-R33 IonicContact OE1-NH2 3.25Å; E30-R33 PolarHBondContact OE1-NH2 3.05Å; E30-R33 IonicContact OE2-CZ 3.93Å; E30-R33 IonicContact OE2-NE 3.44Å; E30-R33 PolarHBondContact OE2-NE 3.27Å; E30-R33 IonicContact OE2-NH2 2.82Å; E30-R33 PolarHBondContact OE2-NH2 3.16Å |
| 31 | F | 95.8 | Very high | 87.1 | Confident | 90 Ų | 90 | 68 Ų | 68 | 40% | 0.395 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -42.7 | 176.9 | -175.1 | -91.7 | 0 | 0 | 0 | 110.7 | L18 T20 R29 F49 M50 L51 | L18-F31 HydrophobicContact CB-CB 4.43Å; L18-F31 HydrophobicContact CD2-CB 4.26Å; L18-F31 HydrophobicContact CD2-CD1 3.82Å; L18-F31 HydrophobicContact CD2-CG 4.21Å; L18-F31 HydrophobicContact CG-CB 4.05Å; L18-F31 HydrophobicContact CG-CD1 4.47Å; L18-F31 WeakPolarHBondContact O-CB 3.35Å; L18-F31 PolarHBondContact O-N 2.81Å; T20-F31 HydrophobicContact CG2-CB 3.88Å; T20-F31 HydrophobicContact CG2-CD2 3.87Å; T20-F31 HydrophobicContact CG2-CG 4.02Å; R29-F31 PolarHBondContact O-N 3.48Å; F31-F49 HydrophobicContact CD1-CB 4.42Å; F31-F49 HydrophobicContact CD1-CD1 4.07Å; F31-F49 HydrophobicContact CE1-CB 4.23Å; F31-F49 HydrophobicContact CE1-CD1 4.4Å; F31-M50 WeakPolarHBondContact CZ-O 3.46Å; F31-L51 HydrophobicContact CD1-CD2 4.23Å; F31-L51 HydrophobicContact CD2-CD2 3.86Å; F31-L51 HydrophobicContact CE1-CD2 3.84Å; F31-L51 HydrophobicContact CE1-CG 4.42Å; F31-L51 HydrophobicContact CE2-CD2 3.43Å; F31-L51 VanDerWaalsContact CE2-CD2 3.43Å; F31-L51 HydrophobicContact CG-CD2 4.25Å; F31-L51 HydrophobicContact CZ-CD2 3.43Å; F31-L51 VanDerWaalsContact CZ-CD2 3.43Å; F31-L51 HydrophobicContact CZ-CG 4.28Å |
| 32 | G | 96.4 | Very high | 86.8 | Confident | 13 Ų | 13 | 69 Ų | 69 | 13% | 0.134 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | 179.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L18 | L18-G32 PolarHBondContact N-O 2.57Å; L18-G32 PolarHBondContact O-N 3.23Å |
| 33 | R | 97.2 | Very high | 87.3 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 21% | 0.208 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147.8 | -179.6 | -47.8 | -173.2 | -175.1 | 179.1 | -0.1 | 110.9 | I15 C16 V17 E30 R47 A73 | I15-R33 HydrophobicContact CD1-CB 3.96Å; I15-R33 HydrophobicContact CG1-CB 4.45Å; C16-R33 CarbonylContact O-C 3.59Å; C16-R33 WeakPolarHBondContact O-CA 3.42Å; V17-R33 HydrophobicContact CB-CG 4.48Å; V17-R33 HydrophobicContact CG1-CG 4.12Å; V17-R33 HydrophobicContact CG2-CG 4.02Å; E30-R33 WeakPolarHBondContact OE1-CG 3.19Å; E30-R33 IonicContact OE1-CZ 2.74Å; E30-R33 IonicContact OE1-NE 3.11Å; E30-R33 PolarHBondContact OE1-NE 2.99Å; E30-R33 IonicContact OE1-NH2 3.25Å; E30-R33 PolarHBondContact OE1-NH2 3.05Å; E30-R33 IonicContact OE2-CZ 3.93Å; E30-R33 IonicContact OE2-NE 3.44Å; E30-R33 PolarHBondContact OE2-NE 3.27Å; E30-R33 IonicContact OE2-NH2 2.82Å; E30-R33 PolarHBondContact OE2-NH2 3.16Å; R33-R47 WeakPolarHBondContact O-CD 3.43Å; R33-R47 PolarHBondContact O-NE 2.68Å; R33-R47 PolarHBondContact O-NH1 2.82Å; R33-A73 PolarHBondContact NH1-O 2.96Å |
| 34 | T | 94.3 | Very high | 87.8 | Confident | 9 Ų | 9 | 69.1 Ų | 69.1 | 6% | 0.055 | 34% | 0.341 | C | S | . | . | trans | -72.4 | 177 | 168.4 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | C16 F45 F49 | C16-T34 HydrophobicContact CB-CG2 3.84Å; C16-T34 PolarHBondContact N-OG1 3.14Å; C16-T34 PolarHBondContact O-N 3.13Å; C16-T34 PolarHBondContact O-OG1 3.4Å; T34-F45 HydrophobicContact CG2-CB 3.96Å; T34-F45 HydrophobicContact CG2-CD1 4.07Å; T34-F45 HydrophobicContact CG2-CD2 4.29Å; T34-F45 HydrophobicContact CG2-CG 3.85Å; T34-F45 VanDerWaalsContact OG1-CD1 3.31Å; T34-F45 WeakPolarHBondContact OG1-CD1 3.47Å; T34-F45 WeakPolarHBondContact OG1-CE1 3.11Å; T34-F49 HydrophobicContact CG2-CE2 3.95Å; T34-F49 HydrophobicContact CG2-CZ 3.75Å | ||
| 35 | E | 91.9 | Very high | 88.7 | Confident | 60 Ų | 60 | 71 Ų | 71 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | trans | -66.4 | 162 | 157.2 | 75 | -72.9 | 178.7 | 0 | 0 | 111.7 | I37 F45 V46 R47 | E35-I37 HydrophobicContact CG-CG1 4.44Å; E35-F45 WeakPolarHBondContact O-CD1 3.49Å; E35-F45 WeakPolarHBondContact O-CE1 3.49Å; E35-F45 VanDerWaalsContact OE1-CA 3.23Å; E35-F45 WeakPolarHBondContact OE1-CA 3.47Å; E35-V46 PolarHBondContact OE1-N 3.23Å; E35-R47 WeakPolarHBondContact OE2-CB 3.49Å; E35-R47 PolarHBondContact OE2-N 3.01Å | ||
| 36 | V | 93.3 | Very high | 89.1 | Confident | 55 Ų | 55 | 74.6 Ų | 74.6 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | trans | -84.1 | 140 | 170.3 | -172.9 | 0 | 0 | 0 | 0 | 108.1 | D13 I15 V68 | D13-V36 HydrophobicContact CB-CG1 3.98Å; I15-V36 HydrophobicContact CB-CG2 4.28Å; I15-V36 HydrophobicContact CD1-CG2 4.19Å; I15-V36 HydrophobicContact CG1-CG2 4.49Å; V36-V68 HydrophobicContact CG1-CB 3.97Å; V36-V68 HydrophobicContact CG1-CG2 3.98Å; V36-V68 HydrophobicContact CG2-CB 4.33Å; V36-V68 HydrophobicContact CG2-CG1 4.31Å; V36-V68 HydrophobicContact CG2-CG2 3.85Å | ||
| 37 | I | 84.5 | Confident | 89.3 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 21% | 0.205 | 36% | 0.36 | C | S | . | . | trans | -118.5 | 115.8 | 174 | -53.7 | -172.1 | 0 | 0 | 0 | 109 | D13 P14 E35 T40 P43 D44 F45 | D13-I37 WeakPolarHBondContact CA-O 3.24Å; P14-I37 WeakPolarHBondContact CD-O 3.4Å; P14-I37 PolarHBondContact O-N 2.72Å; P14-I37 VanDerWaalsContact O-N 3.11Å; E35-I37 HydrophobicContact CG-CG1 4.44Å; I37-T40 HydrophobicContact CB-CG2 4.06Å; I37-T40 HydrophobicContact CG2-CG2 3.54Å; I37-P43 HydrophobicContact CB-CB 4.22Å; I37-P43 HydrophobicContact CD1-CB 3.74Å; I37-P43 HydrophobicContact CG1-CB 4.32Å; I37-D44 VanDerWaalsContact CD1-C 3.48Å; I37-D44 WeakPolarHBondContact CD1-O 3.4Å; I37-F45 HydrophobicContact CD1-CD1 3.64Å; I37-F45 HydrophobicContact CD1-CE1 3.98Å; I37-F45 HydrophobicContact CD1-CG 4.26Å; I37-F45 HydrophobicContact CG1-CD1 3.89Å; I37-F45 HydrophobicContact CG1-CE1 3.95Å | ||
| 38 | D | 88.1 | Confident | 89.1 | Confident | 120 Ų | 120 | 74.8 Ų | 74.8 | 64% | 0.642 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 140.4 | -172.2 | -52.4 | -14.6 | 0 | 0 | 0 | 112.3 | D13 T40 | D13-D38 VanDerWaalsContact OD1-CA 3.24Å; D13-D38 WeakPolarHBondContact OD1-CA 3.09Å; D38-T40 PolarHBondContact O-N 2.8Å |
| 39 | N | 86 | Confident | 89 | Confident | 90 Ų | 90 | 73.7 Ų | 73.7 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 51.7 | 164.3 | -167.1 | 19.8 | 0 | 0 | 0 | 114.4 | K11 S12 D13 | K11-N39 VanDerWaalsContact CB-OD1 3.24Å; K11-N39 WeakPolarHBondContact CB-OD1 3.37Å; K11-N39 PolarHBondContact N-OD1 3.11Å; K11-N39 WeakPolarHBondContact O-CA 3.34Å; S12-N39 PolarHBondContact O-N 3.09Å; D13-N39 PolarHBondContact OD1-N 2.87Å |
| 40 | T | 86.6 | Confident | 88.8 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | trans | -149.3 | 137.3 | -179.6 | -172.2 | 0 | 0 | 0 | 0 | 114.4 | S12 P14 I37 D38 N42 P43 | S12-T40 PolarHBondContact O-N 3.45Å; P14-T40 VanDerWaalsContact CD-O 3.25Å; P14-T40 WeakPolarHBondContact CD-O 3.27Å; P14-T40 HydrophobicContact CG-CG2 4.01Å; P14-T40 WeakPolarHBondContact CG-O 3.29Å; I37-T40 HydrophobicContact CB-CG2 4.06Å; I37-T40 HydrophobicContact CG2-CG2 3.54Å; D38-T40 PolarHBondContact O-N 2.8Å; T40-N42 VanDerWaalsContact C-N 3.32Å; T40-N42 PolarHBondContact OG1-N 3.21Å; T40-N42 PolarHBondContact OG1-O 3.29Å; T40-P43 HydrophobicContact CG2-CB 4.1Å | ||
| 41 | L | 87.9 | Confident | 88.5 | Confident | 36 Ų | 36 | 70 Ų | 70 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -90.7 | -0.8 | 169.2 | -52.7 | -178.7 | 0 | 0 | 0 | 112.4 | R1 N2 L3 D5 K11 P43 | R1-L41 CarbonylContact C-O 3.56Å; N2-L41 PolarHBondContact N-O 2.85Å; L3-L41 HydrophobicContact CB-CB 4.47Å; L3-L41 WeakPolarHBondContact CG-O 3.4Å; L3-L41 PolarHBondContact N-O 3.34Å; D5-L41 HydrophobicContact CB-CD1 4.14Å; D5-L41 HydrophobicContact CB-CD2 3.99Å; K11-L41 HydrophobicContact CB-CD2 4.19Å; K11-L41 HydrophobicContact CB-CG 4.32Å; K11-L41 HydrophobicContact CD-CG 4.4Å; K11-L41 HydrophobicContact CG-CG 4.41Å; L41-P43 VanDerWaalsContact C-CD 3.48Å |
| 42 | N | 86.3 | Confident | 88.2 | Confident | 65 Ų | 65 | 71.8 Ų | 71.8 | 35% | 0.348 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -133.5 | 63.3 | -177.1 | -65.6 | -63.4 | 0 | 0 | 0 | 110.3 | R1 N2 T40 | R1-N42 WeakPolarHBondContact CA-OD1 3.48Å; R1-N42 WeakPolarHBondContact CB-OD1 3.34Å; R1-N42 VanDerWaalsContact CD-OD1 3.31Å; R1-N42 WeakPolarHBondContact CD-OD1 3.41Å; R1-N42 PolarHBondContact NH1-O 3.33Å; N2-N42 PolarHBondContact N-OD1 3.41Å; T40-N42 VanDerWaalsContact C-N 3.32Å; T40-N42 PolarHBondContact OG1-N 3.21Å; T40-N42 PolarHBondContact OG1-O 3.29Å |
| 43 | P | 86.2 | Confident | 87.8 | Confident | 13 Ų | 13 | 74.1 Ų | 74.1 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | trans | -64.9 | 147 | 177.8 | 27.9 | -35.5 | 0 | 0 | 0 | 111.6 | R1 L3 P14 I37 T40 L41 F45 | R1-P43 PolarHBondContact NH1-O 3.33Å; L3-P43 HydrophobicContact CD1-CG 3.77Å; P14-P43 HydrophobicContact CB-CB 4.38Å; P14-P43 HydrophobicContact CB-CG 3.93Å; P14-P43 HydrophobicContact CG-CB 3.67Å; P14-P43 HydrophobicContact CG-CG 3.56Å; I37-P43 HydrophobicContact CB-CB 4.22Å; I37-P43 HydrophobicContact CD1-CB 3.74Å; I37-P43 HydrophobicContact CG1-CB 4.32Å; T40-P43 HydrophobicContact CG2-CB 4.1Å; L41-P43 VanDerWaalsContact C-CD 3.48Å; P43-F45 HydrophobicContact CB-CE1 3.98Å; P43-F45 HydrophobicContact CB-CE2 3.94Å; P43-F45 HydrophobicContact CB-CZ 3.64Å; P43-F45 HydrophobicContact CG-CE2 3.87Å; P43-F45 HydrophobicContact CG-CZ 3.73Å | ||
| 44 | D | 81.2 | Confident | 87.4 | Confident | 109 Ų | 109 | 75.1 Ų | 75.1 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | trans | -124.8 | 103.1 | 166.4 | -78.5 | -58 | 0 | 0 | 0 | 108 | R1 I37 | R1-D44 IonicContact CZ-OD1 3.29Å; R1-D44 IonicContact CZ-OD2 3.35Å; R1-D44 VanDerWaalsContact CZ-OD2 3.27Å; R1-D44 IonicContact NH1-OD1 3.43Å; R1-D44 PolarHBondContact NH1-OD1 2.83Å; R1-D44 VanDerWaalsContact NH1-OD1 3.14Å; R1-D44 IonicContact NH1-OD2 2.84Å; R1-D44 PolarHBondContact NH1-OD2 2.85Å; R1-D44 IonicContact NH2-OD1 3.72Å; R1-D44 PolarHBondContact NH2-OD1 3.07Å; R1-D44 IonicContact NH2-OD2 2.89Å; R1-D44 PolarHBondContact NH2-OD2 2.8Å; I37-D44 VanDerWaalsContact CD1-C 3.48Å; I37-D44 WeakPolarHBondContact CD1-O 3.4Å | ||
| 45 | F | 84.4 | Confident | 87.1 | Confident | 64 Ų | 64 | 75 Ų | 75 | 28% | 0.281 | 37% | 0.373 | S | S | . | . | trans | -80.5 | 137.2 | -174.4 | -56 | -75.4 | 0 | 0 | 0 | 112.2 | P14 C16 T34 E35 I37 P43 | P14-F45 HydrophobicContact CB-CZ 4.44Å; C16-F45 HydrophobicContact CB-CD2 4.37Å; C16-F45 HydrophobicContact CB-CE2 3.83Å; C16-F45 HydrophobicContact CB-CZ 3.97Å; T34-F45 HydrophobicContact CG2-CB 3.96Å; T34-F45 HydrophobicContact CG2-CD1 4.07Å; T34-F45 HydrophobicContact CG2-CD2 4.29Å; T34-F45 HydrophobicContact CG2-CG 3.85Å; T34-F45 VanDerWaalsContact OG1-CD1 3.31Å; T34-F45 WeakPolarHBondContact OG1-CD1 3.47Å; T34-F45 WeakPolarHBondContact OG1-CE1 3.11Å; E35-F45 WeakPolarHBondContact O-CD1 3.49Å; E35-F45 WeakPolarHBondContact O-CE1 3.49Å; E35-F45 VanDerWaalsContact OE1-CA 3.23Å; E35-F45 WeakPolarHBondContact OE1-CA 3.47Å; I37-F45 HydrophobicContact CD1-CD1 3.64Å; I37-F45 HydrophobicContact CD1-CE1 3.98Å; I37-F45 HydrophobicContact CD1-CG 4.26Å; I37-F45 HydrophobicContact CG1-CD1 3.89Å; I37-F45 HydrophobicContact CG1-CE1 3.95Å; P43-F45 HydrophobicContact CB-CE1 3.98Å; P43-F45 HydrophobicContact CB-CE2 3.94Å; P43-F45 HydrophobicContact CB-CZ 3.64Å; P43-F45 HydrophobicContact CG-CE2 3.87Å; P43-F45 HydrophobicContact CG-CZ 3.73Å | ||
| 46 | V | 79.9 | Confident | 87 | Confident | 125 Ų | 125 | 73.8 Ų | 73.8 | 76% | 0.758 | 37% | 0.367 | S | S | * | . | trans | -85.5 | -40.2 | 175.5 | 180 | 0 | 0 | 0 | 0 | 110.9 | E35 K48 | E35-V46 PolarHBondContact OE1-N 3.23Å; V46-K48 PolarHBondContact O-N 3.39Å | ||
| 47 | R | 81.8 | Confident | 86.7 | Confident | 148 Ų | 148 | 73 Ų | 73 | 56% | 0.558 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 125.5 | -179.4 | -176.8 | 166.7 | 179.6 | -178.9 | 6.1 | 110.8 | R33 E35 | R33-R47 WeakPolarHBondContact O-CD 3.43Å; R33-R47 PolarHBondContact O-NE 2.68Å; R33-R47 PolarHBondContact O-NH1 2.82Å; E35-R47 WeakPolarHBondContact OE2-CB 3.49Å; E35-R47 PolarHBondContact OE2-N 3.01Å |
| 48 | K | 85.8 | Confident | 86.8 | Confident | 134 Ų | 134 | 75.8 Ų | 75.8 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -96.9 | 148 | 176.5 | -56.9 | -174.5 | -179.9 | -169.5 | 0 | 110.9 | V46 E119 | V46-K48 PolarHBondContact O-N 3.39Å; K48-E119 IonicContact NZ-OE2 3.75Å; K48-E119 PolarHBondContact NZ-OE2 3.07Å |
| 49 | F | 90.8 | Very high | 87 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -94.1 | 128.9 | 167.9 | -59.1 | -65.8 | 0 | 0 | 0 | 109.3 | L18 F31 T34 | L18-F49 HydrophobicContact CB-CD1 4.23Å; L18-F49 HydrophobicContact CB-CD2 4.06Å; L18-F49 HydrophobicContact CB-CE1 4Å; L18-F49 HydrophobicContact CB-CE2 3.8Å; L18-F49 HydrophobicContact CB-CG 4.26Å; L18-F49 HydrophobicContact CB-CZ 3.76Å; L18-F49 HydrophobicContact CD2-CB 3.74Å; L18-F49 HydrophobicContact CD2-CD1 4.06Å; L18-F49 HydrophobicContact CD2-CD2 3.75Å; L18-F49 HydrophobicContact CD2-CE2 4.37Å; L18-F49 HydrophobicContact CD2-CG 3.57Å; F31-F49 HydrophobicContact CD1-CB 4.42Å; F31-F49 HydrophobicContact CD1-CD1 4.07Å; F31-F49 HydrophobicContact CE1-CB 4.23Å; F31-F49 HydrophobicContact CE1-CD1 4.4Å; T34-F49 HydrophobicContact CG2-CE2 3.95Å; T34-F49 HydrophobicContact CG2-CZ 3.75Å |
| 50 | M | 89.5 | Confident | 87.4 | Confident | 114 Ų | 114 | 69 Ų | 69 | 56% | 0.562 | 33% | 0.331 | S | S | * | . | trans | -101 | 111.8 | -178.5 | -56.5 | -70.8 | -73 | 0 | 0 | 108.3 | F31 L121 | F31-M50 WeakPolarHBondContact CZ-O 3.46Å; M50-L121 HydrophobicContact CE-CB 4.35Å; M50-L121 HydrophobicContact CE-CD1 3.3Å; M50-L121 HydrophobicContact CE-CD2 3.85Å; M50-L121 HydrophobicContact CE-CG 3.99Å; M50-L121 HydrophobicContact SD-CD1 3.3Å; M50-L121 WeakPolarHBondContact SD-CD1 3.31Å; M50-L121 HydrophobicContact SD-CD2 3.98Å; M50-L121 HydrophobicContact SD-CG 4.22Å | ||
| 51 | L | 90.3 | Very high | 87.9 | Confident | 52 Ų | 52 | 67.9 Ų | 67.9 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | trans | -125 | 140.3 | -177.7 | -65.9 | 166.1 | 0 | 0 | 0 | 109.7 | L18 T20 F31 L61 L88 | L18-L51 HydrophobicContact CD2-CD1 4.2Å; T20-L51 HydrophobicContact CG2-CD2 4.2Å; F31-L51 HydrophobicContact CD1-CD2 4.23Å; F31-L51 HydrophobicContact CD2-CD2 3.86Å; F31-L51 HydrophobicContact CE1-CD2 3.84Å; F31-L51 HydrophobicContact CE1-CG 4.42Å; F31-L51 HydrophobicContact CE2-CD2 3.43Å; F31-L51 VanDerWaalsContact CE2-CD2 3.43Å; F31-L51 HydrophobicContact CG-CD2 4.25Å; F31-L51 HydrophobicContact CZ-CD2 3.43Å; F31-L51 VanDerWaalsContact CZ-CD2 3.43Å; F31-L51 HydrophobicContact CZ-CG 4.28Å; L51-L61 HydrophobicContact CD1-CD2 4.01Å; L51-L88 HydrophobicContact CB-CD2 4.28Å | ||
| 52 | D | 89.5 | Confident | 88.3 | Confident | 126 Ų | 126 | 68 Ų | 68 | 67% | 0.674 | 32% | 0.321 | S | S | * | . | trans | -71.2 | 141.8 | 164.6 | -62.2 | -41.5 | 0 | 0 | 0 | 109 | F54 Q59 | D52-F54 HydrophobicContact CB-CE2 3.66Å; D52-F54 HydrophobicContact CB-CZ 3.88Å; D52-Q59 PolarHBondContact O-NE2 3.24Å | ||
| 53 | Y | 88.4 | Confident | 88.8 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | trans | -114.1 | 131.5 | 179.5 | 167.7 | -103.4 | 0 | 0 | 0 | 110.3 | F55 L88 V92 L267 Y322 | Y53-F55 HydrophobicContact CE1-CB 4.34Å; Y53-L88 HydrophobicContact CD2-CD2 3.95Å; Y53-L88 HydrophobicContact CD2-CG 4.04Å; Y53-V92 HydrophobicContact CD2-CG2 4.41Å; Y53-V92 HydrophobicContact CE2-CG2 3.7Å; Y53-L267 HydrophobicContact CD1-CD1 3.77Å; Y53-L267 HydrophobicContact CD1-CG 4.41Å; Y53-L267 HydrophobicContact CE1-CD1 3.73Å; Y53-L267 HydrophobicContact CE1-CD2 3.76Å; Y53-L267 HydrophobicContact CE1-CG 3.89Å; Y53-L267 HydrophobicContact CG-CD1 4.46Å; Y53-Y322 WeakPolarHBondContact OH-CE1 3.4Å; Y53-Y322 VanDerWaalsContact OH-CZ 3.29Å; Y53-Y322 PolarHBondContact OH-OH 3.33Å | ||
| 54 | F | 89.4 | Confident | 89.4 | Confident | 77 Ų | 77 | 65 Ų | 65 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | trans | -127.2 | 117.9 | 177.4 | -57.8 | -77.6 | 0 | 0 | 0 | 107.9 | D52 E56 E57 Q59 | D52-F54 HydrophobicContact CB-CE2 3.66Å; D52-F54 HydrophobicContact CB-CZ 3.88Å; F54-E56 PolarHBondContact O-N 2.64Å; F54-E57 HydrophobicContact CB-CB 3.92Å; F54-E57 HydrophobicContact CB-CG 3.78Å; F54-E57 HydrophobicContact CG-CG 4.45Å; F54-E57 PolarHBondContact O-N 3.39Å; F54-Q59 PolarHBondContact O-OE1 2.93Å | ||
| 55 | F | 88.4 | Confident | 90.1 | Very high | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -37.4 | -178 | 166.9 | -101.3 | 0 | 0 | 0 | 111.3 | Y53 E57 F266 I318 Y322 L496 I499 P500 | Y53-F55 HydrophobicContact CE1-CB 4.34Å; F55-E57 VanDerWaalsContact C-N 3.29Å; F55-E57 PolarHBondContact O-N 3.08Å; F55-F266 HydrophobicContact CD2-CD1 4.34Å; F55-F266 AromaticContact CD2-CE1 3.55Å; F55-F266 HydrophobicContact CD2-CE1 3.55Å; F55-F266 HydrophobicContact CD2-CZ 4.03Å; F55-F266 AromaticContact CE2-CE1 3.71Å; F55-F266 HydrophobicContact CE2-CE1 3.71Å; F55-F266 AromaticContact CE2-CZ 3.71Å; F55-F266 HydrophobicContact CE2-CZ 3.71Å; F55-F266 HydrophobicContact CG-CE1 4.45Å; F55-F266 HydrophobicContact CZ-CZ 4.43Å; F55-I318 WeakPolarHBondContact O-CG2 3.36Å; F55-Y322 HydrophobicContact CD2-CD2 4.38Å; F55-Y322 HydrophobicContact CD2-CE1 4.11Å; F55-Y322 AromaticContact CD2-CE2 3.78Å; F55-Y322 HydrophobicContact CD2-CE2 3.78Å; F55-Y322 AromaticContact CD2-CZ 3.63Å; F55-Y322 HydrophobicContact CE2-CD1 4.4Å; F55-Y322 AromaticContact CE2-CD2 3.75Å; F55-Y322 HydrophobicContact CE2-CD2 3.75Å; F55-Y322 HydrophobicContact CE2-CE1 4.25Å; F55-Y322 AromaticContact CE2-CE2 3.56Å; F55-Y322 HydrophobicContact CE2-CE2 3.56Å; F55-Y322 HydrophobicContact CE2-CG 4.17Å; F55-Y322 AromaticContact CE2-CZ 3.84Å; F55-L496 HydrophobicContact CD1-CB 4.14Å; F55-L496 WeakPolarHBondContact CD1-O 3.34Å; F55-L496 HydrophobicContact CE1-CB 3.83Å; F55-L496 HydrophobicContact CE1-CD2 4.19Å; F55-L496 HydrophobicContact CE1-CG 4.46Å; F55-L496 WeakPolarHBondContact CE1-O 3.5Å; F55-I499 HydrophobicContact CE1-CB 3.83Å; F55-I499 HydrophobicContact CE1-CG1 4.48Å; F55-I499 HydrophobicContact CE1-CG2 4.1Å; F55-I499 HydrophobicContact CZ-CB 4.29Å; F55-I499 HydrophobicContact CZ-CG2 4.05Å; F55-P500 HydrophobicContact CB-CG 4.01Å; F55-P500 HydrophobicContact CD1-CG 3.57Å; F55-P500 HydrophobicContact CD2-CG 4.47Å; F55-P500 HydrophobicContact CE1-CG 4.17Å; F55-P500 HydrophobicContact CG-CG 3.75Å |
| 56 | E | 88.1 | Confident | 90.7 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 15% | 0.154 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3.6 | -174 | 75 | -78.4 | -173.9 | 0 | 0 | 113.8 | F54 I318 K493 L496 | F54-E56 PolarHBondContact O-N 2.64Å; E56-I318 WeakPolarHBondContact O-CD1 3.2Å; E56-K493 WeakPolarHBondContact CB-O 3.38Å; E56-K493 HydrophobicContact CG-CB 4.15Å; E56-K493 HydrophobicContact CG-CG 3.59Å; E56-L496 HydrophobicContact CB-CB 3.74Å |
| 57 | E | 87.9 | Confident | 91.4 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -121.9 | 138.5 | 179.9 | -57.9 | -168.6 | -179.1 | 0 | 0 | 113.1 | M23 F54 F55 Q59 K493 | M23-E57 HydrophobicContact CE-CG 4.08Å; F54-E57 HydrophobicContact CB-CB 3.92Å; F54-E57 HydrophobicContact CB-CG 3.78Å; F54-E57 HydrophobicContact CG-CG 4.45Å; F54-E57 PolarHBondContact O-N 3.39Å; F55-E57 VanDerWaalsContact C-N 3.29Å; F55-E57 PolarHBondContact O-N 3.08Å; E57-Q59 HydrophobicContact CB-CG 4.17Å; E57-Q59 PolarHBondContact O-N 3.26Å; E57-Q59 VanDerWaalsContact O-N 3.1Å; E57-K493 IonicContact OE1-NZ 2.78Å; E57-K493 PolarHBondContact OE1-NZ 3.39Å |
| 58 | R | 87.3 | Confident | 91.9 | Very high | 99 Ų | 99 | 46.7 Ų | 46.7 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | trans | -79.8 | 92.1 | 169.9 | -168.8 | 178.6 | 175.3 | 143.7 | 13.6 | 110.7 | N60 T87 E317 I318 | R58-N60 PolarHBondContact NE-OD1 3.02Å; R58-N60 VanDerWaalsContact NE-OD1 3.17Å; R58-N60 PolarHBondContact O-N 3.26Å; R58-T87 HydrophobicContact CG-CG2 3.94Å; R58-E317 IonicContact CZ-OE2 2.82Å; R58-E317 IonicContact NH1-OE1 2.65Å; R58-E317 PolarHBondContact NH1-OE1 3.48Å; R58-E317 IonicContact NH1-OE2 3.21Å; R58-E317 PolarHBondContact NH1-OE2 3.28Å; R58-I318 HydrophobicContact CB-CD1 4.48Å; R58-I318 HydrophobicContact CB-CG1 4.16Å | ||
| 59 | Q | 91.7 | Very high | 91.9 | Very high | 33 Ų | 33 | 44 Ų | 44 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | trans | -89.1 | 91.7 | -179.1 | -59.3 | 178.1 | -89.3 | 0 | 0 | 111.2 | D52 F54 E57 T87 L88 | D52-Q59 PolarHBondContact O-NE2 3.24Å; F54-Q59 PolarHBondContact O-OE1 2.93Å; E57-Q59 HydrophobicContact CB-CG 4.17Å; E57-Q59 PolarHBondContact O-N 3.26Å; E57-Q59 VanDerWaalsContact O-N 3.1Å; Q59-T87 CarbonylContact O-C 3.49Å; Q59-T87 VanDerWaalsContact O-CA 3.26Å; Q59-T87 WeakPolarHBondContact O-CA 3.49Å; Q59-L88 HydrophobicContact CB-CB 3.92Å; Q59-L88 PolarHBondContact O-N 2.85Å | ||
| 60 | N | 93.9 | Very high | 91.8 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133.3 | -177.6 | -65.3 | -38.6 | 0 | 0 | 0 | 112.4 | Q21 W28 R58 | Q21-N60 HydrophobicContact CB-CB 4.16Å; Q21-N60 PolarHBondContact N-O 3.4Å; Q21-N60 PolarHBondContact OE1-ND2 2.98Å; W28-N60 HydrophobicContact CH2-CB 3.86Å; W28-N60 HydrophobicContact CZ3-CB 4.32Å; R58-N60 PolarHBondContact NE-OD1 3.02Å; R58-N60 VanDerWaalsContact NE-OD1 3.17Å; R58-N60 PolarHBondContact O-N 3.26Å |
| 61 | L | 96.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.7 | 178.5 | -52.4 | 179.8 | 0 | 0 | 0 | 110.1 | L18 T20 L51 F63 C86 L88 | L18-L61 HydrophobicContact CD1-CB 4.14Å; L18-L61 HydrophobicContact CD1-CD2 4.26Å; T20-L61 HydrophobicContact CG2-CD2 4.01Å; L51-L61 HydrophobicContact CD1-CD2 4.01Å; L61-F63 HydrophobicContact CB-CE2 3.8Å; L61-F63 HydrophobicContact CB-CZ 4.36Å; L61-F63 HydrophobicContact CD1-CE2 4.2Å; L61-F63 HydrophobicContact CD1-CZ 4.15Å; L61-C86 WeakPolarHBondContact CA-O 3.37Å; L61-C86 PolarHBondContact N-O 2.86Å; L61-C86 PolarHBondContact O-N 2.89Å; L61-C86 VanDerWaalsContact O-N 3.09Å; L61-L88 HydrophobicContact CD1-CB 4.12Å; L61-L88 HydrophobicContact CD1-CD1 4.28Å |
| 62 | R | 97.2 | Very high | 91.5 | Very high | 38 Ų | 38 | 48 Ų | 48 | 14% | 0.143 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 127.6 | 169 | -178.7 | -172.4 | 87.3 | -160.4 | 6.1 | 109.2 | Y19 W28 D64 A84 Y85 | Y19-R62 PolarHBondContact N-O 3.25Å; Y19-R62 PolarHBondContact O-N 2.88Å; W28-R62 HydrophobicContact CD2-CB 4.18Å; W28-R62 HydrophobicContact CE3-CB 3.74Å; W28-R62 HydrophobicContact CH2-CB 3.65Å; W28-R62 HydrophobicContact CZ2-CB 4.11Å; W28-R62 HydrophobicContact CZ3-CB 3.46Å; W28-R62 VanDerWaalsContact CZ3-CB 3.46Å; R62-D64 WeakPolarHBondContact CD-OD1 3.29Å; R62-D64 WeakPolarHBondContact CG-OD1 3.2Å; R62-D64 IonicContact CZ-OD2 3.8Å; R62-D64 VanDerWaalsContact CZ-OD2 3.25Å; R62-D64 IonicContact NE-OD1 3.94Å; R62-D64 PolarHBondContact NE-OD1 3.45Å; R62-D64 VanDerWaalsContact NE-OD1 3.08Å; R62-D64 IonicContact NE-OD2 2.72Å; R62-D64 PolarHBondContact NE-OD2 3.02Å; R62-D64 IonicContact NH2-OD2 2.8Å; R62-D64 PolarHBondContact NH2-OD2 2.93Å; R62-A84 WeakPolarHBondContact CA-O 3.36Å; R62-Y85 HydrophobicContact CB-CD1 3.94Å; R62-Y85 HydrophobicContact CB-CE1 3.96Å; R62-Y85 VanDerWaalsContact CD-CZ 3.5Å; R62-Y85 WeakPolarHBondContact CD-OH 3.37Å; R62-Y85 HydrophobicContact CG-CD1 3.86Å; R62-Y85 HydrophobicContact CG-CE1 3.55Å; R62-Y85 HydrophobicContact CG-CE2 4.45Å; R62-Y85 HydrophobicContact CG-CG 4.46Å |
| 63 | F | 97.8 | Very high | 91.4 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.7 | 177.6 | -61.8 | -93.7 | 0 | 0 | 0 | 108.5 | V17 L18 L61 Q83 A84 I114 V116 | V17-F63 WeakPolarHBondContact O-CA 3.39Å; L18-F63 HydrophobicContact CD1-CD1 4.01Å; L18-F63 HydrophobicContact CD1-CE1 3.69Å; L18-F63 HydrophobicContact CD1-CE2 4.2Å; L18-F63 HydrophobicContact CD1-CG 4.43Å; L18-F63 HydrophobicContact CD1-CZ 3.79Å; L61-F63 HydrophobicContact CB-CE2 3.8Å; L61-F63 HydrophobicContact CB-CZ 4.36Å; L61-F63 HydrophobicContact CD1-CE2 4.2Å; L61-F63 HydrophobicContact CD1-CZ 4.15Å; F63-Q83 CarbonylContact O-C 3.57Å; F63-Q83 WeakPolarHBondContact O-CA 3.36Å; F63-A84 PolarHBondContact N-O 2.78Å; F63-A84 PolarHBondContact O-N 2.91Å; F63-I114 HydrophobicContact CB-CD1 3.58Å; F63-I114 HydrophobicContact CD1-CD1 3.9Å; F63-I114 HydrophobicContact CD2-CD1 4.33Å; F63-I114 HydrophobicContact CG-CD1 3.68Å; F63-V116 HydrophobicContact CD2-CG2 4.45Å; F63-V116 HydrophobicContact CE1-CG1 4.44Å; F63-V116 HydrophobicContact CE1-CG2 4.34Å; F63-V116 HydrophobicContact CE2-CG1 4.49Å; F63-V116 HydrophobicContact CE2-CG2 4.06Å; F63-V116 HydrophobicContact CZ-CG1 3.87Å; F63-V116 HydrophobicContact CZ-CG2 3.99Å |
| 64 | D | 97.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.6 | 175.8 | -61 | -12.6 | 0 | 0 | 0 | 108.4 | V17 Y19 R62 Y66 F80 Q83 | V17-D64 PolarHBondContact N-O 3.44Å; V17-D64 PolarHBondContact O-N 2.95Å; Y19-D64 WeakPolarHBondContact CD2-OD2 3.46Å; Y19-D64 HydrophobicContact CE2-CB 4.05Å; Y19-D64 WeakPolarHBondContact CE2-OD2 3.32Å; R62-D64 WeakPolarHBondContact CD-OD1 3.29Å; R62-D64 WeakPolarHBondContact CG-OD1 3.2Å; R62-D64 IonicContact CZ-OD2 3.8Å; R62-D64 VanDerWaalsContact CZ-OD2 3.25Å; R62-D64 IonicContact NE-OD1 3.94Å; R62-D64 PolarHBondContact NE-OD1 3.45Å; R62-D64 VanDerWaalsContact NE-OD1 3.08Å; R62-D64 IonicContact NE-OD2 2.72Å; R62-D64 PolarHBondContact NE-OD2 3.02Å; R62-D64 IonicContact NH2-OD2 2.8Å; R62-D64 PolarHBondContact NH2-OD2 2.93Å; D64-Y66 HydrophobicContact CB-CD2 4.44Å; D64-Y66 HydrophobicContact CB-CE2 3.63Å; D64-F80 HydrophobicContact CB-CE2 4.24Å; D64-Q83 VanDerWaalsContact OD1-CB 3.29Å; D64-Q83 WeakPolarHBondContact OD1-CB 3.49Å |
| 65 | L | 96.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138.9 | 176.8 | -74.5 | 82.4 | 0 | 0 | 0 | 110.3 | L3 I15 C16 L81 G82 L103 I114 | L3-L65 HydrophobicContact CD1-CD2 3.72Å; L3-L65 HydrophobicContact CD2-CD2 3.62Å; L3-L65 HydrophobicContact CG-CD2 4.34Å; I15-L65 WeakPolarHBondContact O-CA 3.32Å; C16-L65 HydrophobicContact CB-CG 4.5Å; L65-L81 HydrophobicContact CB-CB 4.03Å; L65-L81 PolarHBondContact O-N 2.89Å; L65-G82 PolarHBondContact N-O 2.86Å; L65-L103 HydrophobicContact CD1-CD1 4.15Å; L65-L103 HydrophobicContact CD1-CD2 3.72Å; L65-L103 HydrophobicContact CD2-CD1 4.11Å; L65-I114 HydrophobicContact CD1-CD1 4.28Å |
| 66 | Y | 96.4 | Very high | 91.6 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 12% | 0.122 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152.1 | 178.8 | -63.8 | -93.8 | 0 | 0 | 0 | 110.8 | P14 I15 V17 D64 L75 H78 D79 F80 | P14-Y66 CarbonylContact C-O 3.36Å; P14-Y66 VanDerWaalsContact CA-O 3.27Å; P14-Y66 WeakPolarHBondContact CA-O 3.5Å; I15-Y66 PolarHBondContact N-O 2.59Å; I15-Y66 PolarHBondContact O-N 3.12Å; V17-Y66 HydrophobicContact CG2-CD2 3.99Å; V17-Y66 HydrophobicContact CG2-CE2 4.09Å; D64-Y66 HydrophobicContact CB-CD2 4.44Å; D64-Y66 HydrophobicContact CB-CE2 3.63Å; Y66-L75 HydrophobicContact CD2-CD2 3.98Å; Y66-L75 HydrophobicContact CE1-CB 4.24Å; Y66-L75 HydrophobicContact CE2-CD1 4.04Å; Y66-L75 HydrophobicContact CE2-CD2 4.1Å; Y66-L75 HydrophobicContact CE2-CG 4.45Å; Y66-L75 HydrophobicContact CG-CD2 4.31Å; Y66-H78 HydrophobicContact CD1-CB 4.19Å; Y66-H78 HydrophobicContact CG-CB 4.49Å; Y66-D79 CarbonylContact C-O 3.59Å; Y66-D79 VanDerWaalsContact CA-O 3.24Å; Y66-D79 WeakPolarHBondContact CA-O 3.41Å; Y66-F80 HydrophobicContact CD1-CB 4.27Å; Y66-F80 HydrophobicContact CD1-CD2 4.24Å; Y66-F80 HydrophobicContact CE1-CB 4.13Å; Y66-F80 AromaticContact CE1-CD2 3.77Å; Y66-F80 HydrophobicContact CE1-CD2 3.77Å; Y66-F80 HydrophobicContact CE1-CG 4.43Å; Y66-F80 HydrophobicContact CE2-CD2 4.47Å; Y66-F80 AromaticContact CZ-CD2 3.89Å |
| 67 | D | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 124.7 | 168.2 | -165.1 | -1.3 | 0 | 0 | 0 | 109.5 | S12 D13 D69 H78 D79 L81 | S12-D67 WeakPolarHBondContact CA-OD1 3.21Å; S12-D67 VanDerWaalsContact CA-OD2 3.27Å; S12-D67 WeakPolarHBondContact CA-OD2 2.98Å; S12-D67 WeakPolarHBondContact CB-OD1 3.25Å; S12-D67 WeakPolarHBondContact CB-OD2 3.16Å; S12-D67 PolarHBondContact OG-OD2 2.66Å; D13-D67 PolarHBondContact N-OD1 2.89Å; D67-D69 PolarHBondContact O-N 2.67Å; D67-H78 WeakPolarHBondContact O-CA 3.19Å; D67-H78 WeakPolarHBondContact O-CB 3.19Å; D67-D79 HydrophobicContact CB-CB 4.04Å; D67-D79 PolarHBondContact N-O 2.94Å; D67-D79 PolarHBondContact O-N 2.96Å; D67-L81 HydrophobicContact CB-CD1 4.06Å; D67-L81 HydrophobicContact CB-CD2 4Å; D67-L81 HydrophobicContact CB-CG 4.04Å |
| 68 | V | 91.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | trans | -92.5 | 90.1 | -168.4 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | D13 I15 V36 S70 | D13-V68 HydrophobicContact CB-CB 4.46Å; D13-V68 PolarHBondContact O-N 3.29Å; I15-V68 HydrophobicContact CB-CG2 3.86Å; I15-V68 HydrophobicContact CG2-CG2 3.46Å; I15-V68 VanDerWaalsContact CG2-CG2 3.46Å; V36-V68 HydrophobicContact CG1-CB 3.97Å; V36-V68 HydrophobicContact CG1-CG2 3.98Å; V36-V68 HydrophobicContact CG2-CB 4.33Å; V36-V68 HydrophobicContact CG2-CG1 4.31Å; V36-V68 HydrophobicContact CG2-CG2 3.85Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 WeakPolarHBondContact CG1-O 3.43Å; V68-S70 PolarHBondContact O-N 2.67Å | ||
| 69 | D | 85.4 | Confident | 92.2 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | trans | -76.2 | -11 | -178.9 | -51.1 | -64.4 | 0 | 0 | 0 | 115.5 | D67 H78 D79 | D67-D69 PolarHBondContact O-N 2.67Å; D69-H78 PolarHBondContact N-ND1 3.22Å; D69-H78 WeakPolarHBondContact OD2-CA 3.34Å; D69-D79 PolarHBondContact OD2-N 2.8Å; D69-D79 VanDerWaalsContact OD2-N 3.13Å | ||
| 70 | S | 88.2 | Confident | 92.4 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 33% | 0.329 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -155.6 | 168.1 | -172 | 74.8 | 0 | 0 | 0 | 0 | 113.7 | V68 S72 H78 | V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 WeakPolarHBondContact CG1-O 3.43Å; V68-S70 PolarHBondContact O-N 2.67Å; S70-S72 PolarHBondContact O-N 3.29Å; S70-S72 WeakPolarHBondContact OG-CB 3.37Å; S70-S72 PolarHBondContact OG-N 2.62Å; S70-H78 PolarHBondContact O-CE1 2.92Å |
| 71 | K | 86 | Confident | 92.4 | Very high | 221 Ų | 221 | 52.3 Ų | 52.3 | 96% | 0.961 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -74.9 | 4 | 174.9 | -59.7 | -174.6 | 179.5 | -177.6 | 0 | 114.2 | ||
| 72 | S | 89.2 | Confident | 92.4 | Very high | 31 Ų | 31 | 52 Ų | 52 | 22% | 0.217 | 27% | 0.265 | C | S | . | . | trans | -72 | 141.5 | -177.8 | 174.5 | 0 | 0 | 0 | 0 | 111 | S70 N74 K77 H78 | S70-S72 PolarHBondContact O-N 3.29Å; S70-S72 WeakPolarHBondContact OG-CB 3.37Å; S70-S72 PolarHBondContact OG-N 2.62Å; S72-N74 VanDerWaalsContact C-N 3.31Å; S72-N74 WeakPolarHBondContact OG-CB 3.44Å; S72-N74 PolarHBondContact OG-N 3.41Å; S72-N74 VanDerWaalsContact OG-N 3.1Å; S72-K77 WeakPolarHBondContact OG-CD 3.49Å; S72-H78 PolarHBondContact O-CE1 2.8Å; S72-H78 PolarHBondContact O-NE2 3.1Å | ||
| 73 | A | 85.8 | Confident | 92.4 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -81.7 | -10.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R33 L75 | R33-A73 PolarHBondContact NH1-O 2.96Å; A73-L75 PolarHBondContact O-N 3.43Å |
| 74 | N | 90.2 | Very high | 92.4 | Very high | 71 Ų | 71 | 52.3 Ų | 52.3 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | trans | -78.3 | 114.5 | 179.1 | -177.6 | 0.6 | 0 | 0 | 0 | 111.1 | S72 Q76 K77 | S72-N74 VanDerWaalsContact C-N 3.31Å; S72-N74 WeakPolarHBondContact OG-CB 3.44Å; S72-N74 PolarHBondContact OG-N 3.41Å; S72-N74 VanDerWaalsContact OG-N 3.1Å; N74-Q76 PolarHBondContact O-N 3.49Å; N74-Q76 WeakPolarHBondContact OD1-CB 3.32Å; N74-Q76 PolarHBondContact OD1-N 2.91Å; N74-K77 HydrophobicContact CB-CG 4.39Å; N74-K77 PolarHBondContact O-N 3.08Å | ||
| 75 | L | 90.8 | Very high | 92.3 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -60.2 | -22.5 | 179.5 | -63.3 | 174.5 | 0 | 0 | 0 | 114 | V17 Y19 Y66 A73 K77 H78 | V17-L75 HydrophobicContact CG1-CD1 4.38Å; V17-L75 HydrophobicContact CG2-CD1 4.12Å; V17-L75 HydrophobicContact CG2-CD2 3.92Å; Y19-L75 WeakPolarHBondContact OH-CD1 3.39Å; Y66-L75 HydrophobicContact CD2-CD2 3.98Å; Y66-L75 HydrophobicContact CE1-CB 4.24Å; Y66-L75 HydrophobicContact CE2-CD1 4.04Å; Y66-L75 HydrophobicContact CE2-CD2 4.1Å; Y66-L75 HydrophobicContact CE2-CG 4.45Å; Y66-L75 HydrophobicContact CG-CD2 4.31Å; A73-L75 PolarHBondContact O-N 3.43Å; L75-K77 PolarHBondContact O-N 2.86Å; L75-H78 PolarHBondContact O-N 3.07Å |
| 76 | Q | 90.4 | Very high | 92.2 | Very high | 172 Ų | 172 | 57.2 Ų | 57.2 | 80% | 0.804 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -68.7 | -10 | 175.4 | -63.4 | 179.1 | -7.2 | 0 | 0 | 113.4 | N74 | N74-Q76 PolarHBondContact O-N 3.49Å; N74-Q76 WeakPolarHBondContact OD1-CB 3.32Å; N74-Q76 PolarHBondContact OD1-N 2.91Å |
| 77 | K | 90.4 | Very high | 92.1 | Very high | 124 Ų | 124 | 56 Ų | 56 | 54% | 0.539 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -102.4 | 16.1 | 177.4 | -55 | -165.3 | -167.3 | 166.8 | 0 | 113 | S72 N74 L75 | S72-K77 WeakPolarHBondContact OG-CD 3.49Å; N74-K77 HydrophobicContact CB-CG 4.39Å; N74-K77 PolarHBondContact O-N 3.08Å; L75-K77 PolarHBondContact O-N 2.86Å |
| 78 | H | 92.5 | Very high | 92.1 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -129.5 | 143.8 | -177.2 | -63.6 | -37.9 | 0 | 0 | 0 | 108.6 | Y66 D67 D69 S70 S72 L75 F80 | Y66-H78 HydrophobicContact CD1-CB 4.19Å; Y66-H78 HydrophobicContact CG-CB 4.49Å; D67-H78 WeakPolarHBondContact O-CA 3.19Å; D67-H78 WeakPolarHBondContact O-CB 3.19Å; D69-H78 PolarHBondContact N-ND1 3.22Å; D69-H78 WeakPolarHBondContact OD2-CA 3.34Å; S70-H78 PolarHBondContact O-CE1 2.92Å; S72-H78 PolarHBondContact O-CE1 2.8Å; S72-H78 PolarHBondContact O-NE2 3.1Å; L75-H78 PolarHBondContact O-N 3.07Å; H78-F80 PolarHBondContact O-N 2.91Å |
| 79 | D | 93 | Very high | 92 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 36% | 0.364 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.4 | -179.9 | -82.2 | -15.2 | 0 | 0 | 0 | 111.4 | M6 Y66 D67 D69 L81 | M6-D79 HydrophobicContact CB-CB 4.22Å; M6-D79 HydrophobicContact CE-CB 3.95Å; M6-D79 HydrophobicContact CG-CB 4.31Å; Y66-D79 CarbonylContact C-O 3.59Å; Y66-D79 VanDerWaalsContact CA-O 3.24Å; Y66-D79 WeakPolarHBondContact CA-O 3.41Å; D67-D79 HydrophobicContact CB-CB 4.04Å; D67-D79 PolarHBondContact N-O 2.94Å; D67-D79 PolarHBondContact O-N 2.96Å; D69-D79 PolarHBondContact OD2-N 2.8Å; D69-D79 VanDerWaalsContact OD2-N 3.13Å; D79-L81 PolarHBondContact O-N 2.88Å |
| 80 | F | 95.4 | Very high | 92.4 | Very high | 54 Ų | 54 | 54 Ų | 54 | 24% | 0.237 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 125.3 | 179.6 | 178.9 | -111.5 | 0 | 0 | 0 | 110.6 | D64 Y66 H78 G82 Q83 I106 | D64-F80 HydrophobicContact CB-CE2 4.24Å; Y66-F80 HydrophobicContact CD1-CB 4.27Å; Y66-F80 HydrophobicContact CD1-CD2 4.24Å; Y66-F80 HydrophobicContact CE1-CB 4.13Å; Y66-F80 AromaticContact CE1-CD2 3.77Å; Y66-F80 HydrophobicContact CE1-CD2 3.77Å; Y66-F80 HydrophobicContact CE1-CG 4.43Å; Y66-F80 HydrophobicContact CE2-CD2 4.47Å; Y66-F80 AromaticContact CZ-CD2 3.89Å; H78-F80 PolarHBondContact O-N 2.91Å; F80-G82 WeakPolarHBondContact CE2-O 3.47Å; F80-Q83 HydrophobicContact CE2-CB 4.23Å; F80-Q83 HydrophobicContact CZ-CB 3.76Å; F80-Q83 HydrophobicContact CZ-CG 3.92Å; F80-I106 HydrophobicContact CD1-CD1 3.96Å; F80-I106 HydrophobicContact CD1-CG1 3.78Å; F80-I106 HydrophobicContact CE1-CD1 4.43Å; F80-I106 HydrophobicContact CE1-CG1 3.94Å; F80-I106 VanDerWaalsContact O-CD1 3.27Å; F80-I106 WeakPolarHBondContact O-CD1 3.28Å |
| 81 | L | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -24 | -177.9 | -64.1 | 178.6 | 0 | 0 | 0 | 112.9 | L3 L4 M6 P14 L65 D67 D79 C111 | L3-L81 HydrophobicContact CD1-CD1 4.27Å; L4-L81 HydrophobicContact CB-CD2 4.1Å; L4-L81 WeakPolarHBondContact O-CD2 3.33Å; M6-L81 HydrophobicContact CB-CD2 4.41Å; M6-L81 HydrophobicContact CG-CD2 3.51Å; P14-L81 HydrophobicContact CB-CD1 4.25Å; L65-L81 HydrophobicContact CB-CB 4.03Å; L65-L81 PolarHBondContact O-N 2.89Å; D67-L81 HydrophobicContact CB-CD1 4.06Å; D67-L81 HydrophobicContact CB-CD2 4Å; D67-L81 HydrophobicContact CB-CG 4.04Å; D79-L81 PolarHBondContact O-N 2.88Å; L81-C111 VanDerWaalsContact O-CB 3.3Å; L81-C111 WeakPolarHBondContact O-CB 3.37Å |
| 82 | G | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.7 | 170.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L65 F80 G104 | L65-G82 PolarHBondContact N-O 2.86Å; F80-G82 WeakPolarHBondContact CE2-O 3.47Å; G82-G104 CarbonylContact C-O 3.56Å; G82-G104 VanDerWaalsContact CA-O 3.22Å; G82-G104 WeakPolarHBondContact CA-O 3.44Å |
| 83 | Q | 97.2 | Very high | 92.6 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 23% | 0.234 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.9 | 178.4 | 62.9 | -176.1 | 12.7 | 0 | 0 | 112.5 | F63 D64 F80 Y85 G104 | F63-Q83 CarbonylContact O-C 3.57Å; F63-Q83 WeakPolarHBondContact O-CA 3.36Å; D64-Q83 VanDerWaalsContact OD1-CB 3.29Å; D64-Q83 WeakPolarHBondContact OD1-CB 3.49Å; F80-Q83 HydrophobicContact CE2-CB 4.23Å; F80-Q83 HydrophobicContact CZ-CB 3.76Å; F80-Q83 HydrophobicContact CZ-CG 3.92Å; Q83-Y85 HydrophobicContact CG-CE2 3.96Å; Q83-Y85 PolarHBondContact NE2-OH 2.77Å; Q83-Y85 PolarHBondContact OE1-OH 3.38Å; Q83-G104 PolarHBondContact N-O 3.43Å; Q83-G104 PolarHBondContact O-N 2.79Å |
| 84 | A | 97.3 | Very high | 92.6 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 5% | 0.05 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R62 F63 L103 I114 | R62-A84 WeakPolarHBondContact CA-O 3.36Å; F63-A84 PolarHBondContact N-O 2.78Å; F63-A84 PolarHBondContact O-N 2.91Å; A84-L103 HydrophobicContact CB-CD2 3.94Å; A84-I114 HydrophobicContact CB-CG2 3.63Å |
| 85 | Y | 96.2 | Very high | 92.2 | Very high | 100 Ų | 100 | 41.1 Ų | 41.1 | 39% | 0.392 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.3 | 176.5 | -61.1 | -98.3 | 0 | 0 | 0 | 110 | W28 R62 Q83 K101 | W28-Y85 HydrophobicContact CH2-CD1 4.09Å; W28-Y85 HydrophobicContact CH2-CE1 4.43Å; W28-Y85 AromaticContact CZ2-CD1 3.75Å; W28-Y85 HydrophobicContact CZ2-CD1 3.75Å; W28-Y85 AromaticContact CZ2-CE1 3.76Å; W28-Y85 HydrophobicContact CZ2-CE1 3.76Å; R62-Y85 HydrophobicContact CB-CD1 3.94Å; R62-Y85 HydrophobicContact CB-CE1 3.96Å; R62-Y85 VanDerWaalsContact CD-CZ 3.5Å; R62-Y85 WeakPolarHBondContact CD-OH 3.37Å; R62-Y85 HydrophobicContact CG-CD1 3.86Å; R62-Y85 HydrophobicContact CG-CE1 3.55Å; R62-Y85 HydrophobicContact CG-CE2 4.45Å; R62-Y85 HydrophobicContact CG-CG 4.46Å; Q83-Y85 HydrophobicContact CG-CE2 3.96Å; Q83-Y85 PolarHBondContact NE2-OH 2.77Å; Q83-Y85 PolarHBondContact OE1-OH 3.38Å; Y85-K101 WeakPolarHBondContact O-CD 3.19Å; Y85-K101 PolarHBondContact O-NZ 3.19Å |
| 86 | C | 95.1 | Very high | 91.5 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 9% | 0.088 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 176.5 | 170.1 | 61.1 | 0 | 0 | 0 | 0 | 110 | L61 E90 L99 | L61-C86 WeakPolarHBondContact CA-O 3.37Å; L61-C86 PolarHBondContact N-O 2.86Å; L61-C86 PolarHBondContact O-N 2.89Å; L61-C86 VanDerWaalsContact O-N 3.09Å; C86-E90 VanDerWaalsContact CA-OE2 3.32Å; C86-E90 WeakPolarHBondContact CA-OE2 3.25Å; C86-E90 WeakPolarHBondContact CB-OE2 3.31Å; C86-L99 HydrophobicContact CB-CD2 3.56Å |
| 87 | T | 94 | Very high | 91.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 158.6 | 165.8 | 61.9 | 0 | 0 | 0 | 0 | 109.5 | R58 Q59 G89 E90 V91 D321 | R58-T87 HydrophobicContact CG-CG2 3.94Å; Q59-T87 CarbonylContact O-C 3.49Å; Q59-T87 VanDerWaalsContact O-CA 3.26Å; Q59-T87 WeakPolarHBondContact O-CA 3.49Å; T87-G89 PolarHBondContact O-N 2.92Å; T87-E90 PolarHBondContact O-N 3.1Å; T87-E90 VanDerWaalsContact OG1-CB 3.24Å; T87-E90 WeakPolarHBondContact OG1-CB 3.38Å; T87-E90 PolarHBondContact OG1-N 3.18Å; T87-V91 PolarHBondContact O-N 3.49Å; T87-D321 PolarHBondContact OG1-OD2 3.13Å |
| 88 | L | 93.7 | Very high | 91.1 | Very high | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.9 | -37.5 | 169.7 | -175 | 56.2 | 0 | 0 | 0 | 110.7 | L51 Y53 Q59 L61 E90 V91 V92 | L51-L88 HydrophobicContact CB-CD2 4.28Å; Y53-L88 HydrophobicContact CD2-CD2 3.95Å; Y53-L88 HydrophobicContact CD2-CG 4.04Å; Q59-L88 HydrophobicContact CB-CB 3.92Å; Q59-L88 PolarHBondContact O-N 2.85Å; L61-L88 HydrophobicContact CD1-CB 4.12Å; L61-L88 HydrophobicContact CD1-CD1 4.28Å; L88-E90 PolarHBondContact O-N 2.88Å; L88-V91 PolarHBondContact O-N 2.88Å; L88-V92 HydrophobicContact CD1-CG1 4.34Å; L88-V92 WeakPolarHBondContact O-CG2 3.31Å; L88-V92 PolarHBondContact O-N 2.86Å |
| 89 | G | 91.6 | Very high | 91 | Very high | 6 Ų | 6 | 31 Ų | 31 | 6% | 0.062 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -52.2 | -50.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | T87 V91 V92 G93 | T87-G89 PolarHBondContact O-N 2.92Å; G89-V91 VanDerWaalsContact C-N 3.29Å; G89-V91 PolarHBondContact O-N 3.32Å; G89-V92 VanDerWaalsContact O-CG2 3.31Å; G89-V92 WeakPolarHBondContact O-CG2 3.16Å; G89-V92 PolarHBondContact O-N 3.05Å; G89-G93 WeakPolarHBondContact O-CA 3.32Å; G89-G93 PolarHBondContact O-N 2.91Å |
| 90 | E | 92.4 | Very high | 91 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | 178.3 | -173.8 | -177.5 | -170.3 | 0 | 0 | 111.9 | C86 T87 L88 S94 L99 K101 | C86-E90 VanDerWaalsContact CA-OE2 3.32Å; C86-E90 WeakPolarHBondContact CA-OE2 3.25Å; C86-E90 WeakPolarHBondContact CB-OE2 3.31Å; T87-E90 PolarHBondContact O-N 3.1Å; T87-E90 VanDerWaalsContact OG1-CB 3.24Å; T87-E90 WeakPolarHBondContact OG1-CB 3.38Å; T87-E90 PolarHBondContact OG1-N 3.18Å; L88-E90 PolarHBondContact O-N 2.88Å; E90-S94 WeakPolarHBondContact O-CB 3.4Å; E90-S94 PolarHBondContact O-N 2.73Å; E90-S94 VanDerWaalsContact O-N 3.11Å; E90-S94 PolarHBondContact O-OG 3.43Å; E90-L99 HydrophobicContact CG-CD1 4.1Å; E90-L99 HydrophobicContact CG-CD2 3.94Å; E90-K101 WeakPolarHBondContact OE1-CE 3.27Å; E90-K101 IonicContact OE1-NZ 3.92Å; E90-K101 PolarHBondContact OE1-NZ 2.96Å; E90-K101 IonicContact OE2-NZ 2.8Å; E90-K101 PolarHBondContact OE2-NZ 2.86Å |
| 91 | V | 91.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -48.2 | 176.9 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | T87 L88 G89 S97 L99 V116 A118 | T87-V91 PolarHBondContact O-N 3.49Å; L88-V91 PolarHBondContact O-N 2.88Å; G89-V91 VanDerWaalsContact C-N 3.29Å; G89-V91 PolarHBondContact O-N 3.32Å; V91-S97 CarbonylContact O-C 3.59Å; V91-S97 VanDerWaalsContact O-CA 3.23Å; V91-S97 WeakPolarHBondContact O-CA 3.25Å; V91-L99 HydrophobicContact CG2-CB 4.21Å; V91-L99 HydrophobicContact CG2-CD2 3.8Å; V91-V116 HydrophobicContact CG1-CB 4.41Å; V91-V116 HydrophobicContact CG1-CG1 3.92Å; V91-V116 HydrophobicContact CG2-CB 4.38Å; V91-V116 HydrophobicContact CG2-CG1 4.02Å; V91-A118 HydrophobicContact CG1-CB 3.71Å |
| 92 | V | 90 | Very high | 91 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.6 | -33.8 | -177.7 | -60 | 0 | 0 | 0 | 0 | 112.5 | Y53 L88 G89 S97 A118 L267 Y322 | Y53-V92 HydrophobicContact CD2-CG2 4.41Å; Y53-V92 HydrophobicContact CE2-CG2 3.7Å; L88-V92 HydrophobicContact CD1-CG1 4.34Å; L88-V92 WeakPolarHBondContact O-CG2 3.31Å; L88-V92 PolarHBondContact O-N 2.86Å; G89-V92 VanDerWaalsContact O-CG2 3.31Å; G89-V92 WeakPolarHBondContact O-CG2 3.16Å; G89-V92 PolarHBondContact O-N 3.05Å; V92-S97 PolarHBondContact O-OG 2.96Å; V92-S97 VanDerWaalsContact O-OG 3.05Å; V92-A118 HydrophobicContact CG1-CB 3.88Å; V92-L267 HydrophobicContact CB-CD2 4.1Å; V92-L267 HydrophobicContact CG2-CD2 3.92Å; V92-Y322 HydrophobicContact CG2-CE1 4.13Å |
| 93 | G | 86.9 | Confident | 91 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -75 | -20.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G89 | G89-G93 WeakPolarHBondContact O-CA 3.32Å; G89-G93 PolarHBondContact O-N 2.91Å |
| 94 | S | 85.9 | Confident | 90.8 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -64.7 | 147.3 | 171.7 | -68.7 | 0 | 0 | 0 | 0 | 111.3 | E90 G96 S97 | E90-S94 WeakPolarHBondContact O-CB 3.4Å; E90-S94 PolarHBondContact O-N 2.73Å; E90-S94 VanDerWaalsContact O-N 3.11Å; E90-S94 PolarHBondContact O-OG 3.43Å; S94-G96 PolarHBondContact O-N 3.09Å; S94-S97 VanDerWaalsContact O-CA 3.26Å; S94-S97 WeakPolarHBondContact O-CA 3.19Å; S94-S97 PolarHBondContact O-N 2.81Å |
| 95 | L | 81.1 | Confident | 90.5 | Very high | 119 Ų | 119 | 39.1 Ų | 39.1 | 62% | 0.623 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -53.8 | 124.9 | 179.7 | -175.6 | 65.9 | 0 | 0 | 0 | 111.5 | S97 R98 P518 | L95-S97 PolarHBondContact O-N 2.82Å; L95-R98 PolarHBondContact O-N 3.08Å; L95-P518 HydrophobicContact CD1-CG 3.7Å; L95-P518 HydrophobicContact CD2-CG 4.11Å; L95-P518 HydrophobicContact CG-CG 3.74Å |
| 96 | G | 76.6 | Confident | 90.2 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 26% | 0.258 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | 66.7 | 18.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S94 R98 | S94-G96 PolarHBondContact O-N 3.09Å; G96-R98 PolarHBondContact O-N 2.96Å |
| 97 | S | 85.1 | Confident | 90 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | 49.7 | 38.7 | -171.7 | -60.9 | 0 | 0 | 0 | 0 | 113.3 | V91 V92 S94 L95 K117 A118 K271 | V91-S97 CarbonylContact O-C 3.59Å; V91-S97 VanDerWaalsContact O-CA 3.23Å; V91-S97 WeakPolarHBondContact O-CA 3.25Å; V92-S97 PolarHBondContact O-OG 2.96Å; V92-S97 VanDerWaalsContact O-OG 3.05Å; S94-S97 VanDerWaalsContact O-CA 3.26Å; S94-S97 WeakPolarHBondContact O-CA 3.19Å; S94-S97 PolarHBondContact O-N 2.81Å; L95-S97 PolarHBondContact O-N 2.82Å; S97-K117 CarbonylContact O-C 3.47Å; S97-K117 WeakPolarHBondContact O-CA 3.37Å; S97-A118 WeakPolarHBondContact CB-O 3.32Å; S97-A118 PolarHBondContact O-N 3.3Å; S97-K271 WeakPolarHBondContact OG-CE 3.42Å; S97-K271 WeakPolarHBondContact OG-CG 3.47Å |
| 98 | R | 86.8 | Confident | 89.7 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 107.1 | -179.1 | -177.8 | -169.5 | 176.7 | -76.2 | 2.7 | 109.6 | L95 G96 E100 I115 V116 | L95-R98 PolarHBondContact O-N 3.08Å; G96-R98 PolarHBondContact O-N 2.96Å; R98-E100 IonicContact CZ-OE2 3.97Å; R98-E100 IonicContact NH1-OE2 2.79Å; R98-E100 PolarHBondContact NH1-OE2 3.32Å; R98-E100 IonicContact NH2-OE2 3.62Å; R98-E100 PolarHBondContact NH2-OE2 2.79Å; R98-I115 HydrophobicContact CG-CG2 3.92Å; R98-I115 VanDerWaalsContact NH2-CD1 3.32Å; R98-V116 WeakPolarHBondContact CA-O 3.29Å |
| 99 | L | 90.5 | Very high | 89.6 | Confident | 16 Ų | 16 | 53.6 Ų | 53.6 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.7 | 174.8 | -179.3 | 65 | 0 | 0 | 0 | 110.3 | C86 E90 V91 K101 I115 V116 | C86-L99 HydrophobicContact CB-CD2 3.56Å; E90-L99 HydrophobicContact CG-CD1 4.1Å; E90-L99 HydrophobicContact CG-CD2 3.94Å; V91-L99 HydrophobicContact CG2-CB 4.21Å; V91-L99 HydrophobicContact CG2-CD2 3.8Å; L99-K101 HydrophobicContact CD1-CG 4.28Å; L99-K101 HydrophobicContact CD2-CD 4.41Å; L99-K101 HydrophobicContact CD2-CG 4.31Å; L99-K101 HydrophobicContact CG-CG 4.16Å; L99-I115 CarbonylContact O-C 3.38Å; L99-I115 WeakPolarHBondContact O-CA 3.26Å; L99-V116 PolarHBondContact N-O 2.73Å; L99-V116 PolarHBondContact O-N 2.93Å |
| 100 | E | 92.8 | Very high | 89.5 | Confident | 102 Ų | 102 | 62.7 Ų | 62.7 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.9 | 173.1 | -173.7 | 164.9 | 165.6 | 0 | 0 | 109.2 | R98 T113 I114 I115 | R98-E100 IonicContact CZ-OE2 3.97Å; R98-E100 IonicContact NH1-OE2 2.79Å; R98-E100 PolarHBondContact NH1-OE2 3.32Å; R98-E100 IonicContact NH2-OE2 3.62Å; R98-E100 PolarHBondContact NH2-OE2 2.79Å; E100-T113 HydrophobicContact CG-CG2 3.35Å; E100-I114 WeakPolarHBondContact CA-O 3.19Å; E100-I115 HydrophobicContact CB-CG1 4.46Å; E100-I115 HydrophobicContact CG-CG1 3.99Å |
| 101 | K | 94.5 | Very high | 89.6 | Confident | 52 Ų | 52 | 60.9 Ų | 60.9 | 23% | 0.226 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.6 | -179 | -82.4 | -155.2 | 176 | 176.6 | 0 | 112.8 | Y85 E90 L99 T113 I114 | Y85-K101 WeakPolarHBondContact O-CD 3.19Å; Y85-K101 PolarHBondContact O-NZ 3.19Å; E90-K101 WeakPolarHBondContact OE1-CE 3.27Å; E90-K101 IonicContact OE1-NZ 3.92Å; E90-K101 PolarHBondContact OE1-NZ 2.96Å; E90-K101 IonicContact OE2-NZ 2.8Å; E90-K101 PolarHBondContact OE2-NZ 2.86Å; L99-K101 HydrophobicContact CD1-CG 4.28Å; L99-K101 HydrophobicContact CD2-CD 4.41Å; L99-K101 HydrophobicContact CD2-CG 4.31Å; L99-K101 HydrophobicContact CG-CG 4.16Å; K101-T113 CarbonylContact O-C 3.54Å; K101-T113 WeakPolarHBondContact O-CA 3.17Å; K101-T113 WeakPolarHBondContact O-CG2 3.33Å; K101-I114 HydrophobicContact CB-CG2 4.16Å; K101-I114 PolarHBondContact N-O 2.86Å; K101-I114 WeakPolarHBondContact O-CG2 3.44Å; K101-I114 PolarHBondContact O-N 3.36Å |
| 102 | P | 96 | Very high | 89.7 | Confident | 99 Ų | 99 | 61.4 Ų | 61.4 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 142.4 | 170.7 | 29.5 | -34.1 | 0 | 0 | 0 | 110 | ||
| 103 | L | 96.1 | Very high | 89.9 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | trans | -82.2 | 140.2 | 170.5 | -68.8 | 167.9 | 0 | 0 | 0 | 109.6 | L3 L65 A84 C111 G112 I114 | L3-L103 HydrophobicContact CD2-CD1 3.4Å; L3-L103 VanDerWaalsContact CD2-CD1 3.4Å; L65-L103 HydrophobicContact CD1-CD1 4.15Å; L65-L103 HydrophobicContact CD1-CD2 3.72Å; L65-L103 HydrophobicContact CD2-CD1 4.11Å; A84-L103 HydrophobicContact CB-CD2 3.94Å; L103-C111 HydrophobicContact CB-CB 3.61Å; L103-C111 WeakPolarHBondContact CD1-O 3.42Å; L103-C111 WeakPolarHBondContact O-CB 3.46Å; L103-G112 PolarHBondContact N-O 3.33Å; L103-I114 HydrophobicContact CD2-CB 4.07Å; L103-I114 HydrophobicContact CD2-CG2 4.09Å; L103-I114 HydrophobicContact CG-CB 4.35Å | ||
| 104 | G | 94.2 | Very high | 90.3 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -130.4 | -161.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | G82 Q83 | G82-G104 CarbonylContact C-O 3.56Å; G82-G104 VanDerWaalsContact CA-O 3.22Å; G82-G104 WeakPolarHBondContact CA-O 3.44Å; Q83-G104 PolarHBondContact N-O 3.43Å; Q83-G104 PolarHBondContact O-N 2.79Å |
| 105 | G | 89.2 | Confident | 90.6 | Very high | 54 Ų | 54 | 64.2 Ų | 64.2 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | trans | 98.8 | -10.4 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 106 | I | 91.2 | Very high | 91.1 | Very high | 42 Ų | 42 | 59.6 Ų | 59.6 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -119.7 | 114.7 | 174.4 | -50.8 | 172 | 0 | 0 | 0 | 109 | L4 F80 G108 K109 | L4-I106 HydrophobicContact CD1-CD1 3.65Å; F80-I106 HydrophobicContact CD1-CD1 3.96Å; F80-I106 HydrophobicContact CD1-CG1 3.78Å; F80-I106 HydrophobicContact CE1-CD1 4.43Å; F80-I106 HydrophobicContact CE1-CG1 3.94Å; F80-I106 VanDerWaalsContact O-CD1 3.27Å; F80-I106 WeakPolarHBondContact O-CD1 3.28Å; I106-G108 PolarHBondContact O-N 3.14Å; I106-K109 HydrophobicContact CB-CB 4.28Å; I106-K109 HydrophobicContact CG2-CB 4.01Å; I106-K109 HydrophobicContact CG2-CD 3.82Å; I106-K109 HydrophobicContact CG2-CG 3.9Å; I106-K109 PolarHBondContact O-N 3.49Å |
| 107 | Q | 89.7 | Confident | 91.6 | Very high | 197 Ų | 197 | 64.7 Ų | 64.7 | 92% | 0.921 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 131.4 | -176.7 | -73.7 | -175.7 | -3.5 | 0 | 0 | 111.4 | K109 | Q107-K109 PolarHBondContact O-N 3.33Š|
| 108 | G | 88.5 | Confident | 91.7 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 96% | 0.959 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -0.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.8 | I106 | I106-G108 PolarHBondContact O-N 3.14Š|
| 109 | K | 90.5 | Very high | 91.5 | Very high | 106 Ų | 106 | 66.8 Ų | 66.8 | 46% | 0.461 | 38% | 0.375 | S | S | . | . | trans | -109.1 | 141.8 | 178.5 | -65 | -161 | -174.3 | -179.3 | 0 | 112.1 | L4 I106 Q107 C111 | L4-K109 HydrophobicContact CD1-CB 4.14Å; L4-K109 HydrophobicContact CD1-CD 4.01Å; L4-K109 HydrophobicContact CD2-CB 4.32Å; L4-K109 HydrophobicContact CD2-CD 4.03Å; I106-K109 HydrophobicContact CB-CB 4.28Å; I106-K109 HydrophobicContact CG2-CB 4.01Å; I106-K109 HydrophobicContact CG2-CD 3.82Å; I106-K109 HydrophobicContact CG2-CG 3.9Å; I106-K109 PolarHBondContact O-N 3.49Å; Q107-K109 PolarHBondContact O-N 3.33Å; K109-C111 PolarHBondContact O-N 3.1Å | ||
| 110 | K | 90.6 | Very high | 90.9 | Very high | 197 Ų | 197 | 68.5 Ų | 68.5 | 86% | 0.857 | 38% | 0.382 | S | S | * | . | trans | -83.4 | 108.2 | 167.1 | -69.2 | -175.8 | 179.2 | -178.8 | 0 | 108.3 | L4 G112 | L4-K110 WeakPolarHBondContact CD2-O 3.31Å; K110-G112 VanDerWaalsContact C-N 3.29Å; K110-G112 PolarHBondContact O-N 3.08Å | ||
| 111 | C | 93.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.007 | 38% | 0.38 | C | S | . | . | trans | -86.3 | 3.2 | -172 | -57.4 | 0 | 0 | 0 | 0 | 114.1 | L4 L81 L103 K109 | L4-C111 HydrophobicContact CD1-CB 4.16Å; L81-C111 VanDerWaalsContact O-CB 3.3Å; L81-C111 WeakPolarHBondContact O-CB 3.37Å; L103-C111 HydrophobicContact CB-CB 3.61Å; L103-C111 WeakPolarHBondContact CD1-O 3.42Å; L103-C111 WeakPolarHBondContact O-CB 3.46Å; K109-C111 PolarHBondContact O-N 3.1Å | ||
| 112 | G | 94.2 | Very high | 88.3 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 13% | 0.134 | 39% | 0.392 | C | S | . | . | trans | 86.8 | -159.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1 N2 L103 K110 | R1-G112 WeakPolarHBondContact O-CA 3.46Å; N2-G112 WeakPolarHBondContact O-CA 3.47Å; L103-G112 PolarHBondContact N-O 3.33Å; K110-G112 VanDerWaalsContact C-N 3.29Å; K110-G112 PolarHBondContact O-N 3.08Å | ||
| 113 | T | 94.6 | Very high | 86.4 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 137.7 | -174.2 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | R1 E100 K101 | R1-T113 PolarHBondContact N-O 3.26Å; R1-T113 PolarHBondContact O-N 2.94Å; E100-T113 HydrophobicContact CG-CG2 3.35Å; K101-T113 CarbonylContact O-C 3.54Å; K101-T113 WeakPolarHBondContact O-CA 3.17Å; K101-T113 WeakPolarHBondContact O-CG2 3.33Å |
| 114 | I | 94.4 | Very high | 84.9 | Confident | 19 Ų | 19 | 72.6 Ų | 72.6 | 10% | 0.097 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.2 | 169.5 | -170.7 | 173.2 | 0 | 0 | 0 | 110.2 | F63 L65 A84 E100 K101 L103 V116 | F63-I114 HydrophobicContact CB-CD1 3.58Å; F63-I114 HydrophobicContact CD1-CD1 3.9Å; F63-I114 HydrophobicContact CD2-CD1 4.33Å; F63-I114 HydrophobicContact CG-CD1 3.68Å; L65-I114 HydrophobicContact CD1-CD1 4.28Å; A84-I114 HydrophobicContact CB-CG2 3.63Å; E100-I114 WeakPolarHBondContact CA-O 3.19Å; K101-I114 HydrophobicContact CB-CG2 4.16Å; K101-I114 PolarHBondContact N-O 2.86Å; K101-I114 WeakPolarHBondContact O-CG2 3.44Å; K101-I114 PolarHBondContact O-N 3.36Å; L103-I114 HydrophobicContact CD2-CB 4.07Å; L103-I114 HydrophobicContact CD2-CG2 4.09Å; L103-I114 HydrophobicContact CG-CB 4.35Å; I114-V116 HydrophobicContact CD1-CG2 3.86Å; I114-V116 HydrophobicContact CG1-CG2 3.9Å |
| 115 | I | 92.3 | Very high | 84 | Confident | 60 Ų | 60 | 74.2 Ų | 74.2 | 31% | 0.308 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.4 | 170.7 | -59.8 | 160.7 | 0 | 0 | 0 | 106.5 | R1 R98 L99 E100 | R1-I115 HydrophobicContact CG-CD1 3.75Å; R98-I115 HydrophobicContact CG-CG2 3.92Å; R98-I115 VanDerWaalsContact NH2-CD1 3.32Å; L99-I115 CarbonylContact O-C 3.38Å; L99-I115 WeakPolarHBondContact O-CA 3.26Å; E100-I115 HydrophobicContact CB-CG1 4.46Å; E100-I115 HydrophobicContact CG-CG1 3.99Å |
| 116 | V | 91.9 | Very high | 83.8 | Confident | 22 Ų | 22 | 74.3 Ų | 74.3 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.3 | 179.2 | -172.9 | 0 | 0 | 0 | 0 | 107.9 | F63 V91 R98 L99 I114 | F63-V116 HydrophobicContact CD2-CG2 4.45Å; F63-V116 HydrophobicContact CE1-CG1 4.44Å; F63-V116 HydrophobicContact CE1-CG2 4.34Å; F63-V116 HydrophobicContact CE2-CG1 4.49Å; F63-V116 HydrophobicContact CE2-CG2 4.06Å; F63-V116 HydrophobicContact CZ-CG1 3.87Å; F63-V116 HydrophobicContact CZ-CG2 3.99Å; V91-V116 HydrophobicContact CG1-CB 4.41Å; V91-V116 HydrophobicContact CG1-CG1 3.92Å; V91-V116 HydrophobicContact CG2-CB 4.38Å; V91-V116 HydrophobicContact CG2-CG1 4.02Å; R98-V116 WeakPolarHBondContact CA-O 3.29Å; L99-V116 PolarHBondContact N-O 2.73Å; L99-V116 PolarHBondContact O-N 2.93Å; I114-V116 HydrophobicContact CD1-CG2 3.86Å; I114-V116 HydrophobicContact CG1-CG2 3.9Å |
| 117 | K | 86.9 | Confident | 83.7 | Confident | 133 Ų | 133 | 72.4 Ų | 72.4 | 58% | 0.578 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.9 | 176.5 | -169.3 | -171.3 | 179.9 | -158 | 0 | 109.6 | S97 E119 | S97-K117 CarbonylContact O-C 3.47Å; S97-K117 WeakPolarHBondContact O-CA 3.37Å; K117-E119 WeakPolarHBondContact CE-OE1 3.18Å; K117-E119 IonicContact NZ-OE1 3.27Å; K117-E119 PolarHBondContact NZ-OE1 3.21Å |
| 118 | A | 87.1 | Confident | 83.7 | Confident | 21 Ų | 21 | 63 Ų | 63 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | trans | -103.7 | 136.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V91 V92 S97 | V91-A118 HydrophobicContact CG1-CB 3.71Å; V92-A118 HydrophobicContact CG1-CB 3.88Å; S97-A118 WeakPolarHBondContact CB-O 3.32Å; S97-A118 PolarHBondContact O-N 3.3Å | ||
| 119 | E | 81.5 | Confident | 84 | Confident | 99 Ų | 99 | 62.2 Ų | 62.2 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | trans | -126.4 | 132.4 | 173.1 | -69.3 | 176.5 | 171 | 0 | 0 | 107.4 | K48 K117 | K48-E119 IonicContact NZ-OE2 3.75Å; K48-E119 PolarHBondContact NZ-OE2 3.07Å; K117-E119 WeakPolarHBondContact CE-OE1 3.18Å; K117-E119 IonicContact NZ-OE1 3.27Å; K117-E119 PolarHBondContact NZ-OE1 3.21Å | ||
| 120 | E | 77.9 | Confident | 84.2 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | trans | -80.1 | 125.1 | -179.7 | -169.8 | -170.7 | 120.5 | 0 | 0 | 109 | N122 R125 T265 K271 | E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 3.17Å; E120-N122 VanDerWaalsContact O-N 3.14Å; E120-N122 PolarHBondContact OE1-ND2 3.44Å; E120-R125 IonicContact OE1-CZ 3.81Å; E120-R125 IonicContact OE1-NE 3.36Å; E120-R125 PolarHBondContact OE1-NE 3.02Å; E120-R125 IonicContact OE1-NH2 3.7Å; E120-R125 PolarHBondContact OE1-NH2 3Å; E120-R125 IonicContact OE2-CZ 3.38Å; E120-R125 IonicContact OE2-NH2 2.69Å; E120-R125 PolarHBondContact OE2-NH2 2.91Å; E120-T265 WeakPolarHBondContact OE1-CG2 3.45Å; E120-T265 PolarHBondContact OE2-OG1 3.37Å; E120-K271 IonicContact OE2-NZ 3.63Å | ||
| 121 | L | 70.9 | Confident | 84.5 | Confident | 83 Ų | 83 | 50.4 Ų | 50.4 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | trans | -91.6 | 68.9 | -173.5 | -65.8 | 147.5 | 0 | 0 | 0 | 109.5 | M50 | M50-L121 HydrophobicContact CE-CB 4.35Å; M50-L121 HydrophobicContact CE-CD1 3.3Å; M50-L121 HydrophobicContact CE-CD2 3.85Å; M50-L121 HydrophobicContact CE-CG 3.99Å; M50-L121 HydrophobicContact SD-CD1 3.3Å; M50-L121 WeakPolarHBondContact SD-CD1 3.31Å; M50-L121 HydrophobicContact SD-CD2 3.98Å; M50-L121 HydrophobicContact SD-CG 4.22Å | ||
| 122 | N | 62.3 | Low | 84.7 | Confident | 89 Ų | 89 | 50.4 Ų | 50.4 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | trans | -103.6 | 102.7 | 175.3 | -100.2 | -22.3 | 0 | 0 | 0 | 109.9 | E120 C124 R125 | E120-N122 VanDerWaalsContact C-N 3.32Å; E120-N122 PolarHBondContact O-N 3.17Å; E120-N122 VanDerWaalsContact O-N 3.14Å; E120-N122 PolarHBondContact OE1-ND2 3.44Å; N122-C124 PolarHBondContact O-N 3.06Å; N122-R125 HydrophobicContact CB-CG 3.86Å | ||
| 123 | N | 56.7 | Low | 84.8 | Confident | 145 Ų | 145 | 50.7 Ų | 50.7 | 78% | 0.775 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -68.2 | -3.6 | -170.5 | -77.2 | -2.3 | 0 | 0 | 0 | 115.3 | ||
| 124 | C | 64.9 | Low | 85 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | trans | -171.5 | 108.5 | 162.4 | -167.9 | 0 | 0 | 0 | 0 | 108.7 | N122 V185 | N122-C124 PolarHBondContact O-N 3.06Å; C124-V185 VanDerWaalsContact SG-CB 3.58Å | ||
| 125 | R | 74.2 | Confident | 85.1 | Confident | 62 Ų | 62 | 50.8 Ų | 50.8 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | trans | -84.5 | 0.9 | 174.7 | -67.8 | -175.7 | 175.4 | 178.1 | -9.9 | 113 | E120 N122 V262 E263 D268 | E120-R125 IonicContact OE1-CZ 3.81Å; E120-R125 IonicContact OE1-NE 3.36Å; E120-R125 PolarHBondContact OE1-NE 3.02Å; E120-R125 IonicContact OE1-NH2 3.7Å; E120-R125 PolarHBondContact OE1-NH2 3Å; E120-R125 IonicContact OE2-CZ 3.38Å; E120-R125 IonicContact OE2-NH2 2.69Å; E120-R125 PolarHBondContact OE2-NH2 2.91Å; N122-R125 HydrophobicContact CB-CG 3.86Å; R125-V262 HydrophobicContact CB-CG1 3.98Å; R125-E263 WeakPolarHBondContact O-CB 3.46Å; R125-E263 PolarHBondContact O-N 3.18Å; R125-D268 IonicContact CZ-OD1 3.7Å; R125-D268 IonicContact CZ-OD2 3.14Å; R125-D268 IonicContact NH1-OD1 2.73Å; R125-D268 PolarHBondContact NH1-OD1 2.77Å; R125-D268 IonicContact NH1-OD2 2.81Å; R125-D268 PolarHBondContact NH1-OD2 3.49Å; R125-D268 IonicContact NH2-OD1 3.36Å; R125-D268 PolarHBondContact NH2-OD1 2.95Å; R125-D268 IonicContact NH2-OD2 3.14Å | ||
| 126 | E | 84.8 | Confident | 85.2 | Confident | 57 Ų | 57 | 55.7 Ų | 55.7 | 27% | 0.266 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 135.6 | -177.5 | -63.5 | 178.8 | 178.9 | 0 | 0 | 109.9 | V185 Y193 Y220 V260 | E126-V185 HydrophobicContact CB-CB 4.14Å; E126-V185 HydrophobicContact CB-CG2 3.58Å; E126-V185 WeakPolarHBondContact O-CB 3.19Å; E126-V185 VanDerWaalsContact O-CG2 3.3Å; E126-V185 WeakPolarHBondContact O-CG2 3.41Å; E126-V185 PolarHBondContact O-N 3.14Å; E126-Y193 PolarHBondContact OE2-OH 3.15Å; E126-Y220 PolarHBondContact OE2-OH 2.98Å; E126-V260 HydrophobicContact CB-CG1 4.15Å; E126-V260 HydrophobicContact CG-CG1 4Å |
| 127 | S | 89 | Confident | 85.3 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 151.5 | 161.3 | -71.8 | 0 | 0 | 0 | 0 | 108.1 | K182 I183 D261 | S127-K182 WeakPolarHBondContact OG-CE 3.46Å; S127-I183 CarbonylContact C-O 3.56Å; S127-I183 WeakPolarHBondContact CA-O 3.2Å; S127-D261 PolarHBondContact N-O 3.16Å; S127-D261 PolarHBondContact O-N 3.24Å; S127-D261 VanDerWaalsContact O-O 3.05Å |
| 128 | V | 91.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.8 | 175.2 | -66.4 | 0 | 0 | 0 | 0 | 109.9 | M130 K182 I183 V185 L188 Y220 F258 L259 V260 | V128-M130 HydrophobicContact CB-CG 4.18Å; V128-M130 HydrophobicContact CB-SD 4.49Å; V128-M130 HydrophobicContact CG2-CE 3.78Å; V128-M130 HydrophobicContact CG2-CG 4.11Å; V128-M130 HydrophobicContact CG2-SD 3.96Å; V128-K182 CarbonylContact O-C 3.54Å; V128-K182 VanDerWaalsContact O-CA 3.32Å; V128-K182 WeakPolarHBondContact O-CA 3.36Å; V128-I183 HydrophobicContact CG2-CB 4.46Å; V128-I183 PolarHBondContact N-O 3.39Å; V128-I183 PolarHBondContact O-N 3.45Å; V128-V185 HydrophobicContact CG1-CG2 3.98Å; V128-L188 HydrophobicContact CG2-CD2 3.73Å; V128-Y220 HydrophobicContact CG1-CD2 4.22Å; V128-Y220 HydrophobicContact CG1-CE2 3.42Å; V128-Y220 VanDerWaalsContact CG1-CE2 3.42Å; V128-F258 HydrophobicContact CB-CE2 4.02Å; V128-F258 HydrophobicContact CB-CZ 4.07Å; V128-F258 HydrophobicContact CG1-CE1 3.95Å; V128-F258 HydrophobicContact CG1-CE2 3.82Å; V128-F258 HydrophobicContact CG1-CZ 3.38Å; V128-F258 HydrophobicContact CG2-CE2 4.41Å; V128-L259 WeakPolarHBondContact CA-O 3.4Å; V128-V260 HydrophobicContact CG1-CG2 4.49Å |
| 129 | M | 93.3 | Very high | 85.5 | Confident | 76 Ų | 76 | 54.1 Ų | 54.1 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.1 | 165.6 | -174.3 | 175.7 | -68 | 0 | 0 | 108.5 | A180 F181 L259 | M129-A180 HydrophobicContact CG-CB 4.39Å; M129-F181 CarbonylContact C-O 3.52Å; M129-F181 VanDerWaalsContact CA-O 3.31Å; M129-F181 WeakPolarHBondContact CA-O 3.24Å; M129-L259 HydrophobicContact CB-CB 4.27Å; M129-L259 PolarHBondContact N-O 2.83Å; M129-L259 PolarHBondContact O-N 3.17Å |
| 130 | M | 95.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.7 | -176.8 | -60.7 | -176.3 | -64.7 | 0 | 0 | 111 | V128 F132 A180 F181 I183 L188 L223 L255 S257 F258 | V128-M130 HydrophobicContact CB-CG 4.18Å; V128-M130 HydrophobicContact CB-SD 4.49Å; V128-M130 HydrophobicContact CG2-CE 3.78Å; V128-M130 HydrophobicContact CG2-CG 4.11Å; V128-M130 HydrophobicContact CG2-SD 3.96Å; M130-F132 HydrophobicContact CB-CD2 4.31Å; M130-F132 HydrophobicContact CB-CE2 3.75Å; M130-F132 HydrophobicContact CE-CE2 4.27Å; M130-F132 HydrophobicContact SD-CE2 4.12Å; M130-F132 HydrophobicContact SD-CZ 4.31Å; M130-A180 CarbonylContact O-C 3.6Å; M130-A180 VanDerWaalsContact O-CA 3.3Å; M130-A180 WeakPolarHBondContact O-CA 3.47Å; M130-F181 HydrophobicContact CB-CE2 4.21Å; M130-F181 HydrophobicContact CB-CZ 4.16Å; M130-F181 HydrophobicContact CE-CE2 3.69Å; M130-F181 HydrophobicContact CE-CZ 4.13Å; M130-F181 PolarHBondContact N-O 2.56Å; M130-F181 PolarHBondContact O-N 2.95Å; M130-I183 HydrophobicContact CE-CD1 4.06Å; M130-L188 HydrophobicContact CE-CD2 4.24Å; M130-L223 HydrophobicContact SD-CD1 4.02Å; M130-L255 HydrophobicContact CB-CD1 4.11Å; M130-L255 HydrophobicContact CG-CD1 4.3Å; M130-L255 HydrophobicContact SD-CD1 4.42Å; M130-S257 VanDerWaalsContact CA-O 3.26Å; M130-S257 WeakPolarHBondContact CA-O 3.48Å; M130-F258 HydrophobicContact CG-CD2 3.67Å; M130-F258 HydrophobicContact CG-CE2 4.1Å; M130-F258 HydrophobicContact SD-CD2 3.67Å; M130-F258 HydrophobicContact SD-CE2 3.69Å |
| 131 | Q | 96.9 | Very high | 86 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.5 | 169.6 | -168.6 | 176.6 | 26.1 | 0 | 0 | 108.6 | W178 A180 L256 S257 | Q131-W178 VanDerWaalsContact CG-O 3.31Å; Q131-W178 WeakPolarHBondContact CG-O 3.25Å; Q131-W178 PolarHBondContact NE2-O 2.69Å; Q131-W178 VanDerWaalsContact NE2-O 3.1Å; Q131-A180 HydrophobicContact CB-CB 4.16Å; Q131-A180 HydrophobicContact CG-CB 4.46Å; Q131-L256 HydrophobicContact CB-CB 4.16Å; Q131-L256 HydrophobicContact CG-CB 4.29Å; Q131-L256 HydrophobicContact CG-CD1 4.33Å; Q131-L256 WeakPolarHBondContact O-CA 3.3Å; Q131-L256 WeakPolarHBondContact O-CB 3.3Å; Q131-L256 PolarHBondContact O-N 3.12Å; Q131-S257 VanDerWaalsContact CB-OG 3.28Å; Q131-S257 WeakPolarHBondContact CB-OG 3.45Å; Q131-S257 PolarHBondContact N-O 3.29Å; Q131-S257 PolarHBondContact N-OG 3.03Å; Q131-S257 PolarHBondContact O-N 3.05Å |
| 132 | F | 97.7 | Very high | 86.3 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 156.2 | 179.6 | -71.7 | -94.5 | 0 | 0 | 0 | 111 | M130 L150 F152 W178 F181 L223 Y233 V253 T254 L255 | M130-F132 HydrophobicContact CB-CD2 4.31Å; M130-F132 HydrophobicContact CB-CE2 3.75Å; M130-F132 HydrophobicContact CE-CE2 4.27Å; M130-F132 HydrophobicContact SD-CE2 4.12Å; M130-F132 HydrophobicContact SD-CZ 4.31Å; F132-L150 HydrophobicContact CB-CD1 3.98Å; F132-L150 HydrophobicContact CG-CD1 4.24Å; F132-F152 AromaticContact CD2-CZ 3.96Å; F132-F152 HydrophobicContact CD2-CZ 3.96Å; F132-F152 AromaticContact CE2-CE1 3.93Å; F132-F152 HydrophobicContact CE2-CE1 3.93Å; F132-F152 AromaticContact CE2-CZ 3.57Å; F132-F152 HydrophobicContact CE2-CZ 3.57Å; F132-F152 AromaticContact CZ-CE1 3.99Å; F132-F152 HydrophobicContact CZ-CE1 3.99Å; F132-F152 AromaticContact CZ-CZ 3.97Å; F132-F152 HydrophobicContact CZ-CZ 3.97Å; F132-W178 HydrophobicContact CB-CE3 3.87Å; F132-W178 HydrophobicContact CB-CZ3 4.28Å; F132-W178 PolarHBondContact O-N 2.76Å; F132-W178 VanDerWaalsContact O-N 3.09Å; F132-F181 AromaticContact CD2-CE1 3.89Å; F132-F181 HydrophobicContact CD2-CE1 3.89Å; F132-F181 AromaticContact CD2-CZ 3.81Å; F132-F181 HydrophobicContact CD2-CZ 3.81Å; F132-F181 HydrophobicContact CE2-CE1 4.34Å; F132-F181 AromaticContact CE2-CZ 3.79Å; F132-F181 HydrophobicContact CE2-CZ 3.79Å; F132-L223 HydrophobicContact CE1-CD2 4.38Å; F132-L223 HydrophobicContact CZ-CD2 3.97Å; F132-Y233 HydrophobicContact CE1-CE2 4.42Å; F132-V253 HydrophobicContact CB-CG1 4.31Å; F132-V253 HydrophobicContact CD1-CG1 3.68Å; F132-V253 HydrophobicContact CE1-CG1 4.44Å; F132-V253 HydrophobicContact CG-CG1 4.38Å; F132-T254 CarbonylContact C-O 3.5Å; F132-T254 VanDerWaalsContact CA-O 3.27Å; F132-T254 WeakPolarHBondContact CA-O 3.44Å; F132-L255 HydrophobicContact CD1-CB 4.24Å; F132-L255 HydrophobicContact CD1-CD1 4.16Å; F132-L255 HydrophobicContact CD2-CD1 4.19Å; F132-L255 HydrophobicContact CE1-CB 3.91Å; F132-L255 HydrophobicContact CE1-CD1 3.64Å; F132-L255 HydrophobicContact CE1-CG 4.37Å; F132-L255 HydrophobicContact CE2-CD1 3.65Å; F132-L255 HydrophobicContact CG-CD1 4.43Å; F132-L255 HydrophobicContact CZ-CD1 3.38Å; F132-L255 HydrophobicContact CZ-CG 4.48Å |
| 133 | C | 97.6 | Very high | 87.1 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 12% | 0.122 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.6 | 162.8 | 68.7 | 0 | 0 | 0 | 0 | 111.5 | P176 V177 V253 T254 L256 | C133-P176 CarbonylContact C-O 3.57Å; C133-P176 WeakPolarHBondContact CA-O 2.91Å; C133-P176 VanDerWaalsContact CB-O 3.26Å; C133-P176 WeakPolarHBondContact CB-O 3.45Å; C133-V177 HydrophobicContact CB-CG2 4.01Å; C133-V253 CarbonylContact O-C 3.48Å; C133-V253 WeakPolarHBondContact O-CA 3.28Å; C133-T254 PolarHBondContact N-O 3.39Å; C133-T254 PolarHBondContact O-N 3.33Å; C133-L256 HydrophobicContact CB-CD1 3.77Å; C133-L256 HydrophobicContact CB-CG 4.13Å |
| 134 | G | 97.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 153.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N175 P176 W178 T252 | G134-N175 CarbonylContact O-C 3.55Å; G134-N175 WeakPolarHBondContact O-CA 3.43Å; G134-P176 PolarHBondContact N-O 3.5Å; G134-W178 VanDerWaalsContact N-CZ3 3.34Å; G134-T252 CarbonylContact C-O 3.55Å; G134-T252 WeakPolarHBondContact CA-O 3.31Å |
| 135 | T | 96.1 | Very high | 89.6 | Confident | 54 Ų | 54 | 59.9 Ų | 59.9 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 128.8 | 173.7 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | L137 N175 G251 T252 | T135-L137 PolarHBondContact O-N 3.22Å; T135-N175 WeakPolarHBondContact CA-OD1 3.46Å; T135-G251 VanDerWaalsContact O-CA 3.29Å; T135-G251 WeakPolarHBondContact O-CA 3.32Å; T135-T252 PolarHBondContact N-O 3.45Å; T135-T252 PolarHBondContact O-N 2.8Å |
| 136 | K | 94.8 | Very high | 90.5 | Very high | 164 Ų | 164 | 57 Ų | 57 | 71% | 0.713 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 50.2 | 43.1 | 179.1 | -61.8 | 175 | -178.8 | 174.6 | 0 | 113 | L174 N175 G251 | K136-L174 PolarHBondContact N-O 3.14Å; K136-N175 PolarHBondContact N-OD1 2.85Å; K136-G251 WeakPolarHBondContact O-CA 3.08Å |
| 137 | L | 94.3 | Very high | 91 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 153 | 174 | -61.9 | -179.8 | 0 | 0 | 0 | 111 | T135 K139 P148 L174 P176 W178 V201 V235 S250 | T135-L137 PolarHBondContact O-N 3.22Å; L137-K139 PolarHBondContact O-N 2.9Å; L137-P148 HydrophobicContact CD1-CB 3.75Å; L137-P148 HydrophobicContact CD1-CG 4.05Å; L137-L174 PolarHBondContact N-O 3.23Å; L137-L174 WeakPolarHBondContact O-CB 3.17Å; L137-L174 WeakPolarHBondContact O-CD1 3.48Å; L137-L174 WeakPolarHBondContact O-CD2 3.49Å; L137-P176 HydrophobicContact CD1-CG 3.73Å; L137-W178 HydrophobicContact CD1-CH2 4.28Å; L137-V201 HydrophobicContact CD1-CG1 4.07Å; L137-V201 HydrophobicContact CD2-CG1 4.48Å; L137-V235 HydrophobicContact CD2-CG2 4.14Å; L137-S250 WeakPolarHBondContact CA-O 3.27Å |
| 138 | D | 90.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 55.3 Ų | 55.3 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -67 | 134.6 | 178 | -83.5 | -23.2 | 0 | 0 | 0 | 111.9 | S146 I213 K240 S250 | D138-S146 PolarHBondContact O-OG 3.31Å; D138-I213 HydrophobicContact CB-CG2 4.27Å; D138-K240 IonicContact OD2-NZ 2.87Å; D138-K240 PolarHBondContact OD2-NZ 3.44Å; D138-S250 PolarHBondContact N-O 2.69Å; D138-S250 VanDerWaalsContact OD2-CB 3.29Å; D138-S250 WeakPolarHBondContact OD2-CB 3.26Å; D138-S250 PolarHBondContact OD2-OG 3.47Å |
| 139 | K | 89.3 | Confident | 91.6 | Very high | 106 Ų | 106 | 56 Ų | 56 | 46% | 0.461 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 124.5 | 168.7 | -170.1 | -164.1 | -171.1 | -127.7 | 0 | 110 | L137 D141 F142 G144 S146 L174 | L137-K139 PolarHBondContact O-N 2.9Å; K139-D141 WeakPolarHBondContact CE-O 3.46Å; K139-D141 PolarHBondContact NZ-O 2.83Å; K139-F142 PolarHBondContact NZ-O 3.16Å; K139-F142 VanDerWaalsContact NZ-O 3.09Å; K139-G144 WeakPolarHBondContact CE-O 3.39Å; K139-G144 PolarHBondContact NZ-O 3.26Å; K139-S146 VanDerWaalsContact CA-OG 3.28Å; K139-S146 WeakPolarHBondContact CA-OG 3.48Å; K139-L174 HydrophobicContact CB-CD1 4.43Å; K139-L174 HydrophobicContact CB-CD2 4.21Å |
| 140 | K | 87.4 | Confident | 91.8 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 22% | 0.217 | 25% | 0.251 | C | S | . | . | trans | -108.3 | -36.2 | 171.4 | -50.7 | -63.7 | -159.8 | 119.2 | 0 | 112.7 | S146 D203 D211 F212 I213 | K140-S146 PolarHBondContact N-OG 3.49Å; K140-S146 VanDerWaalsContact N-OG 3.16Å; K140-D203 HydrophobicContact CB-CB 4.09Å; K140-D203 VanDerWaalsContact CB-OD2 3.25Å; K140-D203 WeakPolarHBondContact CB-OD2 3.32Å; K140-D203 HydrophobicContact CG-CB 4.01Å; K140-D211 HydrophobicContact CB-CB 3.9Å; K140-D211 WeakPolarHBondContact CB-OD2 2.97Å; K140-D211 HydrophobicContact CG-CB 3.99Å; K140-F212 VanDerWaalsContact CE-O 3.31Å; K140-F212 WeakPolarHBondContact CE-O 3.23Å; K140-F212 PolarHBondContact NZ-O 2.97Å; K140-I213 HydrophobicContact CG-CG1 4.02Å | ||
| 141 | D | 82.4 | Confident | 91.9 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | trans | -60.4 | 138.4 | 175.2 | -77.6 | -39.6 | 0 | 0 | 0 | 115.8 | K139 | K139-D141 WeakPolarHBondContact CE-O 3.46Å; K139-D141 PolarHBondContact NZ-O 2.83Å | ||
| 142 | F | 77.1 | Confident | 92 | Very high | 194 Ų | 194 | 49.9 Ų | 49.9 | 85% | 0.851 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -69.4 | -45.4 | 171.7 | -79.4 | -88.3 | 0 | 0 | 0 | 111.8 | K139 | K139-F142 PolarHBondContact NZ-O 3.16Å; K139-F142 VanDerWaalsContact NZ-O 3.09Å |
| 143 | F | 78.8 | Confident | 91.9 | Very high | 208 Ų | 208 | 51.4 Ų | 51.4 | 91% | 0.912 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -118.6 | 84.5 | -178 | -69.9 | -79.8 | 0 | 0 | 0 | 112 | ||
| 144 | G | 84.4 | Confident | 91.7 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 34% | 0.34 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 144.6 | -169.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | K139 | K139-G144 WeakPolarHBondContact CE-O 3.39Å; K139-G144 PolarHBondContact NZ-O 3.26Å |
| 145 | K | 90.4 | Very high | 91.3 | Very high | 98 Ų | 98 | 53.7 Ų | 53.7 | 43% | 0.426 | 25% | 0.254 | S | S | . | . | trans | -104.5 | 166 | 155.2 | -63.6 | 168.5 | -178 | 171.6 | 0 | 106.8 | N172 L174 | K145-N172 WeakPolarHBondContact CB-OD1 3.42Å; K145-N172 PolarHBondContact N-OD1 3.33Å; K145-L174 HydrophobicContact CB-CD2 3.96Å; K145-L174 HydrophobicContact CB-CG 4.12Å; K145-L174 HydrophobicContact CD-CG 4.21Å; K145-L174 HydrophobicContact CG-CD2 4.47Å; K145-L174 HydrophobicContact CG-CG 4.16Å | ||
| 146 | S | 92.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -54.4 | 157.1 | 174.8 | -43.3 | 0 | 0 | 0 | 0 | 112.9 | D138 K139 K140 P148 N172 T173 D203 | D138-S146 PolarHBondContact O-OG 3.31Å; K139-S146 VanDerWaalsContact CA-OG 3.28Å; K139-S146 WeakPolarHBondContact CA-OG 3.48Å; K140-S146 PolarHBondContact N-OG 3.49Å; K140-S146 VanDerWaalsContact N-OG 3.16Å; S146-P148 WeakPolarHBondContact O-CD 3.37Å; S146-N172 CarbonylContact O-C 3.58Å; S146-N172 WeakPolarHBondContact O-CA 3.22Å; S146-N172 PolarHBondContact O-N 2.72Å; S146-T173 PolarHBondContact O-N 3.34Å; S146-D203 WeakPolarHBondContact CA-OD1 3.43Å; S146-D203 VanDerWaalsContact CA-OD2 3.27Å; S146-D203 WeakPolarHBondContact CA-OD2 3.33Å; S146-D203 VanDerWaalsContact CB-CG 3.44Å; S146-D203 WeakPolarHBondContact CB-OD1 3.03Å; S146-D203 WeakPolarHBondContact CB-OD2 3.39Å; S146-D203 PolarHBondContact OG-OD2 3.39Å | ||
| 147 | D | 94.2 | Very high | 89.8 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | trans | -106.1 | 67.7 | 170.4 | -70.1 | -13.7 | 0 | 0 | 0 | 110.3 | V169 V170 K171 N172 D203 W204 | D147-V169 HydrophobicContact CB-CG1 3.77Å; D147-V170 CarbonylContact C-O 3.46Å; D147-V170 WeakPolarHBondContact CA-O 3.18Å; D147-K171 WeakPolarHBondContact OD1-CA 3.3Å; D147-K171 WeakPolarHBondContact OD1-CB 3.39Å; D147-N172 PolarHBondContact OD1-N 3.35Å; D147-D203 WeakPolarHBondContact CA-OD1 3.3Å; D147-D203 PolarHBondContact N-OD1 2.96Å; D147-W204 HydrophobicContact CB-CB 4Å; D147-W204 WeakPolarHBondContact O-CB 3.21Å; D147-W204 PolarHBondContact O-N 2.76Å; D147-W204 VanDerWaalsContact O-N 3.08Å | ||
| 148 | P | 96.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 143 | -166.6 | 29 | -40 | 0 | 0 | 0 | 115.5 | L137 S146 V170 T173 P176 W178 Y202 I213 | L137-P148 HydrophobicContact CD1-CB 3.75Å; L137-P148 HydrophobicContact CD1-CG 4.05Å; S146-P148 WeakPolarHBondContact O-CD 3.37Å; P148-V170 WeakPolarHBondContact CD-O 3.3Å; P148-V170 PolarHBondContact O-N 3.21Å; P148-T173 VanDerWaalsContact CD-O 3.24Å; P148-T173 WeakPolarHBondContact CD-O 3.32Å; P148-T173 HydrophobicContact CG-CG2 4.19Å; P148-T173 WeakPolarHBondContact CG-O 3.48Å; P148-P176 HydrophobicContact CB-CG 4.18Å; P148-P176 HydrophobicContact CG-CB 3.8Å; P148-P176 HydrophobicContact CG-CG 3.54Å; P148-W178 HydrophobicContact CB-CZ2 4.14Å; P148-W178 PolarHBondContact O-NE1 3.18Å; P148-W178 VanDerWaalsContact O-NE1 3.1Å; P148-Y202 CarbonylContact C-O 3.53Å; P148-Y202 WeakPolarHBondContact CA-O 3.46Å; P148-I213 HydrophobicContact CB-CD1 4.32Å |
| 149 | F | 97.5 | Very high | 88.6 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 159.3 | 168 | 70.1 | -80.6 | 0 | 0 | 0 | 111.9 | V151 E168 V169 Y202 W204 H210 | F149-V151 HydrophobicContact CD2-CG2 3.94Å; F149-V151 HydrophobicContact CE2-CG2 3.52Å; F149-E168 WeakPolarHBondContact CB-O 3.44Å; F149-V169 HydrophobicContact CB-CG2 4.15Å; F149-V169 HydrophobicContact CD1-CG2 4.08Å; F149-V169 HydrophobicContact CG-CG2 4.26Å; F149-Y202 HydrophobicContact CE1-CG 4.35Å; F149-Y202 HydrophobicContact CE2-CD2 4.26Å; F149-Y202 HydrophobicContact CE2-CG 4.42Å; F149-Y202 HydrophobicContact CZ-CD2 4.22Å; F149-Y202 AromaticContact CZ-CG 3.94Å; F149-Y202 HydrophobicContact CZ-CG 3.94Å; F149-Y202 PolarHBondContact N-O 2.82Å; F149-Y202 PolarHBondContact O-N 3.47Å; F149-W204 HydrophobicContact CD1-CB 4.05Å; F149-W204 HydrophobicContact CE1-CB 4.04Å; F149-H210 HydrophobicContact CE1-CB 4.28Å; F149-H210 HydrophobicContact CZ-CB 4.23Å; F149-H210 AromaticContact CZ-CD2 3.66Å |
| 150 | L | 98.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 144.4 | 178.4 | -57.3 | 179.3 | 0 | 0 | 0 | 111.4 | F132 F152 K166 T167 W178 V199 E200 V201 V253 | F132-L150 HydrophobicContact CB-CD1 3.98Å; F132-L150 HydrophobicContact CG-CD1 4.24Å; L150-F152 HydrophobicContact CB-CD2 4.38Å; L150-F152 HydrophobicContact CB-CE2 3.8Å; L150-F152 HydrophobicContact CD1-CE2 4Å; L150-F152 HydrophobicContact CD1-CZ 4.08Å; L150-K166 WeakPolarHBondContact O-CA 3.43Å; L150-T167 HydrophobicContact CB-CG2 3.86Å; L150-T167 HydrophobicContact CD1-CG2 4.31Å; L150-T167 HydrophobicContact CG-CG2 4.34Å; L150-T167 PolarHBondContact N-OG1 3.36Å; L150-T167 PolarHBondContact O-N 3.17Å; L150-T167 VanDerWaalsContact O-N 3.08Å; L150-W178 HydrophobicContact CD1-CD2 4.12Å; L150-W178 HydrophobicContact CD1-CE3 3.72Å; L150-W178 HydrophobicContact CD1-CH2 4.08Å; L150-W178 HydrophobicContact CD1-CZ2 4.44Å; L150-W178 HydrophobicContact CD1-CZ3 3.7Å; L150-W178 HydrophobicContact CD2-CH2 3.57Å; L150-W178 HydrophobicContact CD2-CZ2 3.87Å; L150-W178 HydrophobicContact CD2-CZ3 4.04Å; L150-W178 HydrophobicContact CG-CD2 4.11Å; L150-W178 HydrophobicContact CG-CE3 4.08Å; L150-W178 HydrophobicContact CG-CH2 3.74Å; L150-W178 HydrophobicContact CG-CZ2 3.76Å; L150-W178 HydrophobicContact CG-CZ3 3.91Å; L150-V199 HydrophobicContact CB-CG1 4.25Å; L150-V199 HydrophobicContact CD1-CG1 4.5Å; L150-V199 HydrophobicContact CD2-CG1 4.17Å; L150-E200 CarbonylContact C-O 3.56Å; L150-E200 WeakPolarHBondContact CA-O 3.25Å; L150-V201 HydrophobicContact CD2-CB 4.27Å; L150-V201 HydrophobicContact CD2-CG1 4.16Å; L150-V201 HydrophobicContact CD2-CG2 3.68Å; L150-V253 HydrophobicContact CD1-CG1 4.45Å; L150-V253 HydrophobicContact CD2-CG2 4.31Å |
| 151 | V | 97.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.1 | 169.1 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | F149 Y153 I163 K166 V199 E200 Y202 | F149-V151 HydrophobicContact CD2-CG2 3.94Å; F149-V151 HydrophobicContact CE2-CG2 3.52Å; V151-Y153 HydrophobicContact CB-CE2 3.73Å; V151-Y153 HydrophobicContact CG1-CD2 4.1Å; V151-Y153 HydrophobicContact CG1-CE1 4.27Å; V151-Y153 HydrophobicContact CG1-CE2 3.37Å; V151-Y153 VanDerWaalsContact CG1-CZ 3.48Å; V151-Y153 WeakPolarHBondContact O-CD2 3.49Å; V151-I163 HydrophobicContact CG1-CD1 4.31Å; V151-I163 HydrophobicContact CG1-CG1 4.1Å; V151-I163 HydrophobicContact CG1-CG2 4.05Å; V151-K166 HydrophobicContact CG1-CG 4.05Å; V151-K166 HydrophobicContact CG2-CD 4.41Å; V151-K166 HydrophobicContact CG2-CG 4.15Å; V151-V199 WeakPolarHBondContact O-CA 3.42Å; V151-E200 PolarHBondContact N-O 2.72Å; V151-E200 PolarHBondContact O-N 2.86Å; V151-Y202 HydrophobicContact CB-CE2 4.46Å; V151-Y202 HydrophobicContact CG2-CD2 3.82Å; V151-Y202 HydrophobicContact CG2-CE2 4Å |
| 152 | F | 97.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135 | 178.2 | -69.3 | -103.9 | 0 | 0 | 0 | 110 | F132 L150 I163 C164 H165 T167 F181 I197 V199 | F132-F152 AromaticContact CD2-CZ 3.96Å; F132-F152 HydrophobicContact CD2-CZ 3.96Å; F132-F152 AromaticContact CE2-CE1 3.93Å; F132-F152 HydrophobicContact CE2-CE1 3.93Å; F132-F152 AromaticContact CE2-CZ 3.57Å; F132-F152 HydrophobicContact CE2-CZ 3.57Å; F132-F152 AromaticContact CZ-CE1 3.99Å; F132-F152 HydrophobicContact CZ-CE1 3.99Å; F132-F152 AromaticContact CZ-CZ 3.97Å; F132-F152 HydrophobicContact CZ-CZ 3.97Å; L150-F152 HydrophobicContact CB-CD2 4.38Å; L150-F152 HydrophobicContact CB-CE2 3.8Å; L150-F152 HydrophobicContact CD1-CE2 4Å; L150-F152 HydrophobicContact CD1-CZ 4.08Å; F152-I163 CarbonylContact O-C 3.57Å; F152-I163 WeakPolarHBondContact O-CA 3.49Å; F152-C164 VanDerWaalsContact C-SG 3.56Å; F152-C164 WeakPolarHBondContact CB-SG 3.21Å; F152-C164 PolarHBondContact O-N 2.91Å; F152-C164 PolarHBondContact O-SG 3.16Å; F152-C164 VanDerWaalsContact O-SG 3.38Å; F152-H165 HydrophobicContact CB-CB 4.23Å; F152-H165 HydrophobicContact CD2-CB 4.33Å; F152-H165 PolarHBondContact N-O 3.04Å; F152-T167 HydrophobicContact CE2-CG2 4.31Å; F152-F181 HydrophobicContact CD2-CZ 4.39Å; F152-F181 HydrophobicContact CE1-CZ 4.36Å; F152-F181 HydrophobicContact CE2-CE1 4.21Å; F152-F181 HydrophobicContact CE2-CE2 4.3Å; F152-F181 AromaticContact CE2-CZ 3.58Å; F152-F181 HydrophobicContact CE2-CZ 3.58Å; F152-F181 HydrophobicContact CZ-CE1 4.39Å; F152-F181 HydrophobicContact CZ-CE2 4.4Å; F152-F181 AromaticContact CZ-CZ 3.58Å; F152-F181 HydrophobicContact CZ-CZ 3.58Å; F152-I197 HydrophobicContact CD1-CG2 4.23Å; F152-V199 HydrophobicContact CD1-CG1 4.43Å; F152-V199 HydrophobicContact CD1-CG2 3.56Å; F152-V199 HydrophobicContact CE1-CG1 4.2Å; F152-V199 HydrophobicContact CE1-CG2 3.57Å; F152-V199 HydrophobicContact CE2-CG1 4.32Å; F152-V199 HydrophobicContact CG-CG2 4.3Å; F152-V199 HydrophobicContact CZ-CG1 4.12Å; F152-V199 HydrophobicContact CZ-CG2 4.31Å |
| 153 | Y | 95.6 | Very high | 89.4 | Confident | 33 Ų | 33 | 55.1 Ų | 55.1 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 138.1 | 177.5 | -59.6 | -99.8 | 0 | 0 | 0 | 111 | V151 F161 T162 I163 I197 K198 E200 | V151-Y153 HydrophobicContact CB-CE2 3.73Å; V151-Y153 HydrophobicContact CG1-CD2 4.1Å; V151-Y153 HydrophobicContact CG1-CE1 4.27Å; V151-Y153 HydrophobicContact CG1-CE2 3.37Å; V151-Y153 VanDerWaalsContact CG1-CZ 3.48Å; V151-Y153 WeakPolarHBondContact O-CD2 3.49Å; Y153-F161 HydrophobicContact CD1-CB 4.02Å; Y153-F161 HydrophobicContact CG-CB 4.35Å; Y153-T162 CarbonylContact C-O 3.46Å; Y153-T162 VanDerWaalsContact CA-O 3.25Å; Y153-T162 WeakPolarHBondContact CA-O 3.14Å; Y153-I163 HydrophobicContact CD1-CB 4.46Å; Y153-I163 HydrophobicContact CD1-CG1 3.63Å; Y153-I163 HydrophobicContact CE1-CB 4.46Å; Y153-I163 HydrophobicContact CE1-CD1 4.01Å; Y153-I163 HydrophobicContact CE1-CG1 3.24Å; Y153-I197 CarbonylContact O-C 3.56Å; Y153-I197 VanDerWaalsContact O-CA 3.31Å; Y153-I197 WeakPolarHBondContact O-CA 3.5Å; Y153-K198 PolarHBondContact N-O 2.98Å; Y153-K198 PolarHBondContact O-N 3.06Å; Y153-E200 HydrophobicContact CD2-CG 4.27Å; Y153-E200 HydrophobicContact CE2-CB 4.03Å; Y153-E200 HydrophobicContact CE2-CG 3.72Å; Y153-E200 WeakPolarHBondContact CE2-OE2 3.48Å; Y153-E200 PolarHBondContact OH-OE2 3.41Å |
| 154 | R | 93.1 | Very high | 90 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 18% | 0.177 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136.1 | 167.7 | -178.2 | -171.1 | 69.3 | -157.4 | -1.6 | 109.7 | N156 F161 T162 R186 L188 R195 | R154-N156 PolarHBondContact NH2-OD1 2.73Å; R154-F161 WeakPolarHBondContact O-CA 3.33Å; R154-T162 PolarHBondContact N-O 2.82Å; R154-T162 PolarHBondContact O-N 3.49Å; R154-R186 PolarHBondContact NH1-O 3.07Å; R154-R186 VanDerWaalsContact NH1-O 3.14Å; R154-L188 WeakPolarHBondContact CB-O 3.41Å; R154-L188 VanDerWaalsContact CG-O 3.29Å; R154-L188 WeakPolarHBondContact CG-O 3.24Å; R154-R195 HydrophobicContact CG-CG 4.5Å |
| 155 | S | 89.8 | Confident | 90.6 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 142.3 | 169.4 | 64.6 | 0 | 0 | 0 | 0 | 112.6 | R195 T196 | S155-R195 WeakPolarHBondContact O-CD 3.06Å; S155-R195 PolarHBondContact O-NH1 3.19Å; S155-R195 VanDerWaalsContact OG-CG 3.25Å; S155-R195 WeakPolarHBondContact OG-CG 3.32Å; S155-T196 PolarHBondContact N-O 3.17Å; S155-T196 VanDerWaalsContact N-O 3.1Å; S155-T196 PolarHBondContact OG-O 2.77Å |
| 156 | N | 82.1 | Confident | 90.9 | Very high | 35 Ų | 35 | 48.4 Ų | 48.4 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -102.2 | 165.7 | 176 | -63 | -40.5 | 0 | 0 | 0 | 110.5 | R154 D158 G159 T160 T162 | R154-N156 PolarHBondContact NH2-OD1 2.73Å; N156-D158 WeakPolarHBondContact CB-OD1 3.45Å; N156-D158 PolarHBondContact O-N 2.78Å; N156-G159 PolarHBondContact O-N 3.36Å; N156-T160 PolarHBondContact N-O 3.47Å; N156-T160 PolarHBondContact ND2-OG1 2.92Å; N156-T162 PolarHBondContact ND2-OG1 2.81Å; N156-T162 PolarHBondContact OD1-OG1 2.87Å |
| 157 | E | 77.7 | Confident | 91.1 | Very high | 176 Ų | 176 | 49 Ų | 49 | 82% | 0.822 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.5 | -178.5 | -67.6 | 177.1 | -175 | 0 | 0 | 113 | G159 | E157-G159 PolarHBondContact O-N 2.59Š|
| 158 | D | 80 | Confident | 91.3 | Very high | 118 Ų | 118 | 51.2 Ų | 51.2 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.4 | 175.1 | 65.9 | -3.7 | 0 | 0 | 0 | 113.4 | N156 T160 | N156-D158 WeakPolarHBondContact CB-OD1 3.45Å; N156-D158 PolarHBondContact O-N 2.78Å; D158-T160 VanDerWaalsContact C-N 3.27Å; D158-T160 PolarHBondContact O-N 2.83Å; D158-T160 WeakPolarHBondContact OD1-CB 3.38Å; D158-T160 WeakPolarHBondContact OD1-CG2 3.36Å; D158-T160 PolarHBondContact OD1-N 2.94Å; D158-T160 PolarHBondContact OD1-OG1 3.24Å; D158-T160 WeakPolarHBondContact OD2-CG2 3.3Å; D158-T160 PolarHBondContact OD2-OG1 2.86Å |
| 159 | G | 79.4 | Confident | 91.3 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 58% | 0.577 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 79.6 | 1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N156 E157 | N156-G159 PolarHBondContact O-N 3.36Å; E157-G159 PolarHBondContact O-N 2.59Å |
| 160 | T | 86.9 | Confident | 91.2 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | trans | -78.3 | 172.5 | 173 | 69.1 | 0 | 0 | 0 | 0 | 111.4 | N156 D158 | N156-T160 PolarHBondContact N-O 3.47Å; N156-T160 PolarHBondContact ND2-OG1 2.92Å; D158-T160 VanDerWaalsContact C-N 3.27Å; D158-T160 PolarHBondContact O-N 2.83Å; D158-T160 WeakPolarHBondContact OD1-CB 3.38Å; D158-T160 WeakPolarHBondContact OD1-CG2 3.36Å; D158-T160 PolarHBondContact OD1-N 2.94Å; D158-T160 PolarHBondContact OD1-OG1 3.24Å; D158-T160 WeakPolarHBondContact OD2-CG2 3.3Å; D158-T160 PolarHBondContact OD2-OG1 2.86Å | ||
| 161 | F | 89.1 | Confident | 91 | Very high | 83 Ų | 83 | 61.8 Ų | 61.8 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.4 | 179.1 | -76.1 | -85.7 | 0 | 0 | 0 | 110.9 | Y153 R154 K198 | Y153-F161 HydrophobicContact CD1-CB 4.02Å; Y153-F161 HydrophobicContact CG-CB 4.35Å; R154-F161 WeakPolarHBondContact O-CA 3.33Å; F161-K198 HydrophobicContact CD1-CB 4.03Å; F161-K198 HydrophobicContact CE1-CB 3.66Å; F161-K198 HydrophobicContact CE1-CD 4.44Å; F161-K198 HydrophobicContact CZ-CB 4.32Å; F161-K198 HydrophobicContact CZ-CD 4.42Å |
| 162 | T | 86.4 | Confident | 90.9 | Very high | 62 Ų | 62 | 66.2 Ų | 66.2 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.2 | 174.9 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | Y153 R154 N156 C164 | Y153-T162 CarbonylContact C-O 3.46Å; Y153-T162 VanDerWaalsContact CA-O 3.25Å; Y153-T162 WeakPolarHBondContact CA-O 3.14Å; R154-T162 PolarHBondContact N-O 2.82Å; R154-T162 PolarHBondContact O-N 3.49Å; N156-T162 PolarHBondContact ND2-OG1 2.81Å; N156-T162 PolarHBondContact OD1-OG1 2.87Å; T162-C164 PolarHBondContact O-N 2.98Å |
| 163 | I | 90.7 | Very high | 90.8 | Very high | 82 Ų | 82 | 67.5 Ų | 67.5 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 127 | 174.2 | -62.8 | 170.8 | 0 | 0 | 0 | 109.1 | V151 F152 Y153 K166 | V151-I163 HydrophobicContact CG1-CD1 4.31Å; V151-I163 HydrophobicContact CG1-CG1 4.1Å; V151-I163 HydrophobicContact CG1-CG2 4.05Å; F152-I163 CarbonylContact O-C 3.57Å; F152-I163 WeakPolarHBondContact O-CA 3.49Å; Y153-I163 HydrophobicContact CD1-CB 4.46Å; Y153-I163 HydrophobicContact CD1-CG1 3.63Å; Y153-I163 HydrophobicContact CE1-CB 4.46Å; Y153-I163 HydrophobicContact CE1-CD1 4.01Å; Y153-I163 HydrophobicContact CE1-CG1 3.24Å; I163-K166 HydrophobicContact CG2-CG 4.32Å |
| 164 | C | 91.4 | Very high | 90.7 | Very high | 30 Ų | 30 | 67.7 Ų | 67.7 | 20% | 0.203 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -23.9 | 174.9 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | F152 T162 A187 | F152-C164 VanDerWaalsContact C-SG 3.56Å; F152-C164 WeakPolarHBondContact CB-SG 3.21Å; F152-C164 PolarHBondContact O-N 2.91Å; F152-C164 PolarHBondContact O-SG 3.16Å; F152-C164 VanDerWaalsContact O-SG 3.38Å; T162-C164 PolarHBondContact O-N 2.98Å; C164-A187 WeakPolarHBondContact CB-O 3.36Å |
| 165 | H | 95.9 | Very high | 90.9 | Very high | 47 Ų | 47 | 69.3 Ų | 69.3 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 156 | 176.8 | -169.8 | 74 | 0 | 0 | 0 | 113 | F152 F181 I183 | F152-H165 HydrophobicContact CB-CB 4.23Å; F152-H165 HydrophobicContact CD2-CB 4.33Å; F152-H165 PolarHBondContact N-O 3.04Å; H165-F181 AromaticContact CD2-CD2 3.52Å; H165-F181 AromaticContact CD2-CE2 3.76Å; H165-F181 AromaticContact CD2-CG 3.79Å; H165-F181 AromaticContact CE1-CD2 3.98Å; H165-F181 AromaticContact CE1-CG 3.98Å; H165-F181 WeakPolarHBondContact NE2-CB 3.32Å; H165-F181 AromaticContact NE2-CD1 3.85Å; H165-F181 AromaticContact NE2-CD2 3.44Å; H165-F181 WeakPolarHBondContact NE2-CD2 3.34Å; H165-F181 AromaticContact NE2-CG 3.28Å; H165-F181 VanDerWaalsContact NE2-CG 3.28Å; H165-F181 WeakPolarHBondContact NE2-CG 3.17Å; H165-I183 HydrophobicContact CB-CD1 3.33Å; H165-I183 HydrophobicContact CB-CG1 3.94Å |
| 166 | K | 96.6 | Very high | 91.3 | Very high | 120 Ų | 120 | 68.3 Ų | 68.3 | 52% | 0.522 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.3 | 169.3 | -65.6 | -172.4 | 178.4 | -177.2 | 0 | 109.4 | L150 V151 I163 | L150-K166 WeakPolarHBondContact O-CA 3.43Å; V151-K166 HydrophobicContact CG1-CG 4.05Å; V151-K166 HydrophobicContact CG2-CD 4.41Å; V151-K166 HydrophobicContact CG2-CG 4.15Å; I163-K166 HydrophobicContact CG2-CG 4.32Å |
| 167 | T | 97.8 | Very high | 92 | Very high | 13 Ų | 13 | 70.5 Ų | 70.5 | 8% | 0.08 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 171.8 | 174.5 | 64.8 | 0 | 0 | 0 | 0 | 111.1 | L150 F152 W178 F181 | L150-T167 HydrophobicContact CB-CG2 3.86Å; L150-T167 HydrophobicContact CD1-CG2 4.31Å; L150-T167 HydrophobicContact CG-CG2 4.34Å; L150-T167 PolarHBondContact N-OG1 3.36Å; L150-T167 PolarHBondContact O-N 3.17Å; L150-T167 VanDerWaalsContact O-N 3.08Å; F152-T167 HydrophobicContact CE2-CG2 4.31Å; T167-W178 HydrophobicContact CG2-CB 4.32Å; T167-W178 HydrophobicContact CG2-CG 4.29Å; T167-F181 HydrophobicContact CG2-CD1 4.03Å; T167-F181 HydrophobicContact CG2-CE1 3.77Å |
| 168 | E | 97.3 | Very high | 93 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 161.3 | 164.8 | 81 | -71.6 | -178.3 | 0 | 0 | 112.2 | F149 V170 W178 Q179 | F149-E168 WeakPolarHBondContact CB-O 3.44Å; E168-V170 HydrophobicContact CG-CG2 4.44Å; E168-W178 VanDerWaalsContact O-CD1 3.31Å; E168-W178 WeakPolarHBondContact OE1-CA 3.41Å; E168-Q179 PolarHBondContact OE1-N 3.32Å |
| 169 | V | 96.9 | Very high | 93.8 | Very high | 49 Ų | 49 | 62.8 Ų | 62.8 | 30% | 0.297 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 123.7 | 173.3 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | D147 F149 K171 W204 | D147-V169 HydrophobicContact CB-CG1 3.77Å; F149-V169 HydrophobicContact CB-CG2 4.15Å; F149-V169 HydrophobicContact CD1-CG2 4.08Å; F149-V169 HydrophobicContact CG-CG2 4.26Å; V169-K171 HydrophobicContact CG1-CG 4.45Å; V169-W204 HydrophobicContact CB-CB 4.44Å; V169-W204 HydrophobicContact CG1-CB 3.64Å; V169-W204 HydrophobicContact CG1-CG 4.04Å; V169-W204 HydrophobicContact CG2-CB 3.87Å; V169-W204 HydrophobicContact CG2-CG 3.83Å |
| 170 | V | 96.6 | Very high | 94.6 | Very high | 37 Ų | 37 | 62.5 Ų | 62.5 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | trans | -103 | 111.7 | 175.9 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | D147 P148 E168 T173 P176 W178 | D147-V170 CarbonylContact C-O 3.46Å; D147-V170 WeakPolarHBondContact CA-O 3.18Å; P148-V170 WeakPolarHBondContact CD-O 3.3Å; P148-V170 PolarHBondContact O-N 3.21Å; E168-V170 HydrophobicContact CG-CG2 4.44Å; V170-T173 HydrophobicContact CB-CG2 4.17Å; V170-T173 HydrophobicContact CG1-CG2 3.61Å; V170-P176 HydrophobicContact CB-CB 3.9Å; V170-P176 HydrophobicContact CG1-CB 4.16Å; V170-P176 HydrophobicContact CG2-CB 4.07Å; V170-W178 HydrophobicContact CG2-CG 4.38Å | ||
| 171 | K | 93.9 | Very high | 95 | Very high | 150 Ų | 150 | 60.3 Ų | 60.3 | 65% | 0.652 | 31% | 0.314 | S | S | * | . | trans | -75.8 | 144.7 | -169.3 | -62.4 | -173.6 | 177 | -176.1 | 0 | 114.6 | D147 V169 T173 | D147-K171 WeakPolarHBondContact OD1-CA 3.3Å; D147-K171 WeakPolarHBondContact OD1-CB 3.39Å; V169-K171 HydrophobicContact CG1-CG 4.45Å; K171-T173 PolarHBondContact O-N 2.79Å | ||
| 172 | N | 93.4 | Very high | 95.1 | Very high | 96 Ų | 96 | 60.4 Ų | 60.4 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 52.4 | 50.3 | 166.6 | -169.4 | 20.2 | 0 | 0 | 0 | 113.1 | K145 S146 D147 | K145-N172 WeakPolarHBondContact CB-OD1 3.42Å; K145-N172 PolarHBondContact N-OD1 3.33Å; S146-N172 CarbonylContact O-C 3.58Å; S146-N172 WeakPolarHBondContact O-CA 3.22Å; S146-N172 PolarHBondContact O-N 2.72Å; D147-N172 PolarHBondContact OD1-N 3.35Å |
| 173 | T | 95.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 16% | 0.16 | 30% | 0.297 | C | S | . | . | trans | -147.2 | 147.2 | 179.9 | -170.3 | 0 | 0 | 0 | 0 | 113.2 | S146 P148 V170 K171 N175 P176 | S146-T173 PolarHBondContact O-N 3.34Å; P148-T173 VanDerWaalsContact CD-O 3.24Å; P148-T173 WeakPolarHBondContact CD-O 3.32Å; P148-T173 HydrophobicContact CG-CG2 4.19Å; P148-T173 WeakPolarHBondContact CG-O 3.48Å; V170-T173 HydrophobicContact CB-CG2 4.17Å; V170-T173 HydrophobicContact CG1-CG2 3.61Å; K171-T173 PolarHBondContact O-N 2.79Å; T173-N175 PolarHBondContact OG1-N 3.3Å; T173-N175 VanDerWaalsContact OG1-N 3.08Å; T173-N175 PolarHBondContact OG1-O 2.83Å; T173-P176 HydrophobicContact CG2-CB 3.92Å | ||
| 174 | L | 95.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 56.6 Ų | 56.6 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -104 | 1.3 | 169.3 | -53.2 | -178.2 | 0 | 0 | 0 | 111.8 | K136 L137 K139 K145 P176 | K136-L174 PolarHBondContact N-O 3.14Å; L137-L174 PolarHBondContact N-O 3.23Å; L137-L174 WeakPolarHBondContact O-CB 3.17Å; L137-L174 WeakPolarHBondContact O-CD1 3.48Å; L137-L174 WeakPolarHBondContact O-CD2 3.49Å; K139-L174 HydrophobicContact CB-CD1 4.43Å; K139-L174 HydrophobicContact CB-CD2 4.21Å; K145-L174 HydrophobicContact CB-CD2 3.96Å; K145-L174 HydrophobicContact CB-CG 4.12Å; K145-L174 HydrophobicContact CD-CG 4.21Å; K145-L174 HydrophobicContact CG-CD2 4.47Å; K145-L174 HydrophobicContact CG-CG 4.16Å; L174-P176 VanDerWaalsContact C-CD 3.48Å |
| 175 | N | 97.2 | Very high | 95.3 | Very high | 81 Ų | 81 | 55.2 Ų | 55.2 | 43% | 0.433 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -133 | 63.3 | 179.4 | -47.4 | -80.2 | 0 | 0 | 0 | 109.5 | G134 T135 K136 T173 | G134-N175 CarbonylContact O-C 3.55Å; G134-N175 WeakPolarHBondContact O-CA 3.43Å; T135-N175 WeakPolarHBondContact CA-OD1 3.46Å; K136-N175 PolarHBondContact N-OD1 2.85Å; T173-N175 PolarHBondContact OG1-N 3.3Å; T173-N175 VanDerWaalsContact OG1-N 3.08Å; T173-N175 PolarHBondContact OG1-O 2.83Å |
| 176 | P | 97.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | trans | -66.9 | 147 | -178.9 | 30.1 | -37.3 | 0 | 0 | 0 | 111.1 | C133 G134 L137 P148 V170 T173 L174 W178 | C133-P176 CarbonylContact C-O 3.57Å; C133-P176 WeakPolarHBondContact CA-O 2.91Å; C133-P176 VanDerWaalsContact CB-O 3.26Å; C133-P176 WeakPolarHBondContact CB-O 3.45Å; G134-P176 PolarHBondContact N-O 3.5Å; L137-P176 HydrophobicContact CD1-CG 3.73Å; P148-P176 HydrophobicContact CB-CG 4.18Å; P148-P176 HydrophobicContact CG-CB 3.8Å; P148-P176 HydrophobicContact CG-CG 3.54Å; V170-P176 HydrophobicContact CB-CB 3.9Å; V170-P176 HydrophobicContact CG1-CB 4.16Å; V170-P176 HydrophobicContact CG2-CB 4.07Å; T173-P176 HydrophobicContact CG2-CB 3.92Å; L174-P176 VanDerWaalsContact C-CD 3.48Å; P176-W178 HydrophobicContact CB-CD2 4.25Å; P176-W178 HydrophobicContact CB-CH2 4.27Å; P176-W178 HydrophobicContact CB-CZ2 3.86Å; P176-W178 HydrophobicContact CG-CD2 4.36Å; P176-W178 HydrophobicContact CG-CE3 4.39Å; P176-W178 HydrophobicContact CG-CH2 3.38Å; P176-W178 HydrophobicContact CG-CZ2 3.3Å; P176-W178 HydrophobicContact CG-CZ3 3.94Å | ||
| 177 | V | 97.6 | Very high | 94.4 | Very high | 81 Ų | 81 | 56.4 Ų | 56.4 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -116.6 | 110.8 | 161.1 | 179.9 | 0 | 0 | 0 | 0 | 105.2 | C133 L256 | C133-V177 HydrophobicContact CB-CG2 4.01Å; V177-L256 HydrophobicContact CG1-CD1 4.09Å |
| 178 | W | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 153.2 | 178.3 | -62.3 | -79.3 | 0 | 0 | 0 | 110.1 | Q131 F132 G134 L137 P148 L150 T167 E168 V170 P176 V253 | Q131-W178 VanDerWaalsContact CG-O 3.31Å; Q131-W178 WeakPolarHBondContact CG-O 3.25Å; Q131-W178 PolarHBondContact NE2-O 2.69Å; Q131-W178 VanDerWaalsContact NE2-O 3.1Å; F132-W178 HydrophobicContact CB-CE3 3.87Å; F132-W178 HydrophobicContact CB-CZ3 4.28Å; F132-W178 PolarHBondContact O-N 2.76Å; F132-W178 VanDerWaalsContact O-N 3.09Å; G134-W178 VanDerWaalsContact N-CZ3 3.34Å; L137-W178 HydrophobicContact CD1-CH2 4.28Å; P148-W178 HydrophobicContact CB-CZ2 4.14Å; P148-W178 PolarHBondContact O-NE1 3.18Å; P148-W178 VanDerWaalsContact O-NE1 3.1Å; L150-W178 HydrophobicContact CD1-CD2 4.12Å; L150-W178 HydrophobicContact CD1-CE3 3.72Å; L150-W178 HydrophobicContact CD1-CH2 4.08Å; L150-W178 HydrophobicContact CD1-CZ2 4.44Å; L150-W178 HydrophobicContact CD1-CZ3 3.7Å; L150-W178 HydrophobicContact CD2-CH2 3.57Å; L150-W178 HydrophobicContact CD2-CZ2 3.87Å; L150-W178 HydrophobicContact CD2-CZ3 4.04Å; L150-W178 HydrophobicContact CG-CD2 4.11Å; L150-W178 HydrophobicContact CG-CE3 4.08Å; L150-W178 HydrophobicContact CG-CH2 3.74Å; L150-W178 HydrophobicContact CG-CZ2 3.76Å; L150-W178 HydrophobicContact CG-CZ3 3.91Å; T167-W178 HydrophobicContact CG2-CB 4.32Å; T167-W178 HydrophobicContact CG2-CG 4.29Å; E168-W178 VanDerWaalsContact O-CD1 3.31Å; E168-W178 WeakPolarHBondContact OE1-CA 3.41Å; V170-W178 HydrophobicContact CG2-CG 4.38Å; P176-W178 HydrophobicContact CB-CD2 4.25Å; P176-W178 HydrophobicContact CB-CH2 4.27Å; P176-W178 HydrophobicContact CB-CZ2 3.86Å; P176-W178 HydrophobicContact CG-CD2 4.36Å; P176-W178 HydrophobicContact CG-CE3 4.39Å; P176-W178 HydrophobicContact CG-CH2 3.38Å; P176-W178 HydrophobicContact CG-CZ2 3.3Å; P176-W178 HydrophobicContact CG-CZ3 3.94Å; W178-V253 HydrophobicContact CH2-CG2 4.36Å; W178-V253 HydrophobicContact CZ3-CG1 4.47Å; W178-V253 HydrophobicContact CZ3-CG2 4.44Å |
| 179 | Q | 97.1 | Very high | 93.8 | Very high | 132 Ų | 132 | 52.4 Ų | 52.4 | 62% | 0.617 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 150.3 | 173.4 | -66.9 | -60.5 | -35.3 | 0 | 0 | 110.1 | E168 | E168-Q179 PolarHBondContact OE1-N 3.32Š|
| 180 | A | 95.6 | Very high | 93.1 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 137.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M129 M130 Q131 | M129-A180 HydrophobicContact CG-CB 4.39Å; M130-A180 CarbonylContact O-C 3.6Å; M130-A180 VanDerWaalsContact O-CA 3.3Å; M130-A180 WeakPolarHBondContact O-CA 3.47Å; Q131-A180 HydrophobicContact CB-CB 4.16Å; Q131-A180 HydrophobicContact CG-CB 4.46Å |
| 181 | F | 94.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 155.6 | -179.1 | 60.2 | -96.8 | 0 | 0 | 0 | 111 | M129 M130 F132 F152 H165 T167 I183 | M129-F181 CarbonylContact C-O 3.52Å; M129-F181 VanDerWaalsContact CA-O 3.31Å; M129-F181 WeakPolarHBondContact CA-O 3.24Å; M130-F181 HydrophobicContact CB-CE2 4.21Å; M130-F181 HydrophobicContact CB-CZ 4.16Å; M130-F181 HydrophobicContact CE-CE2 3.69Å; M130-F181 HydrophobicContact CE-CZ 4.13Å; M130-F181 PolarHBondContact N-O 2.56Å; M130-F181 PolarHBondContact O-N 2.95Å; F132-F181 AromaticContact CD2-CE1 3.89Å; F132-F181 HydrophobicContact CD2-CE1 3.89Å; F132-F181 AromaticContact CD2-CZ 3.81Å; F132-F181 HydrophobicContact CD2-CZ 3.81Å; F132-F181 HydrophobicContact CE2-CE1 4.34Å; F132-F181 AromaticContact CE2-CZ 3.79Å; F132-F181 HydrophobicContact CE2-CZ 3.79Å; F152-F181 HydrophobicContact CD2-CZ 4.39Å; F152-F181 HydrophobicContact CE1-CZ 4.36Å; F152-F181 HydrophobicContact CE2-CE1 4.21Å; F152-F181 HydrophobicContact CE2-CE2 4.3Å; F152-F181 AromaticContact CE2-CZ 3.58Å; F152-F181 HydrophobicContact CE2-CZ 3.58Å; F152-F181 HydrophobicContact CZ-CE1 4.39Å; F152-F181 HydrophobicContact CZ-CE2 4.4Å; F152-F181 AromaticContact CZ-CZ 3.58Å; F152-F181 HydrophobicContact CZ-CZ 3.58Å; H165-F181 AromaticContact CD2-CD2 3.52Å; H165-F181 AromaticContact CD2-CE2 3.76Å; H165-F181 AromaticContact CD2-CG 3.79Å; H165-F181 AromaticContact CE1-CD2 3.98Å; H165-F181 AromaticContact CE1-CG 3.98Å; H165-F181 WeakPolarHBondContact NE2-CB 3.32Å; H165-F181 AromaticContact NE2-CD1 3.85Å; H165-F181 AromaticContact NE2-CD2 3.44Å; H165-F181 WeakPolarHBondContact NE2-CD2 3.34Å; H165-F181 AromaticContact NE2-CG 3.28Å; H165-F181 VanDerWaalsContact NE2-CG 3.28Å; H165-F181 WeakPolarHBondContact NE2-CG 3.17Å; T167-F181 HydrophobicContact CG2-CD1 4.03Å; T167-F181 HydrophobicContact CG2-CE1 3.77Å; F181-I183 HydrophobicContact CD2-CD1 3.88Å; F181-I183 HydrophobicContact CD2-CG1 3.71Å; F181-I183 HydrophobicContact CE2-CD1 3.46Å; F181-I183 VanDerWaalsContact CE2-CD1 3.46Å; F181-I183 HydrophobicContact CE2-CG1 3.8Å |
| 182 | K | 92.3 | Very high | 91.9 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 37% | 0.365 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.6 | -179.2 | -173.7 | 174.4 | 178 | 173.3 | 0 | 110.2 | S127 V128 D261 | S127-K182 WeakPolarHBondContact OG-CE 3.46Å; V128-K182 CarbonylContact O-C 3.54Å; V128-K182 VanDerWaalsContact O-CA 3.32Å; V128-K182 WeakPolarHBondContact O-CA 3.36Å; K182-D261 IonicContact NZ-OD2 3.98Å; K182-D261 PolarHBondContact NZ-OD2 3.47Å |
| 183 | I | 91.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.3 | 174 | -51.7 | 179.9 | 0 | 0 | 0 | 109.4 | S127 V128 M130 H165 F181 V185 A187 L188 | S127-I183 CarbonylContact C-O 3.56Å; S127-I183 WeakPolarHBondContact CA-O 3.2Å; V128-I183 HydrophobicContact CG2-CB 4.46Å; V128-I183 PolarHBondContact N-O 3.39Å; V128-I183 PolarHBondContact O-N 3.45Å; M130-I183 HydrophobicContact CE-CD1 4.06Å; H165-I183 HydrophobicContact CB-CD1 3.33Å; H165-I183 HydrophobicContact CB-CG1 3.94Å; F181-I183 HydrophobicContact CD2-CD1 3.88Å; F181-I183 HydrophobicContact CD2-CG1 3.71Å; F181-I183 HydrophobicContact CE2-CD1 3.46Å; F181-I183 VanDerWaalsContact CE2-CD1 3.46Å; F181-I183 HydrophobicContact CE2-CG1 3.8Å; I183-V185 PolarHBondContact O-N 3.17Å; I183-A187 HydrophobicContact CG2-CB 4.08Å; I183-L188 HydrophobicContact CD1-CD1 4.27Å; I183-L188 HydrophobicContact CG2-CB 3.98Å |
| 184 | P | 90.1 | Very high | 91.7 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 41% | 0.409 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 135.3 | 169.3 | -23.2 | 33.9 | 0 | 0 | 0 | 111.5 | R186 A187 L188 | P184-R186 PolarHBondContact O-N 2.71Å; P184-R186 VanDerWaalsContact O-N 3.16Å; P184-A187 HydrophobicContact CB-CB 4.22Å; P184-A187 WeakPolarHBondContact O-CA 3.38Å; P184-A187 WeakPolarHBondContact O-CB 3.4Å; P184-A187 PolarHBondContact O-N 2.92Å; P184-L188 PolarHBondContact O-N 2.56Å |
| 185 | V | 89.8 | Confident | 91.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.6 | -32.6 | -179.2 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | C124 E126 V128 I183 A187 L188 C189 N190 Y193 Y220 | C124-V185 VanDerWaalsContact SG-CB 3.58Å; E126-V185 HydrophobicContact CB-CB 4.14Å; E126-V185 HydrophobicContact CB-CG2 3.58Å; E126-V185 WeakPolarHBondContact O-CB 3.19Å; E126-V185 VanDerWaalsContact O-CG2 3.3Å; E126-V185 WeakPolarHBondContact O-CG2 3.41Å; E126-V185 PolarHBondContact O-N 3.14Å; V128-V185 HydrophobicContact CG1-CG2 3.98Å; I183-V185 PolarHBondContact O-N 3.17Å; V185-A187 PolarHBondContact O-N 2.82Å; V185-L188 PolarHBondContact O-N 2.85Å; V185-C189 VanDerWaalsContact CG1-SG 3.55Å; V185-C189 PolarHBondContact O-N 3.41Å; V185-C189 PolarHBondContact O-SG 3.17Å; V185-N190 PolarHBondContact O-N 3.22Å; V185-Y193 HydrophobicContact CG1-CD1 4.36Å; V185-Y193 HydrophobicContact CG1-CE1 3.71Å; V185-Y220 HydrophobicContact CB-CE2 4.43Å; V185-Y220 HydrophobicContact CG1-CD2 4.27Å; V185-Y220 HydrophobicContact CG1-CE2 4.08Å; V185-Y220 HydrophobicContact CG2-CD2 4.19Å; V185-Y220 HydrophobicContact CG2-CE2 3.46Å; V185-Y220 VanDerWaalsContact CG2-CE2 3.46Å |
| 186 | R | 86.4 | Confident | 91.4 | Very high | 157 Ų | 157 | 50.6 Ų | 50.6 | 59% | 0.592 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.7 | -40.3 | 172.2 | -170.1 | 178.9 | -177.1 | -175.8 | 0.2 | 113.2 | R154 P184 N190 | R154-R186 PolarHBondContact NH1-O 3.07Å; R154-R186 VanDerWaalsContact NH1-O 3.14Å; P184-R186 PolarHBondContact O-N 2.71Å; P184-R186 VanDerWaalsContact O-N 3.16Å; R186-N190 WeakPolarHBondContact O-CA 3.43Å; R186-N190 PolarHBondContact O-N 3.3Å |
| 187 | A | 88.1 | Confident | 91.4 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | C164 I183 P184 V185 | C164-A187 WeakPolarHBondContact CB-O 3.36Å; I183-A187 HydrophobicContact CG2-CB 4.08Å; P184-A187 HydrophobicContact CB-CB 4.22Å; P184-A187 WeakPolarHBondContact O-CA 3.38Å; P184-A187 WeakPolarHBondContact O-CB 3.4Å; P184-A187 PolarHBondContact O-N 2.92Å; V185-A187 PolarHBondContact O-N 2.82Å |
| 188 | L | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.1 | -45.2 | -176.7 | -171.2 | 61.3 | 0 | 0 | 0 | 113.3 | V128 M130 R154 I183 P184 V185 I197 Y220 | V128-L188 HydrophobicContact CG2-CD2 3.73Å; M130-L188 HydrophobicContact CE-CD2 4.24Å; R154-L188 WeakPolarHBondContact CB-O 3.41Å; R154-L188 VanDerWaalsContact CG-O 3.29Å; R154-L188 WeakPolarHBondContact CG-O 3.24Å; I183-L188 HydrophobicContact CD1-CD1 4.27Å; I183-L188 HydrophobicContact CG2-CB 3.98Å; P184-L188 PolarHBondContact O-N 2.56Å; V185-L188 PolarHBondContact O-N 2.85Å; L188-I197 HydrophobicContact CD1-CD1 3.81Å; L188-I197 HydrophobicContact CD1-CG1 4.13Å; L188-I197 HydrophobicContact CD1-CG2 4Å; L188-I197 HydrophobicContact CD2-CD1 3.93Å; L188-I197 HydrophobicContact CG-CD1 3.57Å; L188-I197 HydrophobicContact CG-CG1 4.18Å; L188-Y220 HydrophobicContact CD2-CD2 4.33Å |
| 189 | C | 89.4 | Confident | 91.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -143.7 | 6.4 | -172.3 | 71.3 | 0 | 0 | 0 | 0 | 114.7 | V185 G191 D192 R195 | V185-C189 VanDerWaalsContact CG1-SG 3.55Å; V185-C189 PolarHBondContact O-N 3.41Å; V185-C189 PolarHBondContact O-SG 3.17Å; C189-G191 PolarHBondContact O-N 2.94Å; C189-G191 VanDerWaalsContact O-N 3.16Å; C189-D192 VanDerWaalsContact CB-O 3.25Å; C189-D192 WeakPolarHBondContact CB-O 3.45Å; C189-D192 PolarHBondContact O-N 3.45Å; C189-D192 PolarHBondContact SG-O 3.11Å; C189-R195 HydrophobicContact CB-CB 4.17Å; C189-R195 VanDerWaalsContact O-CD 3.32Å; C189-R195 WeakPolarHBondContact O-CD 3.41Å; C189-R195 PolarHBondContact O-NE 3.31Å |
| 190 | N | 82.6 | Confident | 91.3 | Very high | 72 Ų | 72 | 42.7 Ų | 42.7 | 39% | 0.385 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 30.1 | 179.7 | -160.5 | 43.9 | 0 | 0 | 0 | 114.3 | V185 R186 D192 | V185-N190 PolarHBondContact O-N 3.22Å; R186-N190 WeakPolarHBondContact O-CA 3.43Å; R186-N190 PolarHBondContact O-N 3.3Å; N190-D192 VanDerWaalsContact C-N 3.26Å; N190-D192 PolarHBondContact O-N 3.45Å |
| 191 | G | 78.6 | Confident | 91.4 | Very high | 39 Ų | 39 | 40.3 Ų | 40.3 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -4.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C189 Y193 | C189-G191 PolarHBondContact O-N 2.94Å; C189-G191 VanDerWaalsContact O-N 3.16Å; G191-Y193 WeakPolarHBondContact O-CD1 3.21Å |
| 192 | D | 86.1 | Confident | 91.5 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | trans | -93 | 102.8 | 173.1 | 174.9 | 1 | 0 | 0 | 0 | 109.2 | C189 N190 D194 R195 | C189-D192 VanDerWaalsContact CB-O 3.25Å; C189-D192 WeakPolarHBondContact CB-O 3.45Å; C189-D192 PolarHBondContact O-N 3.45Å; C189-D192 PolarHBondContact SG-O 3.11Å; N190-D192 VanDerWaalsContact C-N 3.26Å; N190-D192 PolarHBondContact O-N 3.45Å; D192-D194 PolarHBondContact O-N 3.45Å; D192-D194 PolarHBondContact OD1-N 3.23Å; D192-R195 HydrophobicContact CB-CB 3.95Å; D192-R195 WeakPolarHBondContact O-CB 3.27Å; D192-R195 PolarHBondContact O-N 3.45Å; D192-R195 VanDerWaalsContact O-N 3.08Å; D192-R195 PolarHBondContact OD1-N 2.84Å; D192-R195 IonicContact OD2-NE 2.67Å; D192-R195 IonicContact OD2-NH2 2.96Å | ||
| 193 | Y | 91.8 | Very high | 91.5 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 28% | 0.275 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -13.4 | -170.4 | -67.7 | 2.5 | 0 | 0 | 0 | 113.5 | E126 V185 G191 Y220 R221 | E126-Y193 PolarHBondContact OE2-OH 3.15Å; V185-Y193 HydrophobicContact CG1-CD1 4.36Å; V185-Y193 HydrophobicContact CG1-CE1 3.71Å; G191-Y193 WeakPolarHBondContact O-CD1 3.21Å; Y193-Y220 AromaticContact CD1-CD1 3.84Å; Y193-Y220 HydrophobicContact CD1-CD1 3.84Å; Y193-Y220 HydrophobicContact CD1-CE1 4.17Å; Y193-Y220 HydrophobicContact CD1-CG 4.31Å; Y193-Y220 AromaticContact CD2-CD1 3.74Å; Y193-Y220 HydrophobicContact CD2-CD1 3.74Å; Y193-Y220 AromaticContact CD2-CE1 3.72Å; Y193-Y220 HydrophobicContact CD2-CE1 3.72Å; Y193-Y220 HydrophobicContact CE1-CD1 4.33Å; Y193-Y220 HydrophobicContact CE1-CE1 4.22Å; Y193-Y220 HydrophobicContact CE2-CD1 4.21Å; Y193-Y220 AromaticContact CE2-CE1 3.73Å; Y193-Y220 HydrophobicContact CE2-CE1 3.73Å; Y193-Y220 AromaticContact CG-CD1 3.53Å; Y193-Y220 HydrophobicContact CG-CD1 3.53Å; Y193-Y220 AromaticContact CG-CE1 3.95Å; Y193-Y220 HydrophobicContact CG-CE1 3.95Å; Y193-Y220 HydrophobicContact CG-CG 4.34Å; Y193-Y220 AromaticContact CZ-CE1 4Å; Y193-Y220 PolarHBondContact O-N 3.12Å; Y193-R221 WeakPolarHBondContact O-CB 3.36Å; Y193-R221 PolarHBondContact O-N 3.42Å |
| 194 | D | 93.6 | Very high | 91.6 | Very high | 92 Ų | 92 | 41.7 Ų | 41.7 | 49% | 0.492 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -4.5 | 177.1 | -64.2 | -68.2 | 0 | 0 | 0 | 112.1 | D192 T196 R221 | D192-D194 PolarHBondContact O-N 3.45Å; D192-D194 PolarHBondContact OD1-N 3.23Å; D194-T196 PolarHBondContact O-N 3.14Å; D194-R221 WeakPolarHBondContact OD1-CD 3.35Å; D194-R221 IonicContact OD1-CZ 3.68Å; D194-R221 IonicContact OD1-NE 2.8Å; D194-R221 PolarHBondContact OD1-NE 3.02Å; D194-R221 IonicContact OD1-NH2 3.51Å; D194-R221 IonicContact OD2-CZ 3.98Å; D194-R221 IonicContact OD2-NE 3.55Å; D194-R221 PolarHBondContact OD2-NE 3.44Å; D194-R221 IonicContact OD2-NH2 3.97Å; D194-R221 PolarHBondContact OD2-NH2 3.41Å |
| 195 | R | 91.5 | Very high | 91.4 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 12% | 0.121 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -60 | 133.9 | 177.4 | -172.9 | 169.2 | -71.1 | -125.4 | 2 | 111.4 | R154 S155 C189 D192 I197 | R154-R195 HydrophobicContact CG-CG 4.5Å; S155-R195 WeakPolarHBondContact O-CD 3.06Å; S155-R195 PolarHBondContact O-NH1 3.19Å; S155-R195 VanDerWaalsContact OG-CG 3.25Å; S155-R195 WeakPolarHBondContact OG-CG 3.32Å; C189-R195 HydrophobicContact CB-CB 4.17Å; C189-R195 VanDerWaalsContact O-CD 3.32Å; C189-R195 WeakPolarHBondContact O-CD 3.41Å; C189-R195 PolarHBondContact O-NE 3.31Å; D192-R195 HydrophobicContact CB-CB 3.95Å; D192-R195 WeakPolarHBondContact O-CB 3.27Å; D192-R195 PolarHBondContact O-N 3.45Å; D192-R195 VanDerWaalsContact O-N 3.08Å; D192-R195 PolarHBondContact OD1-N 2.84Å; D192-R195 IonicContact OD2-NE 2.67Å; D192-R195 IonicContact OD2-NH2 2.96Å; R195-I197 PolarHBondContact O-N 3.45Å |
| 196 | T | 95.4 | Very high | 90.9 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | trans | -64.4 | 124.7 | 179.1 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | S155 D194 | S155-T196 PolarHBondContact N-O 3.17Å; S155-T196 VanDerWaalsContact N-O 3.1Å; S155-T196 PolarHBondContact OG-O 2.77Å; D194-T196 PolarHBondContact O-N 3.14Å | ||
| 197 | I | 97.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.5 | 168.6 | -59.6 | 159.8 | 0 | 0 | 0 | 106.4 | F152 Y153 L188 R195 V199 S217 T218 L223 | F152-I197 HydrophobicContact CD1-CG2 4.23Å; Y153-I197 CarbonylContact O-C 3.56Å; Y153-I197 VanDerWaalsContact O-CA 3.31Å; Y153-I197 WeakPolarHBondContact O-CA 3.5Å; L188-I197 HydrophobicContact CD1-CD1 3.81Å; L188-I197 HydrophobicContact CD1-CG1 4.13Å; L188-I197 HydrophobicContact CD1-CG2 4Å; L188-I197 HydrophobicContact CD2-CD1 3.93Å; L188-I197 HydrophobicContact CG-CD1 3.57Å; L188-I197 HydrophobicContact CG-CG1 4.18Å; R195-I197 PolarHBondContact O-N 3.45Å; I197-V199 HydrophobicContact CG2-CG2 4.27Å; I197-S217 CarbonylContact O-C 3.48Å; I197-S217 VanDerWaalsContact O-CA 3.31Å; I197-S217 WeakPolarHBondContact O-CA 3.41Å; I197-T218 HydrophobicContact CB-CG2 4.02Å; I197-T218 HydrophobicContact CG2-CG2 4.31Å; I197-T218 PolarHBondContact N-O 2.73Å; I197-T218 PolarHBondContact O-N 3.26Å; I197-L223 HydrophobicContact CD1-CD1 3.94Å |
| 198 | K | 96.8 | Very high | 90 | Very high | 32 Ų | 32 | 50.3 Ų | 50.3 | 14% | 0.139 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.9 | 173.6 | -179.3 | 178.1 | 64.1 | 147.6 | 0 | 108.9 | Y153 F161 E200 E215 | Y153-K198 PolarHBondContact N-O 2.98Å; Y153-K198 PolarHBondContact O-N 3.06Å; F161-K198 HydrophobicContact CD1-CB 4.03Å; F161-K198 HydrophobicContact CE1-CB 3.66Å; F161-K198 HydrophobicContact CE1-CD 4.44Å; F161-K198 HydrophobicContact CZ-CB 4.32Å; F161-K198 HydrophobicContact CZ-CD 4.42Å; K198-E200 WeakPolarHBondContact CE-OE1 3.49Å; K198-E200 HydrophobicContact CG-CG 4.5Å; K198-E200 IonicContact NZ-OE1 2.69Å; K198-E200 PolarHBondContact NZ-OE1 3.01Å; K198-E215 IonicContact NZ-OE2 3.62Å |
| 199 | V | 97.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123.8 | 176.7 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | L150 V151 F152 I197 E215 F216 | L150-V199 HydrophobicContact CB-CG1 4.25Å; L150-V199 HydrophobicContact CD1-CG1 4.5Å; L150-V199 HydrophobicContact CD2-CG1 4.17Å; V151-V199 WeakPolarHBondContact O-CA 3.42Å; F152-V199 HydrophobicContact CD1-CG1 4.43Å; F152-V199 HydrophobicContact CD1-CG2 3.56Å; F152-V199 HydrophobicContact CE1-CG1 4.2Å; F152-V199 HydrophobicContact CE1-CG2 3.57Å; F152-V199 HydrophobicContact CE2-CG1 4.32Å; F152-V199 HydrophobicContact CG-CG2 4.3Å; F152-V199 HydrophobicContact CZ-CG1 4.12Å; F152-V199 HydrophobicContact CZ-CG2 4.31Å; I197-V199 HydrophobicContact CG2-CG2 4.27Å; V199-E215 CarbonylContact O-C 3.52Å; V199-E215 WeakPolarHBondContact O-CA 3.43Å; V199-E215 WeakPolarHBondContact O-CB 3.49Å; V199-F216 HydrophobicContact CB-CD1 4.08Å; V199-F216 HydrophobicContact CB-CD2 4.29Å; V199-F216 HydrophobicContact CB-CE1 3.58Å; V199-F216 HydrophobicContact CB-CE2 3.82Å; V199-F216 HydrophobicContact CB-CG 4.42Å; V199-F216 HydrophobicContact CB-CZ 3.44Å; V199-F216 VanDerWaalsContact CB-CZ 3.44Å; V199-F216 HydrophobicContact CG1-CD1 4.5Å; V199-F216 HydrophobicContact CG1-CE1 3.65Å; V199-F216 HydrophobicContact CG1-CE2 4.49Å; V199-F216 HydrophobicContact CG1-CZ 3.66Å; V199-F216 HydrophobicContact CG2-CD2 4.43Å; V199-F216 HydrophobicContact CG2-CE1 4.34Å; V199-F216 HydrophobicContact CG2-CE2 3.73Å; V199-F216 HydrophobicContact CG2-CZ 3.69Å; V199-F216 PolarHBondContact N-O 3.23Å; V199-F216 PolarHBondContact O-N 3.29Å |
| 200 | E | 96.9 | Very high | 89.6 | Confident | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 140.9 | 176.4 | -65.2 | 176.2 | 169.5 | 0 | 0 | 109.7 | L150 V151 Y153 K198 Y202 F212 E215 | L150-E200 CarbonylContact C-O 3.56Å; L150-E200 WeakPolarHBondContact CA-O 3.25Å; V151-E200 PolarHBondContact N-O 2.72Å; V151-E200 PolarHBondContact O-N 2.86Å; Y153-E200 HydrophobicContact CD2-CG 4.27Å; Y153-E200 HydrophobicContact CE2-CB 4.03Å; Y153-E200 HydrophobicContact CE2-CG 3.72Å; Y153-E200 WeakPolarHBondContact CE2-OE2 3.48Å; Y153-E200 PolarHBondContact OH-OE2 3.41Å; K198-E200 WeakPolarHBondContact CE-OE1 3.49Å; K198-E200 HydrophobicContact CG-CG 4.5Å; K198-E200 IonicContact NZ-OE1 2.69Å; K198-E200 PolarHBondContact NZ-OE1 3.01Å; E200-Y202 HydrophobicContact CB-CD2 4.08Å; E200-Y202 HydrophobicContact CB-CE2 3.48Å; E200-Y202 VanDerWaalsContact CB-CE2 3.48Å; E200-Y202 HydrophobicContact CG-CE2 4.41Å; E200-Y202 VanDerWaalsContact OE2-CE2 3.32Å; E200-Y202 WeakPolarHBondContact OE2-CE2 3.47Å; E200-Y202 PolarHBondContact OE2-OH 2.91Å; E200-F212 HydrophobicContact CB-CE2 4.05Å; E200-F212 HydrophobicContact CG-CE2 4.02Å; E200-E215 HydrophobicContact CG-CB 4.07Å |
| 201 | V | 97.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.1 | 176.6 | -165.8 | 0 | 0 | 0 | 0 | 107.6 | L137 L150 I213 G214 V235 V253 | L137-V201 HydrophobicContact CD1-CG1 4.07Å; L137-V201 HydrophobicContact CD2-CG1 4.48Å; L150-V201 HydrophobicContact CD2-CB 4.27Å; L150-V201 HydrophobicContact CD2-CG1 4.16Å; L150-V201 HydrophobicContact CD2-CG2 3.68Å; V201-I213 HydrophobicContact CB-CB 4.13Å; V201-I213 HydrophobicContact CB-CG2 4.39Å; V201-I213 HydrophobicContact CG1-CB 4.14Å; V201-I213 HydrophobicContact CG1-CD1 4.14Å; V201-I213 HydrophobicContact CG1-CG2 4.28Å; V201-I213 WeakPolarHBondContact O-CA 3.03Å; V201-I213 WeakPolarHBondContact O-CB 3.23Å; V201-I213 PolarHBondContact O-N 3.12Å; V201-G214 PolarHBondContact N-O 3.39Å; V201-G214 PolarHBondContact O-N 3.12Å; V201-V235 HydrophobicContact CB-CG1 4.3Å; V201-V235 HydrophobicContact CG2-CG1 3.86Å; V201-V235 HydrophobicContact CG2-CG2 4.04Å; V201-V253 HydrophobicContact CG2-CG2 4.09Å |
| 202 | Y | 95.6 | Very high | 90.5 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 18% | 0.184 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 151.2 | -179.5 | -74.6 | -85.6 | 0 | 0 | 0 | 110.8 | P148 F149 V151 E200 H210 D211 F212 | P148-Y202 CarbonylContact C-O 3.53Å; P148-Y202 WeakPolarHBondContact CA-O 3.46Å; F149-Y202 HydrophobicContact CE1-CG 4.35Å; F149-Y202 HydrophobicContact CE2-CD2 4.26Å; F149-Y202 HydrophobicContact CE2-CG 4.42Å; F149-Y202 HydrophobicContact CZ-CD2 4.22Å; F149-Y202 AromaticContact CZ-CG 3.94Å; F149-Y202 HydrophobicContact CZ-CG 3.94Å; F149-Y202 PolarHBondContact N-O 2.82Å; F149-Y202 PolarHBondContact O-N 3.47Å; V151-Y202 HydrophobicContact CB-CE2 4.46Å; V151-Y202 HydrophobicContact CG2-CD2 3.82Å; V151-Y202 HydrophobicContact CG2-CE2 4Å; E200-Y202 HydrophobicContact CB-CD2 4.08Å; E200-Y202 HydrophobicContact CB-CE2 3.48Å; E200-Y202 VanDerWaalsContact CB-CE2 3.48Å; E200-Y202 HydrophobicContact CG-CE2 4.41Å; E200-Y202 VanDerWaalsContact OE2-CE2 3.32Å; E200-Y202 WeakPolarHBondContact OE2-CE2 3.47Å; E200-Y202 PolarHBondContact OE2-OH 2.91Å; Y202-H210 HydrophobicContact CD1-CB 4.12Å; Y202-D211 CarbonylContact C-O 3.53Å; Y202-D211 WeakPolarHBondContact CA-O 3.46Å; Y202-F212 HydrophobicContact CD1-CB 4.23Å; Y202-F212 HydrophobicContact CD1-CD2 4.28Å; Y202-F212 HydrophobicContact CE1-CB 3.92Å; Y202-F212 AromaticContact CE1-CD2 3.76Å; Y202-F212 HydrophobicContact CE1-CD2 3.76Å; Y202-F212 HydrophobicContact CE1-CG 4.34Å; Y202-F212 HydrophobicContact CE2-CD2 4.38Å; Y202-F212 AromaticContact CZ-CD2 3.82Å |
| 203 | D | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 134.5 | 161 | -163.1 | 1 | 0 | 0 | 0 | 108.9 | K140 S146 D147 H210 D211 I213 | K140-D203 HydrophobicContact CB-CB 4.09Å; K140-D203 VanDerWaalsContact CB-OD2 3.25Å; K140-D203 WeakPolarHBondContact CB-OD2 3.32Å; K140-D203 HydrophobicContact CG-CB 4.01Å; S146-D203 WeakPolarHBondContact CA-OD1 3.43Å; S146-D203 VanDerWaalsContact CA-OD2 3.27Å; S146-D203 WeakPolarHBondContact CA-OD2 3.33Å; S146-D203 VanDerWaalsContact CB-CG 3.44Å; S146-D203 WeakPolarHBondContact CB-OD1 3.03Å; S146-D203 WeakPolarHBondContact CB-OD2 3.39Å; S146-D203 PolarHBondContact OG-OD2 3.39Å; D147-D203 WeakPolarHBondContact CA-OD1 3.3Å; D147-D203 PolarHBondContact N-OD1 2.96Å; D203-H210 CarbonylContact O-C 3.58Å; D203-H210 WeakPolarHBondContact O-CA 3.48Å; D203-H210 VanDerWaalsContact O-CB 3.3Å; D203-H210 WeakPolarHBondContact O-CB 3.4Å; D203-D211 HydrophobicContact CB-CB 3.91Å; D203-D211 PolarHBondContact N-O 2.93Å; D203-D211 PolarHBondContact O-N 3.38Å; D203-D211 VanDerWaalsContact O-N 3.14Å; D203-I213 HydrophobicContact CB-CD1 4.15Å; D203-I213 HydrophobicContact CB-CG1 4.3Å |
| 204 | W | 93.9 | Very high | 91 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | trans | -85.3 | 132 | -178.7 | -179.3 | 88.6 | 0 | 0 | 0 | 111.1 | D147 F149 V169 R206 H210 | D147-W204 HydrophobicContact CB-CB 4Å; D147-W204 WeakPolarHBondContact O-CB 3.21Å; D147-W204 PolarHBondContact O-N 2.76Å; D147-W204 VanDerWaalsContact O-N 3.08Å; F149-W204 HydrophobicContact CD1-CB 4.05Å; F149-W204 HydrophobicContact CE1-CB 4.04Å; V169-W204 HydrophobicContact CB-CB 4.44Å; V169-W204 HydrophobicContact CG1-CB 3.64Å; V169-W204 HydrophobicContact CG1-CG 4.04Å; V169-W204 HydrophobicContact CG2-CB 3.87Å; V169-W204 HydrophobicContact CG2-CG 3.83Å; W204-R206 HydrophobicContact CH2-CB 3.84Å; W204-R206 HydrophobicContact CH2-CG 4.03Å; W204-R206 HydrophobicContact CZ3-CB 4.12Å; W204-H210 AromaticContact CD1-CE1 3.2Å; W204-H210 AromaticContact CD1-ND1 3.83Å; W204-H210 AromaticContact CD1-NE2 3.67Å; W204-H210 AromaticContact CG-CE1 3.93Å; W204-H210 AromaticContact NE1-CE1 3.39Å; W204-H210 PolarHBondContact NE1-CE1 3.36Å; W204-H210 AromaticContact NE1-NE2 3.93Å | ||
| 205 | D | 86.1 | Confident | 91.1 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 16% | 0.16 | 24% | 0.241 | C | C | . | . | trans | -123 | 138.3 | -179.5 | -72.3 | -62.4 | 0 | 0 | 0 | 110.4 | D207 G208 H210 D211 | D205-D207 PolarHBondContact O-N 3.18Å; D205-G208 PolarHBondContact O-N 3.37Å; D205-G208 VanDerWaalsContact O-N 3.11Å; D205-H210 PolarHBondContact N-ND1 3.02Å; D205-H210 PolarHBondContact O-CE1 3.47Å; D205-H210 PolarHBondContact O-ND1 2.92Å; D205-H210 WeakPolarHBondContact OD2-CA 3.42Å; D205-D211 PolarHBondContact OD2-N 3.23Å | ||
| 206 | R | 79.4 | Confident | 91.3 | Very high | 233 Ų | 233 | 47.6 Ų | 47.6 | 88% | 0.879 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -26.5 | -174 | -169.3 | 176.2 | -172.7 | -168.2 | 2.4 | 113.8 | W204 G208 | W204-R206 HydrophobicContact CH2-CB 3.84Å; W204-R206 HydrophobicContact CH2-CG 4.03Å; W204-R206 HydrophobicContact CZ3-CB 4.12Å; R206-G208 VanDerWaalsContact C-N 3.31Å |
| 207 | D | 78.9 | Confident | 91.3 | Very high | 124 Ų | 124 | 47.9 Ų | 47.9 | 66% | 0.663 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -1.3 | -179.6 | 67.3 | 2.8 | 0 | 0 | 0 | 113.4 | D205 S209 | D205-D207 PolarHBondContact O-N 3.18Å; D207-S209 VanDerWaalsContact C-N 3.34Å; D207-S209 WeakPolarHBondContact OD1-CB 3.15Å; D207-S209 PolarHBondContact OD1-N 2.9Å; D207-S209 PolarHBondContact OD1-OG 3.32Å; D207-S209 PolarHBondContact OD2-OG 3.47Å; D207-S209 VanDerWaalsContact OD2-OG 3.13Å |
| 208 | G | 76.3 | Confident | 91.2 | Very high | 50 Ų | 50 | 48.2 Ų | 48.2 | 52% | 0.515 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 86 | -1.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D205 R206 H210 | D205-G208 PolarHBondContact O-N 3.37Å; D205-G208 VanDerWaalsContact O-N 3.11Å; R206-G208 VanDerWaalsContact C-N 3.31Å; G208-H210 PolarHBondContact O-N 3.25Å; G208-H210 VanDerWaalsContact O-N 3.13Å |
| 209 | S | 83.8 | Confident | 91.2 | Very high | 73 Ų | 73 | 47.1 Ų | 47.1 | 51% | 0.51 | 24% | 0.242 | S | C | . | . | trans | -88 | 46.1 | -179 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | D207 D211 | D207-S209 VanDerWaalsContact C-N 3.34Å; D207-S209 WeakPolarHBondContact OD1-CB 3.15Å; D207-S209 PolarHBondContact OD1-N 2.9Å; D207-S209 PolarHBondContact OD1-OG 3.32Å; D207-S209 PolarHBondContact OD2-OG 3.47Å; D207-S209 VanDerWaalsContact OD2-OG 3.13Å; S209-D211 PolarHBondContact O-N 3.07Å | ||
| 210 | H | 87.8 | Confident | 91 | Very high | 62 Ų | 62 | 47.6 Ų | 47.6 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | trans | -45.2 | 122.1 | -171.6 | -57.5 | -28.1 | 0 | 0 | 0 | 114.4 | F149 Y202 D203 W204 D205 G208 F212 | F149-H210 HydrophobicContact CE1-CB 4.28Å; F149-H210 HydrophobicContact CZ-CB 4.23Å; F149-H210 AromaticContact CZ-CD2 3.66Å; Y202-H210 HydrophobicContact CD1-CB 4.12Å; D203-H210 CarbonylContact O-C 3.58Å; D203-H210 WeakPolarHBondContact O-CA 3.48Å; D203-H210 VanDerWaalsContact O-CB 3.3Å; D203-H210 WeakPolarHBondContact O-CB 3.4Å; W204-H210 AromaticContact CD1-CE1 3.2Å; W204-H210 AromaticContact CD1-ND1 3.83Å; W204-H210 AromaticContact CD1-NE2 3.67Å; W204-H210 AromaticContact CG-CE1 3.93Å; W204-H210 AromaticContact NE1-CE1 3.39Å; W204-H210 PolarHBondContact NE1-CE1 3.36Å; W204-H210 AromaticContact NE1-NE2 3.93Å; D205-H210 PolarHBondContact N-ND1 3.02Å; D205-H210 PolarHBondContact O-CE1 3.47Å; D205-H210 PolarHBondContact O-ND1 2.92Å; D205-H210 WeakPolarHBondContact OD2-CA 3.42Å; G208-H210 PolarHBondContact O-N 3.25Å; G208-H210 VanDerWaalsContact O-N 3.13Å; H210-F212 PolarHBondContact O-N 3.44Å | ||
| 211 | D | 89.3 | Confident | 90.8 | Very high | 70 Ų | 70 | 52.9 Ų | 52.9 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 119.9 | -177.3 | -101.3 | -27.2 | 0 | 0 | 0 | 113 | K140 Y202 D203 D205 S209 I213 | K140-D211 HydrophobicContact CB-CB 3.9Å; K140-D211 WeakPolarHBondContact CB-OD2 2.97Å; K140-D211 HydrophobicContact CG-CB 3.99Å; Y202-D211 CarbonylContact C-O 3.53Å; Y202-D211 WeakPolarHBondContact CA-O 3.46Å; D203-D211 HydrophobicContact CB-CB 3.91Å; D203-D211 PolarHBondContact N-O 2.93Å; D203-D211 PolarHBondContact O-N 3.38Å; D203-D211 VanDerWaalsContact O-N 3.14Å; D205-D211 PolarHBondContact OD2-N 3.23Å; S209-D211 PolarHBondContact O-N 3.07Å; D211-I213 PolarHBondContact O-N 3.13Å |
| 212 | F | 92.2 | Very high | 90.7 | Very high | 54 Ų | 54 | 57.2 Ų | 57.2 | 24% | 0.237 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 116.8 | 179.5 | -179.4 | -113.1 | 0 | 0 | 0 | 112.2 | K140 E200 Y202 H210 G214 E215 N237 | K140-F212 VanDerWaalsContact CE-O 3.31Å; K140-F212 WeakPolarHBondContact CE-O 3.23Å; K140-F212 PolarHBondContact NZ-O 2.97Å; E200-F212 HydrophobicContact CB-CE2 4.05Å; E200-F212 HydrophobicContact CG-CE2 4.02Å; Y202-F212 HydrophobicContact CD1-CB 4.23Å; Y202-F212 HydrophobicContact CD1-CD2 4.28Å; Y202-F212 HydrophobicContact CE1-CB 3.92Å; Y202-F212 AromaticContact CE1-CD2 3.76Å; Y202-F212 HydrophobicContact CE1-CD2 3.76Å; Y202-F212 HydrophobicContact CE1-CG 4.34Å; Y202-F212 HydrophobicContact CE2-CD2 4.38Å; Y202-F212 AromaticContact CZ-CD2 3.82Å; H210-F212 PolarHBondContact O-N 3.44Å; F212-G214 WeakPolarHBondContact CE2-O 3.4Å; F212-G214 VanDerWaalsContact CZ-CA 3.41Å; F212-E215 HydrophobicContact CE2-CB 4.28Å; F212-E215 HydrophobicContact CZ-CB 3.89Å; F212-E215 HydrophobicContact CZ-CG 4.09Å; F212-N237 PolarHBondContact O-ND2 3.34Å |
| 213 | I | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -52.6 | 176 | -65.8 | 175.3 | 0 | 0 | 0 | 109.8 | D138 K140 P148 V201 D203 D211 V235 N237 | D138-I213 HydrophobicContact CB-CG2 4.27Å; K140-I213 HydrophobicContact CG-CG1 4.02Å; P148-I213 HydrophobicContact CB-CD1 4.32Å; V201-I213 HydrophobicContact CB-CB 4.13Å; V201-I213 HydrophobicContact CB-CG2 4.39Å; V201-I213 HydrophobicContact CG1-CB 4.14Å; V201-I213 HydrophobicContact CG1-CD1 4.14Å; V201-I213 HydrophobicContact CG1-CG2 4.28Å; V201-I213 WeakPolarHBondContact O-CA 3.03Å; V201-I213 WeakPolarHBondContact O-CB 3.23Å; V201-I213 PolarHBondContact O-N 3.12Å; D203-I213 HydrophobicContact CB-CD1 4.15Å; D203-I213 HydrophobicContact CB-CG1 4.3Å; D211-I213 PolarHBondContact O-N 3.13Å; I213-V235 HydrophobicContact CG2-CG1 4.3Å; I213-N237 WeakPolarHBondContact O-CB 3.21Å; I213-N237 PolarHBondContact O-ND2 3.47Å |
| 214 | G | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -174 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V201 F212 R236 | V201-G214 PolarHBondContact N-O 3.39Å; V201-G214 PolarHBondContact O-N 3.12Å; F212-G214 WeakPolarHBondContact CE2-O 3.4Å; F212-G214 VanDerWaalsContact CZ-CA 3.41Å; G214-R236 CarbonylContact C-O 3.59Å; G214-R236 WeakPolarHBondContact CA-O 3.36Å |
| 215 | E | 95.6 | Very high | 90.3 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 20% | 0.201 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 162.9 | -176.9 | 65 | -178.1 | -169.5 | 0 | 0 | 112.3 | K198 V199 E200 F212 R236 N238 | K198-E215 IonicContact NZ-OE2 3.62Å; V199-E215 CarbonylContact O-C 3.52Å; V199-E215 WeakPolarHBondContact O-CA 3.43Å; V199-E215 WeakPolarHBondContact O-CB 3.49Å; E200-E215 HydrophobicContact CG-CB 4.07Å; F212-E215 HydrophobicContact CE2-CB 4.28Å; F212-E215 HydrophobicContact CZ-CB 3.89Å; F212-E215 HydrophobicContact CZ-CG 4.09Å; E215-R236 PolarHBondContact N-O 2.93Å; E215-R236 PolarHBondContact O-N 3.35Å; E215-N238 PolarHBondContact OE1-ND2 2.94Å |
| 216 | F | 95.3 | Very high | 90.2 | Very high | 15 Ų | 15 | 57.5 Ų | 57.5 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 166 | 164.4 | 65.6 | -87.9 | 0 | 0 | 0 | 110 | V199 Y233 V253 | V199-F216 HydrophobicContact CB-CD1 4.08Å; V199-F216 HydrophobicContact CB-CD2 4.29Å; V199-F216 HydrophobicContact CB-CE1 3.58Å; V199-F216 HydrophobicContact CB-CE2 3.82Å; V199-F216 HydrophobicContact CB-CG 4.42Å; V199-F216 HydrophobicContact CB-CZ 3.44Å; V199-F216 VanDerWaalsContact CB-CZ 3.44Å; V199-F216 HydrophobicContact CG1-CD1 4.5Å; V199-F216 HydrophobicContact CG1-CE1 3.65Å; V199-F216 HydrophobicContact CG1-CE2 4.49Å; V199-F216 HydrophobicContact CG1-CZ 3.66Å; V199-F216 HydrophobicContact CG2-CD2 4.43Å; V199-F216 HydrophobicContact CG2-CE1 4.34Å; V199-F216 HydrophobicContact CG2-CE2 3.73Å; V199-F216 HydrophobicContact CG2-CZ 3.69Å; V199-F216 PolarHBondContact N-O 3.23Å; V199-F216 PolarHBondContact O-N 3.29Å; F216-Y233 VanDerWaalsContact CD2-CB 3.46Å; F216-Y233 AromaticContact CD2-CD1 3.5Å; F216-Y233 HydrophobicContact CD2-CD1 3.5Å; F216-Y233 VanDerWaalsContact CD2-CD1 3.5Å; F216-Y233 AromaticContact CD2-CD2 3.85Å; F216-Y233 HydrophobicContact CD2-CD2 3.85Å; F216-Y233 HydrophobicContact CD2-CE1 4.16Å; F216-Y233 HydrophobicContact CD2-CE2 4.47Å; F216-Y233 AromaticContact CD2-CG 3.3Å; F216-Y233 HydrophobicContact CD2-CG 3.3Å; F216-Y233 AromaticContact CE2-CD1 3.85Å; F216-Y233 HydrophobicContact CE2-CD1 3.85Å; F216-Y233 AromaticContact CE2-CD2 3.39Å; F216-Y233 HydrophobicContact CE2-CD2 3.39Å; F216-Y233 HydrophobicContact CE2-CE1 4.23Å; F216-Y233 AromaticContact CE2-CE2 3.82Å; F216-Y233 HydrophobicContact CE2-CE2 3.82Å; F216-Y233 AromaticContact CE2-CG 3.4Å; F216-Y233 HydrophobicContact CE2-CG 3.4Å; F216-Y233 HydrophobicContact CG-CD1 4.33Å; F216-Y233 AromaticContact CG-CG 3.94Å; F216-Y233 HydrophobicContact CG-CG 3.94Å; F216-Y233 AromaticContact CZ-CD2 3.84Å; F216-Y233 HydrophobicContact CZ-CD2 3.84Å; F216-Y233 HydrophobicContact CZ-CE2 4.45Å; F216-Y233 HydrophobicContact CZ-CG 4.09Å; F216-V253 HydrophobicContact CD1-CB 4.48Å; F216-V253 HydrophobicContact CE1-CB 3.72Å; F216-V253 HydrophobicContact CE1-CG1 3.82Å; F216-V253 HydrophobicContact CE1-CG2 4.07Å; F216-V253 HydrophobicContact CZ-CB 4.17Å; F216-V253 HydrophobicContact CZ-CG1 3.85Å |
| 217 | S | 95.5 | Very high | 90.3 | Very high | 70 Ų | 70 | 53.6 Ų | 53.6 | 49% | 0.49 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.6 | 176 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | I197 | I197-S217 CarbonylContact O-C 3.48Å; I197-S217 VanDerWaalsContact O-CA 3.31Å; I197-S217 WeakPolarHBondContact O-CA 3.41Å |
| 218 | T | 95.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -179.7 | 177.3 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | I197 E222 L223 Y233 | I197-T218 HydrophobicContact CB-CG2 4.02Å; I197-T218 HydrophobicContact CG2-CG2 4.31Å; I197-T218 PolarHBondContact N-O 2.73Å; I197-T218 PolarHBondContact O-N 3.26Å; T218-E222 WeakPolarHBondContact CA-OE2 3.46Å; T218-E222 PolarHBondContact OG1-OE2 3.04Å; T218-L223 HydrophobicContact CG2-CD1 3.87Å; T218-L223 HydrophobicContact CG2-CD2 4.16Å; T218-L223 HydrophobicContact CG2-CG 3.92Å; T218-Y233 PolarHBondContact OG1-OH 3.01Å |
| 219 | S | 95.7 | Very high | 90.5 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | trans | -125.9 | 168.6 | 164.7 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | R221 E222 L223 | S219-R221 VanDerWaalsContact C-N 3.25Å; S219-R221 PolarHBondContact O-N 3.34Å; S219-E222 PolarHBondContact N-OE2 3.4Å; S219-E222 PolarHBondContact O-N 3Å; S219-E222 WeakPolarHBondContact OG-CG 3.26Å; S219-E222 PolarHBondContact OG-N 2.97Å; S219-L223 WeakPolarHBondContact O-CG 3.24Å; S219-L223 PolarHBondContact O-N 3.48Å | ||
| 220 | Y | 93.9 | Very high | 90.2 | Very high | 10 Ų | 10 | 57.8 Ų | 57.8 | 4% | 0.039 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 171.1 | 176.4 | -89.5 | 0 | 0 | 0 | 110.8 | E126 V128 V185 L188 Y193 E222 L223 S224 F258 | E126-Y220 PolarHBondContact OE2-OH 2.98Å; V128-Y220 HydrophobicContact CG1-CD2 4.22Å; V128-Y220 HydrophobicContact CG1-CE2 3.42Å; V128-Y220 VanDerWaalsContact CG1-CE2 3.42Å; V185-Y220 HydrophobicContact CB-CE2 4.43Å; V185-Y220 HydrophobicContact CG1-CD2 4.27Å; V185-Y220 HydrophobicContact CG1-CE2 4.08Å; V185-Y220 HydrophobicContact CG2-CD2 4.19Å; V185-Y220 HydrophobicContact CG2-CE2 3.46Å; V185-Y220 VanDerWaalsContact CG2-CE2 3.46Å; L188-Y220 HydrophobicContact CD2-CD2 4.33Å; Y193-Y220 AromaticContact CD1-CD1 3.84Å; Y193-Y220 HydrophobicContact CD1-CD1 3.84Å; Y193-Y220 HydrophobicContact CD1-CE1 4.17Å; Y193-Y220 HydrophobicContact CD1-CG 4.31Å; Y193-Y220 AromaticContact CD2-CD1 3.74Å; Y193-Y220 HydrophobicContact CD2-CD1 3.74Å; Y193-Y220 AromaticContact CD2-CE1 3.72Å; Y193-Y220 HydrophobicContact CD2-CE1 3.72Å; Y193-Y220 HydrophobicContact CE1-CD1 4.33Å; Y193-Y220 HydrophobicContact CE1-CE1 4.22Å; Y193-Y220 HydrophobicContact CE2-CD1 4.21Å; Y193-Y220 AromaticContact CE2-CE1 3.73Å; Y193-Y220 HydrophobicContact CE2-CE1 3.73Å; Y193-Y220 AromaticContact CG-CD1 3.53Å; Y193-Y220 HydrophobicContact CG-CD1 3.53Å; Y193-Y220 AromaticContact CG-CE1 3.95Å; Y193-Y220 HydrophobicContact CG-CE1 3.95Å; Y193-Y220 HydrophobicContact CG-CG 4.34Å; Y193-Y220 AromaticContact CZ-CE1 4Å; Y193-Y220 PolarHBondContact O-N 3.12Å; Y220-E222 VanDerWaalsContact C-N 3.32Å; Y220-E222 PolarHBondContact O-N 3.05Å; Y220-L223 PolarHBondContact O-N 3.45Å; Y220-S224 VanDerWaalsContact O-CB 3.3Å; Y220-S224 WeakPolarHBondContact O-CB 3.41Å; Y220-S224 PolarHBondContact O-N 3.45Å; Y220-F258 HydrophobicContact CD2-CZ 4.12Å; Y220-F258 AromaticContact CE2-CZ 3.79Å; Y220-F258 HydrophobicContact CE2-CZ 3.79Å |
| 221 | R | 93.4 | Very high | 90.4 | Very high | 127 Ų | 127 | 54.9 Ų | 54.9 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.8 | -44 | 178.5 | -172.5 | 179.2 | -57.5 | -73.5 | -1.3 | 111.8 | Y193 D194 S219 S224 | Y193-R221 WeakPolarHBondContact O-CB 3.36Å; Y193-R221 PolarHBondContact O-N 3.42Å; D194-R221 WeakPolarHBondContact OD1-CD 3.35Å; D194-R221 IonicContact OD1-CZ 3.68Å; D194-R221 IonicContact OD1-NE 2.8Å; D194-R221 PolarHBondContact OD1-NE 3.02Å; D194-R221 IonicContact OD1-NH2 3.51Å; D194-R221 IonicContact OD2-CZ 3.98Å; D194-R221 IonicContact OD2-NE 3.55Å; D194-R221 PolarHBondContact OD2-NE 3.44Å; D194-R221 IonicContact OD2-NH2 3.97Å; D194-R221 PolarHBondContact OD2-NH2 3.41Å; S219-R221 VanDerWaalsContact C-N 3.25Å; S219-R221 PolarHBondContact O-N 3.34Å; R221-S224 PolarHBondContact O-N 2.95Å; R221-S224 PolarHBondContact O-OG 3.15Å |
| 222 | E | 93.8 | Very high | 90.6 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 42% | 0.421 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.6 | -47.9 | 176.7 | -71.2 | 170.5 | 162.3 | 0 | 0 | 112.1 | T218 S219 Y220 S224 I225 N231 | T218-E222 WeakPolarHBondContact CA-OE2 3.46Å; T218-E222 PolarHBondContact OG1-OE2 3.04Å; S219-E222 PolarHBondContact N-OE2 3.4Å; S219-E222 PolarHBondContact O-N 3Å; S219-E222 WeakPolarHBondContact OG-CG 3.26Å; S219-E222 PolarHBondContact OG-N 2.97Å; Y220-E222 VanDerWaalsContact C-N 3.32Å; Y220-E222 PolarHBondContact O-N 3.05Å; E222-S224 PolarHBondContact O-N 3.04Å; E222-I225 VanDerWaalsContact O-CB 3.3Å; E222-I225 WeakPolarHBondContact O-CB 3.23Å; E222-I225 WeakPolarHBondContact O-CG1 3.45Å; E222-I225 PolarHBondContact O-N 3.07Å; E222-I225 VanDerWaalsContact O-N 3.12Å; E222-N231 PolarHBondContact O-ND2 3.48Å; E222-N231 PolarHBondContact O-OD1 3.13Å |
| 223 | L | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.1 | -36.8 | 177 | -69.6 | 168.6 | 0 | 0 | 0 | 111.7 | M130 F132 I197 T218 S219 Y220 I225 G226 N231 Y233 L255 F258 | M130-L223 HydrophobicContact SD-CD1 4.02Å; F132-L223 HydrophobicContact CE1-CD2 4.38Å; F132-L223 HydrophobicContact CZ-CD2 3.97Å; I197-L223 HydrophobicContact CD1-CD1 3.94Å; T218-L223 HydrophobicContact CG2-CD1 3.87Å; T218-L223 HydrophobicContact CG2-CD2 4.16Å; T218-L223 HydrophobicContact CG2-CG 3.92Å; S219-L223 WeakPolarHBondContact O-CG 3.24Å; S219-L223 PolarHBondContact O-N 3.48Å; Y220-L223 PolarHBondContact O-N 3.45Å; L223-I225 PolarHBondContact O-N 3.3Å; L223-I225 VanDerWaalsContact O-N 3.15Å; L223-G226 PolarHBondContact O-N 3.09Å; L223-N231 PolarHBondContact O-ND2 2.87Å; L223-Y233 HydrophobicContact CD2-CE2 4.48Å; L223-Y233 VanDerWaalsContact CD2-OH 3.31Å; L223-Y233 WeakPolarHBondContact CD2-OH 3.47Å; L223-L255 HydrophobicContact CB-CD2 4.42Å; L223-L255 HydrophobicContact CD2-CD1 4.33Å; L223-L255 HydrophobicContact CD2-CD2 3.85Å; L223-L255 WeakPolarHBondContact O-CD2 3.22Å; L223-F258 HydrophobicContact CB-CD2 3.77Å; L223-F258 HydrophobicContact CB-CE2 3.45Å; L223-F258 VanDerWaalsContact CB-CE2 3.45Å; L223-F258 HydrophobicContact CB-CZ 4.24Å; L223-F258 WeakPolarHBondContact O-CD2 3.37Å; L223-F258 WeakPolarHBondContact O-CG 3.45Å |
| 224 | S | 92.2 | Very high | 90.7 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14.3 | -179.3 | 77.9 | 0 | 0 | 0 | 0 | 114.9 | Y220 R221 E222 G226 F258 | Y220-S224 VanDerWaalsContact O-CB 3.3Å; Y220-S224 WeakPolarHBondContact O-CB 3.41Å; Y220-S224 PolarHBondContact O-N 3.45Å; R221-S224 PolarHBondContact O-N 2.95Å; R221-S224 PolarHBondContact O-OG 3.15Å; E222-S224 PolarHBondContact O-N 3.04Å; S224-G226 PolarHBondContact O-N 3.44Å; S224-F258 VanDerWaalsContact CA-CE1 3.47Å |
| 225 | I | 89.4 | Confident | 90.7 | Very high | 102 Ų | 102 | 57.2 Ų | 57.2 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.5 | 170.4 | -57.2 | 171.3 | 0 | 0 | 0 | 110.7 | E222 L223 | E222-I225 VanDerWaalsContact O-CB 3.3Å; E222-I225 WeakPolarHBondContact O-CB 3.23Å; E222-I225 WeakPolarHBondContact O-CG1 3.45Å; E222-I225 PolarHBondContact O-N 3.07Å; E222-I225 VanDerWaalsContact O-N 3.12Å; L223-I225 PolarHBondContact O-N 3.3Å; L223-I225 VanDerWaalsContact O-N 3.15Å |
| 226 | G | 83.6 | Confident | 90.3 | Very high | 12 Ų | 12 | 61 Ų | 61 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | trans | 79.2 | -156.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L223 S224 S228 N231 | L223-G226 PolarHBondContact O-N 3.09Å; S224-G226 PolarHBondContact O-N 3.44Å; G226-S228 PolarHBondContact O-N 3.34Å; G226-N231 PolarHBondContact O-ND2 2.69Å | ||
| 227 | Q | 81 | Confident | 89.9 | Confident | 151 Ų | 151 | 60.4 Ų | 60.4 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -63.4 | 108.4 | 178 | -71.2 | 179.3 | 16.1 | 0 | 0 | 110.1 | L256 | Q227-L256 WeakPolarHBondContact CG-O 3.4Å; Q227-L256 PolarHBondContact NE2-O 2.91Å |
| 228 | S | 81.1 | Confident | 88.8 | Confident | 37 Ų | 37 | 61.2 Ų | 61.2 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -157.9 | 167.1 | 174 | 76 | 0 | 0 | 0 | 0 | 110.6 | G226 F230 N231 | G226-S228 PolarHBondContact O-N 3.34Å; S228-F230 PolarHBondContact O-N 3.36Å; S228-F230 WeakPolarHBondContact OG-CB 3.38Å; S228-F230 PolarHBondContact OG-N 2.98Å; S228-F230 VanDerWaalsContact OG-N 3.16Å; S228-N231 PolarHBondContact O-N 2.79Å |
| 229 | Q | 79.1 | Confident | 87.3 | Confident | 156 Ų | 156 | 64.5 Ų | 64.5 | 73% | 0.729 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -57 | -19.8 | 171.3 | 66.7 | -175.4 | 5.4 | 0 | 0 | 113.4 | N231 | Q229-N231 VanDerWaalsContact C-N 3.34Š|
| 230 | F | 78.1 | Confident | 85.6 | Confident | 142 Ų | 142 | 66.6 Ų | 66.6 | 62% | 0.623 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -78.6 | -17.6 | 178.4 | -59.5 | -74.5 | 0 | 0 | 0 | 113 | S228 | S228-F230 PolarHBondContact O-N 3.36Å; S228-F230 WeakPolarHBondContact OG-CB 3.38Å; S228-F230 PolarHBondContact OG-N 2.98Å; S228-F230 VanDerWaalsContact OG-N 3.16Å |
| 231 | N | 91.4 | Very high | 83.8 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -106.3 | 39.6 | 176.1 | -69.1 | -31.4 | 0 | 0 | 0 | 111.7 | E222 L223 G226 S228 Q229 Y233 T254 L255 | E222-N231 PolarHBondContact O-ND2 3.48Å; E222-N231 PolarHBondContact O-OD1 3.13Å; L223-N231 PolarHBondContact O-ND2 2.87Å; G226-N231 PolarHBondContact O-ND2 2.69Å; S228-N231 PolarHBondContact O-N 2.79Å; Q229-N231 VanDerWaalsContact C-N 3.34Å; N231-Y233 HydrophobicContact CB-CE2 4.26Å; N231-Y233 PolarHBondContact OD1-OH 3.23Å; N231-T254 WeakPolarHBondContact O-CA 3.46Å; N231-L255 HydrophobicContact CB-CB 3.71Å; N231-L255 HydrophobicContact CB-CD2 3.97Å; N231-L255 PolarHBondContact O-N 3.02Å |
| 232 | V | 94 | Very high | 81.9 | Confident | 65 Ų | 65 | 67.2 Ų | 67.2 | 39% | 0.394 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 110.4 | 167.9 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | T252 T254 | V232-T252 HydrophobicContact CG1-CG2 4.45Å; V232-T254 HydrophobicContact CG2-CG2 3.98Å |
| 233 | Y | 94.6 | Very high | 80 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.1 | -172.6 | -52.8 | -82.8 | 0 | 0 | 0 | 110.7 | F132 F216 T218 L223 N231 V235 T252 V253 | F132-Y233 HydrophobicContact CE1-CE2 4.42Å; F216-Y233 VanDerWaalsContact CD2-CB 3.46Å; F216-Y233 AromaticContact CD2-CD1 3.5Å; F216-Y233 HydrophobicContact CD2-CD1 3.5Å; F216-Y233 VanDerWaalsContact CD2-CD1 3.5Å; F216-Y233 AromaticContact CD2-CD2 3.85Å; F216-Y233 HydrophobicContact CD2-CD2 3.85Å; F216-Y233 HydrophobicContact CD2-CE1 4.16Å; F216-Y233 HydrophobicContact CD2-CE2 4.47Å; F216-Y233 AromaticContact CD2-CG 3.3Å; F216-Y233 HydrophobicContact CD2-CG 3.3Å; F216-Y233 AromaticContact CE2-CD1 3.85Å; F216-Y233 HydrophobicContact CE2-CD1 3.85Å; F216-Y233 AromaticContact CE2-CD2 3.39Å; F216-Y233 HydrophobicContact CE2-CD2 3.39Å; F216-Y233 HydrophobicContact CE2-CE1 4.23Å; F216-Y233 AromaticContact CE2-CE2 3.82Å; F216-Y233 HydrophobicContact CE2-CE2 3.82Å; F216-Y233 AromaticContact CE2-CG 3.4Å; F216-Y233 HydrophobicContact CE2-CG 3.4Å; F216-Y233 HydrophobicContact CG-CD1 4.33Å; F216-Y233 AromaticContact CG-CG 3.94Å; F216-Y233 HydrophobicContact CG-CG 3.94Å; F216-Y233 AromaticContact CZ-CD2 3.84Å; F216-Y233 HydrophobicContact CZ-CD2 3.84Å; F216-Y233 HydrophobicContact CZ-CE2 4.45Å; F216-Y233 HydrophobicContact CZ-CG 4.09Å; T218-Y233 PolarHBondContact OG1-OH 3.01Å; L223-Y233 HydrophobicContact CD2-CE2 4.48Å; L223-Y233 VanDerWaalsContact CD2-OH 3.31Å; L223-Y233 WeakPolarHBondContact CD2-OH 3.47Å; N231-Y233 HydrophobicContact CB-CE2 4.26Å; N231-Y233 PolarHBondContact OD1-OH 3.23Å; Y233-V235 PolarHBondContact O-N 3.26Å; Y233-T252 CarbonylContact O-C 3.54Å; Y233-T252 WeakPolarHBondContact O-CA 3.4Å; Y233-T252 WeakPolarHBondContact O-CB 3.45Å; Y233-V253 WeakPolarHBondContact CD2-O 3.44Å; Y233-V253 PolarHBondContact N-O 2.76Å; Y233-V253 PolarHBondContact O-N 2.9Å |
| 234 | E | 93.3 | Very high | 78.1 | Confident | 86 Ų | 86 | 78 Ų | 78 | 40% | 0.402 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 124.4 | 167.9 | -62.1 | -167.6 | 130.7 | 0 | 0 | 110 | R236 N249 | E234-R236 PolarHBondContact O-N 3.45Å; E234-R236 IonicContact OE2-CZ 2.57Å; E234-R236 IonicContact OE2-NE 2.96Å; E234-R236 IonicContact OE2-NH2 3.75Å; E234-R236 PolarHBondContact OE2-NH2 3.36Å; E234-N249 PolarHBondContact OE1-ND2 3.19Å |
| 235 | V | 92.4 | Very high | 76.3 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119.1 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | L137 V201 I213 Y233 S250 G251 V253 | L137-V235 HydrophobicContact CD2-CG2 4.14Å; V201-V235 HydrophobicContact CB-CG1 4.3Å; V201-V235 HydrophobicContact CG2-CG1 3.86Å; V201-V235 HydrophobicContact CG2-CG2 4.04Å; I213-V235 HydrophobicContact CG2-CG1 4.3Å; Y233-V235 PolarHBondContact O-N 3.26Å; V235-S250 PolarHBondContact O-N 2.78Å; V235-G251 WeakPolarHBondContact CB-O 3.47Å; V235-G251 PolarHBondContact N-O 3Å; V235-V253 HydrophobicContact CG2-CB 4.35Å; V235-V253 HydrophobicContact CG2-CG2 3.67Å |
| 236 | R | 89 | Confident | 74.4 | Confident | 123 Ų | 123 | 85.8 Ų | 85.8 | 46% | 0.464 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136 | -174.4 | -66.4 | -179.1 | 178.4 | 168.7 | 2.7 | 111.1 | G214 E215 E234 | G214-R236 CarbonylContact C-O 3.59Å; G214-R236 WeakPolarHBondContact CA-O 3.36Å; E215-R236 PolarHBondContact N-O 2.93Å; E215-R236 PolarHBondContact O-N 3.35Å; E234-R236 PolarHBondContact O-N 3.45Å; E234-R236 IonicContact OE2-CZ 2.57Å; E234-R236 IonicContact OE2-NE 2.96Å; E234-R236 IonicContact OE2-NH2 3.75Å; E234-R236 PolarHBondContact OE2-NH2 3.36Å |
| 237 | N | 85.1 | Confident | 73 | Confident | 2 Ų | 2 | 89.8 Ų | 89.8 | 1% | 0.011 | 45% | 0.453 | C | S | . | . | trans | -114.9 | 103.5 | 175.9 | -165.1 | -37.4 | 0 | 0 | 0 | 110.8 | F212 I213 S239 K240 I241 | F212-N237 PolarHBondContact O-ND2 3.34Å; I213-N237 WeakPolarHBondContact O-CB 3.21Å; I213-N237 PolarHBondContact O-ND2 3.47Å; N237-S239 PolarHBondContact O-N 3.03Å; N237-S239 WeakPolarHBondContact OD1-CB 3.45Å; N237-S239 PolarHBondContact OD1-N 3.44Å; N237-S239 VanDerWaalsContact OD1-N 3.12Å; N237-S239 PolarHBondContact OD1-OG 2.75Å; N237-K240 HydrophobicContact CB-CD 4.33Å; N237-K240 HydrophobicContact CB-CG 4.29Å; N237-K240 PolarHBondContact O-N 3Å; N237-K240 VanDerWaalsContact O-N 3.12Å; N237-I241 PolarHBondContact O-N 2.95Å | ||
| 238 | N | 72.9 | Confident | 72.1 | Confident | 87 Ų | 87 | 84.7 Ų | 84.7 | 47% | 0.465 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.9 | -26.5 | -176.7 | -65.4 | -26.7 | 0 | 0 | 0 | 112.9 | E215 K240 I241 A242 | E215-N238 PolarHBondContact OE1-ND2 2.94Å; N238-K240 VanDerWaalsContact C-N 3.3Å; N238-K240 PolarHBondContact O-N 3.34Å; N238-I241 WeakPolarHBondContact O-CB 3.45Å; N238-I241 PolarHBondContact O-N 2.96Å; N238-I241 WeakPolarHBondContact OD1-CD1 3.33Å; N238-A242 PolarHBondContact O-N 2.94Å |
| 239 | S | 64.6 | Low | 71.8 | Confident | 75 Ų | 75 | 85.9 Ų | 85.9 | 52% | 0.524 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.7 | -30.4 | 176.2 | 71.7 | 0 | 0 | 0 | 0 | 112.8 | N237 | N237-S239 PolarHBondContact O-N 3.03Å; N237-S239 WeakPolarHBondContact OD1-CB 3.45Å; N237-S239 PolarHBondContact OD1-N 3.44Å; N237-S239 VanDerWaalsContact OD1-N 3.12Å; N237-S239 PolarHBondContact OD1-OG 2.75Å |
| 240 | K | 59.3 | Low | 72.2 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 24% | 0.235 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -76.6 | -27.2 | 174 | -66.7 | -173.6 | 179 | -179.5 | 0 | 112.7 | D138 N237 N238 Q243 K244 V248 | D138-K240 IonicContact OD2-NZ 2.87Å; D138-K240 PolarHBondContact OD2-NZ 3.44Å; N237-K240 HydrophobicContact CB-CD 4.33Å; N237-K240 HydrophobicContact CB-CG 4.29Å; N237-K240 PolarHBondContact O-N 3Å; N237-K240 VanDerWaalsContact O-N 3.12Å; N238-K240 VanDerWaalsContact C-N 3.3Å; N238-K240 PolarHBondContact O-N 3.34Å; K240-Q243 PolarHBondContact O-N 3.3Å; K240-K244 PolarHBondContact O-N 3.25Å; K240-K244 VanDerWaalsContact O-N 3.11Å; K240-V248 HydrophobicContact CB-CB 4.42Å; K240-V248 HydrophobicContact CB-CG2 4.38Å; K240-V248 HydrophobicContact CD-CB 4.25Å; K240-V248 HydrophobicContact CD-CG1 4.2Å |
| 241 | I | 56.1 | Low | 72.9 | Confident | 61 Ų | 61 | 72 Ų | 72 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.9 | -60.5 | 178.7 | 0 | 0 | 0 | 109.9 | N237 N238 Q243 N245 | N237-I241 PolarHBondContact O-N 2.95Å; N238-I241 WeakPolarHBondContact O-CB 3.45Å; N238-I241 PolarHBondContact O-N 2.96Å; N238-I241 WeakPolarHBondContact OD1-CD1 3.33Å; I241-Q243 VanDerWaalsContact C-N 3.28Å; I241-Q243 PolarHBondContact O-N 3.42Å; I241-N245 PolarHBondContact O-N 2.89Å |
| 242 | A | 53.7 | Low | 73.1 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 74% | 0.736 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.8 | -27.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N238 | N238-A242 PolarHBondContact O-N 2.94Å |
| 243 | Q | 54.6 | Low | 73.2 | Confident | 164 Ų | 164 | 70.4 Ų | 70.4 | 77% | 0.766 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -93.7 | -25.6 | -176.9 | -73.5 | -175.2 | -6.2 | 0 | 0 | 114.8 | K240 I241 | K240-Q243 PolarHBondContact O-N 3.3Å; I241-Q243 VanDerWaalsContact C-N 3.28Å; I241-Q243 PolarHBondContact O-N 3.42Å |
| 244 | K | 55.4 | Low | 73.3 | Confident | 152 Ų | 152 | 70.9 Ų | 70.9 | 66% | 0.661 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -126 | 2 | -169 | -73.1 | -172.3 | 176.7 | 179.6 | 0 | 116.1 | K240 K246 | K240-K244 PolarHBondContact O-N 3.25Å; K240-K244 VanDerWaalsContact O-N 3.11Å; K244-K246 PolarHBondContact O-N 2.88Å |
| 245 | N | 52.8 | Low | 73.5 | Confident | 163 Ų | 163 | 66.9 Ų | 66.9 | 87% | 0.872 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 49.9 | 24.2 | -178.6 | -89.5 | -10.1 | 0 | 0 | 0 | 114.2 | I241 | I241-N245 PolarHBondContact O-N 2.89Š|
| 246 | K | 51 | Low | 73.6 | Confident | 161 Ų | 161 | 69.4 Ų | 69.4 | 70% | 0.7 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -141.7 | 131.8 | -178.4 | -148 | 175 | -174.1 | -179.7 | 0 | 108.2 | K244 V248 | K244-K246 PolarHBondContact O-N 2.88Å; K246-V248 PolarHBondContact O-N 3.31Å; K246-V248 VanDerWaalsContact O-N 3.07Å |
| 247 | V | 54 | Low | 73.8 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 58% | 0.576 | 35% | 0.351 | S | S | * | . | trans | -64 | 110.1 | 173.5 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 248 | V | 62.5 | Low | 74.2 | Confident | 44 Ų | 44 | 66 Ų | 66 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | trans | -95.7 | 103.9 | 176.7 | -174.7 | 0 | 0 | 0 | 0 | 107.5 | K240 K246 S250 | K240-V248 HydrophobicContact CB-CB 4.42Å; K240-V248 HydrophobicContact CB-CG2 4.38Å; K240-V248 HydrophobicContact CD-CB 4.25Å; K240-V248 HydrophobicContact CD-CG1 4.2Å; K246-V248 PolarHBondContact O-N 3.31Å; K246-V248 VanDerWaalsContact O-N 3.07Å; V248-S250 PolarHBondContact O-N 2.79Å; V248-S250 PolarHBondContact O-OG 2.9Å | ||
| 249 | N | 73.3 | Confident | 75.1 | Confident | 63 Ų | 63 | 67 Ų | 67 | 34% | 0.337 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 119.3 | 167.8 | 178.7 | -39.5 | 0 | 0 | 0 | 107.7 | E234 G251 | E234-N249 PolarHBondContact OE1-ND2 3.19Å; N249-G251 VanDerWaalsContact C-N 3.28Å; N249-G251 VanDerWaalsContact OD1-C 3.3Å; N249-G251 WeakPolarHBondContact OD1-CA 3.25Å; N249-G251 PolarHBondContact OD1-N 3.37Å; N249-G251 PolarHBondContact OD1-O 2.68Å |
| 250 | S | 87.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 29.6 | -176 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | L137 D138 V235 V248 | L137-S250 WeakPolarHBondContact CA-O 3.27Å; D138-S250 PolarHBondContact N-O 2.69Å; D138-S250 VanDerWaalsContact OD2-CB 3.29Å; D138-S250 WeakPolarHBondContact OD2-CB 3.26Å; D138-S250 PolarHBondContact OD2-OG 3.47Å; V235-S250 PolarHBondContact O-N 2.78Å; V248-S250 PolarHBondContact O-N 2.79Å; V248-S250 PolarHBondContact O-OG 2.9Å |
| 251 | G | 92.9 | Very high | 77.4 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.4 | -176.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T135 K136 V235 N249 | T135-G251 VanDerWaalsContact O-CA 3.29Å; T135-G251 WeakPolarHBondContact O-CA 3.32Å; K136-G251 WeakPolarHBondContact O-CA 3.08Å; V235-G251 WeakPolarHBondContact CB-O 3.47Å; V235-G251 PolarHBondContact N-O 3Å; N249-G251 VanDerWaalsContact C-N 3.28Å; N249-G251 VanDerWaalsContact OD1-C 3.3Å; N249-G251 WeakPolarHBondContact OD1-CA 3.25Å; N249-G251 PolarHBondContact OD1-N 3.37Å; N249-G251 PolarHBondContact OD1-O 2.68Å |
| 252 | T | 95.3 | Very high | 78.5 | Confident | 34 Ų | 34 | 68.1 Ų | 68.1 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.8 | 177.1 | 59.5 | 0 | 0 | 0 | 0 | 111.4 | G134 T135 V232 Y233 | G134-T252 CarbonylContact C-O 3.55Å; G134-T252 WeakPolarHBondContact CA-O 3.31Å; T135-T252 PolarHBondContact N-O 3.45Å; T135-T252 PolarHBondContact O-N 2.8Å; V232-T252 HydrophobicContact CG1-CG2 4.45Å; Y233-T252 CarbonylContact O-C 3.54Å; Y233-T252 WeakPolarHBondContact O-CA 3.4Å; Y233-T252 WeakPolarHBondContact O-CB 3.45Å |
| 253 | V | 97 | Very high | 79.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.6 | 168.4 | 170.3 | 0 | 0 | 0 | 0 | 108.5 | F132 C133 L150 W178 V201 F216 Y233 V235 | F132-V253 HydrophobicContact CB-CG1 4.31Å; F132-V253 HydrophobicContact CD1-CG1 3.68Å; F132-V253 HydrophobicContact CE1-CG1 4.44Å; F132-V253 HydrophobicContact CG-CG1 4.38Å; C133-V253 CarbonylContact O-C 3.48Å; C133-V253 WeakPolarHBondContact O-CA 3.28Å; L150-V253 HydrophobicContact CD1-CG1 4.45Å; L150-V253 HydrophobicContact CD2-CG2 4.31Å; W178-V253 HydrophobicContact CH2-CG2 4.36Å; W178-V253 HydrophobicContact CZ3-CG1 4.47Å; W178-V253 HydrophobicContact CZ3-CG2 4.44Å; V201-V253 HydrophobicContact CG2-CG2 4.09Å; F216-V253 HydrophobicContact CD1-CB 4.48Å; F216-V253 HydrophobicContact CE1-CB 3.72Å; F216-V253 HydrophobicContact CE1-CG1 3.82Å; F216-V253 HydrophobicContact CE1-CG2 4.07Å; F216-V253 HydrophobicContact CZ-CB 4.17Å; F216-V253 HydrophobicContact CZ-CG1 3.85Å; Y233-V253 WeakPolarHBondContact CD2-O 3.44Å; Y233-V253 PolarHBondContact N-O 2.76Å; Y233-V253 PolarHBondContact O-N 2.9Å; V235-V253 HydrophobicContact CG2-CB 4.35Å; V235-V253 HydrophobicContact CG2-CG2 3.67Å |
| 254 | T | 96.9 | Very high | 81.1 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.5 | -177 | -58.4 | 0 | 0 | 0 | 0 | 110.1 | F132 C133 N231 V232 L256 | F132-T254 CarbonylContact C-O 3.5Å; F132-T254 VanDerWaalsContact CA-O 3.27Å; F132-T254 WeakPolarHBondContact CA-O 3.44Å; C133-T254 PolarHBondContact N-O 3.39Å; C133-T254 PolarHBondContact O-N 3.33Å; N231-T254 WeakPolarHBondContact O-CA 3.46Å; V232-T254 HydrophobicContact CG2-CG2 3.98Å; T254-L256 PolarHBondContact O-N 3.41Å |
| 255 | L | 96.7 | Very high | 82.6 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 110.6 | 169.2 | -176.6 | 67.4 | 0 | 0 | 0 | 109.4 | M130 F132 L223 N231 S257 F258 | M130-L255 HydrophobicContact CB-CD1 4.11Å; M130-L255 HydrophobicContact CG-CD1 4.3Å; M130-L255 HydrophobicContact SD-CD1 4.42Å; F132-L255 HydrophobicContact CD1-CB 4.24Å; F132-L255 HydrophobicContact CD1-CD1 4.16Å; F132-L255 HydrophobicContact CD2-CD1 4.19Å; F132-L255 HydrophobicContact CE1-CB 3.91Å; F132-L255 HydrophobicContact CE1-CD1 3.64Å; F132-L255 HydrophobicContact CE1-CG 4.37Å; F132-L255 HydrophobicContact CE2-CD1 3.65Å; F132-L255 HydrophobicContact CG-CD1 4.43Å; F132-L255 HydrophobicContact CZ-CD1 3.38Å; F132-L255 HydrophobicContact CZ-CG 4.48Å; L223-L255 HydrophobicContact CB-CD2 4.42Å; L223-L255 HydrophobicContact CD2-CD1 4.33Å; L223-L255 HydrophobicContact CD2-CD2 3.85Å; L223-L255 WeakPolarHBondContact O-CD2 3.22Å; N231-L255 HydrophobicContact CB-CB 3.71Å; N231-L255 HydrophobicContact CB-CD2 3.97Å; N231-L255 PolarHBondContact O-N 3.02Å; L255-S257 VanDerWaalsContact CD1-O 3.27Å; L255-S257 WeakPolarHBondContact CD1-O 3.4Å; L255-F258 HydrophobicContact CD2-CB 4Å; L255-F258 HydrophobicContact CD2-CD2 4.25Å |
| 256 | L | 94.6 | Very high | 84.4 | Confident | 53 Ų | 53 | 49.6 Ų | 49.6 | 28% | 0.277 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -25.8 | 176.7 | -68.2 | -175.7 | 0 | 0 | 0 | 113.1 | Q131 C133 V177 Q227 T254 | Q131-L256 HydrophobicContact CB-CB 4.16Å; Q131-L256 HydrophobicContact CG-CB 4.29Å; Q131-L256 HydrophobicContact CG-CD1 4.33Å; Q131-L256 WeakPolarHBondContact O-CA 3.3Å; Q131-L256 WeakPolarHBondContact O-CB 3.3Å; Q131-L256 PolarHBondContact O-N 3.12Å; C133-L256 HydrophobicContact CB-CD1 3.77Å; C133-L256 HydrophobicContact CB-CG 4.13Å; V177-L256 HydrophobicContact CG1-CD1 4.09Å; Q227-L256 WeakPolarHBondContact CG-O 3.4Å; Q227-L256 PolarHBondContact NE2-O 2.91Å; T254-L256 PolarHBondContact O-N 3.41Å |
| 257 | S | 93.5 | Very high | 86.1 | Confident | 24 Ų | 24 | 42.6 Ų | 42.6 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 147.4 | 174.2 | 64.8 | 0 | 0 | 0 | 0 | 110.6 | M130 Q131 L255 | M130-S257 VanDerWaalsContact CA-O 3.26Å; M130-S257 WeakPolarHBondContact CA-O 3.48Å; Q131-S257 VanDerWaalsContact CB-OG 3.28Å; Q131-S257 WeakPolarHBondContact CB-OG 3.45Å; Q131-S257 PolarHBondContact N-O 3.29Å; Q131-S257 PolarHBondContact N-OG 3.03Å; Q131-S257 PolarHBondContact O-N 3.05Å; L255-S257 VanDerWaalsContact CD1-O 3.27Å; L255-S257 WeakPolarHBondContact CD1-O 3.4Å |
| 258 | F | 93.5 | Very high | 87.7 | Confident | 28 Ų | 28 | 39.1 Ų | 39.1 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 112.2 | 171.6 | -169.2 | -87.4 | 0 | 0 | 0 | 108.6 | V128 M130 Y220 L223 S224 L255 V260 | V128-F258 HydrophobicContact CB-CE2 4.02Å; V128-F258 HydrophobicContact CB-CZ 4.07Å; V128-F258 HydrophobicContact CG1-CE1 3.95Å; V128-F258 HydrophobicContact CG1-CE2 3.82Å; V128-F258 HydrophobicContact CG1-CZ 3.38Å; V128-F258 HydrophobicContact CG2-CE2 4.41Å; M130-F258 HydrophobicContact CG-CD2 3.67Å; M130-F258 HydrophobicContact CG-CE2 4.1Å; M130-F258 HydrophobicContact SD-CD2 3.67Å; M130-F258 HydrophobicContact SD-CE2 3.69Å; Y220-F258 HydrophobicContact CD2-CZ 4.12Å; Y220-F258 AromaticContact CE2-CZ 3.79Å; Y220-F258 HydrophobicContact CE2-CZ 3.79Å; L223-F258 HydrophobicContact CB-CD2 3.77Å; L223-F258 HydrophobicContact CB-CE2 3.45Å; L223-F258 VanDerWaalsContact CB-CE2 3.45Å; L223-F258 HydrophobicContact CB-CZ 4.24Å; L223-F258 WeakPolarHBondContact O-CD2 3.37Å; L223-F258 WeakPolarHBondContact O-CG 3.45Å; S224-F258 VanDerWaalsContact CA-CE1 3.47Å; L255-F258 HydrophobicContact CD2-CB 4Å; L255-F258 HydrophobicContact CD2-CD2 4.25Å; F258-V260 HydrophobicContact CD1-CG2 4.22Å; F258-V260 HydrophobicContact CE1-CG2 3.58Å; F258-V260 HydrophobicContact CZ-CG2 4.49Å |
| 259 | L | 91.3 | Very high | 89.1 | Confident | 108 Ų | 108 | 37.5 Ų | 37.5 | 57% | 0.565 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 117.8 | 179 | -75.3 | 162.4 | 0 | 0 | 0 | 108.2 | V128 M129 D261 | V128-L259 WeakPolarHBondContact CA-O 3.4Å; M129-L259 HydrophobicContact CB-CB 4.27Å; M129-L259 PolarHBondContact N-O 2.83Å; M129-L259 PolarHBondContact O-N 3.17Å; L259-D261 PolarHBondContact O-N 3.1Å |
| 260 | V | 88.5 | Confident | 89.8 | Confident | 69 Ų | 69 | 34.8 Ų | 34.8 | 42% | 0.418 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 119.5 | 170.1 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | E126 V128 F258 | E126-V260 HydrophobicContact CB-CG1 4.15Å; E126-V260 HydrophobicContact CG-CG1 4Å; V128-V260 HydrophobicContact CG1-CG2 4.49Å; F258-V260 HydrophobicContact CD1-CG2 4.22Å; F258-V260 HydrophobicContact CE1-CG2 3.58Å; F258-V260 HydrophobicContact CZ-CG2 4.49Å |
| 261 | D | 83.6 | Confident | 89.6 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.9 | 175.2 | -174.1 | 32.8 | 0 | 0 | 0 | 108.1 | S127 K182 L259 | S127-D261 PolarHBondContact N-O 3.16Å; S127-D261 PolarHBondContact O-N 3.24Å; S127-D261 VanDerWaalsContact O-O 3.05Å; K182-D261 IonicContact NZ-OD2 3.98Å; K182-D261 PolarHBondContact NZ-OD2 3.47Å; L259-D261 PolarHBondContact O-N 3.1Å |
| 262 | V | 80.6 | Confident | 89.3 | Confident | 75 Ų | 75 | 36.7 Ų | 36.7 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 116.8 | 173.9 | 179.9 | 0 | 0 | 0 | 0 | 106.8 | R125 V264 | R125-V262 HydrophobicContact CB-CG1 3.98Å; V262-V264 PolarHBondContact O-N 3.38Å; V262-V264 VanDerWaalsContact O-N 3.12Å |
| 263 | E | 77.8 | Confident | 89 | Confident | 98 Ų | 98 | 36.7 Ų | 36.7 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | trans | -63.8 | 114.7 | 174.4 | -169.3 | 162.3 | -142.4 | 0 | 0 | 109.2 | R125 | R125-E263 WeakPolarHBondContact O-CB 3.46Å; R125-E263 PolarHBondContact O-N 3.18Å | ||
| 264 | V | 85.2 | Confident | 88.7 | Confident | 44 Ų | 44 | 37.1 Ų | 37.1 | 27% | 0.267 | 21% | 0.212 | S | C | . | . | trans | -86.3 | 126.4 | 177.9 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | V262 D268 Y269 P514 | V262-V264 PolarHBondContact O-N 3.38Å; V262-V264 VanDerWaalsContact O-N 3.12Å; V264-D268 HydrophobicContact CG1-CB 3.88Å; V264-Y269 HydrophobicContact CB-CE2 4.31Å; V264-Y269 HydrophobicContact CG1-CD2 3.86Å; V264-Y269 HydrophobicContact CG1-CE2 3.25Å; V264-P514 HydrophobicContact CG1-CB 4.42Å; V264-P514 HydrophobicContact CG1-CG 3.68Å; V264-P514 HydrophobicContact CG2-CG 4.45Å | ||
| 265 | T | 87 | Confident | 88.4 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 16% | 0.16 | 22% | 0.218 | C | C | . | . | trans | -93.9 | 163.6 | 178.4 | 73.9 | 0 | 0 | 0 | 0 | 111.5 | E120 L267 D268 Y269 | E120-T265 WeakPolarHBondContact OE1-CG2 3.45Å; E120-T265 PolarHBondContact OE2-OG1 3.37Å; T265-L267 VanDerWaalsContact C-N 3.25Å; T265-L267 PolarHBondContact O-N 3.13Å; T265-D268 PolarHBondContact N-OD2 3.35Å; T265-D268 WeakPolarHBondContact O-CB 3.39Å; T265-D268 PolarHBondContact O-N 2.91Å; T265-D268 VanDerWaalsContact O-N 3.12Å; T265-D268 PolarHBondContact OG1-N 3.02Å; T265-D268 PolarHBondContact OG1-OD2 3.18Å; T265-Y269 WeakPolarHBondContact O-CD2 3.5Å | ||
| 266 | F | 89.3 | Confident | 88.2 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.5 | -44.8 | 172.8 | 171.5 | -104.2 | 0 | 0 | 0 | 111.7 | F55 D268 Y269 I270 I276 Y322 P500 F503 L504 | F55-F266 HydrophobicContact CD2-CD1 4.34Å; F55-F266 AromaticContact CD2-CE1 3.55Å; F55-F266 HydrophobicContact CD2-CE1 3.55Å; F55-F266 HydrophobicContact CD2-CZ 4.03Å; F55-F266 AromaticContact CE2-CE1 3.71Å; F55-F266 HydrophobicContact CE2-CE1 3.71Å; F55-F266 AromaticContact CE2-CZ 3.71Å; F55-F266 HydrophobicContact CE2-CZ 3.71Å; F55-F266 HydrophobicContact CG-CE1 4.45Å; F55-F266 HydrophobicContact CZ-CZ 4.43Å; F266-D268 PolarHBondContact O-N 3.42Å; F266-Y269 PolarHBondContact O-N 3.14Å; F266-Y269 VanDerWaalsContact O-N 3.14Å; F266-I270 HydrophobicContact CD1-CG1 4.17Å; F266-I270 HydrophobicContact CE1-CD1 4.19Å; F266-I270 HydrophobicContact CE1-CG1 3.7Å; F266-I270 HydrophobicContact CE2-CD1 4.12Å; F266-I270 HydrophobicContact CE2-CG1 4.27Å; F266-I270 HydrophobicContact CZ-CD1 3.72Å; F266-I270 HydrophobicContact CZ-CG1 3.76Å; F266-I270 PolarHBondContact O-N 2.91Å; F266-I276 HydrophobicContact CE2-CD1 4.18Å; F266-I276 HydrophobicContact CZ-CD1 4.36Å; F266-I276 HydrophobicContact CZ-CG1 4.33Å; F266-Y322 HydrophobicContact CE1-CD1 4.42Å; F266-Y322 HydrophobicContact CE1-CE1 4.39Å; F266-P500 HydrophobicContact CB-CB 4.01Å; F266-P500 HydrophobicContact CD2-CB 4.21Å; F266-P500 HydrophobicContact CG-CB 4Å; F266-P500 HydrophobicContact CG-CG 4.48Å; F266-F503 HydrophobicContact CD2-CB 4.25Å; F266-F503 AromaticContact CD2-CD1 3.67Å; F266-F503 HydrophobicContact CD2-CD1 3.67Å; F266-F503 HydrophobicContact CD2-CD2 4.45Å; F266-F503 HydrophobicContact CD2-CE1 4.11Å; F266-F503 AromaticContact CD2-CG 3.88Å; F266-F503 HydrophobicContact CD2-CG 3.88Å; F266-F503 HydrophobicContact CE2-CB 4.38Å; F266-F503 HydrophobicContact CE2-CD1 4.19Å; F266-F503 HydrophobicContact CE2-CD2 4.16Å; F266-F503 AromaticContact CE2-CG 4Å; F266-F503 HydrophobicContact CE2-CG 4Å; F266-L504 HydrophobicContact CB-CD1 4.45Å |
| 267 | L | 86.6 | Confident | 88.1 | Confident | 13 Ų | 13 | 37.3 Ų | 37.3 | 7% | 0.068 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -24.6 | 179.8 | -70.1 | -175.7 | 0 | 0 | 0 | 113.8 | Y53 V92 T265 Y269 I270 K271 | Y53-L267 HydrophobicContact CD1-CD1 3.77Å; Y53-L267 HydrophobicContact CD1-CG 4.41Å; Y53-L267 HydrophobicContact CE1-CD1 3.73Å; Y53-L267 HydrophobicContact CE1-CD2 3.76Å; Y53-L267 HydrophobicContact CE1-CG 3.89Å; Y53-L267 HydrophobicContact CG-CD1 4.46Å; V92-L267 HydrophobicContact CB-CD2 4.1Å; V92-L267 HydrophobicContact CG2-CD2 3.92Å; T265-L267 VanDerWaalsContact C-N 3.25Å; T265-L267 PolarHBondContact O-N 3.13Å; L267-Y269 VanDerWaalsContact C-N 3.3Å; L267-Y269 PolarHBondContact O-N 3.37Å; L267-I270 PolarHBondContact O-N 3.45Å; L267-K271 VanDerWaalsContact O-CB 3.27Å; L267-K271 WeakPolarHBondContact O-CB 3.17Å; L267-K271 WeakPolarHBondContact O-CD 3.43Å; L267-K271 VanDerWaalsContact O-CG 3.22Å; L267-K271 WeakPolarHBondContact O-CG 3.27Å; L267-K271 PolarHBondContact O-N 3.38Å |
| 268 | D | 87.9 | Confident | 88.2 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | 175.8 | -67.5 | -31.1 | 0 | 0 | 0 | 111.7 | R125 V264 T265 F266 G272 P514 | R125-D268 IonicContact CZ-OD1 3.7Å; R125-D268 IonicContact CZ-OD2 3.14Å; R125-D268 IonicContact NH1-OD1 2.73Å; R125-D268 PolarHBondContact NH1-OD1 2.77Å; R125-D268 IonicContact NH1-OD2 2.81Å; R125-D268 PolarHBondContact NH1-OD2 3.49Å; R125-D268 IonicContact NH2-OD1 3.36Å; R125-D268 PolarHBondContact NH2-OD1 2.95Å; R125-D268 IonicContact NH2-OD2 3.14Å; V264-D268 HydrophobicContact CG1-CB 3.88Å; T265-D268 PolarHBondContact N-OD2 3.35Å; T265-D268 WeakPolarHBondContact O-CB 3.39Å; T265-D268 PolarHBondContact O-N 2.91Å; T265-D268 VanDerWaalsContact O-N 3.12Å; T265-D268 PolarHBondContact OG1-N 3.02Å; T265-D268 PolarHBondContact OG1-OD2 3.18Å; F266-D268 PolarHBondContact O-N 3.42Å; D268-G272 PolarHBondContact O-N 2.93Å; D268-P514 HydrophobicContact CB-CB 4.1Å; D268-P514 HydrophobicContact CB-CG 4.13Å |
| 269 | Y | 91.3 | Very high | 88.3 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.4 | -44.1 | 175.2 | -70.1 | -90.7 | 0 | 0 | 0 | 111.9 | V264 T265 F266 L267 K271 G272 G273 T274 F503 L504 M507 I512 P514 | V264-Y269 HydrophobicContact CB-CE2 4.31Å; V264-Y269 HydrophobicContact CG1-CD2 3.86Å; V264-Y269 HydrophobicContact CG1-CE2 3.25Å; T265-Y269 WeakPolarHBondContact O-CD2 3.5Å; F266-Y269 PolarHBondContact O-N 3.14Å; F266-Y269 VanDerWaalsContact O-N 3.14Å; L267-Y269 VanDerWaalsContact C-N 3.3Å; L267-Y269 PolarHBondContact O-N 3.37Å; Y269-K271 VanDerWaalsContact C-N 3.33Å; Y269-K271 PolarHBondContact O-N 2.83Å; Y269-G272 CarbonylContact O-C 3.6Å; Y269-G272 WeakPolarHBondContact O-CA 3.37Å; Y269-G272 PolarHBondContact O-N 2.9Å; Y269-G273 PolarHBondContact O-N 2.69Å; Y269-G273 VanDerWaalsContact O-N 3.1Å; Y269-T274 WeakPolarHBondContact O-CB 3.43Å; Y269-T274 PolarHBondContact O-N 2.69Å; Y269-T274 PolarHBondContact O-OG1 3.33Å; Y269-F503 HydrophobicContact CD1-CE1 4.14Å; Y269-F503 HydrophobicContact CD1-CZ 4.1Å; Y269-F503 AromaticContact CD2-CE1 3.53Å; Y269-F503 HydrophobicContact CD2-CE1 3.53Å; Y269-F503 HydrophobicContact CD2-CZ 4.2Å; Y269-F503 HydrophobicContact CE2-CE1 4.13Å; Y269-F503 AromaticContact CG-CE1 3.52Å; Y269-F503 HydrophobicContact CG-CE1 3.52Å; Y269-F503 AromaticContact CG-CZ 3.7Å; Y269-F503 HydrophobicContact CG-CZ 3.7Å; Y269-L504 HydrophobicContact CD2-CD2 4.11Å; Y269-L504 HydrophobicContact CE2-CD2 3.73Å; Y269-M507 HydrophobicContact CD1-CE 4.26Å; Y269-M507 HydrophobicContact CD1-CG 4.15Å; Y269-M507 HydrophobicContact CD1-SD 4.35Å; Y269-M507 HydrophobicContact CE1-CB 3.93Å; Y269-M507 HydrophobicContact CE1-CG 3.69Å; Y269-M507 HydrophobicContact CE1-SD 4.02Å; Y269-M507 HydrophobicContact CE2-CB 4.27Å; Y269-M507 HydrophobicContact CE2-CG 4.28Å; Y269-M507 WeakPolarHBondContact OH-CB 3.29Å; Y269-I512 HydrophobicContact CE1-CG2 4.18Å; Y269-I512 PolarHBondContact OH-O 3.19Å; Y269-P514 HydrophobicContact CD1-CB 4.02Å; Y269-P514 HydrophobicContact CD2-CB 4.42Å; Y269-P514 HydrophobicContact CE1-CB 4.21Å; Y269-P514 HydrophobicContact CG-CB 4.12Å |
| 270 | I | 89 | Confident | 88.6 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 176.5 | -58.7 | -55.1 | 0 | 0 | 0 | 110.5 | F266 L267 G272 G273 I276 Y322 | F266-I270 HydrophobicContact CD1-CG1 4.17Å; F266-I270 HydrophobicContact CE1-CD1 4.19Å; F266-I270 HydrophobicContact CE1-CG1 3.7Å; F266-I270 HydrophobicContact CE2-CD1 4.12Å; F266-I270 HydrophobicContact CE2-CG1 4.27Å; F266-I270 HydrophobicContact CZ-CD1 3.72Å; F266-I270 HydrophobicContact CZ-CG1 3.76Å; F266-I270 PolarHBondContact O-N 2.91Å; L267-I270 PolarHBondContact O-N 3.45Å; I270-G272 VanDerWaalsContact C-N 3.28Å; I270-G272 PolarHBondContact O-N 3.11Å; I270-G273 PolarHBondContact O-N 3.34Å; I270-I276 HydrophobicContact CD1-CD1 4.03Å; I270-I276 HydrophobicContact CD1-CG1 3.81Å; I270-Y322 HydrophobicContact CG1-CD1 4.5Å; I270-Y322 HydrophobicContact CG2-CD1 4.3Å |
| 271 | K | 84 | Confident | 89.1 | Confident | 31 Ų | 31 | 26.9 Ų | 26.9 | 14% | 0.135 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.3 | -37 | 173.1 | -78.6 | 167.8 | -176.2 | 165.7 | 0 | 113.1 | S97 E120 L267 Y269 G273 | S97-K271 WeakPolarHBondContact OG-CE 3.42Å; S97-K271 WeakPolarHBondContact OG-CG 3.47Å; E120-K271 IonicContact OE2-NZ 3.63Å; L267-K271 VanDerWaalsContact O-CB 3.27Å; L267-K271 WeakPolarHBondContact O-CB 3.17Å; L267-K271 WeakPolarHBondContact O-CD 3.43Å; L267-K271 VanDerWaalsContact O-CG 3.22Å; L267-K271 WeakPolarHBondContact O-CG 3.27Å; L267-K271 PolarHBondContact O-N 3.38Å; Y269-K271 VanDerWaalsContact C-N 3.33Å; Y269-K271 PolarHBondContact O-N 2.83Å; K271-G273 PolarHBondContact O-N 2.89Å |
| 272 | G | 85.9 | Confident | 89.8 | Confident | 14 Ų | 14 | 23.5 Ų | 23.5 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -6.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | D268 Y269 I270 S515 | D268-G272 PolarHBondContact O-N 2.93Å; Y269-G272 CarbonylContact O-C 3.6Å; Y269-G272 WeakPolarHBondContact O-CA 3.37Å; Y269-G272 PolarHBondContact O-N 2.9Å; I270-G272 VanDerWaalsContact C-N 3.28Å; I270-G272 PolarHBondContact O-N 3.11Å; G272-S515 WeakPolarHBondContact CA-O 3.41Å; G272-S515 VanDerWaalsContact O-CB 3.32Å; G272-S515 WeakPolarHBondContact O-CB 3.37Å |
| 273 | G | 87.9 | Confident | 90.6 | Very high | 33 Ų | 33 | 20 Ų | 20 | 34% | 0.34 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 13.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y269 I270 K271 Q275 | Y269-G273 PolarHBondContact O-N 2.69Å; Y269-G273 VanDerWaalsContact O-N 3.1Å; I270-G273 PolarHBondContact O-N 3.34Å; K271-G273 PolarHBondContact O-N 2.89Å; G273-Q275 PolarHBondContact O-N 3.07Å |
| 274 | T | 91.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | trans | -63.7 | 127.4 | 168.9 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | Y269 G400 S401 F503 M507 | Y269-T274 WeakPolarHBondContact O-CB 3.43Å; Y269-T274 PolarHBondContact O-N 2.69Å; Y269-T274 PolarHBondContact O-OG1 3.33Å; T274-G400 WeakPolarHBondContact CG2-O 3.24Å; T274-G400 PolarHBondContact OG1-O 2.65Å; T274-S401 WeakPolarHBondContact CA-O 3.27Å; T274-F503 HydrophobicContact CG2-CE2 3.69Å; T274-F503 HydrophobicContact CG2-CZ 3.77Å; T274-M507 HydrophobicContact CG2-CE 4.17Å | ||
| 275 | Q | 90 | Very high | 92.1 | Very high | 65 Ų | 65 | 13.3 Ų | 13.3 | 30% | 0.304 | 8% | 0.079 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 141.9 | 179.9 | -61.3 | -174.9 | -4.3 | 0 | 0 | 111.5 | G273 S324 S401 Q402 Y403 | G273-Q275 PolarHBondContact O-N 3.07Å; Q275-S324 PolarHBondContact NE2-OG 3.23Å; Q275-S401 PolarHBondContact N-O 2.85Å; Q275-Q402 HydrophobicContact CB-CG 4.47Å; Q275-Q402 CarbonylContact O-C 3.46Å; Q275-Q402 WeakPolarHBondContact O-CA 3.25Å; Q275-Y403 PolarHBondContact O-N 3.47Å |
| 276 | I | 92.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 104.5 | 170.9 | -53.3 | -56.8 | 0 | 0 | 0 | 108.2 | F266 I270 I319 Y322 D323 Y403 V405 F503 | F266-I276 HydrophobicContact CE2-CD1 4.18Å; F266-I276 HydrophobicContact CZ-CD1 4.36Å; F266-I276 HydrophobicContact CZ-CG1 4.33Å; I270-I276 HydrophobicContact CD1-CD1 4.03Å; I270-I276 HydrophobicContact CD1-CG1 3.81Å; I276-I319 HydrophobicContact CG2-CD1 4.16Å; I276-I319 HydrophobicContact CG2-CG1 4.16Å; I276-Y322 PolarHBondContact N-O 3.07Å; I276-D323 WeakPolarHBondContact O-CB 3.24Å; I276-Y403 CarbonylContact C-O 3.58Å; I276-Y403 WeakPolarHBondContact CA-O 3.15Å; I276-Y403 HydrophobicContact CD1-CD1 4.49Å; I276-V405 HydrophobicContact CG2-CG2 3.77Å; I276-F503 HydrophobicContact CD1-CD2 4.01Å; I276-F503 HydrophobicContact CD1-CE2 3.91Å |
| 277 | N | 93.4 | Very high | 92.7 | Very high | 25 Ų | 25 | 17.7 Ų | 17.7 | 13% | 0.134 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 120.8 | 177.9 | -67 | -71.4 | 0 | 0 | 0 | 109.9 | Q402 Y403 F404 V405 | N277-Q402 WeakPolarHBondContact ND2-CB 3.39Å; N277-Q402 PolarHBondContact ND2-OE1 3.05Å; N277-Y403 PolarHBondContact N-O 3.44Å; N277-F404 HydrophobicContact CB-CD1 3.63Å; N277-F404 HydrophobicContact CB-CE1 3.88Å; N277-F404 HydrophobicContact CB-CG 4.29Å; N277-F404 WeakPolarHBondContact ND2-CE1 3Å; N277-F404 CarbonylContact O-C 3.55Å; N277-F404 WeakPolarHBondContact O-CA 3.46Å; N277-V405 PolarHBondContact O-N 3.49Å |
| 278 | F | 94.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 124.7 | -178.9 | -177.1 | -123.1 | 0 | 0 | 0 | 112.3 | V280 V315 I319 F328 P329 I361 V405 L407 | F278-V280 HydrophobicContact CD1-CG2 4.06Å; F278-V280 HydrophobicContact CE1-CG2 3.44Å; F278-V280 VanDerWaalsContact CE1-CG2 3.44Å; F278-V280 HydrophobicContact CZ-CG2 3.81Å; F278-V315 HydrophobicContact CE2-CG1 4.23Å; F278-V315 HydrophobicContact CZ-CG1 4.09Å; F278-I319 HydrophobicContact CB-CD1 4.49Å; F278-I319 HydrophobicContact CB-CG2 3.99Å; F278-I319 HydrophobicContact CD1-CG2 3.53Å; F278-I319 HydrophobicContact CD2-CD1 3.71Å; F278-I319 HydrophobicContact CD2-CG1 4.46Å; F278-I319 HydrophobicContact CD2-CG2 3.66Å; F278-I319 HydrophobicContact CE1-CG2 3.76Å; F278-I319 HydrophobicContact CE2-CD1 4.18Å; F278-I319 HydrophobicContact CE2-CG2 3.86Å; F278-I319 HydrophobicContact CG-CD1 4.31Å; F278-I319 HydrophobicContact CG-CG2 3.45Å; F278-I319 VanDerWaalsContact CG-CG2 3.45Å; F278-I319 HydrophobicContact CZ-CG2 3.91Å; F278-F328 HydrophobicContact CB-CD1 3.76Å; F278-F328 HydrophobicContact CB-CE1 3.89Å; F278-F328 HydrophobicContact CD1-CD1 4.06Å; F278-F328 HydrophobicContact CD1-CE1 4.4Å; F278-F328 HydrophobicContact CD1-CG 4.36Å; F278-F328 HydrophobicContact CG-CD1 4.41Å; F278-F328 WeakPolarHBondContact O-CD1 3.39Å; F278-P329 WeakPolarHBondContact O-CD 3.12Å; F278-I361 HydrophobicContact CD1-CD1 4.34Å; F278-I361 HydrophobicContact CE1-CD1 4.09Å; F278-V405 HydrophobicContact CD2-CB 4.25Å; F278-V405 HydrophobicContact CD2-CG1 4.17Å; F278-V405 HydrophobicContact CE2-CG1 4.4Å; F278-L407 HydrophobicContact CE2-CB 3.58Å; F278-L407 HydrophobicContact CE2-CD2 4.39Å; F278-L407 HydrophobicContact CZ-CB 3.7Å; F278-L407 HydrophobicContact CZ-CD2 3.71Å; F278-L407 HydrophobicContact CZ-CG 4.35Å |
| 279 | T | 96.9 | Very high | 93.4 | Very high | 8 Ų | 8 | 17.5 Ų | 17.5 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.7 | 175.4 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | P329 L331 V390 V405 L406 L407 | T279-P329 HydrophobicContact CG2-CB 4.06Å; T279-L331 HydrophobicContact CG2-CD1 4.12Å; T279-V390 HydrophobicContact CG2-CG2 3.82Å; T279-V405 PolarHBondContact N-O 2.77Å; T279-L406 HydrophobicContact CG2-CD1 3.89Å; T279-L406 CarbonylContact O-C 3.55Å; T279-L406 WeakPolarHBondContact O-CA 3.45Å; T279-L407 PolarHBondContact O-N 2.69Å |
| 280 | V | 97.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.2 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | F278 I282 L312 P329 L331 V364 L407 | F278-V280 HydrophobicContact CD1-CG2 4.06Å; F278-V280 HydrophobicContact CE1-CG2 3.44Å; F278-V280 VanDerWaalsContact CE1-CG2 3.44Å; F278-V280 HydrophobicContact CZ-CG2 3.81Å; V280-I282 HydrophobicContact CG1-CD1 4.21Å; V280-I282 HydrophobicContact CG1-CG1 3.83Å; V280-L312 HydrophobicContact CB-CD1 4.39Å; V280-L312 HydrophobicContact CG1-CD1 3.79Å; V280-L312 HydrophobicContact CG2-CD1 3.72Å; V280-P329 PolarHBondContact N-O 3.29Å; V280-L331 PolarHBondContact O-N 3.47Å; V280-V364 HydrophobicContact CB-CG1 4.28Å; V280-V364 HydrophobicContact CG1-CG1 4.34Å; V280-V364 HydrophobicContact CG2-CG1 4.29Å; V280-L407 CarbonylContact C-O 3.58Å |
| 281 | A | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | L331 F333 V386 L406 L407 I408 I409 | A281-L331 CarbonylContact C-O 3.58Å; A281-L331 VanDerWaalsContact CA-O 3.29Å; A281-L331 WeakPolarHBondContact CA-O 3.5Å; A281-L331 HydrophobicContact CB-CB 4.48Å; A281-F333 HydrophobicContact CB-CD1 4.21Å; A281-F333 HydrophobicContact CB-CE1 4.15Å; A281-V386 HydrophobicContact CB-CB 4.09Å; A281-V386 HydrophobicContact CB-CG1 4.09Å; A281-V386 HydrophobicContact CB-CG2 4.12Å; A281-L406 HydrophobicContact CB-CD1 3.95Å; A281-L407 PolarHBondContact N-O 2.88Å; A281-I408 HydrophobicContact CB-CG1 4.32Å; A281-I408 WeakPolarHBondContact O-CA 3.27Å; A281-I409 PolarHBondContact O-N 3.44Å |
| 282 | I | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.1 | -177.6 | -60.4 | 179.3 | 0 | 0 | 0 | 109.7 | V280 F284 Y308 L312 L331 G332 F333 L349 Y368 | V280-I282 HydrophobicContact CG1-CD1 4.21Å; V280-I282 HydrophobicContact CG1-CG1 3.83Å; I282-F284 HydrophobicContact CB-CD2 4.22Å; I282-F284 HydrophobicContact CB-CE2 3.82Å; I282-F284 HydrophobicContact CG2-CD2 3.85Å; I282-F284 HydrophobicContact CG2-CE2 3.53Å; I282-F284 WeakPolarHBondContact O-CD2 3.32Å; I282-Y308 HydrophobicContact CG2-CD1 3.69Å; I282-Y308 HydrophobicContact CG2-CE1 3.97Å; I282-L312 HydrophobicContact CD1-CD2 4.3Å; I282-L331 PolarHBondContact N-O 2.65Å; I282-G332 CarbonylContact O-C 3.58Å; I282-G332 VanDerWaalsContact O-CA 3.26Å; I282-G332 WeakPolarHBondContact O-CA 3.09Å; I282-F333 VanDerWaalsContact C-CE1 3.41Å; I282-F333 VanDerWaalsContact O-CD1 3.29Å; I282-F333 WeakPolarHBondContact O-CD1 3.39Å; I282-F333 PolarHBondContact O-N 2.85Å; I282-L349 HydrophobicContact CB-CD1 4.48Å; I282-L349 HydrophobicContact CD1-CD1 3.81Å; I282-L349 HydrophobicContact CG1-CD1 4.26Å; I282-Y368 HydrophobicContact CD1-CD2 3.54Å; I282-Y368 HydrophobicContact CD1-CE2 4.2Å; I282-Y368 HydrophobicContact CD1-CG 3.85Å; I282-Y368 HydrophobicContact CG2-CD2 4.01Å; I282-Y368 HydrophobicContact CG2-CE2 3.84Å |
| 283 | D | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126.2 | 172.2 | -167.3 | -21.3 | 0 | 0 | 0 | 110.8 | T285 H298 Y308 F333 T381 I409 T410 | D283-T285 WeakPolarHBondContact OD1-CB 3.46Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.25Å; D283-T285 PolarHBondContact OD1-N 3.4Å; D283-T285 PolarHBondContact OD1-OG1 3.19Å; D283-H298 PolarHBondContact O-CE1 2.7Å; D283-H298 PolarHBondContact O-NE2 3.44Å; D283-Y308 HydrophobicContact CB-CE1 4.11Å; D283-F333 VanDerWaalsContact CA-CZ 3.49Å; D283-F333 HydrophobicContact CB-CE1 4.17Å; D283-F333 HydrophobicContact CB-CE2 3.73Å; D283-F333 HydrophobicContact CB-CZ 3.49Å; D283-F333 VanDerWaalsContact CB-CZ 3.49Å; D283-T381 WeakPolarHBondContact OD2-CG2 2.81Å; D283-I409 WeakPolarHBondContact CB-O 3.33Å; D283-I409 PolarHBondContact N-O 3.44Å; D283-T410 WeakPolarHBondContact OD2-CB 3.35Å; D283-T410 PolarHBondContact OD2-OG1 2.72Å |
| 284 | F | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -119.1 | 31.3 | 175 | -81.7 | -110.9 | 0 | 0 | 0 | 110.8 | I282 F333 G334 A335 F347 L349 Y368 L372 V375 L377 Y378 | I282-F284 HydrophobicContact CB-CD2 4.22Å; I282-F284 HydrophobicContact CB-CE2 3.82Å; I282-F284 HydrophobicContact CG2-CD2 3.85Å; I282-F284 HydrophobicContact CG2-CE2 3.53Å; I282-F284 WeakPolarHBondContact O-CD2 3.32Å; F284-F333 PolarHBondContact N-O 3.37Å; F284-G334 VanDerWaalsContact O-O 3.11Å; F284-A335 HydrophobicContact CB-CB 3.85Å; F284-F347 HydrophobicContact CB-CZ 4.27Å; F284-F347 HydrophobicContact CD1-CZ 4.38Å; F284-F347 HydrophobicContact CD2-CZ 4.05Å; F284-F347 HydrophobicContact CE2-CZ 4.47Å; F284-F347 HydrophobicContact CG-CZ 4Å; F284-L349 HydrophobicContact CD2-CD2 4.45Å; F284-L349 HydrophobicContact CE2-CD2 3.55Å; F284-L349 HydrophobicContact CZ-CD2 3.78Å; F284-Y368 HydrophobicContact CE2-CD2 4.07Å; F284-Y368 HydrophobicContact CE2-CE2 4.34Å; F284-Y368 AromaticContact CZ-CD2 3.72Å; F284-Y368 HydrophobicContact CZ-CD2 3.72Å; F284-Y368 HydrophobicContact CZ-CE2 4.06Å; F284-L372 HydrophobicContact CD1-CD2 3.78Å; F284-L372 HydrophobicContact CD1-CG 4.47Å; F284-L372 HydrophobicContact CE1-CB 4.3Å; F284-L372 HydrophobicContact CE1-CD2 3.4Å; F284-L372 VanDerWaalsContact CE1-CD2 3.4Å; F284-L372 HydrophobicContact CE1-CG 3.61Å; F284-L372 HydrophobicContact CZ-CD2 4.17Å; F284-L372 HydrophobicContact CZ-CG 4.07Å; F284-V375 HydrophobicContact CD1-CG2 3.42Å; F284-V375 VanDerWaalsContact CD1-CG2 3.42Å; F284-V375 HydrophobicContact CE1-CG2 3.81Å; F284-V375 HydrophobicContact CG-CG2 4.37Å; F284-L377 HydrophobicContact CB-CD2 3.77Å; F284-L377 HydrophobicContact CD1-CD2 3.66Å; F284-L377 HydrophobicContact CG-CD2 4.12Å; F284-L377 WeakPolarHBondContact O-CA 3.22Å; F284-L377 VanDerWaalsContact O-CB 3.32Å; F284-L377 WeakPolarHBondContact O-CB 3.13Å; F284-L377 VanDerWaalsContact O-CD2 3.24Å; F284-L377 WeakPolarHBondContact O-CD2 3.27Å; F284-Y378 PolarHBondContact O-N 2.76Å | ||
| 285 | T | 96.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -77.2 | 157.4 | 179 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | D283 S287 N288 Y378 T381 | D283-T285 WeakPolarHBondContact OD1-CB 3.46Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.25Å; D283-T285 PolarHBondContact OD1-N 3.4Å; D283-T285 PolarHBondContact OD1-OG1 3.19Å; T285-S287 PolarHBondContact O-N 2.93Å; T285-S287 PolarHBondContact OG1-OG 2.87Å; T285-N288 WeakPolarHBondContact O-CB 3.48Å; T285-N288 PolarHBondContact O-N 3.1Å; T285-N288 PolarHBondContact O-ND2 2.91Å; T285-N288 VanDerWaalsContact O-ND2 3.14Å; T285-N288 PolarHBondContact OG1-ND2 3.11Å; T285-Y378 CarbonylContact C-O 3.59Å; T285-Y378 WeakPolarHBondContact CA-O 3.49Å; T285-Y378 VanDerWaalsContact CB-O 3.26Å; T285-Y378 WeakPolarHBondContact CB-O 3.4Å; T285-T381 HydrophobicContact CG2-CG2 4.36Å; T285-T381 WeakPolarHBondContact CG2-OG1 3.48Å |
| 286 | A | 95.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 34.3 Ų | 34.3 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -69.1 | -16.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N288 G289 Y378 | A286-N288 PolarHBondContact O-N 3.04Å; A286-G289 PolarHBondContact O-N 3.33Å; A286-G289 VanDerWaalsContact O-N 3.08Å; A286-Y378 PolarHBondContact N-O 3Å |
| 287 | S | 94.3 | Very high | 95.1 | Very high | 75 Ų | 75 | 36.1 Ų | 36.1 | 52% | 0.524 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -58.3 | -27.8 | 172.8 | 44.5 | 0 | 0 | 0 | 0 | 112.3 | T285 G289 D411 | T285-S287 PolarHBondContact O-N 2.93Å; T285-S287 PolarHBondContact OG1-OG 2.87Å; S287-G289 PolarHBondContact O-N 3.23Å; S287-G289 VanDerWaalsContact O-N 3.14Å; S287-D411 WeakPolarHBondContact CB-OD2 3.48Å; S287-D411 VanDerWaalsContact OG-CG 3.31Å; S287-D411 PolarHBondContact OG-OD1 2.8Å; S287-D411 VanDerWaalsContact OG-OD1 3.06Å; S287-D411 PolarHBondContact OG-OD2 2.75Å |
| 288 | N | 95.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -66.5 | -12.1 | 175.6 | -72.9 | -74.9 | 0 | 0 | 0 | 114.9 | T285 A286 S296 L297 H298 Y308 L377 D411 | T285-N288 WeakPolarHBondContact O-CB 3.48Å; T285-N288 PolarHBondContact O-N 3.1Å; T285-N288 PolarHBondContact O-ND2 2.91Å; T285-N288 VanDerWaalsContact O-ND2 3.14Å; T285-N288 PolarHBondContact OG1-ND2 3.11Å; A286-N288 PolarHBondContact O-N 3.04Å; N288-S296 WeakPolarHBondContact O-CA 3.4Å; N288-S296 WeakPolarHBondContact O-CB 3.26Å; N288-S296 PolarHBondContact O-OG 2.78Å; N288-L297 HydrophobicContact CB-CB 4.46Å; N288-L297 PolarHBondContact O-N 2.77Å; N288-L297 WeakPolarHBondContact OD1-CB 3.5Å; N288-H298 VanDerWaalsContact CB-CD2 3.43Å; N288-H298 WeakPolarHBondContact CB-CD2 3.31Å; N288-Y308 PolarHBondContact ND2-OH 3.14Å; N288-Y308 WeakPolarHBondContact OD1-CE2 3.41Å; N288-Y308 PolarHBondContact OD1-OH 3.49Å; N288-L377 HydrophobicContact CB-CD1 4.33Å; N288-D411 VanDerWaalsContact CG-CG 3.46Å; N288-D411 PolarHBondContact N-OD2 2.83Å; N288-D411 PolarHBondContact ND2-OD1 2.67Å; N288-D411 VanDerWaalsContact OD1-CB 3.29Å; N288-D411 WeakPolarHBondContact OD1-CB 3.15Å; N288-D411 VanDerWaalsContact OD1-CG 3.29Å |
| 289 | G | 94.2 | Very high | 95.2 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | trans | 72.5 | 171.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A286 S287 P291 S296 L377 | A286-G289 PolarHBondContact O-N 3.33Å; A286-G289 VanDerWaalsContact O-N 3.08Å; S287-G289 PolarHBondContact O-N 3.23Å; S287-G289 VanDerWaalsContact O-N 3.14Å; G289-P291 WeakPolarHBondContact O-CD 3.38Å; G289-S296 PolarHBondContact O-OG 3.12Å; G289-S296 VanDerWaalsContact O-OG 3.07Å; G289-L377 WeakPolarHBondContact O-CD1 3.31Å | ||
| 290 | N | 93.2 | Very high | 94.9 | Very high | 96 Ų | 96 | 41.1 Ų | 41.1 | 51% | 0.513 | 25% | 0.252 | S | S | . | . | trans | -68.4 | 121.2 | -176.1 | -178.3 | -20.1 | 0 | 0 | 0 | 111.4 | A292 Q293 S296 | N290-A292 PolarHBondContact O-N 3.32Å; N290-A292 WeakPolarHBondContact OD1-CB 3.33Å; N290-A292 PolarHBondContact OD1-N 2.99Å; N290-Q293 HydrophobicContact CB-CG 4.04Å; N290-Q293 WeakPolarHBondContact O-CB 3.39Å; N290-Q293 PolarHBondContact O-N 3.34Å; N290-S296 WeakPolarHBondContact O-CB 3.42Å | ||
| 291 | P | 93.9 | Very high | 94.4 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -18.6 | -178 | -25.7 | 34.7 | 0 | 0 | 0 | 115.4 | G289 Q293 H298 M300 L372 L377 | G289-P291 WeakPolarHBondContact O-CD 3.38Å; P291-Q293 VanDerWaalsContact C-N 3.28Å; P291-H298 HydrophobicContact CB-CB 4.13Å; P291-H298 HydrophobicContact CG-CB 4.06Å; P291-M300 HydrophobicContact CB-CE 4.46Å; P291-L372 HydrophobicContact CB-CD2 4.47Å; P291-L372 HydrophobicContact CG-CD2 3.96Å; P291-L377 HydrophobicContact CG-CD1 3.86Å; P291-L377 HydrophobicContact CG-CG 4.35Å |
| 292 | A | 90.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 60% | 0.595 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -14.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N290 | N290-A292 PolarHBondContact O-N 3.32Å; N290-A292 WeakPolarHBondContact OD1-CB 3.33Å; N290-A292 PolarHBondContact OD1-N 2.99Å |
| 293 | Q | 93.9 | Very high | 93.2 | Very high | 103 Ų | 103 | 57.8 Ų | 57.8 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -98.6 | 135.3 | -176.9 | -62.8 | -61.8 | -31.9 | 0 | 0 | 111.1 | N290 P291 T295 S296 Y299 | N290-Q293 HydrophobicContact CB-CG 4.04Å; N290-Q293 WeakPolarHBondContact O-CB 3.39Å; N290-Q293 PolarHBondContact O-N 3.34Å; P291-Q293 VanDerWaalsContact C-N 3.28Å; Q293-T295 PolarHBondContact O-N 3.39Å; Q293-S296 WeakPolarHBondContact O-CB 3.47Å; Q293-S296 PolarHBondContact O-N 2.86Å; Q293-Y299 VanDerWaalsContact C-CD2 3.47Å; Q293-Y299 VanDerWaalsContact O-CD2 3.3Å; Q293-Y299 WeakPolarHBondContact O-CD2 3.33Å |
| 294 | P | 92.4 | Very high | 92.6 | Very high | 88 Ų | 88 | 63.4 Ų | 63.4 | 57% | 0.571 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.5 | 177.7 | -26.4 | 35.2 | 0 | 0 | 0 | 115.4 | S296 Y299 | P294-S296 VanDerWaalsContact C-N 3.31Å; P294-Y299 HydrophobicContact CB-CD1 4.38Å; P294-Y299 HydrophobicContact CB-CE1 4.19Å; P294-Y299 HydrophobicContact CB-CE2 4.43Å; P294-Y299 HydrophobicContact CG-CE1 4.42Å; P294-Y299 HydrophobicContact CG-CE2 4.07Å |
| 295 | T | 92.5 | Very high | 92.2 | Very high | 133 Ų | 133 | 66.5 Ų | 66.5 | 82% | 0.816 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9 | 177.4 | 56 | 0 | 0 | 0 | 0 | 113.3 | Q293 | Q293-T295 PolarHBondContact O-N 3.39Š|
| 296 | S | 95.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 67.1 Ų | 67.1 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -76.3 | 143.1 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | N288 G289 N290 Q293 P294 H298 Y299 | N288-S296 WeakPolarHBondContact O-CA 3.4Å; N288-S296 WeakPolarHBondContact O-CB 3.26Å; N288-S296 PolarHBondContact O-OG 2.78Å; G289-S296 PolarHBondContact O-OG 3.12Å; G289-S296 VanDerWaalsContact O-OG 3.07Å; N290-S296 WeakPolarHBondContact O-CB 3.42Å; Q293-S296 WeakPolarHBondContact O-CB 3.47Å; Q293-S296 PolarHBondContact O-N 2.86Å; P294-S296 VanDerWaalsContact C-N 3.31Å; S296-H298 PolarHBondContact O-N 3.12Å; S296-H298 PolarHBondContact OG-N 2.87Å; S296-H298 VanDerWaalsContact OG-N 3.08Å; S296-Y299 VanDerWaalsContact O-CB 3.25Å; S296-Y299 WeakPolarHBondContact O-CB 3.15Å; S296-Y299 PolarHBondContact O-N 2.63Å; S296-Y299 VanDerWaalsContact O-N 3.1Å |
| 297 | L | 95.2 | Very high | 91.9 | Very high | 39 Ų | 39 | 65.2 Ų | 65.2 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.1 | 172.6 | -61.3 | 175.8 | 0 | 0 | 0 | 112.4 | N288 N306 Y308 D411 | N288-L297 HydrophobicContact CB-CB 4.46Å; N288-L297 PolarHBondContact O-N 2.77Å; N288-L297 WeakPolarHBondContact OD1-CB 3.5Å; L297-N306 WeakPolarHBondContact O-CB 3.02Å; L297-Y308 HydrophobicContact CB-CD2 4.4Å; L297-Y308 HydrophobicContact CB-CE2 3.9Å; L297-D411 HydrophobicContact CD1-CB 3.33Å |
| 298 | H | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 8.9 | 171.8 | -70.2 | -54 | 0 | 0 | 0 | 113.8 | D283 N288 P291 S296 M300 N306 Y308 Y368 L372 | D283-H298 PolarHBondContact O-CE1 2.7Å; D283-H298 PolarHBondContact O-NE2 3.44Å; N288-H298 VanDerWaalsContact CB-CD2 3.43Å; N288-H298 WeakPolarHBondContact CB-CD2 3.31Å; P291-H298 HydrophobicContact CB-CB 4.13Å; P291-H298 HydrophobicContact CG-CB 4.06Å; S296-H298 PolarHBondContact O-N 3.12Å; S296-H298 PolarHBondContact OG-N 2.87Å; S296-H298 VanDerWaalsContact OG-N 3.08Å; H298-M300 PolarHBondContact O-N 2.99Å; H298-N306 PolarHBondContact O-ND2 3.17Å; H298-Y308 AromaticContact CE1-CD1 3.91Å; H298-Y308 AromaticContact CE1-CD2 3.57Å; H298-Y308 AromaticContact CE1-CE1 3.79Å; H298-Y308 AromaticContact CE1-CE2 3.46Å; H298-Y308 VanDerWaalsContact CE1-CE2 3.46Å; H298-Y308 WeakPolarHBondContact CE1-CE2 3.21Å; H298-Y308 AromaticContact CE1-CG 3.81Å; H298-Y308 AromaticContact CE1-CZ 3.58Å; H298-Y308 AromaticContact ND1-CD2 3.5Å; H298-Y308 AromaticContact ND1-CE2 3.75Å; H298-Y308 AromaticContact ND1-CG 3.88Å; H298-Y368 AromaticContact ND1-CE2 3.71Å; H298-Y368 AromaticContact ND1-CZ 3.7Å; H298-Y368 PolarHBondContact ND1-OH 3.27Å; H298-L372 HydrophobicContact CB-CD1 4.06Å; H298-L372 HydrophobicContact CB-CD2 3.79Å |
| 299 | Y | 95.3 | Very high | 91.9 | Very high | 76 Ų | 76 | 61.6 Ų | 61.6 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | trans | -54.4 | 126.5 | -176.3 | 179.8 | -120.1 | 0 | 0 | 0 | 111.8 | Q293 P294 S296 S301 N306 | Q293-Y299 VanDerWaalsContact C-CD2 3.47Å; Q293-Y299 VanDerWaalsContact O-CD2 3.3Å; Q293-Y299 WeakPolarHBondContact O-CD2 3.33Å; P294-Y299 HydrophobicContact CB-CD1 4.38Å; P294-Y299 HydrophobicContact CB-CE1 4.19Å; P294-Y299 HydrophobicContact CB-CE2 4.43Å; P294-Y299 HydrophobicContact CG-CE1 4.42Å; P294-Y299 HydrophobicContact CG-CE2 4.07Å; S296-Y299 VanDerWaalsContact O-CB 3.25Å; S296-Y299 WeakPolarHBondContact O-CB 3.15Å; S296-Y299 PolarHBondContact O-N 2.63Å; S296-Y299 VanDerWaalsContact O-N 3.1Å; Y299-S301 PolarHBondContact O-N 3.1Å; Y299-N306 WeakPolarHBondContact O-CB 3.34Å; Y299-N306 PolarHBondContact O-ND2 2.88Å; Y299-N306 VanDerWaalsContact O-ND2 3.12Å | ||
| 300 | M | 90.3 | Very high | 91.8 | Very high | 64 Ų | 64 | 61 Ų | 61 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | trans | -90.7 | 78.5 | 179.4 | -71.4 | -178 | -86.8 | 0 | 0 | 110 | P291 H298 Y369 L372 K373 | P291-M300 HydrophobicContact CB-CE 4.46Å; H298-M300 PolarHBondContact O-N 2.99Å; M300-Y369 HydrophobicContact CG-CD1 3.74Å; M300-Y369 HydrophobicContact CG-CE1 3.95Å; M300-Y369 HydrophobicContact SD-CD1 3.72Å; M300-Y369 HydrophobicContact SD-CG 4.43Å; M300-L372 HydrophobicContact CE-CB 4.07Å; M300-L372 HydrophobicContact CE-CD1 4.5Å; M300-L372 HydrophobicContact CG-CD1 4.42Å; M300-L372 HydrophobicContact SD-CD1 4.41Å; M300-K373 HydrophobicContact CE-CG 4.27Å | ||
| 301 | S | 87.6 | Confident | 91.8 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | trans | -69.5 | 137.5 | 173.6 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | Y299 Y303 Q304 | Y299-S301 PolarHBondContact O-N 3.1Å; S301-Y303 PolarHBondContact O-N 3.18Å; S301-Y303 PolarHBondContact OG-N 3.48Å; S301-Q304 WeakPolarHBondContact CB-O 3.31Å; S301-Q304 PolarHBondContact OG-N 3.05Å | ||
| 302 | P | 85.6 | Confident | 91.9 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 66% | 0.662 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -72.2 | -10.8 | 174.6 | 28.8 | -33.4 | 0 | 0 | 0 | 113.4 | ||
| 303 | Y | 84.3 | Confident | 91.9 | Very high | 211 Ų | 211 | 54.7 Ų | 54.7 | 83% | 0.827 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -114.8 | -23.4 | -173.7 | -56.5 | -65.9 | 0 | 0 | 0 | 114.1 | S301 | S301-Y303 PolarHBondContact O-N 3.18Å; S301-Y303 PolarHBondContact OG-N 3.48Å |
| 304 | Q | 85.6 | Confident | 91.8 | Very high | 117 Ų | 117 | 50 Ų | 50 | 55% | 0.547 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -140.2 | 144.7 | -172.1 | -68.8 | -178.2 | -2.2 | 0 | 0 | 111 | S301 | S301-Q304 WeakPolarHBondContact CB-O 3.31Å; S301-Q304 PolarHBondContact OG-N 3.05Å |
| 305 | L | 89.5 | Confident | 91.7 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | trans | -72.7 | 141.9 | 170.9 | -62.1 | -179.5 | 0 | 0 | 0 | 109.6 | A309 M310 K313 M365 Y369 | L305-A309 HydrophobicContact CB-CB 3.92Å; L305-A309 HydrophobicContact CD2-CB 4.11Å; L305-A309 HydrophobicContact CG-CB 4.43Å; L305-M310 HydrophobicContact CB-CG 3.67Å; L305-M310 HydrophobicContact CD1-CG 4.48Å; L305-K313 HydrophobicContact CD1-CD 4.03Å; L305-M365 HydrophobicContact CD2-CE 3.99Å; L305-Y369 WeakPolarHBondContact CD2-OH 3.37Å | ||
| 306 | N | 92.6 | Very high | 91.7 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | trans | -76.3 | 172.7 | 169.1 | 62 | 44.5 | 0 | 0 | 0 | 111.7 | L297 H298 Y299 Y308 A309 M310 Y368 | L297-N306 WeakPolarHBondContact O-CB 3.02Å; H298-N306 PolarHBondContact O-ND2 3.17Å; Y299-N306 WeakPolarHBondContact O-CB 3.34Å; Y299-N306 PolarHBondContact O-ND2 2.88Å; Y299-N306 VanDerWaalsContact O-ND2 3.12Å; N306-Y308 VanDerWaalsContact C-N 3.31Å; N306-Y308 PolarHBondContact O-N 2.86Å; N306-Y308 WeakPolarHBondContact OD1-CB 3.45Å; N306-Y308 PolarHBondContact OD1-N 2.93Å; N306-A309 PolarHBondContact O-N 3.09Å; N306-A309 WeakPolarHBondContact OD1-CB 3.44Å; N306-A309 PolarHBondContact OD1-N 2.91Å; N306-M310 WeakPolarHBondContact O-CG 3.32Å; N306-M310 PolarHBondContact O-N 3.08Å; N306-Y368 PolarHBondContact ND2-OH 3.33Å; N306-Y368 PolarHBondContact OD1-OH 3.44Å | ||
| 307 | A | 91.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M310 A311 V439 F474 | A307-M310 PolarHBondContact O-N 2.98Å; A307-A311 WeakPolarHBondContact O-CB 3.48Å; A307-A311 PolarHBondContact O-N 3.3Å; A307-V439 HydrophobicContact CB-CB 3.82Å; A307-V439 HydrophobicContact CB-CG1 3.83Å; A307-F474 HydrophobicContact CB-CD1 4Å; A307-F474 HydrophobicContact CB-CE1 4.09Å |
| 308 | Y | 95.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 174.9 | -74.9 | -91.7 | 0 | 0 | 0 | 112.3 | I282 D283 N288 L297 H298 N306 M310 A311 L312 Y368 I409 D411 V439 | I282-Y308 HydrophobicContact CG2-CD1 3.69Å; I282-Y308 HydrophobicContact CG2-CE1 3.97Å; D283-Y308 HydrophobicContact CB-CE1 4.11Å; N288-Y308 PolarHBondContact ND2-OH 3.14Å; N288-Y308 WeakPolarHBondContact OD1-CE2 3.41Å; N288-Y308 PolarHBondContact OD1-OH 3.49Å; L297-Y308 HydrophobicContact CB-CD2 4.4Å; L297-Y308 HydrophobicContact CB-CE2 3.9Å; H298-Y308 AromaticContact CE1-CD1 3.91Å; H298-Y308 AromaticContact CE1-CD2 3.57Å; H298-Y308 AromaticContact CE1-CE1 3.79Å; H298-Y308 AromaticContact CE1-CE2 3.46Å; H298-Y308 VanDerWaalsContact CE1-CE2 3.46Å; H298-Y308 WeakPolarHBondContact CE1-CE2 3.21Å; H298-Y308 AromaticContact CE1-CG 3.81Å; H298-Y308 AromaticContact CE1-CZ 3.58Å; H298-Y308 AromaticContact ND1-CD2 3.5Å; H298-Y308 AromaticContact ND1-CE2 3.75Å; H298-Y308 AromaticContact ND1-CG 3.88Å; N306-Y308 VanDerWaalsContact C-N 3.31Å; N306-Y308 PolarHBondContact O-N 2.86Å; N306-Y308 WeakPolarHBondContact OD1-CB 3.45Å; N306-Y308 PolarHBondContact OD1-N 2.93Å; Y308-M310 VanDerWaalsContact C-N 3.34Å; Y308-M310 PolarHBondContact O-N 2.74Å; Y308-A311 PolarHBondContact O-N 2.91Å; Y308-L312 VanDerWaalsContact O-CB 3.26Å; Y308-L312 WeakPolarHBondContact O-CB 3.24Å; Y308-L312 PolarHBondContact O-N 2.96Å; Y308-Y368 WeakPolarHBondContact CB-OH 3.5Å; Y308-I409 HydrophobicContact CD1-CB 3.8Å; Y308-I409 HydrophobicContact CD1-CG2 3.35Å; Y308-I409 HydrophobicContact CE1-CB 4.04Å; Y308-I409 HydrophobicContact CE1-CG2 3.66Å; Y308-I409 WeakPolarHBondContact CE1-O 3.11Å; Y308-I409 HydrophobicContact CG-CG2 4.12Å; Y308-D411 PolarHBondContact OH-N 3.13Å; Y308-D411 VanDerWaalsContact OH-N 3.17Å; Y308-V439 HydrophobicContact CD2-CG2 3.93Å; Y308-V439 HydrophobicContact CE1-CG2 4.13Å; Y308-V439 HydrophobicContact CE2-CG2 3.4Å; Y308-V439 HydrophobicContact CG-CG2 4.46Å |
| 309 | A | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L305 N306 K313 M365 Y368 Y369 | L305-A309 HydrophobicContact CB-CB 3.92Å; L305-A309 HydrophobicContact CD2-CB 4.11Å; L305-A309 HydrophobicContact CG-CB 4.43Å; N306-A309 PolarHBondContact O-N 3.09Å; N306-A309 WeakPolarHBondContact OD1-CB 3.44Å; N306-A309 PolarHBondContact OD1-N 2.91Å; A309-K313 VanDerWaalsContact O-CB 3.23Å; A309-K313 WeakPolarHBondContact O-CB 3.49Å; A309-K313 PolarHBondContact O-N 3.42Å; A309-M365 HydrophobicContact CB-CE 3.46Å; A309-M365 VanDerWaalsContact CB-CE 3.46Å; A309-M365 HydrophobicContact CB-SD 4.07Å; A309-Y368 HydrophobicContact CB-CE1 4.43Å; A309-Y369 WeakPolarHBondContact CB-OH 3.45Å |
| 310 | M | 92.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 9% | 0.094 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.9 | -47 | 175 | -73.3 | -171.1 | -76.3 | 0 | 0 | 111.7 | L305 N306 A307 Y308 K313 A314 F474 H484 M488 | L305-M310 HydrophobicContact CB-CG 3.67Å; L305-M310 HydrophobicContact CD1-CG 4.48Å; N306-M310 WeakPolarHBondContact O-CG 3.32Å; N306-M310 PolarHBondContact O-N 3.08Å; A307-M310 PolarHBondContact O-N 2.98Å; Y308-M310 VanDerWaalsContact C-N 3.34Å; Y308-M310 PolarHBondContact O-N 2.74Å; M310-K313 PolarHBondContact O-N 2.91Å; M310-A314 VanDerWaalsContact O-CB 3.24Å; M310-A314 WeakPolarHBondContact O-CB 3.34Å; M310-A314 PolarHBondContact O-N 2.79Å; M310-F474 HydrophobicContact CB-CE1 4.26Å; M310-F474 HydrophobicContact CB-CE2 4.44Å; M310-F474 HydrophobicContact CB-CZ 3.68Å; M310-F474 HydrophobicContact CE-CE1 3.81Å; M310-F474 HydrophobicContact CE-CZ 4.06Å; M310-F474 HydrophobicContact SD-CZ 4.19Å; M310-H484 HydrophobicContact SD-CB 4.35Å; M310-M488 HydrophobicContact CB-CG 4.41Å |
| 311 | A | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -46.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A307 Y308 K313 A314 V315 I409 V437 L491 | A307-A311 WeakPolarHBondContact O-CB 3.48Å; A307-A311 PolarHBondContact O-N 3.3Å; Y308-A311 PolarHBondContact O-N 2.91Å; A311-K313 VanDerWaalsContact C-N 3.34Å; A311-K313 PolarHBondContact O-N 2.97Å; A311-A314 PolarHBondContact O-N 2.81Å; A311-V315 WeakPolarHBondContact O-CG2 3.41Å; A311-V315 PolarHBondContact O-N 3.11Å; A311-V315 VanDerWaalsContact O-N 3.12Å; A311-I409 HydrophobicContact CB-CD1 4.09Å; A311-I409 HydrophobicContact CB-CG2 4.34Å; A311-V437 HydrophobicContact CB-CB 4.48Å; A311-V437 HydrophobicContact CB-CG1 3.81Å; A311-L491 HydrophobicContact CB-CD2 4.06Å |
| 312 | L | 94.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.5 | -48.6 | 175.6 | 173.3 | 55.4 | 0 | 0 | 0 | 111.3 | V280 I282 Y308 G316 I361 V364 M365 I409 | V280-L312 HydrophobicContact CB-CD1 4.39Å; V280-L312 HydrophobicContact CG1-CD1 3.79Å; V280-L312 HydrophobicContact CG2-CD1 3.72Å; I282-L312 HydrophobicContact CD1-CD2 4.3Å; Y308-L312 VanDerWaalsContact O-CB 3.26Å; Y308-L312 WeakPolarHBondContact O-CB 3.24Å; Y308-L312 PolarHBondContact O-N 2.96Å; L312-G316 WeakPolarHBondContact O-CA 3.21Å; L312-G316 PolarHBondContact O-N 2.88Å; L312-I361 HydrophobicContact CG-CG2 4.47Å; L312-V364 HydrophobicContact CD1-CG1 4.06Å; L312-V364 HydrophobicContact CD2-CB 4.37Å; L312-V364 HydrophobicContact CD2-CG1 3.69Å; L312-V364 HydrophobicContact CG-CG1 4.49Å; L312-M365 HydrophobicContact CB-SD 4.34Å; L312-M365 HydrophobicContact CD2-CG 4.02Å; L312-M365 HydrophobicContact CD2-SD 3.49Å; L312-M365 WeakPolarHBondContact CD2-SD 3.38Å; L312-M365 HydrophobicContact CG-SD 4.01Å; L312-I409 HydrophobicContact CB-CD1 3.91Å |
| 313 | K | 92.2 | Very high | 90.4 | Very high | 54 Ų | 54 | 29.6 Ų | 29.6 | 24% | 0.235 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | -179.8 | -168 | 168.8 | -174.6 | 150.4 | 0 | 112 | L305 A309 M310 A311 E317 E362 M488 | L305-K313 HydrophobicContact CD1-CD 4.03Å; A309-K313 VanDerWaalsContact O-CB 3.23Å; A309-K313 WeakPolarHBondContact O-CB 3.49Å; A309-K313 PolarHBondContact O-N 3.42Å; M310-K313 PolarHBondContact O-N 2.91Å; A311-K313 VanDerWaalsContact C-N 3.34Å; A311-K313 PolarHBondContact O-N 2.97Å; K313-E317 WeakPolarHBondContact CE-OE1 3.48Å; K313-E317 HydrophobicContact CG-CG 3.91Å; K313-E317 IonicContact NZ-OE1 2.97Å; K313-E317 WeakPolarHBondContact O-CB 3.48Å; K313-E317 WeakPolarHBondContact O-CG 3.47Å; K313-E317 PolarHBondContact O-N 3.05Å; K313-E362 IonicContact NZ-OE1 3.72Å; K313-E362 PolarHBondContact NZ-OE1 3.06Å; K313-M488 HydrophobicContact CB-CE 3.66Å; K313-M488 HydrophobicContact CD-CE 4.11Å; K313-M488 HydrophobicContact CG-CE 3.68Å |
| 314 | A | 90.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 23.5 Ų | 23.5 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.6 | -49.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M310 A311 M488 L491 A492 | M310-A314 VanDerWaalsContact O-CB 3.24Å; M310-A314 WeakPolarHBondContact O-CB 3.34Å; M310-A314 PolarHBondContact O-N 2.79Å; A311-A314 PolarHBondContact O-N 2.81Å; A314-M488 HydrophobicContact CB-CB 3.79Å; A314-M488 HydrophobicContact CB-CE 4.1Å; A314-M488 HydrophobicContact CB-CG 4.09Å; A314-L491 HydrophobicContact CB-CD2 3.85Å; A314-A492 HydrophobicContact CB-CB 4.4Å; A314-A492 WeakPolarHBondContact O-CB 3.39Å |
| 315 | V | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -78.3 | -47.7 | -177.8 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | F278 A311 E317 I318 I319 L407 I435 V495 L496 | F278-V315 HydrophobicContact CE2-CG1 4.23Å; F278-V315 HydrophobicContact CZ-CG1 4.09Å; A311-V315 WeakPolarHBondContact O-CG2 3.41Å; A311-V315 PolarHBondContact O-N 3.11Å; A311-V315 VanDerWaalsContact O-N 3.12Å; V315-E317 VanDerWaalsContact C-N 3.3Å; V315-E317 PolarHBondContact O-N 3.18Å; V315-I318 PolarHBondContact O-N 3.32Å; V315-I319 PolarHBondContact O-N 2.81Å; V315-L407 HydrophobicContact CB-CD2 4.04Å; V315-L407 HydrophobicContact CG1-CD2 4.18Å; V315-L407 HydrophobicContact CG2-CD1 4.5Å; V315-L407 HydrophobicContact CG2-CD2 4.42Å; V315-I435 HydrophobicContact CG1-CD1 4.36Å; V315-V495 HydrophobicContact CG1-CG1 4.12Å; V315-V495 HydrophobicContact CG2-CB 4.29Å; V315-V495 HydrophobicContact CG2-CG1 3.65Å; V315-V495 HydrophobicContact CG2-CG2 4.48Å; V315-L496 HydrophobicContact CG1-CD2 4.05Å; V315-L496 HydrophobicContact CG1-CG 4.46Å |
| 316 | G | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L312 I318 Q320 I361 | L312-G316 WeakPolarHBondContact O-CA 3.21Å; L312-G316 PolarHBondContact O-N 2.88Å; G316-I318 PolarHBondContact O-N 3.19Å; G316-Q320 WeakPolarHBondContact O-CB 3.38Å; G316-Q320 VanDerWaalsContact O-CG 3.31Å; G316-Q320 WeakPolarHBondContact O-CG 3.34Å; G316-Q320 PolarHBondContact O-N 3.38Å; G316-Q320 VanDerWaalsContact O-N 3.14Å; G316-I361 VanDerWaalsContact C-CG1 3.43Å; G316-I361 WeakPolarHBondContact O-CG1 3.07Å |
| 317 | E | 89.7 | Confident | 90.5 | Very high | 43 Ų | 43 | 24.6 Ų | 24.6 | 20% | 0.201 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.5 | -25.5 | -176.4 | -83 | -167.9 | 165.1 | 0 | 0 | 114.1 | R58 K313 V315 Q320 | R58-E317 IonicContact CZ-OE2 2.82Å; R58-E317 IonicContact NH1-OE1 2.65Å; R58-E317 PolarHBondContact NH1-OE1 3.48Å; R58-E317 IonicContact NH1-OE2 3.21Å; R58-E317 PolarHBondContact NH1-OE2 3.28Å; K313-E317 WeakPolarHBondContact CE-OE1 3.48Å; K313-E317 HydrophobicContact CG-CG 3.91Å; K313-E317 IonicContact NZ-OE1 2.97Å; K313-E317 WeakPolarHBondContact O-CB 3.48Å; K313-E317 WeakPolarHBondContact O-CG 3.47Å; K313-E317 PolarHBondContact O-N 3.05Å; V315-E317 VanDerWaalsContact C-N 3.3Å; V315-E317 PolarHBondContact O-N 3.18Å; E317-Q320 VanDerWaalsContact CA-NE2 3.34Å; E317-Q320 WeakPolarHBondContact O-CG 3.4Å; E317-Q320 PolarHBondContact O-NE2 3.25Å; E317-Q320 VanDerWaalsContact O-NE2 3.17Å |
| 318 | I | 89.9 | Confident | 90.6 | Very high | 10 Ų | 10 | 23.9 Ų | 23.9 | 5% | 0.051 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -89.3 | -50.8 | 179.6 | -57.7 | -172.1 | 0 | 0 | 0 | 109.8 | F55 E56 R58 V315 G316 Q320 D321 Y322 A492 L496 | F55-I318 WeakPolarHBondContact O-CG2 3.36Å; E56-I318 WeakPolarHBondContact O-CD1 3.2Å; R58-I318 HydrophobicContact CB-CD1 4.48Å; R58-I318 HydrophobicContact CB-CG1 4.16Å; V315-I318 PolarHBondContact O-N 3.32Å; G316-I318 PolarHBondContact O-N 3.19Å; I318-Q320 VanDerWaalsContact C-N 3.28Å; I318-Q320 PolarHBondContact O-N 2.69Å; I318-D321 PolarHBondContact O-N 3.07Å; I318-Y322 WeakPolarHBondContact O-CE2 3.24Å; I318-A492 HydrophobicContact CD1-CB 3.5Å; I318-L496 HydrophobicContact CB-CD1 3.66Å; I318-L496 HydrophobicContact CD1-CD1 4.07Å; I318-L496 HydrophobicContact CG1-CD1 4.37Å; I318-L496 HydrophobicContact CG2-CD1 3.6Å |
| 319 | I | 88.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.9 | -27.6 | -172.3 | -156.4 | 166.7 | 0 | 0 | 0 | 112.9 | I276 F278 V315 D321 Y322 V405 L496 | I276-I319 HydrophobicContact CG2-CD1 4.16Å; I276-I319 HydrophobicContact CG2-CG1 4.16Å; F278-I319 HydrophobicContact CB-CD1 4.49Å; F278-I319 HydrophobicContact CB-CG2 3.99Å; F278-I319 HydrophobicContact CD1-CG2 3.53Å; F278-I319 HydrophobicContact CD2-CD1 3.71Å; F278-I319 HydrophobicContact CD2-CG1 4.46Å; F278-I319 HydrophobicContact CD2-CG2 3.66Å; F278-I319 HydrophobicContact CE1-CG2 3.76Å; F278-I319 HydrophobicContact CE2-CD1 4.18Å; F278-I319 HydrophobicContact CE2-CG2 3.86Å; F278-I319 HydrophobicContact CG-CD1 4.31Å; F278-I319 HydrophobicContact CG-CG2 3.45Å; F278-I319 VanDerWaalsContact CG-CG2 3.45Å; F278-I319 HydrophobicContact CZ-CG2 3.91Å; V315-I319 PolarHBondContact O-N 2.81Å; I319-D321 PolarHBondContact O-N 2.86Å; I319-Y322 PolarHBondContact O-N 2.82Å; I319-V405 HydrophobicContact CD1-CB 3.77Å; I319-V405 HydrophobicContact CD1-CG1 3.67Å; I319-V405 HydrophobicContact CD1-CG2 3.97Å; I319-L496 HydrophobicContact CD1-CD2 4.31Å |
| 320 | Q | 89.5 | Confident | 90.9 | Very high | 30 Ų | 30 | 24.4 Ų | 24.4 | 14% | 0.14 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -60.5 | -18.8 | 178 | 68.8 | 178.2 | -32.5 | 0 | 0 | 113.7 | G316 E317 I318 Y322 K326 F328 I361 | G316-Q320 WeakPolarHBondContact O-CB 3.38Å; G316-Q320 VanDerWaalsContact O-CG 3.31Å; G316-Q320 WeakPolarHBondContact O-CG 3.34Å; G316-Q320 PolarHBondContact O-N 3.38Å; G316-Q320 VanDerWaalsContact O-N 3.14Å; E317-Q320 VanDerWaalsContact CA-NE2 3.34Å; E317-Q320 WeakPolarHBondContact O-CG 3.4Å; E317-Q320 PolarHBondContact O-NE2 3.25Å; E317-Q320 VanDerWaalsContact O-NE2 3.17Å; I318-Q320 VanDerWaalsContact C-N 3.28Å; I318-Q320 PolarHBondContact O-N 2.69Å; Q320-Y322 PolarHBondContact O-N 3.02Å; Q320-K326 PolarHBondContact O-NZ 3.22Å; Q320-F328 HydrophobicContact CB-CE2 3.81Å; Q320-F328 HydrophobicContact CB-CZ 3.44Å; Q320-F328 VanDerWaalsContact CB-CZ 3.44Å; Q320-I361 HydrophobicContact CB-CG1 4.43Å |
| 321 | D | 89 | Confident | 91.2 | Very high | 19 Ų | 19 | 23.7 Ų | 23.7 | 10% | 0.102 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -73.6 | -14.3 | 178.2 | -74.1 | -14.7 | 0 | 0 | 0 | 112.7 | T87 I318 I319 K326 | T87-D321 PolarHBondContact OG1-OD2 3.13Å; I318-D321 PolarHBondContact O-N 3.07Å; I319-D321 PolarHBondContact O-N 2.86Å; D321-K326 IonicContact OD1-NZ 3.14Å |
| 322 | Y | 86.8 | Confident | 91.4 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 4% | 0.043 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -107.2 | 3.4 | 179.3 | -51 | -86 | 0 | 0 | 0 | 113.1 | Y53 F55 V92 F266 I270 I276 I318 I319 Q320 | Y53-Y322 WeakPolarHBondContact OH-CE1 3.4Å; Y53-Y322 VanDerWaalsContact OH-CZ 3.29Å; Y53-Y322 PolarHBondContact OH-OH 3.33Å; F55-Y322 HydrophobicContact CD2-CD2 4.38Å; F55-Y322 HydrophobicContact CD2-CE1 4.11Å; F55-Y322 AromaticContact CD2-CE2 3.78Å; F55-Y322 HydrophobicContact CD2-CE2 3.78Å; F55-Y322 AromaticContact CD2-CZ 3.63Å; F55-Y322 HydrophobicContact CE2-CD1 4.4Å; F55-Y322 AromaticContact CE2-CD2 3.75Å; F55-Y322 HydrophobicContact CE2-CD2 3.75Å; F55-Y322 HydrophobicContact CE2-CE1 4.25Å; F55-Y322 AromaticContact CE2-CE2 3.56Å; F55-Y322 HydrophobicContact CE2-CE2 3.56Å; F55-Y322 HydrophobicContact CE2-CG 4.17Å; F55-Y322 AromaticContact CE2-CZ 3.84Å; V92-Y322 HydrophobicContact CG2-CE1 4.13Å; F266-Y322 HydrophobicContact CE1-CD1 4.42Å; F266-Y322 HydrophobicContact CE1-CE1 4.39Å; I270-Y322 HydrophobicContact CG1-CD1 4.5Å; I270-Y322 HydrophobicContact CG2-CD1 4.3Å; I276-Y322 PolarHBondContact N-O 3.07Å; I318-Y322 WeakPolarHBondContact O-CE2 3.24Å; I319-Y322 PolarHBondContact O-N 2.82Å; Q320-Y322 PolarHBondContact O-N 3.02Å |
| 323 | D | 86.2 | Confident | 91.5 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.032 | 12% | 0.124 | C | C | . | . | trans | -103.4 | 126.7 | 170.3 | -169.3 | -56.2 | 0 | 0 | 0 | 109.1 | I276 D325 K326 F328 | I276-D323 WeakPolarHBondContact O-CB 3.24Å; D323-D325 PolarHBondContact OD1-N 3.28Å; D323-D325 VanDerWaalsContact OD1-N 3.08Å; D323-K326 PolarHBondContact OD1-N 3.11Å; D323-F328 HydrophobicContact CB-CE1 3.64Å; D323-F328 HydrophobicContact CB-CZ 4.05Å; D323-F328 WeakPolarHBondContact OD2-CE1 3.46Å | ||
| 324 | S | 80.9 | Confident | 91.7 | Very high | 83 Ų | 83 | 21.1 Ų | 21.1 | 58% | 0.58 | 11% | 0.113 | S | C | * | . | S | Bend | trans | -77.8 | -33.3 | -171.3 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | Q275 | Q275-S324 PolarHBondContact NE2-OG 3.23Š|
| 325 | D | 86.3 | Confident | 92 | Very high | 91 Ų | 91 | 20.9 Ų | 20.9 | 49% | 0.487 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -99.4 | -16 | -178.2 | 70.3 | 15.7 | 0 | 0 | 0 | 112 | D323 M327 | D323-D325 PolarHBondContact OD1-N 3.28Å; D323-D325 VanDerWaalsContact OD1-N 3.08Å; D325-M327 HydrophobicContact CB-CG 4.29Å; D325-M327 PolarHBondContact O-N 2.79Å; D325-M327 WeakPolarHBondContact OD1-CB 3.05Å; D325-M327 PolarHBondContact OD1-N 2.76Å |
| 326 | K | 91.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 23.4 Ų | 23.4 | 29% | 0.291 | 12% | 0.122 | S | C | . | . | trans | 56.4 | 32.6 | -179 | -56.3 | -179.5 | -178.1 | -74.1 | 0 | 111.5 | Q320 D321 D323 F328 G360 | Q320-K326 PolarHBondContact O-NZ 3.22Å; D321-K326 IonicContact OD1-NZ 3.14Å; D323-K326 PolarHBondContact OD1-N 3.11Å; K326-F328 HydrophobicContact CB-CE2 4.24Å; K326-F328 HydrophobicContact CB-CZ 4.15Å; K326-G360 PolarHBondContact O-N 3.17Å | ||
| 327 | M | 94.4 | Very high | 92.4 | Very high | 62 Ų | 62 | 25.4 Ų | 25.4 | 31% | 0.305 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 110.8 | 175.4 | -64.2 | -62.7 | -59.2 | 0 | 0 | 108.8 | D325 Y357 C358 A359 | D325-M327 HydrophobicContact CB-CG 4.29Å; D325-M327 PolarHBondContact O-N 2.79Å; D325-M327 WeakPolarHBondContact OD1-CB 3.05Å; D325-M327 PolarHBondContact OD1-N 2.76Å; M327-Y357 HydrophobicContact CB-CD1 3.8Å; M327-Y357 VanDerWaalsContact O-CD1 3.28Å; M327-Y357 WeakPolarHBondContact O-CD1 3.47Å; M327-C358 WeakPolarHBondContact CA-O 3.36Å; M327-A359 HydrophobicContact SD-CB 3.95Å |
| 328 | F | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 121.6 | -171.4 | -56.1 | -57.6 | 0 | 0 | 0 | 111.6 | F278 Q320 D323 K326 A330 Y357 C358 I361 V364 | F278-F328 HydrophobicContact CB-CD1 3.76Å; F278-F328 HydrophobicContact CB-CE1 3.89Å; F278-F328 HydrophobicContact CD1-CD1 4.06Å; F278-F328 HydrophobicContact CD1-CE1 4.4Å; F278-F328 HydrophobicContact CD1-CG 4.36Å; F278-F328 HydrophobicContact CG-CD1 4.41Å; F278-F328 WeakPolarHBondContact O-CD1 3.39Å; Q320-F328 HydrophobicContact CB-CE2 3.81Å; Q320-F328 HydrophobicContact CB-CZ 3.44Å; Q320-F328 VanDerWaalsContact CB-CZ 3.44Å; D323-F328 HydrophobicContact CB-CE1 3.64Å; D323-F328 HydrophobicContact CB-CZ 4.05Å; D323-F328 WeakPolarHBondContact OD2-CE1 3.46Å; K326-F328 HydrophobicContact CB-CE2 4.24Å; K326-F328 HydrophobicContact CB-CZ 4.15Å; F328-A330 PolarHBondContact O-N 3.41Å; F328-Y357 CarbonylContact O-C 3.59Å; F328-Y357 WeakPolarHBondContact O-CA 3.45Å; F328-C358 PolarHBondContact N-O 3.19Å; F328-C358 PolarHBondContact O-N 2.82Å; F328-I361 HydrophobicContact CD2-CD1 3.94Å; F328-I361 HydrophobicContact CE2-CD1 3.99Å; F328-I361 HydrophobicContact CE2-CG1 4.41Å; F328-V364 HydrophobicContact CB-CG2 3.85Å; F328-V364 HydrophobicContact CD2-CG2 4.41Å |
| 329 | P | 96.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 33.1 Ų | 33.1 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 124.3 | 167.7 | -23.3 | 34.4 | 0 | 0 | 0 | 110.8 | F278 T279 V280 P356 Y357 | F278-P329 WeakPolarHBondContact O-CD 3.12Å; T279-P329 HydrophobicContact CG2-CB 4.06Å; V280-P329 PolarHBondContact N-O 3.29Å; P329-P356 WeakPolarHBondContact CA-O 3.47Å; P329-P356 HydrophobicContact CB-CG 4.23Å; P329-Y357 HydrophobicContact CG-CD1 3.84Å; P329-Y357 HydrophobicContact CG-CD2 4.46Å; P329-Y357 HydrophobicContact CG-CE1 3.52Å; P329-Y357 HydrophobicContact CG-CE2 4.18Å; P329-Y357 HydrophobicContact CG-CG 4.32Å |
| 330 | A | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 110.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | F328 L349 P356 V364 | F328-A330 PolarHBondContact O-N 3.41Å; A330-L349 HydrophobicContact CB-CB 4.08Å; A330-L349 HydrophobicContact CB-CD1 4.1Å; A330-L349 HydrophobicContact CB-CG 4.31Å; A330-L349 PolarHBondContact O-N 2.86Å; A330-P356 PolarHBondContact N-O 3.26Å; A330-V364 HydrophobicContact CB-CG1 3.94Å; A330-V364 HydrophobicContact CB-CG2 4.35Å |
| 331 | L | 98.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 147.3 | -175.4 | -56 | 177.5 | 0 | 0 | 0 | 111.2 | T279 V280 A281 I282 E346 F347 P356 V386 | T279-L331 HydrophobicContact CG2-CD1 4.12Å; V280-L331 PolarHBondContact O-N 3.47Å; A281-L331 CarbonylContact C-O 3.58Å; A281-L331 VanDerWaalsContact CA-O 3.29Å; A281-L331 WeakPolarHBondContact CA-O 3.5Å; A281-L331 HydrophobicContact CB-CB 4.48Å; I282-L331 PolarHBondContact N-O 2.65Å; L331-E346 HydrophobicContact CD1-CG 4.41Å; L331-F347 CarbonylContact C-O 3.55Å; L331-F347 VanDerWaalsContact CA-O 3.27Å; L331-F347 WeakPolarHBondContact CA-O 3.46Å; L331-P356 HydrophobicContact CD2-CB 4.09Å; L331-V386 HydrophobicContact CD1-CG1 4.49Å |
| 332 | G | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 157.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I282 E346 F347 | I282-G332 CarbonylContact O-C 3.58Å; I282-G332 VanDerWaalsContact O-CA 3.26Å; I282-G332 WeakPolarHBondContact O-CA 3.09Å; G332-E346 CarbonylContact O-C 3.48Å; G332-E346 VanDerWaalsContact O-CA 3.28Å; G332-E346 WeakPolarHBondContact O-CA 3.38Å; G332-F347 VanDerWaalsContact C-CD1 3.48Å; G332-F347 PolarHBondContact N-O 3.06Å; G332-F347 WeakPolarHBondContact O-CD1 3.14Å; G332-F347 WeakPolarHBondContact O-CE1 3.35Å; G332-F347 PolarHBondContact O-N 2.8Å |
| 333 | F | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 151.9 | 174.5 | 62.5 | -89.4 | 0 | 0 | 0 | 112.3 | A281 I282 D283 F284 H345 T381 F383 V386 I408 | A281-F333 HydrophobicContact CB-CD1 4.21Å; A281-F333 HydrophobicContact CB-CE1 4.15Å; I282-F333 VanDerWaalsContact C-CE1 3.41Å; I282-F333 VanDerWaalsContact O-CD1 3.29Å; I282-F333 WeakPolarHBondContact O-CD1 3.39Å; I282-F333 PolarHBondContact O-N 2.85Å; D283-F333 VanDerWaalsContact CA-CZ 3.49Å; D283-F333 HydrophobicContact CB-CE1 4.17Å; D283-F333 HydrophobicContact CB-CE2 3.73Å; D283-F333 HydrophobicContact CB-CZ 3.49Å; D283-F333 VanDerWaalsContact CB-CZ 3.49Å; F284-F333 PolarHBondContact N-O 3.37Å; F333-H345 WeakPolarHBondContact CB-O 3.2Å; F333-T381 HydrophobicContact CE2-CG2 3.96Å; F333-F383 AromaticContact CE2-CD1 3.82Å; F333-F383 HydrophobicContact CE2-CD1 3.82Å; F333-F383 AromaticContact CE2-CE1 3.66Å; F333-F383 HydrophobicContact CE2-CE1 3.66Å; F333-F383 AromaticContact CZ-CD1 3.85Å; F333-F383 HydrophobicContact CZ-CD1 3.85Å; F333-F383 AromaticContact CZ-CE1 3.62Å; F333-F383 HydrophobicContact CZ-CE1 3.62Å; F333-V386 HydrophobicContact CB-CG1 4.38Å; F333-V386 HydrophobicContact CD1-CG1 4.27Å; F333-I408 HydrophobicContact CE1-CG2 4.01Å; F333-I408 HydrophobicContact CZ-CG2 3.93Å |
| 334 | G | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 86.1 | 23.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F284 S344 Y378 G379 | F284-G334 VanDerWaalsContact O-O 3.11Å; G334-S344 PolarHBondContact N-O 2.87Å; G334-Y378 CarbonylContact O-C 3.45Å; G334-Y378 VanDerWaalsContact O-CA 3.28Å; G334-Y378 WeakPolarHBondContact O-CA 3.38Å; G334-Y378 PolarHBondContact O-N 2.93Å; G334-G379 PolarHBondContact O-N 3.28Å |
| 335 | A | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 161.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F284 V343 S344 F347 V375 Q376 | F284-A335 HydrophobicContact CB-CB 3.85Å; A335-V343 CarbonylContact O-C 3.6Å; A335-V343 WeakPolarHBondContact O-CA 3.44Å; A335-S344 PolarHBondContact N-O 2.99Å; A335-S344 PolarHBondContact O-N 2.91Å; A335-F347 HydrophobicContact CB-CE1 3.65Å; A335-F347 HydrophobicContact CB-CZ 3.87Å; A335-V375 HydrophobicContact CB-CB 4.02Å; A335-V375 HydrophobicContact CB-CG2 3.94Å; A335-Q376 CarbonylContact C-O 3.46Å; A335-Q376 WeakPolarHBondContact CA-O 3.33Å |
| 336 | K | 97 | Very high | 94.8 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 23% | 0.226 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.2 | 162.5 | -73 | 178.3 | 176.7 | 176.1 | 0 | 109.6 | G341 R342 V343 Q376 Y378 | K336-G341 WeakPolarHBondContact CD-O 3.08Å; K336-G341 VanDerWaalsContact CG-O 3.29Å; K336-G341 WeakPolarHBondContact CG-O 3.34Å; K336-R342 WeakPolarHBondContact CA-O 3.29Å; K336-V343 HydrophobicContact CG-CG2 3.89Å; K336-Q376 HydrophobicContact CB-CB 4.15Å; K336-Q376 PolarHBondContact N-O 3.19Å; K336-Q376 PolarHBondContact O-N 3.36Å; K336-Y378 HydrophobicContact CD-CD1 4.45Å; K336-Y378 HydrophobicContact CD-CD2 4.13Å; K336-Y378 HydrophobicContact CD-CG 4.07Å; K336-Y378 HydrophobicContact CG-CD1 4.09Å; K336-Y378 HydrophobicContact CG-CD2 4.45Å; K336-Y378 HydrophobicContact CG-CG 3.89Å |
| 337 | L | 94.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143.1 | -178.1 | -55.2 | 178.8 | 0 | 0 | 0 | 111.2 | G341 R342 F347 V375 | L337-G341 WeakPolarHBondContact O-CA 3.36Å; L337-G341 PolarHBondContact O-N 2.84Å; L337-R342 PolarHBondContact N-O 2.88Å; L337-R342 PolarHBondContact O-N 3.4Å; L337-F347 HydrophobicContact CD1-CB 3.75Å; L337-F347 HydrophobicContact CD1-CG 4.25Å; L337-F347 HydrophobicContact CD2-CB 4.07Å; L337-F347 HydrophobicContact CD2-CD1 3.84Å; L337-F347 HydrophobicContact CD2-CD2 3.83Å; L337-F347 HydrophobicContact CD2-CE1 4.19Å; L337-F347 HydrophobicContact CD2-CE2 4.19Å; L337-F347 HydrophobicContact CD2-CG 3.64Å; L337-F347 HydrophobicContact CD2-CZ 4.35Å; L337-V375 HydrophobicContact CD2-CB 4.43Å; L337-V375 HydrophobicContact CD2-CG1 3.69Å |
| 338 | P | 91 | Very high | 95.2 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 51% | 0.506 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 158.6 | 167.2 | 31.1 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 339 | P | 90.3 | Very high | 95.3 | Very high | 137 Ų | 137 | 41.7 Ų | 41.7 | 89% | 0.89 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -89.1 | -14.1 | -2.5 | 35.2 | -34.9 | 0 | 0 | 0 | 114 | ||
| 340 | D | 90.7 | Very high | 95.2 | Very high | 120 Ų | 120 | 43.8 Ų | 43.8 | 64% | 0.642 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -8.1 | -170 | 64 | -11.5 | 0 | 0 | 0 | 113.8 | R342 | D340-R342 VanDerWaalsContact C-N 3.26Å; D340-R342 PolarHBondContact O-N 2.8Å; D340-R342 WeakPolarHBondContact OD1-CB 3.21Å; D340-R342 PolarHBondContact OD1-N 3.24Å |
| 341 | G | 91 | Very high | 95 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 23.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K336 L337 V343 | K336-G341 WeakPolarHBondContact CD-O 3.08Å; K336-G341 VanDerWaalsContact CG-O 3.29Å; K336-G341 WeakPolarHBondContact CG-O 3.34Å; L337-G341 WeakPolarHBondContact O-CA 3.36Å; L337-G341 PolarHBondContact O-N 2.84Å; G341-V343 PolarHBondContact O-N 3.02Å |
| 342 | R | 93.7 | Very high | 94.8 | Very high | 182 Ų | 182 | 49.9 Ų | 49.9 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 130.6 | 178.6 | 178.3 | 177.3 | 170.9 | -174 | -2.8 | 110.4 | K336 L337 D340 S344 | K336-R342 WeakPolarHBondContact CA-O 3.29Å; L337-R342 PolarHBondContact N-O 2.88Å; L337-R342 PolarHBondContact O-N 3.4Å; D340-R342 VanDerWaalsContact C-N 3.26Å; D340-R342 PolarHBondContact O-N 2.8Å; D340-R342 WeakPolarHBondContact OD1-CB 3.21Å; D340-R342 PolarHBondContact OD1-N 3.24Å; R342-S344 PolarHBondContact O-N 3.23Å |
| 343 | V | 95 | Very high | 94.5 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 127.8 | 172.6 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | A335 K336 G341 Y378 | A335-V343 CarbonylContact O-C 3.6Å; A335-V343 WeakPolarHBondContact O-CA 3.44Å; K336-V343 HydrophobicContact CG-CG2 3.89Å; G341-V343 PolarHBondContact O-N 3.02Å; V343-Y378 HydrophobicContact CB-CD1 4.31Å; V343-Y378 HydrophobicContact CG1-CD1 3.89Å; V343-Y378 HydrophobicContact CG1-CE1 4.34Å; V343-Y378 HydrophobicContact CG2-CD1 3.46Å; V343-Y378 VanDerWaalsContact CG2-CD1 3.46Å; V343-Y378 HydrophobicContact CG2-CE1 3.48Å; V343-Y378 VanDerWaalsContact CG2-CE1 3.48Å |
| 344 | S | 95.4 | Very high | 94.2 | Very high | 23 Ų | 23 | 62.3 Ų | 62.3 | 16% | 0.161 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.7 | 175 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | G334 A335 R342 E346 | G334-S344 PolarHBondContact N-O 2.87Å; A335-S344 PolarHBondContact N-O 2.99Å; A335-S344 PolarHBondContact O-N 2.91Å; R342-S344 PolarHBondContact O-N 3.23Å; S344-E346 PolarHBondContact OG-N 3.27Å; S344-E346 PolarHBondContact OG-O 2.93Å |
| 345 | H | 94.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 65.9 Ų | 65.9 | 20% | 0.199 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -103.4 | 11.3 | 171.6 | -60 | -70.5 | 0 | 0 | 0 | 112.1 | F333 P380 N382 P385 | F333-H345 WeakPolarHBondContact CB-O 3.2Å; H345-P380 PolarHBondContact CE1-O 3.32Å; H345-P380 PolarHBondContact ND1-O 3.06Å; H345-N382 HydrophobicContact CB-CB 4.33Å; H345-N382 PolarHBondContact CE1-ND2 3.3Å; H345-N382 PolarHBondContact ND1-ND2 3.14Å; H345-N382 PolarHBondContact NE2-ND2 3.18Å; H345-P385 HydrophobicContact CB-CB 4.3Å; H345-P385 HydrophobicContact CB-CG 3.81Å |
| 346 | E | 95.9 | Very high | 94 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 29% | 0.285 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -165 | 120 | 172.4 | -177.3 | -167.1 | 118.6 | 0 | 0 | 108.8 | L331 G332 S344 P385 V386 H389 | L331-E346 HydrophobicContact CD1-CG 4.41Å; G332-E346 CarbonylContact O-C 3.48Å; G332-E346 VanDerWaalsContact O-CA 3.28Å; G332-E346 WeakPolarHBondContact O-CA 3.38Å; S344-E346 PolarHBondContact OG-N 3.27Å; S344-E346 PolarHBondContact OG-O 2.93Å; E346-P385 HydrophobicContact CB-CB 4.45Å; E346-V386 HydrophobicContact CB-CG1 4.46Å; E346-V386 HydrophobicContact CG-CG1 4.37Å; E346-H389 IonicContact OE1-CE1 2.98Å; E346-H389 PolarHBondContact OE1-CE1 3.3Å; E346-H389 IonicContact OE1-CG 3.19Å; E346-H389 IonicContact OE1-ND1 3.48Å; E346-H389 PolarHBondContact OE1-ND1 2.9Å; E346-H389 WeakPolarHBondContact OE2-CB 3.43Å; E346-H389 IonicContact OE2-CG 3.86Å; E346-H389 IonicContact OE2-ND1 2.74Å; E346-H389 PolarHBondContact OE2-ND1 2.97Å |
| 347 | F | 96.9 | Very high | 94 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150.2 | 174.7 | 61.1 | -89.9 | 0 | 0 | 0 | 111.6 | F284 L331 G332 A335 L337 L349 S371 V375 | F284-F347 HydrophobicContact CB-CZ 4.27Å; F284-F347 HydrophobicContact CD1-CZ 4.38Å; F284-F347 HydrophobicContact CD2-CZ 4.05Å; F284-F347 HydrophobicContact CE2-CZ 4.47Å; F284-F347 HydrophobicContact CG-CZ 4Å; L331-F347 CarbonylContact C-O 3.55Å; L331-F347 VanDerWaalsContact CA-O 3.27Å; L331-F347 WeakPolarHBondContact CA-O 3.46Å; G332-F347 VanDerWaalsContact C-CD1 3.48Å; G332-F347 PolarHBondContact N-O 3.06Å; G332-F347 WeakPolarHBondContact O-CD1 3.14Å; G332-F347 WeakPolarHBondContact O-CE1 3.35Å; G332-F347 PolarHBondContact O-N 2.8Å; A335-F347 HydrophobicContact CB-CE1 3.65Å; A335-F347 HydrophobicContact CB-CZ 3.87Å; L337-F347 HydrophobicContact CD1-CB 3.75Å; L337-F347 HydrophobicContact CD1-CG 4.25Å; L337-F347 HydrophobicContact CD2-CB 4.07Å; L337-F347 HydrophobicContact CD2-CD1 3.84Å; L337-F347 HydrophobicContact CD2-CD2 3.83Å; L337-F347 HydrophobicContact CD2-CE1 4.19Å; L337-F347 HydrophobicContact CD2-CE2 4.19Å; L337-F347 HydrophobicContact CD2-CG 3.64Å; L337-F347 HydrophobicContact CD2-CZ 4.35Å; F347-L349 HydrophobicContact CD2-CD2 4.35Å; F347-L349 HydrophobicContact CE2-CD2 3.72Å; F347-L349 HydrophobicContact CZ-CD2 4.36Å; F347-L349 PolarHBondContact O-N 3.46Å; F347-S371 WeakPolarHBondContact CE2-OG 3.49Å; F347-V375 HydrophobicContact CE2-CG1 4.05Å; F347-V375 HydrophobicContact CZ-CG1 4.33Å |
| 348 | A | 97.3 | Very high | 94.1 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 123.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N350 G351 N352 P356 | A348-N350 WeakPolarHBondContact CB-OD1 3.46Å; A348-N350 PolarHBondContact O-N 2.64Å; A348-G351 PolarHBondContact O-N 2.68Å; A348-G351 VanDerWaalsContact O-N 3.07Å; A348-N352 WeakPolarHBondContact CB-O 3.13Å; A348-P356 HydrophobicContact CB-CB 3.83Å |
| 349 | L | 97.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -31.4 | -179.3 | -65.7 | -174.9 | 0 | 0 | 0 | 112.3 | I282 F284 A330 F347 G351 A367 | I282-L349 HydrophobicContact CB-CD1 4.48Å; I282-L349 HydrophobicContact CD1-CD1 3.81Å; I282-L349 HydrophobicContact CG1-CD1 4.26Å; F284-L349 HydrophobicContact CD2-CD2 4.45Å; F284-L349 HydrophobicContact CE2-CD2 3.55Å; F284-L349 HydrophobicContact CZ-CD2 3.78Å; A330-L349 HydrophobicContact CB-CB 4.08Å; A330-L349 HydrophobicContact CB-CD1 4.1Å; A330-L349 HydrophobicContact CB-CG 4.31Å; A330-L349 PolarHBondContact O-N 2.86Å; F347-L349 HydrophobicContact CD2-CD2 4.35Å; F347-L349 HydrophobicContact CE2-CD2 3.72Å; F347-L349 HydrophobicContact CZ-CD2 4.36Å; F347-L349 PolarHBondContact O-N 3.46Å; L349-G351 PolarHBondContact O-N 2.94Å; L349-A367 HydrophobicContact CB-CB 3.93Å |
| 350 | N | 95.4 | Very high | 94.6 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 31% | 0.31 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 0.3 | 176.9 | 71.5 | 0.5 | 0 | 0 | 0 | 113.7 | A348 N352 N355 Y357 A367 | A348-N350 WeakPolarHBondContact CB-OD1 3.46Å; A348-N350 PolarHBondContact O-N 2.64Å; N350-N352 VanDerWaalsContact C-N 3.28Å; N350-N352 PolarHBondContact O-N 2.86Å; N350-N352 PolarHBondContact OD1-N 2.86Å; N350-N355 PolarHBondContact ND2-O 2.89Å; N350-Y357 PolarHBondContact ND2-O 3.31Å; N350-A367 HydrophobicContact CB-CB 4.17Å |
| 351 | G | 93.4 | Very high | 94.8 | Very high | 65 Ų | 65 | 55 Ų | 55 | 67% | 0.67 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 76.5 | 6.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A348 L349 P353 | A348-G351 PolarHBondContact O-N 2.68Å; A348-G351 VanDerWaalsContact O-N 3.07Å; L349-G351 PolarHBondContact O-N 2.94Å; G351-P353 WeakPolarHBondContact O-CD 3.25Å |
| 352 | N | 93.7 | Very high | 95 | Very high | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | trans | -114.6 | 94.9 | 178.2 | -173.9 | -14.2 | 0 | 0 | 0 | 111.3 | A348 N350 Q354 N355 | A348-N352 WeakPolarHBondContact CB-O 3.13Å; N350-N352 VanDerWaalsContact C-N 3.28Å; N350-N352 PolarHBondContact O-N 2.86Å; N350-N352 PolarHBondContact OD1-N 2.86Å; N352-Q354 PolarHBondContact O-N 2.77Å; N352-Q354 VanDerWaalsContact O-N 3.17Å; N352-Q354 PolarHBondContact OD1-N 3.03Å; N352-Q354 VanDerWaalsContact OD1-N 3.07Å; N352-Q354 PolarHBondContact OD1-OE1 3.14Å; N352-N355 CarbonylContact O-C 3.14Å; N352-N355 PolarHBondContact O-N 3.27Å; N352-N355 PolarHBondContact OD1-N 3.23Å | ||
| 353 | P | 90.1 | Very high | 95.1 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 62% | 0.623 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.1 | -180 | -23.3 | 34.3 | 0 | 0 | 0 | 114.6 | G351 | G351-P353 WeakPolarHBondContact O-CD 3.25Š|
| 354 | Q | 92.9 | Very high | 95.2 | Very high | 166 Ų | 166 | 48.7 Ų | 48.7 | 78% | 0.776 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -21.3 | 178 | -67.7 | 74.1 | 32.5 | 0 | 0 | 112.4 | N352 | N352-Q354 PolarHBondContact O-N 2.77Å; N352-Q354 VanDerWaalsContact O-N 3.17Å; N352-Q354 PolarHBondContact OD1-N 3.03Å; N352-Q354 VanDerWaalsContact OD1-N 3.07Å; N352-Q354 PolarHBondContact OD1-OE1 3.14Å |
| 355 | N | 93.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 48 Ų | 48 | 40% | 0.401 | 28% | 0.277 | S | S | . | . | trans | -146.5 | 85.5 | -179.7 | -177.7 | 12.9 | 0 | 0 | 0 | 110.1 | N350 N352 Y357 | N350-N355 PolarHBondContact ND2-O 2.89Å; N352-N355 CarbonylContact O-C 3.14Å; N352-N355 PolarHBondContact O-N 3.27Å; N352-N355 PolarHBondContact OD1-N 3.23Å; N355-Y357 PolarHBondContact O-N 2.8Å; N355-Y357 WeakPolarHBondContact OD1-CB 3.35Å; N355-Y357 WeakPolarHBondContact OD1-CD2 3.46Å; N355-Y357 PolarHBondContact OD1-N 3.14Å | ||
| 356 | P | 95.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | trans | -76.7 | 5.3 | -178.5 | 32.8 | -37.2 | 0 | 0 | 0 | 113.8 | P329 A330 L331 A348 | P329-P356 WeakPolarHBondContact CA-O 3.47Å; P329-P356 HydrophobicContact CB-CG 4.23Å; A330-P356 PolarHBondContact N-O 3.26Å; L331-P356 HydrophobicContact CD2-CB 4.09Å; A348-P356 HydrophobicContact CB-CB 3.83Å | ||
| 357 | Y | 96.3 | Very high | 95.4 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 36% | 0.361 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 136.8 | -172.4 | -68.4 | -103.7 | 0 | 0 | 0 | 112.2 | M327 F328 P329 N350 N355 | M327-Y357 HydrophobicContact CB-CD1 3.8Å; M327-Y357 VanDerWaalsContact O-CD1 3.28Å; M327-Y357 WeakPolarHBondContact O-CD1 3.47Å; F328-Y357 CarbonylContact O-C 3.59Å; F328-Y357 WeakPolarHBondContact O-CA 3.45Å; P329-Y357 HydrophobicContact CG-CD1 3.84Å; P329-Y357 HydrophobicContact CG-CD2 4.46Å; P329-Y357 HydrophobicContact CG-CE1 3.52Å; P329-Y357 HydrophobicContact CG-CE2 4.18Å; P329-Y357 HydrophobicContact CG-CG 4.32Å; N350-Y357 PolarHBondContact ND2-O 3.31Å; N355-Y357 PolarHBondContact O-N 2.8Å; N355-Y357 WeakPolarHBondContact OD1-CB 3.35Å; N355-Y357 WeakPolarHBondContact OD1-CD2 3.46Å; N355-Y357 PolarHBondContact OD1-N 3.14Å |
| 358 | C | 96.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 141.3 | 176.1 | -65.6 | 0 | 0 | 0 | 0 | 110.4 | M327 F328 G360 V364 | M327-C358 WeakPolarHBondContact CA-O 3.36Å; F328-C358 PolarHBondContact N-O 3.19Å; F328-C358 PolarHBondContact O-N 2.82Å; C358-G360 PolarHBondContact O-N 2.94Å; C358-V364 HydrophobicContact CB-CB 4.47Å; C358-V364 HydrophobicContact CB-CG2 3.78Å |
| 359 | A | 95.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 50.7 Ų | 50.7 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 108.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | M327 G363 | M327-A359 HydrophobicContact SD-CB 3.95Å; A359-G363 WeakPolarHBondContact O-CA 3.47Å; A359-G363 PolarHBondContact O-N 2.82Å |
| 360 | G | 94.9 | Very high | 95.3 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 14% | 0.144 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | 67.1 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K326 C358 E362 G363 V364 | K326-G360 PolarHBondContact O-N 3.17Å; C358-G360 PolarHBondContact O-N 2.94Å; G360-E362 VanDerWaalsContact C-N 3.27Å; G360-E362 PolarHBondContact O-N 2.96Å; G360-G363 PolarHBondContact O-N 2.75Å; G360-G363 VanDerWaalsContact O-N 3.17Å; G360-V364 PolarHBondContact O-N 2.81Å |
| 361 | I | 95 | Very high | 95.3 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -33.7 | 176.3 | -59.7 | -54.9 | 0 | 0 | 0 | 112 | F278 L312 G316 Q320 F328 G363 V364 M365 | F278-I361 HydrophobicContact CD1-CD1 4.34Å; F278-I361 HydrophobicContact CE1-CD1 4.09Å; L312-I361 HydrophobicContact CG-CG2 4.47Å; G316-I361 VanDerWaalsContact C-CG1 3.43Å; G316-I361 WeakPolarHBondContact O-CG1 3.07Å; Q320-I361 HydrophobicContact CB-CG1 4.43Å; F328-I361 HydrophobicContact CD2-CD1 3.94Å; F328-I361 HydrophobicContact CE2-CD1 3.99Å; F328-I361 HydrophobicContact CE2-CG1 4.41Å; I361-G363 VanDerWaalsContact C-N 3.29Å; I361-G363 PolarHBondContact O-N 2.75Å; I361-V364 PolarHBondContact O-N 2.83Å; I361-M365 HydrophobicContact CG2-CG 4.32Å; I361-M365 WeakPolarHBondContact O-CB 3.26Å; I361-M365 VanDerWaalsContact O-CG 3.25Å; I361-M365 WeakPolarHBondContact O-CG 3.39Å; I361-M365 PolarHBondContact O-N 2.87Å |
| 362 | E | 94.8 | Very high | 95.4 | Very high | 117 Ų | 117 | 50.1 Ų | 50.1 | 55% | 0.547 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 175 | -64.2 | -62.4 | 150.9 | 0 | 0 | 111.5 | K313 G360 M365 E366 | K313-E362 IonicContact NZ-OE1 3.72Å; K313-E362 PolarHBondContact NZ-OE1 3.06Å; G360-E362 VanDerWaalsContact C-N 3.27Å; G360-E362 PolarHBondContact O-N 2.96Å; E362-M365 WeakPolarHBondContact O-CB 3.4Å; E362-M365 PolarHBondContact O-N 3.44Å; E362-E366 PolarHBondContact O-N 3.44Å |
| 363 | G | 96.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 16% | 0.155 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | A359 G360 I361 M365 E366 A367 | A359-G363 WeakPolarHBondContact O-CA 3.47Å; A359-G363 PolarHBondContact O-N 2.82Å; G360-G363 PolarHBondContact O-N 2.75Å; G360-G363 VanDerWaalsContact O-N 3.17Å; I361-G363 VanDerWaalsContact C-N 3.29Å; I361-G363 PolarHBondContact O-N 2.75Å; G363-M365 VanDerWaalsContact C-N 3.34Å; G363-E366 PolarHBondContact O-N 3.1Å; G363-A367 WeakPolarHBondContact O-CB 3.48Å; G363-A367 PolarHBondContact O-N 2.97Å |
| 364 | V | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | V280 L312 F328 A330 C358 G360 I361 A367 Y368 | V280-V364 HydrophobicContact CB-CG1 4.28Å; V280-V364 HydrophobicContact CG1-CG1 4.34Å; V280-V364 HydrophobicContact CG2-CG1 4.29Å; L312-V364 HydrophobicContact CD1-CG1 4.06Å; L312-V364 HydrophobicContact CD2-CB 4.37Å; L312-V364 HydrophobicContact CD2-CG1 3.69Å; L312-V364 HydrophobicContact CG-CG1 4.49Å; F328-V364 HydrophobicContact CB-CG2 3.85Å; F328-V364 HydrophobicContact CD2-CG2 4.41Å; A330-V364 HydrophobicContact CB-CG1 3.94Å; A330-V364 HydrophobicContact CB-CG2 4.35Å; C358-V364 HydrophobicContact CB-CB 4.47Å; C358-V364 HydrophobicContact CB-CG2 3.78Å; G360-V364 PolarHBondContact O-N 2.81Å; I361-V364 PolarHBondContact O-N 2.83Å; V364-A367 PolarHBondContact O-N 3.08Å; V364-Y368 WeakPolarHBondContact O-CB 3.41Å; V364-Y368 PolarHBondContact O-N 2.88Å |
| 365 | M | 96.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.6 | -73.2 | -71.9 | -69.7 | 0 | 0 | 111.8 | L305 A309 L312 I361 E362 G363 Y368 Y369 | L305-M365 HydrophobicContact CD2-CE 3.99Å; A309-M365 HydrophobicContact CB-CE 3.46Å; A309-M365 VanDerWaalsContact CB-CE 3.46Å; A309-M365 HydrophobicContact CB-SD 4.07Å; L312-M365 HydrophobicContact CB-SD 4.34Å; L312-M365 HydrophobicContact CD2-CG 4.02Å; L312-M365 HydrophobicContact CD2-SD 3.49Å; L312-M365 WeakPolarHBondContact CD2-SD 3.38Å; L312-M365 HydrophobicContact CG-SD 4.01Å; I361-M365 HydrophobicContact CG2-CG 4.32Å; I361-M365 WeakPolarHBondContact O-CB 3.26Å; I361-M365 VanDerWaalsContact O-CG 3.25Å; I361-M365 WeakPolarHBondContact O-CG 3.39Å; I361-M365 PolarHBondContact O-N 2.87Å; E362-M365 WeakPolarHBondContact O-CB 3.4Å; E362-M365 PolarHBondContact O-N 3.44Å; G363-M365 VanDerWaalsContact C-N 3.34Å; M365-Y368 PolarHBondContact O-N 3.37Å; M365-Y369 HydrophobicContact CE-CE2 3.75Å; M365-Y369 WeakPolarHBondContact O-CD2 3.23Å; M365-Y369 PolarHBondContact O-N 2.95Å; M365-Y369 VanDerWaalsContact O-N 3.09Å |
| 366 | E | 96.1 | Very high | 95.7 | Very high | 126 Ų | 126 | 47.4 Ų | 47.4 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.3 | -49 | 174.8 | -176.1 | 175.1 | -168.6 | 0 | 0 | 111.1 | E362 G363 Y368 Y369 Q370 | E362-E366 PolarHBondContact O-N 3.44Å; G363-E366 PolarHBondContact O-N 3.1Å; E366-Y368 VanDerWaalsContact C-N 3.34Å; E366-Y368 PolarHBondContact O-N 3.46Å; E366-Y369 PolarHBondContact O-N 3.44Å; E366-Q370 HydrophobicContact CG-CG 4.37Å; E366-Q370 VanDerWaalsContact O-CG 3.3Å; E366-Q370 WeakPolarHBondContact O-CG 3.32Å; E366-Q370 PolarHBondContact O-N 3.33Å |
| 367 | A | 97.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L349 N350 G363 V364 Q370 S371 | L349-A367 HydrophobicContact CB-CB 3.93Å; N350-A367 HydrophobicContact CB-CB 4.17Å; G363-A367 WeakPolarHBondContact O-CB 3.48Å; G363-A367 PolarHBondContact O-N 2.97Å; V364-A367 PolarHBondContact O-N 3.08Å; A367-Q370 PolarHBondContact O-N 3.37Å; A367-S371 VanDerWaalsContact O-CB 3.29Å; A367-S371 WeakPolarHBondContact O-CB 3.21Å; A367-S371 PolarHBondContact O-N 3.33Å |
| 368 | Y | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.3 | -51.1 | 174.5 | 163.6 | -117.8 | 0 | 0 | 0 | 112.2 | I282 F284 H298 N306 Y308 A309 V364 M365 E366 Q370 S371 L372 | I282-Y368 HydrophobicContact CD1-CD2 3.54Å; I282-Y368 HydrophobicContact CD1-CE2 4.2Å; I282-Y368 HydrophobicContact CD1-CG 3.85Å; I282-Y368 HydrophobicContact CG2-CD2 4.01Å; I282-Y368 HydrophobicContact CG2-CE2 3.84Å; F284-Y368 HydrophobicContact CE2-CD2 4.07Å; F284-Y368 HydrophobicContact CE2-CE2 4.34Å; F284-Y368 AromaticContact CZ-CD2 3.72Å; F284-Y368 HydrophobicContact CZ-CD2 3.72Å; F284-Y368 HydrophobicContact CZ-CE2 4.06Å; H298-Y368 AromaticContact ND1-CE2 3.71Å; H298-Y368 AromaticContact ND1-CZ 3.7Å; H298-Y368 PolarHBondContact ND1-OH 3.27Å; N306-Y368 PolarHBondContact ND2-OH 3.33Å; N306-Y368 PolarHBondContact OD1-OH 3.44Å; Y308-Y368 WeakPolarHBondContact CB-OH 3.5Å; A309-Y368 HydrophobicContact CB-CE1 4.43Å; V364-Y368 WeakPolarHBondContact O-CB 3.41Å; V364-Y368 PolarHBondContact O-N 2.88Å; M365-Y368 PolarHBondContact O-N 3.37Å; E366-Y368 VanDerWaalsContact C-N 3.34Å; E366-Y368 PolarHBondContact O-N 3.46Å; Y368-Q370 PolarHBondContact O-N 3.1Å; Y368-S371 PolarHBondContact O-N 2.96Å; Y368-L372 HydrophobicContact CD2-CD1 4.22Å; Y368-L372 HydrophobicContact CD2-CG 4.34Å; Y368-L372 HydrophobicContact CE1-CD1 4.04Å; Y368-L372 HydrophobicContact CE2-CD1 3.58Å; Y368-L372 HydrophobicContact CE2-CD2 4.41Å; Y368-L372 HydrophobicContact CE2-CG 3.94Å; Y368-L372 PolarHBondContact O-N 3.07Å |
| 369 | Y | 95.4 | Very high | 95.5 | Very high | 56 Ų | 56 | 48.9 Ų | 48.9 | 22% | 0.22 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.3 | -33.4 | -179.8 | -69.9 | -52.7 | 0 | 0 | 0 | 113.5 | M300 L305 A309 M365 E366 L372 K373 | M300-Y369 HydrophobicContact CG-CD1 3.74Å; M300-Y369 HydrophobicContact CG-CE1 3.95Å; M300-Y369 HydrophobicContact SD-CD1 3.72Å; M300-Y369 HydrophobicContact SD-CG 4.43Å; L305-Y369 WeakPolarHBondContact CD2-OH 3.37Å; A309-Y369 WeakPolarHBondContact CB-OH 3.45Å; M365-Y369 HydrophobicContact CE-CE2 3.75Å; M365-Y369 WeakPolarHBondContact O-CD2 3.23Å; M365-Y369 PolarHBondContact O-N 2.95Å; M365-Y369 VanDerWaalsContact O-N 3.09Å; E366-Y369 PolarHBondContact O-N 3.44Å; Y369-L372 HydrophobicContact CD1-CD1 4.37Å; Y369-K373 WeakPolarHBondContact O-CG 3.41Å |
| 370 | Q | 95.1 | Very high | 95.4 | Very high | 100 Ų | 100 | 48.5 Ų | 48.5 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.6 | -41.6 | 173.7 | -67 | -64 | -2.7 | 0 | 0 | 111.1 | E366 A367 Y368 L372 K373 | E366-Q370 HydrophobicContact CG-CG 4.37Å; E366-Q370 VanDerWaalsContact O-CG 3.3Å; E366-Q370 WeakPolarHBondContact O-CG 3.32Å; E366-Q370 PolarHBondContact O-N 3.33Å; A367-Q370 PolarHBondContact O-N 3.37Å; Y368-Q370 PolarHBondContact O-N 3.1Å; Q370-L372 PolarHBondContact O-N 3.45Å; Q370-K373 PolarHBondContact O-N 3.37Å |
| 371 | S | 96 | Very high | 95.4 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 4% | 0.035 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 178.1 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | F347 A367 Y368 K373 S374 V375 | F347-S371 WeakPolarHBondContact CE2-OG 3.49Å; A367-S371 VanDerWaalsContact O-CB 3.29Å; A367-S371 WeakPolarHBondContact O-CB 3.21Å; A367-S371 PolarHBondContact O-N 3.33Å; Y368-S371 PolarHBondContact O-N 2.96Å; S371-K373 PolarHBondContact O-N 3.05Å; S371-S374 PolarHBondContact O-N 3.4Å; S371-S374 PolarHBondContact O-OG 2.87Å; S371-V375 WeakPolarHBondContact O-CG2 3.18Å; S371-V375 PolarHBondContact O-N 2.96Å |
| 372 | L | 95.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 6% | 0.058 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.2 | -25.4 | 176.8 | -80.8 | 174.3 | 0 | 0 | 0 | 114.5 | F284 P291 H298 M300 Y368 Y369 Q370 L377 | F284-L372 HydrophobicContact CD1-CD2 3.78Å; F284-L372 HydrophobicContact CD1-CG 4.47Å; F284-L372 HydrophobicContact CE1-CB 4.3Å; F284-L372 HydrophobicContact CE1-CD2 3.4Å; F284-L372 VanDerWaalsContact CE1-CD2 3.4Å; F284-L372 HydrophobicContact CE1-CG 3.61Å; F284-L372 HydrophobicContact CZ-CD2 4.17Å; F284-L372 HydrophobicContact CZ-CG 4.07Å; P291-L372 HydrophobicContact CB-CD2 4.47Å; P291-L372 HydrophobicContact CG-CD2 3.96Å; H298-L372 HydrophobicContact CB-CD1 4.06Å; H298-L372 HydrophobicContact CB-CD2 3.79Å; M300-L372 HydrophobicContact CE-CB 4.07Å; M300-L372 HydrophobicContact CE-CD1 4.5Å; M300-L372 HydrophobicContact CG-CD1 4.42Å; M300-L372 HydrophobicContact SD-CD1 4.41Å; Y368-L372 HydrophobicContact CD2-CD1 4.22Å; Y368-L372 HydrophobicContact CD2-CG 4.34Å; Y368-L372 HydrophobicContact CE1-CD1 4.04Å; Y368-L372 HydrophobicContact CE2-CD1 3.58Å; Y368-L372 HydrophobicContact CE2-CD2 4.41Å; Y368-L372 HydrophobicContact CE2-CG 3.94Å; Y368-L372 PolarHBondContact O-N 3.07Å; Y369-L372 HydrophobicContact CD1-CD1 4.37Å; Q370-L372 PolarHBondContact O-N 3.45Å; L372-L377 HydrophobicContact CD2-CD2 4.31Å |
| 373 | K | 93.6 | Very high | 95.5 | Very high | 140 Ų | 140 | 43.7 Ų | 43.7 | 61% | 0.609 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -84.1 | -17.7 | 178.4 | -63.8 | 170.3 | -171.3 | 170 | 0 | 113.3 | M300 Y369 Q370 S371 | M300-K373 HydrophobicContact CE-CG 4.27Å; Y369-K373 WeakPolarHBondContact O-CG 3.41Å; Q370-K373 PolarHBondContact O-N 3.37Å; S371-K373 PolarHBondContact O-N 3.05Å |
| 374 | S | 92.2 | Very high | 95.6 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 48% | 0.483 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -112 | -32.9 | -169.4 | 63 | 0 | 0 | 0 | 0 | 113.6 | S371 | S371-S374 PolarHBondContact O-N 3.4Å; S371-S374 PolarHBondContact O-OG 2.87Å |
| 375 | V | 95.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 11% | 0.109 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -90.8 | 155.4 | -178.8 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | F284 A335 L337 F347 S371 | F284-V375 HydrophobicContact CD1-CG2 3.42Å; F284-V375 VanDerWaalsContact CD1-CG2 3.42Å; F284-V375 HydrophobicContact CE1-CG2 3.81Å; F284-V375 HydrophobicContact CG-CG2 4.37Å; A335-V375 HydrophobicContact CB-CB 4.02Å; A335-V375 HydrophobicContact CB-CG2 3.94Å; L337-V375 HydrophobicContact CD2-CB 4.43Å; L337-V375 HydrophobicContact CD2-CG1 3.69Å; F347-V375 HydrophobicContact CE2-CG1 4.05Å; F347-V375 HydrophobicContact CZ-CG1 4.33Å; S371-V375 WeakPolarHBondContact O-CG2 3.18Å; S371-V375 PolarHBondContact O-N 2.96Å |
| 376 | Q | 96.4 | Very high | 95.7 | Very high | 119 Ų | 119 | 45 Ų | 45 | 56% | 0.556 | 23% | 0.23 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.4 | 171 | 174.2 | -178.4 | 27.4 | 0 | 0 | 109.4 | A335 K336 Y378 | A335-Q376 CarbonylContact C-O 3.46Å; A335-Q376 WeakPolarHBondContact CA-O 3.33Å; K336-Q376 HydrophobicContact CB-CB 4.15Å; K336-Q376 PolarHBondContact N-O 3.19Å; K336-Q376 PolarHBondContact O-N 3.36Å; Q376-Y378 PolarHBondContact O-N 3.42Å |
| 377 | L | 96.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 39.1 Ų | 39.1 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 134.7 | 177.2 | -52.4 | -174.2 | 0 | 0 | 0 | 111.3 | F284 N288 G289 P291 L372 | F284-L377 HydrophobicContact CB-CD2 3.77Å; F284-L377 HydrophobicContact CD1-CD2 3.66Å; F284-L377 HydrophobicContact CG-CD2 4.12Å; F284-L377 WeakPolarHBondContact O-CA 3.22Å; F284-L377 VanDerWaalsContact O-CB 3.32Å; F284-L377 WeakPolarHBondContact O-CB 3.13Å; F284-L377 VanDerWaalsContact O-CD2 3.24Å; F284-L377 WeakPolarHBondContact O-CD2 3.27Å; N288-L377 HydrophobicContact CB-CD1 4.33Å; G289-L377 WeakPolarHBondContact O-CD1 3.31Å; P291-L377 HydrophobicContact CG-CD1 3.86Å; P291-L377 HydrophobicContact CG-CG 4.35Å; L372-L377 HydrophobicContact CD2-CD2 4.31Å |
| 378 | Y | 95.3 | Very high | 95.8 | Very high | 106 Ų | 106 | 41.7 Ų | 41.7 | 42% | 0.416 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -149.5 | -139.9 | -172.9 | -163.5 | -112.5 | 0 | 0 | 0 | 112.8 | F284 T285 A286 G334 K336 V343 Q376 | F284-Y378 PolarHBondContact O-N 2.76Å; T285-Y378 CarbonylContact C-O 3.59Å; T285-Y378 WeakPolarHBondContact CA-O 3.49Å; T285-Y378 VanDerWaalsContact CB-O 3.26Å; T285-Y378 WeakPolarHBondContact CB-O 3.4Å; A286-Y378 PolarHBondContact N-O 3Å; G334-Y378 CarbonylContact O-C 3.45Å; G334-Y378 VanDerWaalsContact O-CA 3.28Å; G334-Y378 WeakPolarHBondContact O-CA 3.38Å; G334-Y378 PolarHBondContact O-N 2.93Å; K336-Y378 HydrophobicContact CD-CD1 4.45Å; K336-Y378 HydrophobicContact CD-CD2 4.13Å; K336-Y378 HydrophobicContact CD-CG 4.07Å; K336-Y378 HydrophobicContact CG-CD1 4.09Å; K336-Y378 HydrophobicContact CG-CD2 4.45Å; K336-Y378 HydrophobicContact CG-CG 3.89Å; V343-Y378 HydrophobicContact CB-CD1 4.31Å; V343-Y378 HydrophobicContact CG1-CD1 3.89Å; V343-Y378 HydrophobicContact CG1-CE1 4.34Å; V343-Y378 HydrophobicContact CG2-CD1 3.46Å; V343-Y378 VanDerWaalsContact CG2-CD1 3.46Å; V343-Y378 HydrophobicContact CG2-CE1 3.48Å; V343-Y378 VanDerWaalsContact CG2-CE1 3.48Å; Q376-Y378 PolarHBondContact O-N 3.42Å |
| 379 | G | 92.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | trans | -178.6 | -177.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | G334 | G334-G379 PolarHBondContact O-N 3.28Š| ||
| 380 | P | 94.3 | Very high | 95.9 | Very high | 62 Ų | 62 | 40 Ų | 40 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | cis | -73.2 | 174.6 | -1.4 | 29.6 | -37.3 | 0 | 0 | 0 | 115.2 | H345 N382 S415 | H345-P380 PolarHBondContact CE1-O 3.32Å; H345-P380 PolarHBondContact ND1-O 3.06Å; P380-N382 PolarHBondContact O-N 2.87Å; P380-S415 WeakPolarHBondContact CB-OG 3.37Å | ||
| 381 | T | 93.9 | Very high | 96 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | trans | -84.3 | 102.9 | 175 | -42.6 | 0 | 0 | 0 | 0 | 110.3 | D283 T285 F333 F383 V413 S415 | D283-T381 WeakPolarHBondContact OD2-CG2 2.81Å; T285-T381 HydrophobicContact CG2-CG2 4.36Å; T285-T381 WeakPolarHBondContact CG2-OG1 3.48Å; F333-T381 HydrophobicContact CE2-CG2 3.96Å; T381-F383 HydrophobicContact CG2-CE1 3.79Å; T381-F383 HydrophobicContact CG2-CZ 4.43Å; T381-V413 WeakPolarHBondContact CB-O 3.3Å; T381-V413 WeakPolarHBondContact CG2-O 3.3Å; T381-V413 PolarHBondContact OG1-O 3.36Å; T381-S415 PolarHBondContact N-OG 2.94Å; T381-S415 WeakPolarHBondContact O-CB 3.34Å; T381-S415 PolarHBondContact O-N 3.49Å | ||
| 382 | N | 95.8 | Very high | 96.1 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | trans | -123.4 | 120.4 | -174 | -68.7 | -12.4 | 0 | 0 | 0 | 111.2 | H345 P380 P385 D416 | H345-N382 HydrophobicContact CB-CB 4.33Å; H345-N382 PolarHBondContact CE1-ND2 3.3Å; H345-N382 PolarHBondContact ND1-ND2 3.14Å; H345-N382 PolarHBondContact NE2-ND2 3.18Å; P380-N382 PolarHBondContact O-N 2.87Å; N382-P385 HydrophobicContact CB-CG 4.44Å; N382-D416 VanDerWaalsContact CA-CG 3.45Å; N382-D416 WeakPolarHBondContact CA-OD1 3.07Å; N382-D416 WeakPolarHBondContact CA-OD2 3.03Å; N382-D416 HydrophobicContact CB-CB 4.25Å; N382-D416 WeakPolarHBondContact CB-OD2 3.17Å | ||
| 383 | F | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -94.3 | -25.4 | 179.5 | -61.9 | -10.9 | 0 | 0 | 0 | 113.1 | F333 T381 P385 V386 I387 I408 T410 I414 D416 T420 I436 M447 | F333-F383 AromaticContact CE2-CD1 3.82Å; F333-F383 HydrophobicContact CE2-CD1 3.82Å; F333-F383 AromaticContact CE2-CE1 3.66Å; F333-F383 HydrophobicContact CE2-CE1 3.66Å; F333-F383 AromaticContact CZ-CD1 3.85Å; F333-F383 HydrophobicContact CZ-CD1 3.85Å; F333-F383 AromaticContact CZ-CE1 3.62Å; F333-F383 HydrophobicContact CZ-CE1 3.62Å; T381-F383 HydrophobicContact CG2-CE1 3.79Å; T381-F383 HydrophobicContact CG2-CZ 4.43Å; F383-P385 VanDerWaalsContact C-CD 3.4Å; F383-P385 VanDerWaalsContact C-N 3.3Å; F383-V386 WeakPolarHBondContact O-CG2 3.41Å; F383-V386 PolarHBondContact O-N 3.25Å; F383-I387 HydrophobicContact CB-CD1 3.97Å; F383-I387 WeakPolarHBondContact O-CG1 3.23Å; F383-I387 PolarHBondContact O-N 3.28Å; F383-I408 HydrophobicContact CB-CD1 4.22Å; F383-I408 HydrophobicContact CD1-CG2 4.08Å; F383-I408 HydrophobicContact CD2-CD1 4.31Å; F383-I408 HydrophobicContact CE1-CG2 3.94Å; F383-I408 HydrophobicContact CE2-CG2 4.38Å; F383-I408 HydrophobicContact CG-CD1 4.18Å; F383-I408 HydrophobicContact CG-CG2 4.42Å; F383-I408 HydrophobicContact CZ-CG2 4.13Å; F383-T410 HydrophobicContact CE1-CG2 4.47Å; F383-T410 HydrophobicContact CZ-CG2 3.71Å; F383-I414 HydrophobicContact CB-CD1 4.26Å; F383-I414 HydrophobicContact CD2-CD1 3.53Å; F383-I414 HydrophobicContact CD2-CG1 4.2Å; F383-I414 HydrophobicContact CE2-CB 4.44Å; F383-I414 HydrophobicContact CE2-CD1 3.95Å; F383-I414 HydrophobicContact CE2-CG1 4.34Å; F383-I414 HydrophobicContact CG-CD1 3.98Å; F383-I414 HydrophobicContact CG-CG1 4.39Å; F383-D416 PolarHBondContact N-OD1 3.21Å; F383-D416 PolarHBondContact N-OD2 3.13Å; F383-T420 HydrophobicContact CB-CG2 4.14Å; F383-T420 HydrophobicContact CD2-CG2 4.47Å; F383-I436 HydrophobicContact CD2-CD1 4.42Å; F383-I436 HydrophobicContact CE2-CD1 4.36Å; F383-I436 HydrophobicContact CE2-CG2 4.39Å; F383-M447 HydrophobicContact CE2-CE 4.24Å; F383-M447 HydrophobicContact CZ-CE 4.09Å | ||
| 384 | S | 97.6 | Very high | 96.2 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 10% | 0.098 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -52.6 | -41.2 | -176.8 | -177.3 | 0 | 0 | 0 | 0 | 113.3 | I387 N388 D416 T420 S423 | S384-I387 PolarHBondContact O-N 3.06Å; S384-N388 VanDerWaalsContact O-CB 3.3Å; S384-N388 WeakPolarHBondContact O-CB 3.09Å; S384-N388 PolarHBondContact O-N 3.36Å; S384-N388 PolarHBondContact O-ND2 3.44Å; S384-N388 PolarHBondContact OG-ND2 3.17Å; S384-N388 VanDerWaalsContact OG-ND2 3.13Å; S384-D416 WeakPolarHBondContact CB-OD2 3.24Å; S384-D416 PolarHBondContact N-OD2 3Å; S384-T420 PolarHBondContact N-OG1 3.48Å; S384-S423 PolarHBondContact OG-OG 3.48Å |
| 385 | P | 97.8 | Very high | 96.5 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 26% | 0.26 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.1 | -51.3 | 178 | -26.8 | 38.3 | 0 | 0 | 0 | 113.6 | H345 E346 N382 F383 I387 N388 H389 | H345-P385 HydrophobicContact CB-CB 4.3Å; H345-P385 HydrophobicContact CB-CG 3.81Å; E346-P385 HydrophobicContact CB-CB 4.45Å; N382-P385 HydrophobicContact CB-CG 4.44Å; F383-P385 VanDerWaalsContact C-CD 3.4Å; F383-P385 VanDerWaalsContact C-N 3.3Å; P385-I387 PolarHBondContact O-N 3.26Å; P385-N388 PolarHBondContact O-N 2.82Å; P385-H389 PolarHBondContact O-N 3.04Å |
| 386 | V | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.9 | -34.5 | -178.2 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | A281 L331 F333 E346 F383 H389 V390 I408 | A281-V386 HydrophobicContact CB-CB 4.09Å; A281-V386 HydrophobicContact CB-CG1 4.09Å; A281-V386 HydrophobicContact CB-CG2 4.12Å; L331-V386 HydrophobicContact CD1-CG1 4.49Å; F333-V386 HydrophobicContact CB-CG1 4.38Å; F333-V386 HydrophobicContact CD1-CG1 4.27Å; E346-V386 HydrophobicContact CB-CG1 4.46Å; E346-V386 HydrophobicContact CG-CG1 4.37Å; F383-V386 WeakPolarHBondContact O-CG2 3.41Å; F383-V386 PolarHBondContact O-N 3.25Å; V386-H389 WeakPolarHBondContact O-CB 3.26Å; V386-H389 PolarHBondContact O-N 2.57Å; V386-V390 PolarHBondContact O-N 3.43Å; V386-I408 HydrophobicContact CG2-CD1 4.14Å |
| 387 | I | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | 173.3 | -64.6 | 169 | 0 | 0 | 0 | 110.1 | F383 S384 P385 H389 V390 A391 L406 I408 T420 I424 I434 | F383-I387 HydrophobicContact CB-CD1 3.97Å; F383-I387 WeakPolarHBondContact O-CG1 3.23Å; F383-I387 PolarHBondContact O-N 3.28Å; S384-I387 PolarHBondContact O-N 3.06Å; P385-I387 PolarHBondContact O-N 3.26Å; I387-H389 PolarHBondContact O-N 3.23Å; I387-V390 PolarHBondContact O-N 3.33Å; I387-A391 VanDerWaalsContact O-CB 3.3Å; I387-A391 WeakPolarHBondContact O-CB 3.24Å; I387-A391 PolarHBondContact O-N 3.11Å; I387-L406 HydrophobicContact CB-CD2 4.49Å; I387-L406 HydrophobicContact CG1-CD2 4.01Å; I387-I408 HydrophobicContact CD1-CD1 4.43Å; I387-I408 HydrophobicContact CG1-CD1 4.1Å; I387-T420 HydrophobicContact CD1-CG2 3.87Å; I387-I424 HydrophobicContact CD1-CG1 4.19Å; I387-I434 HydrophobicContact CD1-CD1 4.19Å; I387-I434 HydrophobicContact CG1-CD1 4.09Å; I387-I434 HydrophobicContact CG2-CD1 3.85Å |
| 388 | N | 98.4 | Very high | 96.2 | Very high | 62 Ų | 62 | 44.7 Ų | 44.7 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.6 | -29 | 178.5 | -70.2 | -32.5 | 0 | 0 | 0 | 112.2 | S384 P385 R392 S423 | S384-N388 VanDerWaalsContact O-CB 3.3Å; S384-N388 WeakPolarHBondContact O-CB 3.09Å; S384-N388 PolarHBondContact O-N 3.36Å; S384-N388 PolarHBondContact O-ND2 3.44Å; S384-N388 PolarHBondContact OG-ND2 3.17Å; S384-N388 VanDerWaalsContact OG-ND2 3.13Å; P385-N388 PolarHBondContact O-N 2.82Å; N388-R392 WeakPolarHBondContact O-CG 3.33Å; N388-R392 PolarHBondContact O-N 3.28Å; N388-R392 PolarHBondContact O-NE 3.24Å; N388-S423 VanDerWaalsContact CG-OG 3.22Å; N388-S423 PolarHBondContact ND2-OG 3.43Å; N388-S423 VanDerWaalsContact ND2-OG 3.11Å; N388-S423 WeakPolarHBondContact OD1-CB 3.4Å; N388-S423 PolarHBondContact OD1-OG 3.19Å |
| 389 | H | 96.6 | Very high | 96.1 | Very high | 18 Ų | 18 | 44.9 Ų | 44.9 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -58.9 | 172.7 | -172.7 | 114.4 | 0 | 0 | 0 | 110.9 | E346 P385 V386 I387 A391 R392 Y393 | E346-H389 IonicContact OE1-CE1 2.98Å; E346-H389 PolarHBondContact OE1-CE1 3.3Å; E346-H389 IonicContact OE1-CG 3.19Å; E346-H389 IonicContact OE1-ND1 3.48Å; E346-H389 PolarHBondContact OE1-ND1 2.9Å; E346-H389 WeakPolarHBondContact OE2-CB 3.43Å; E346-H389 IonicContact OE2-CG 3.86Å; E346-H389 IonicContact OE2-ND1 2.74Å; E346-H389 PolarHBondContact OE2-ND1 2.97Å; P385-H389 PolarHBondContact O-N 3.04Å; V386-H389 WeakPolarHBondContact O-CB 3.26Å; V386-H389 PolarHBondContact O-N 2.57Å; I387-H389 PolarHBondContact O-N 3.23Å; H389-A391 VanDerWaalsContact C-N 3.32Å; H389-A391 PolarHBondContact O-N 2.8Å; H389-R392 PolarHBondContact ND1-NH2 2.79Å; H389-R392 WeakPolarHBondContact O-CB 3.49Å; H389-R392 PolarHBondContact O-N 2.68Å; H389-Y393 AromaticContact CD2-CD2 3.98Å; H389-Y393 AromaticContact CD2-CE2 3.52Å; H389-Y393 AromaticContact NE2-CE2 3.37Å; H389-Y393 WeakPolarHBondContact NE2-CE2 3.46Å; H389-Y393 VanDerWaalsContact O-CD2 3.23Å; H389-Y393 WeakPolarHBondContact O-CD2 3.32Å |
| 390 | V | 97.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -39.1 | -178.3 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | T279 V386 I387 R392 Y393 A394 F404 L406 M432 | T279-V390 HydrophobicContact CG2-CG2 3.82Å; V386-V390 PolarHBondContact O-N 3.43Å; I387-V390 PolarHBondContact O-N 3.33Å; V390-R392 PolarHBondContact O-N 3.41Å; V390-Y393 PolarHBondContact O-N 3.34Å; V390-A394 PolarHBondContact O-N 2.82Å; V390-F404 HydrophobicContact CG1-CB 3.76Å; V390-F404 HydrophobicContact CG1-CD1 4.39Å; V390-F404 HydrophobicContact CG1-CG 4.35Å; V390-L406 HydrophobicContact CB-CD2 4.48Å; V390-L406 HydrophobicContact CG1-CB 4.49Å; V390-L406 HydrophobicContact CG2-CB 4.17Å; V390-L406 HydrophobicContact CG2-CD1 3.99Å; V390-L406 HydrophobicContact CG2-CD2 4.1Å; V390-L406 HydrophobicContact CG2-CG 4.3Å; V390-M432 HydrophobicContact CB-CE 4.03Å; V390-M432 HydrophobicContact CG1-CE 3.86Å; V390-M432 HydrophobicContact CG1-SD 4.46Å |
| 391 | A | 98.3 | Very high | 96 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 11% | 0.107 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.7 | -34.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | I387 H389 Y393 A394 A395 A427 L430 M432 | I387-A391 VanDerWaalsContact O-CB 3.3Å; I387-A391 WeakPolarHBondContact O-CB 3.24Å; I387-A391 PolarHBondContact O-N 3.11Å; H389-A391 VanDerWaalsContact C-N 3.32Å; H389-A391 PolarHBondContact O-N 2.8Å; A391-Y393 PolarHBondContact O-N 3.28Å; A391-A394 PolarHBondContact O-N 3.34Å; A391-A395 VanDerWaalsContact O-CB 3.28Å; A391-A395 WeakPolarHBondContact O-CB 3.29Å; A391-A395 PolarHBondContact O-N 3.18Å; A391-A427 HydrophobicContact CB-CB 4.37Å; A391-L430 HydrophobicContact CB-CD1 3.81Å; A391-L430 WeakPolarHBondContact O-CD1 3.45Å; A391-M432 VanDerWaalsContact CA-SD 3.58Å; A391-M432 HydrophobicContact CB-SD 3.83Å |
| 392 | R | 97 | Very high | 96 | Very high | 149 Ų | 149 | 46 Ų | 46 | 56% | 0.562 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.9 | -40.3 | 175.9 | -76.6 | 179 | -66.2 | 134.4 | -6.8 | 112.4 | N388 H389 V390 | N388-R392 WeakPolarHBondContact O-CG 3.33Å; N388-R392 PolarHBondContact O-N 3.28Å; N388-R392 PolarHBondContact O-NE 3.24Å; H389-R392 PolarHBondContact ND1-NH2 2.79Å; H389-R392 WeakPolarHBondContact O-CB 3.49Å; H389-R392 PolarHBondContact O-N 2.68Å; V390-R392 PolarHBondContact O-N 3.41Å |
| 393 | Y | 95 | Very high | 96 | Very high | 103 Ų | 103 | 44.9 Ų | 44.9 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -71.7 | -45.9 | 175.9 | -65.5 | -87.2 | 0 | 0 | 0 | 110.7 | H389 V390 A391 A395 S396 | H389-Y393 AromaticContact CD2-CD2 3.98Å; H389-Y393 AromaticContact CD2-CE2 3.52Å; H389-Y393 AromaticContact NE2-CE2 3.37Å; H389-Y393 WeakPolarHBondContact NE2-CE2 3.46Å; H389-Y393 VanDerWaalsContact O-CD2 3.23Å; H389-Y393 WeakPolarHBondContact O-CD2 3.32Å; V390-Y393 PolarHBondContact O-N 3.34Å; A391-Y393 PolarHBondContact O-N 3.28Å; Y393-A395 VanDerWaalsContact C-N 3.27Å; Y393-A395 PolarHBondContact O-N 3.19Å; Y393-S396 WeakPolarHBondContact O-CB 3.38Å; Y393-S396 PolarHBondContact O-N 2.91Å; Y393-S396 PolarHBondContact O-OG 3.21Å |
| 394 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V390 A391 S396 V397 F404 L430 P431 M432 | V390-A394 PolarHBondContact O-N 2.82Å; A391-A394 PolarHBondContact O-N 3.34Å; A394-S396 PolarHBondContact O-N 2.79Å; A394-V397 PolarHBondContact O-N 2.85Å; A394-V397 VanDerWaalsContact O-N 3.09Å; A394-F404 HydrophobicContact CB-CB 4.49Å; A394-F404 HydrophobicContact CB-CD2 3.65Å; A394-F404 HydrophobicContact CB-CE2 4.16Å; A394-F404 HydrophobicContact CB-CG 4.16Å; A394-L430 HydrophobicContact CB-CB 4.1Å; A394-L430 HydrophobicContact CB-CD1 4.36Å; A394-P431 HydrophobicContact CB-CG 4.14Å; A394-P431 WeakPolarHBondContact O-CD 3.15Å; A394-P431 WeakPolarHBondContact O-CG 3.44Å; A394-M432 HydrophobicContact CB-CB 4.11Å; A394-M432 HydrophobicContact CB-CG 4.37Å; A394-M432 HydrophobicContact CB-SD 4.15Å |
| 395 | A | 97.2 | Very high | 96 | Very high | 46 Ų | 46 | 45 Ų | 45 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -20.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A391 Y393 V397 L430 | A391-A395 VanDerWaalsContact O-CB 3.28Å; A391-A395 WeakPolarHBondContact O-CB 3.29Å; A391-A395 PolarHBondContact O-N 3.18Å; Y393-A395 VanDerWaalsContact C-N 3.27Å; Y393-A395 PolarHBondContact O-N 3.19Å; A395-V397 VanDerWaalsContact C-N 3.3Å; A395-L430 HydrophobicContact CB-CD1 4.19Å; A395-L430 HydrophobicContact CB-CD2 4Å |
| 396 | S | 95.3 | Very high | 96 | Very high | 96 Ų | 96 | 43 Ų | 43 | 67% | 0.671 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -13.7 | 176.4 | 74.2 | 0 | 0 | 0 | 0 | 113.2 | Y393 A394 | Y393-S396 WeakPolarHBondContact O-CB 3.38Å; Y393-S396 PolarHBondContact O-N 2.91Å; Y393-S396 PolarHBondContact O-OG 3.21Å; A394-S396 PolarHBondContact O-N 2.79Å |
| 397 | V | 94.3 | Very high | 96 | Very high | 10 Ų | 10 | 43 Ų | 43 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | trans | -108.9 | 123.6 | -176.6 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | A394 A395 Q402 F404 P431 | A394-V397 PolarHBondContact O-N 2.85Å; A394-V397 VanDerWaalsContact O-N 3.09Å; A395-V397 VanDerWaalsContact C-N 3.3Å; V397-Q402 HydrophobicContact CG1-CB 3.98Å; V397-Q402 HydrophobicContact CG2-CB 4.12Å; V397-F404 HydrophobicContact CB-CE2 4.36Å; V397-F404 HydrophobicContact CG2-CE2 3.87Å; V397-F404 HydrophobicContact CG2-CZ 4.13Å; V397-P431 HydrophobicContact CB-CG 4.26Å | ||
| 398 | K | 92.3 | Very high | 95.9 | Very high | 168 Ų | 168 | 43 Ų | 43 | 73% | 0.73 | 22% | 0.22 | S | C | * | . | trans | -130.8 | -11.7 | -176.6 | -62.3 | -174.4 | -179.2 | -179.5 | 0 | 114.4 | ||||
| 399 | D | 93.1 | Very high | 95.9 | Very high | 110 Ų | 110 | 40 Ų | 40 | 59% | 0.588 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -93.4 | -6.5 | -175.2 | 60.7 | -0 | 0 | 0 | 0 | 113.3 | S401 I512 | D399-S401 VanDerWaalsContact C-N 3.33Å; D399-S401 VanDerWaalsContact OD1-CB 3.27Å; D399-S401 WeakPolarHBondContact OD1-CB 3.35Å; D399-S401 PolarHBondContact OD1-N 2.9Å; D399-S401 PolarHBondContact OD1-OG 2.8Å; D399-S401 PolarHBondContact OD2-OG 2.82Å; D399-I512 WeakPolarHBondContact O-CG2 3.43Å |
| 400 | G | 92.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 78.9 | 14.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T274 Q402 | T274-G400 WeakPolarHBondContact CG2-O 3.24Å; T274-G400 PolarHBondContact OG1-O 2.65Å; G400-Q402 PolarHBondContact O-N 3.14Å |
| 401 | S | 92.4 | Very high | 95.6 | Very high | 44 Ų | 44 | 39.6 Ų | 39.6 | 31% | 0.308 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -66.3 | -26.7 | 173.1 | 57.9 | 0 | 0 | 0 | 0 | 113 | T274 Q275 D399 | T274-S401 WeakPolarHBondContact CA-O 3.27Å; Q275-S401 PolarHBondContact N-O 2.85Å; D399-S401 VanDerWaalsContact C-N 3.33Å; D399-S401 VanDerWaalsContact OD1-CB 3.27Å; D399-S401 WeakPolarHBondContact OD1-CB 3.35Å; D399-S401 PolarHBondContact OD1-N 2.9Å; D399-S401 PolarHBondContact OD1-OG 2.8Å; D399-S401 PolarHBondContact OD2-OG 2.82Å |
| 402 | Q | 94.4 | Very high | 94.4 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.8 | -178.2 | -66.1 | 177.1 | 54.2 | 0 | 0 | 110.8 | Q275 N277 V397 G400 F404 | Q275-Q402 HydrophobicContact CB-CG 4.47Å; Q275-Q402 CarbonylContact O-C 3.46Å; Q275-Q402 WeakPolarHBondContact O-CA 3.25Å; N277-Q402 WeakPolarHBondContact ND2-CB 3.39Å; N277-Q402 PolarHBondContact ND2-OE1 3.05Å; V397-Q402 HydrophobicContact CG1-CB 3.98Å; V397-Q402 HydrophobicContact CG2-CB 4.12Å; G400-Q402 PolarHBondContact O-N 3.14Å; Q402-F404 HydrophobicContact CB-CE2 4.05Å; Q402-F404 HydrophobicContact CB-CZ 4.28Å |
| 403 | Y | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139.9 | 172.1 | -167.2 | -88.7 | 0 | 0 | 0 | 109 | Q275 I276 N277 V405 P431 M432 S433 F503 Y506 | Q275-Y403 PolarHBondContact O-N 3.47Å; I276-Y403 CarbonylContact C-O 3.58Å; I276-Y403 WeakPolarHBondContact CA-O 3.15Å; I276-Y403 HydrophobicContact CD1-CD1 4.49Å; N277-Y403 PolarHBondContact N-O 3.44Å; Y403-V405 HydrophobicContact CD1-CG2 4.22Å; Y403-V405 HydrophobicContact CE1-CG2 4.34Å; Y403-P431 HydrophobicContact CD2-CB 3.85Å; Y403-P431 HydrophobicContact CE2-CB 4.38Å; Y403-M432 PolarHBondContact OH-O 2.85Å; Y403-S433 WeakPolarHBondContact CE1-OG 3.08Å; Y403-S433 PolarHBondContact OH-OG 2.88Å; Y403-F503 AromaticContact CD1-CD2 3.96Å; Y403-F503 HydrophobicContact CD1-CD2 3.96Å; Y403-F503 AromaticContact CD2-CD2 3.55Å; Y403-F503 HydrophobicContact CD2-CD2 3.55Å; Y403-F503 HydrophobicContact CD2-CE2 4.12Å; Y403-F503 HydrophobicContact CD2-CG 4.36Å; Y403-F503 HydrophobicContact CE1-CB 4.45Å; Y403-F503 HydrophobicContact CE1-CD2 4.46Å; Y403-F503 HydrophobicContact CE2-CB 4.29Å; Y403-F503 HydrophobicContact CE2-CD2 4.09Å; Y403-F503 AromaticContact CG-CD2 3.47Å; Y403-F503 HydrophobicContact CG-CD2 3.47Å; Y403-F503 VanDerWaalsContact CG-CD2 3.47Å; Y403-F503 AromaticContact CG-CE2 4Å; Y403-F503 HydrophobicContact CG-CE2 4Å; Y403-Y506 HydrophobicContact CD2-CD1 4.27Å; Y403-Y506 HydrophobicContact CE2-CD1 4.25Å; Y403-Y506 HydrophobicContact CE2-CG 4.3Å |
| 404 | F | 97.1 | Very high | 93.2 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.1 | -170.4 | -62.7 | -98.2 | 0 | 0 | 0 | 111 | N277 V390 A394 V397 Q402 P431 M432 S433 | N277-F404 HydrophobicContact CB-CD1 3.63Å; N277-F404 HydrophobicContact CB-CE1 3.88Å; N277-F404 HydrophobicContact CB-CG 4.29Å; N277-F404 WeakPolarHBondContact ND2-CE1 3Å; N277-F404 CarbonylContact O-C 3.55Å; N277-F404 WeakPolarHBondContact O-CA 3.46Å; V390-F404 HydrophobicContact CG1-CB 3.76Å; V390-F404 HydrophobicContact CG1-CD1 4.39Å; V390-F404 HydrophobicContact CG1-CG 4.35Å; A394-F404 HydrophobicContact CB-CB 4.49Å; A394-F404 HydrophobicContact CB-CD2 3.65Å; A394-F404 HydrophobicContact CB-CE2 4.16Å; A394-F404 HydrophobicContact CB-CG 4.16Å; V397-F404 HydrophobicContact CB-CE2 4.36Å; V397-F404 HydrophobicContact CG2-CE2 3.87Å; V397-F404 HydrophobicContact CG2-CZ 4.13Å; Q402-F404 HydrophobicContact CB-CE2 4.05Å; Q402-F404 HydrophobicContact CB-CZ 4.28Å; F404-P431 PolarHBondContact N-O 2.96Å; F404-M432 HydrophobicContact CB-CB 3.93Å; F404-M432 CarbonylContact O-C 2.99Å; F404-M432 WeakPolarHBondContact O-CA 3.4Å; F404-M432 WeakPolarHBondContact O-CB 3.37Å; F404-S433 PolarHBondContact O-N 2.79Å |
| 405 | V | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 117.2 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | I276 N277 F278 T279 I319 Y403 S433 I435 I499 | I276-V405 HydrophobicContact CG2-CG2 3.77Å; N277-V405 PolarHBondContact O-N 3.49Å; F278-V405 HydrophobicContact CD2-CB 4.25Å; F278-V405 HydrophobicContact CD2-CG1 4.17Å; F278-V405 HydrophobicContact CE2-CG1 4.4Å; T279-V405 PolarHBondContact N-O 2.77Å; I319-V405 HydrophobicContact CD1-CB 3.77Å; I319-V405 HydrophobicContact CD1-CG1 3.67Å; I319-V405 HydrophobicContact CD1-CG2 3.97Å; Y403-V405 HydrophobicContact CD1-CG2 4.22Å; Y403-V405 HydrophobicContact CE1-CG2 4.34Å; V405-S433 WeakPolarHBondContact CA-O 3.41Å; V405-I435 HydrophobicContact CG1-CD1 3.62Å; V405-I435 HydrophobicContact CG1-CG1 4.27Å; V405-I499 HydrophobicContact CG1-CD1 4.26Å; V405-I499 HydrophobicContact CG2-CD1 4.48Å; V405-I499 HydrophobicContact CG2-CG2 4.23Å |
| 406 | L | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 114.8 | 176.1 | 171.5 | 58.4 | 0 | 0 | 0 | 109.6 | T279 A281 I387 V390 I408 S433 I434 I435 | T279-L406 HydrophobicContact CG2-CD1 3.89Å; T279-L406 CarbonylContact O-C 3.55Å; T279-L406 WeakPolarHBondContact O-CA 3.45Å; A281-L406 HydrophobicContact CB-CD1 3.95Å; I387-L406 HydrophobicContact CB-CD2 4.49Å; I387-L406 HydrophobicContact CG1-CD2 4.01Å; V390-L406 HydrophobicContact CB-CD2 4.48Å; V390-L406 HydrophobicContact CG1-CB 4.49Å; V390-L406 HydrophobicContact CG2-CB 4.17Å; V390-L406 HydrophobicContact CG2-CD1 3.99Å; V390-L406 HydrophobicContact CG2-CD2 4.1Å; V390-L406 HydrophobicContact CG2-CG 4.3Å; L406-I408 HydrophobicContact CD1-CG1 4.32Å; L406-I408 HydrophobicContact CD2-CD1 4.1Å; L406-I408 HydrophobicContact CD2-CG1 4.15Å; L406-I408 HydrophobicContact CG-CD1 4.41Å; L406-I408 HydrophobicContact CG-CG1 3.93Å; L406-S433 PolarHBondContact N-O 2.93Å; L406-I434 CarbonylContact O-C 3.44Å; L406-I434 WeakPolarHBondContact O-CA 3.33Å; L406-I435 PolarHBondContact O-N 2.93Å |
| 407 | L | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.7 | 168.3 | 171.9 | 64.2 | 0 | 0 | 0 | 110.2 | F278 T279 V280 A281 V315 I409 I435 V437 | F278-L407 HydrophobicContact CE2-CB 3.58Å; F278-L407 HydrophobicContact CE2-CD2 4.39Å; F278-L407 HydrophobicContact CZ-CB 3.7Å; F278-L407 HydrophobicContact CZ-CD2 3.71Å; F278-L407 HydrophobicContact CZ-CG 4.35Å; T279-L407 PolarHBondContact O-N 2.69Å; V280-L407 CarbonylContact C-O 3.58Å; A281-L407 PolarHBondContact N-O 2.88Å; V315-L407 HydrophobicContact CB-CD2 4.04Å; V315-L407 HydrophobicContact CG1-CD2 4.18Å; V315-L407 HydrophobicContact CG2-CD1 4.5Å; V315-L407 HydrophobicContact CG2-CD2 4.42Å; L407-I409 HydrophobicContact CD1-CG1 4.15Å; L407-I409 HydrophobicContact CD2-CD1 4.06Å; L407-I409 HydrophobicContact CD2-CG1 4.14Å; L407-I409 HydrophobicContact CG-CD1 4.4Å; L407-I409 HydrophobicContact CG-CG1 3.94Å; L407-I435 CarbonylContact C-O 3.53Å; L407-I435 WeakPolarHBondContact CA-O 3.45Å; L407-I435 HydrophobicContact CD1-CB 4.09Å; L407-I435 HydrophobicContact CD1-CG2 3.51Å; L407-V437 HydrophobicContact CD1-CB 4.48Å; L407-V437 HydrophobicContact CD1-CG2 3.75Å |
| 408 | I | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.4 | 170.4 | -55.5 | -179 | 0 | 0 | 0 | 108.2 | A281 F333 F383 V386 I387 L406 I434 I435 I436 V437 | A281-I408 HydrophobicContact CB-CG1 4.32Å; A281-I408 WeakPolarHBondContact O-CA 3.27Å; F333-I408 HydrophobicContact CE1-CG2 4.01Å; F333-I408 HydrophobicContact CZ-CG2 3.93Å; F383-I408 HydrophobicContact CB-CD1 4.22Å; F383-I408 HydrophobicContact CD1-CG2 4.08Å; F383-I408 HydrophobicContact CD2-CD1 4.31Å; F383-I408 HydrophobicContact CE1-CG2 3.94Å; F383-I408 HydrophobicContact CE2-CG2 4.38Å; F383-I408 HydrophobicContact CG-CD1 4.18Å; F383-I408 HydrophobicContact CG-CG2 4.42Å; F383-I408 HydrophobicContact CZ-CG2 4.13Å; V386-I408 HydrophobicContact CG2-CD1 4.14Å; I387-I408 HydrophobicContact CD1-CD1 4.43Å; I387-I408 HydrophobicContact CG1-CD1 4.1Å; L406-I408 HydrophobicContact CD1-CG1 4.32Å; L406-I408 HydrophobicContact CD2-CD1 4.1Å; L406-I408 HydrophobicContact CD2-CG1 4.15Å; L406-I408 HydrophobicContact CG-CD1 4.41Å; L406-I408 HydrophobicContact CG-CG1 3.93Å; I408-I434 HydrophobicContact CD1-CG2 4.02Å; I408-I434 HydrophobicContact CG1-CG2 4.44Å; I408-I435 PolarHBondContact N-O 2.97Å; I408-I436 HydrophobicContact CB-CG1 4.4Å; I408-I436 CarbonylContact O-C 3.5Å; I408-I436 WeakPolarHBondContact O-CA 3.38Å; I408-V437 PolarHBondContact O-N 3Å |
| 409 | I | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.6 | 172.5 | -45.9 | 175.1 | 0 | 0 | 0 | 108.3 | A281 D283 Y308 A311 L312 L407 V437 V439 | A281-I409 PolarHBondContact O-N 3.44Å; D283-I409 WeakPolarHBondContact CB-O 3.33Å; D283-I409 PolarHBondContact N-O 3.44Å; Y308-I409 HydrophobicContact CD1-CB 3.8Å; Y308-I409 HydrophobicContact CD1-CG2 3.35Å; Y308-I409 HydrophobicContact CE1-CB 4.04Å; Y308-I409 HydrophobicContact CE1-CG2 3.66Å; Y308-I409 WeakPolarHBondContact CE1-O 3.11Å; Y308-I409 HydrophobicContact CG-CG2 4.12Å; A311-I409 HydrophobicContact CB-CD1 4.09Å; A311-I409 HydrophobicContact CB-CG2 4.34Å; L312-I409 HydrophobicContact CB-CD1 3.91Å; L407-I409 HydrophobicContact CD1-CG1 4.15Å; L407-I409 HydrophobicContact CD2-CD1 4.06Å; L407-I409 HydrophobicContact CD2-CG1 4.14Å; L407-I409 HydrophobicContact CG-CD1 4.4Å; L407-I409 HydrophobicContact CG-CG1 3.94Å; I409-V437 WeakPolarHBondContact CA-O 3.49Å; I409-V439 HydrophobicContact CG2-CG1 3.85Å; I409-V439 HydrophobicContact CG2-CG2 4.46Å |
| 410 | T | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 151.4 | -170.5 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | D283 F383 G412 I436 V437 G438 V439 M447 | D283-T410 WeakPolarHBondContact OD2-CB 3.35Å; D283-T410 PolarHBondContact OD2-OG1 2.72Å; F383-T410 HydrophobicContact CE1-CG2 4.47Å; F383-T410 HydrophobicContact CZ-CG2 3.71Å; T410-G412 VanDerWaalsContact C-N 3.35Å; T410-G412 PolarHBondContact OG1-N 3.46Å; T410-I436 HydrophobicContact CG2-CG2 4.16Å; T410-V437 PolarHBondContact N-O 2.84Å; T410-V437 VanDerWaalsContact N-O 3.1Å; T410-G438 CarbonylContact O-C 3.33Å; T410-G438 WeakPolarHBondContact O-CA 3.5Å; T410-V439 WeakPolarHBondContact O-CG2 3.42Å; T410-V439 PolarHBondContact O-N 3.23Å; T410-M447 HydrophobicContact CG2-CE 4.11Å |
| 411 | D | 91.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 6% | 0.059 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -90 | 2.3 | 177.3 | 66.9 | -45.2 | 0 | 0 | 0 | 114.8 | S287 N288 L297 Y308 V439 A442 | S287-D411 WeakPolarHBondContact CB-OD2 3.48Å; S287-D411 VanDerWaalsContact OG-CG 3.31Å; S287-D411 PolarHBondContact OG-OD1 2.8Å; S287-D411 VanDerWaalsContact OG-OD1 3.06Å; S287-D411 PolarHBondContact OG-OD2 2.75Å; N288-D411 VanDerWaalsContact CG-CG 3.46Å; N288-D411 PolarHBondContact N-OD2 2.83Å; N288-D411 PolarHBondContact ND2-OD1 2.67Å; N288-D411 VanDerWaalsContact OD1-CB 3.29Å; N288-D411 WeakPolarHBondContact OD1-CB 3.15Å; N288-D411 VanDerWaalsContact OD1-CG 3.29Å; L297-D411 HydrophobicContact CD1-CB 3.33Å; Y308-D411 PolarHBondContact OH-N 3.13Å; Y308-D411 VanDerWaalsContact OH-N 3.17Å; D411-V439 CarbonylContact C-O 3.54Å; D411-V439 VanDerWaalsContact CA-O 3.22Å; D411-V439 WeakPolarHBondContact CA-O 3.49Å; D411-V439 HydrophobicContact CB-CG2 4.21Å; D411-A442 WeakPolarHBondContact O-CB 3.25Å |
| 412 | G | 74.3 | Confident | 93.9 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 103.1 | 156.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T410 | T410-G412 VanDerWaalsContact C-N 3.35Å; T410-G412 PolarHBondContact OG1-N 3.46Å |
| 413 | V | 76.2 | Confident | 94.1 | Very high | 95 Ų | 95 | 23.7 Ų | 23.7 | 58% | 0.576 | 14% | 0.137 | S | C | * | . | trans | 77.6 | 93.9 | -168.2 | -167 | 0 | 0 | 0 | 0 | 113.8 | T381 | T381-V413 WeakPolarHBondContact CB-O 3.3Å; T381-V413 WeakPolarHBondContact CG2-O 3.3Å; T381-V413 PolarHBondContact OG1-O 3.36Å | ||
| 414 | I | 89.8 | Confident | 94.2 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 9% | 0.087 | 14% | 0.138 | C | C | . | . | trans | -81.4 | 130.4 | 166.2 | -169.6 | 173.3 | 0 | 0 | 0 | 110.5 | F383 D416 M417 T420 A446 M447 L450 | F383-I414 HydrophobicContact CB-CD1 4.26Å; F383-I414 HydrophobicContact CD2-CD1 3.53Å; F383-I414 HydrophobicContact CD2-CG1 4.2Å; F383-I414 HydrophobicContact CE2-CB 4.44Å; F383-I414 HydrophobicContact CE2-CD1 3.95Å; F383-I414 HydrophobicContact CE2-CG1 4.34Å; F383-I414 HydrophobicContact CG-CD1 3.98Å; F383-I414 HydrophobicContact CG-CG1 4.39Å; I414-D416 WeakPolarHBondContact CG1-OD1 3.39Å; I414-M417 HydrophobicContact CG2-CB 4.22Å; I414-M417 HydrophobicContact CG2-CE 3.73Å; I414-M417 HydrophobicContact CG2-SD 4.17Å; I414-T420 HydrophobicContact CD1-CG2 3.58Å; I414-T420 WeakPolarHBondContact CD1-OG1 3.28Å; I414-A446 HydrophobicContact CG2-CB 3.76Å; I414-M447 HydrophobicContact CB-CE 4.28Å; I414-L450 HydrophobicContact CD1-CD1 4.06Å | ||
| 415 | S | 93.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 23.5 Ų | 23.5 | 46% | 0.462 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -95.2 | -24.8 | -178.9 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | P380 T381 | P380-S415 WeakPolarHBondContact CB-OG 3.37Å; T381-S415 PolarHBondContact N-OG 2.94Å; T381-S415 WeakPolarHBondContact O-CB 3.34Å; T381-S415 PolarHBondContact O-N 3.49Å |
| 416 | D | 95.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 6% | 0.059 | 16% | 0.155 | C | C | . | . | trans | -108.2 | 39.5 | -176.9 | 71.3 | -17.9 | 0 | 0 | 0 | 112.9 | N382 F383 S384 I414 A418 Q419 T420 | N382-D416 VanDerWaalsContact CA-CG 3.45Å; N382-D416 WeakPolarHBondContact CA-OD1 3.07Å; N382-D416 WeakPolarHBondContact CA-OD2 3.03Å; N382-D416 HydrophobicContact CB-CB 4.25Å; N382-D416 WeakPolarHBondContact CB-OD2 3.17Å; F383-D416 PolarHBondContact N-OD1 3.21Å; F383-D416 PolarHBondContact N-OD2 3.13Å; S384-D416 WeakPolarHBondContact CB-OD2 3.24Å; S384-D416 PolarHBondContact N-OD2 3Å; I414-D416 WeakPolarHBondContact CG1-OD1 3.39Å; D416-A418 VanDerWaalsContact C-N 3.28Å; D416-A418 PolarHBondContact O-N 3.12Å; D416-A418 VanDerWaalsContact O-N 3.13Å; D416-Q419 HydrophobicContact CB-CB 4.21Å; D416-Q419 PolarHBondContact O-N 3.21Å; D416-Q419 PolarHBondContact O-OE1 3.3Å; D416-T420 WeakPolarHBondContact O-CB 3.26Å; D416-T420 PolarHBondContact O-N 2.93Å; D416-T420 PolarHBondContact O-OG1 3.49Å; D416-T420 PolarHBondContact OD1-OG1 2.89Å; D416-T420 PolarHBondContact OD2-OG1 3.34Å | ||
| 417 | M | 94.7 | Very high | 94.3 | Very high | 37 Ų | 37 | 26.8 Ų | 26.8 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -48.8 | -45.7 | -174 | -179.9 | 56.7 | 100.6 | 0 | 0 | 113.7 | I414 T420 K421 A446 L450 | I414-M417 HydrophobicContact CG2-CB 4.22Å; I414-M417 HydrophobicContact CG2-CE 3.73Å; I414-M417 HydrophobicContact CG2-SD 4.17Å; M417-T420 PolarHBondContact O-N 3.49Å; M417-K421 WeakPolarHBondContact O-CG 3.14Å; M417-K421 PolarHBondContact O-N 3.22Å; M417-K421 HydrophobicContact SD-CD 4.37Å; M417-K421 HydrophobicContact SD-CG 4.21Å; M417-A446 HydrophobicContact CE-CB 3.4Å; M417-A446 VanDerWaalsContact CE-O 3.23Å; M417-A446 WeakPolarHBondContact CE-O 3.32Å; M417-L450 HydrophobicContact CE-CD2 4.48Å; M417-L450 HydrophobicContact CE-CG 4.33Å; M417-L450 HydrophobicContact SD-CD1 4.46Å; M417-L450 HydrophobicContact SD-CD2 3.72Å; M417-L450 HydrophobicContact SD-CG 4.13Å |
| 418 | A | 96.2 | Very high | 94.3 | Very high | 66 Ų | 66 | 26.9 Ų | 26.9 | 55% | 0.545 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.5 | -41.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D416 E422 | D416-A418 VanDerWaalsContact C-N 3.28Å; D416-A418 PolarHBondContact O-N 3.12Å; D416-A418 VanDerWaalsContact O-N 3.13Å; A418-E422 PolarHBondContact O-N 3.06Å |
| 419 | Q | 97.7 | Very high | 94.2 | Very high | 99 Ų | 99 | 28.5 Ų | 28.5 | 46% | 0.463 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.3 | -38.3 | 177.2 | -64.2 | 82 | -11.6 | 0 | 0 | 111 | D416 E422 S423 | D416-Q419 HydrophobicContact CB-CB 4.21Å; D416-Q419 PolarHBondContact O-N 3.21Å; D416-Q419 PolarHBondContact O-OE1 3.3Å; Q419-E422 WeakPolarHBondContact O-CB 3.15Å; Q419-E422 PolarHBondContact O-N 3.32Å; Q419-S423 WeakPolarHBondContact O-CB 3.39Å; Q419-S423 PolarHBondContact O-N 2.88Å; Q419-S423 PolarHBondContact O-OG 3.09Å |
| 420 | T | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 176.4 | -70.6 | 0 | 0 | 0 | 0 | 111.4 | F383 S384 I387 I414 D416 M417 E422 S423 I424 L450 | F383-T420 HydrophobicContact CB-CG2 4.14Å; F383-T420 HydrophobicContact CD2-CG2 4.47Å; S384-T420 PolarHBondContact N-OG1 3.48Å; I387-T420 HydrophobicContact CD1-CG2 3.87Å; I414-T420 HydrophobicContact CD1-CG2 3.58Å; I414-T420 WeakPolarHBondContact CD1-OG1 3.28Å; D416-T420 WeakPolarHBondContact O-CB 3.26Å; D416-T420 PolarHBondContact O-N 2.93Å; D416-T420 PolarHBondContact O-OG1 3.49Å; D416-T420 PolarHBondContact OD1-OG1 2.89Å; D416-T420 PolarHBondContact OD2-OG1 3.34Å; M417-T420 PolarHBondContact O-N 3.49Å; T420-E422 VanDerWaalsContact C-N 3.32Å; T420-E422 PolarHBondContact O-N 3.32Å; T420-S423 WeakPolarHBondContact O-CB 3.26Å; T420-S423 PolarHBondContact O-N 3.27Å; T420-I424 HydrophobicContact CG2-CD1 3.77Å; T420-I424 WeakPolarHBondContact O-CG1 3.29Å; T420-I424 PolarHBondContact O-N 3.48Å; T420-L450 HydrophobicContact CG2-CD1 3.81Å; T420-L450 HydrophobicContact CG2-CD2 4.27Å |
| 421 | K | 97.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 30 Ų | 30 | 15% | 0.148 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 170.7 | -74.2 | -179 | -178 | 166.9 | 0 | 112.3 | M417 I424 V425 E449 L450 I457 | M417-K421 WeakPolarHBondContact O-CG 3.14Å; M417-K421 PolarHBondContact O-N 3.22Å; M417-K421 HydrophobicContact SD-CD 4.37Å; M417-K421 HydrophobicContact SD-CG 4.21Å; K421-I424 PolarHBondContact O-N 2.93Å; K421-V425 WeakPolarHBondContact O-CB 3.36Å; K421-V425 VanDerWaalsContact O-CG2 3.26Å; K421-V425 WeakPolarHBondContact O-CG2 3.27Å; K421-V425 PolarHBondContact O-N 3.43Å; K421-E449 IonicContact NZ-OE1 2.98Å; K421-E449 PolarHBondContact NZ-OE1 2.75Å; K421-E449 IonicContact NZ-OE2 3.08Å; K421-E449 PolarHBondContact NZ-OE2 3.3Å; K421-L450 HydrophobicContact CG-CD2 3.84Å; K421-I457 HydrophobicContact CB-CG2 4.29Å; K421-I457 HydrophobicContact CG-CG2 4.17Å |
| 422 | E | 97.9 | Very high | 94.6 | Very high | 39 Ų | 39 | 29.4 Ų | 29.4 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.3 | -178.7 | 164.4 | -146.2 | 0 | 0 | 112 | A418 Q419 T420 V425 N426 R460 | A418-E422 PolarHBondContact O-N 3.06Å; Q419-E422 WeakPolarHBondContact O-CB 3.15Å; Q419-E422 PolarHBondContact O-N 3.32Å; T420-E422 VanDerWaalsContact C-N 3.32Å; T420-E422 PolarHBondContact O-N 3.32Å; E422-V425 PolarHBondContact O-N 2.82Å; E422-N426 WeakPolarHBondContact O-CB 3.45Å; E422-N426 PolarHBondContact O-N 2.83Å; E422-N426 PolarHBondContact O-ND2 2.95Å; E422-N426 VanDerWaalsContact O-ND2 3.13Å; E422-R460 VanDerWaalsContact CD-CZ 3.48Å; E422-R460 IonicContact OE1-CZ 2.71Å; E422-R460 IonicContact OE1-NE 3.49Å; E422-R460 IonicContact OE1-NH1 2.56Å; E422-R460 PolarHBondContact OE1-NH1 2.86Å; E422-R460 IonicContact OE1-NH2 3.3Å; E422-R460 IonicContact OE2-CZ 2.76Å; E422-R460 IonicContact OE2-NE 2.77Å; E422-R460 IonicContact OE2-NH1 2.82Å; E422-R460 PolarHBondContact OE2-NH1 2.86Å; E422-R460 IonicContact OE2-NH2 3.41Å; E422-R460 PolarHBondContact OE2-NH2 2.73Å |
| 423 | S | 98.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 175.4 | -74.9 | 0 | 0 | 0 | 0 | 112.4 | S384 N388 Q419 T420 N426 A427 | S384-S423 PolarHBondContact OG-OG 3.48Å; N388-S423 VanDerWaalsContact CG-OG 3.22Å; N388-S423 PolarHBondContact ND2-OG 3.43Å; N388-S423 VanDerWaalsContact ND2-OG 3.11Å; N388-S423 WeakPolarHBondContact OD1-CB 3.4Å; N388-S423 PolarHBondContact OD1-OG 3.19Å; Q419-S423 WeakPolarHBondContact O-CB 3.39Å; Q419-S423 PolarHBondContact O-N 2.88Å; Q419-S423 PolarHBondContact O-OG 3.09Å; T420-S423 WeakPolarHBondContact O-CB 3.26Å; T420-S423 PolarHBondContact O-N 3.27Å; S423-N426 PolarHBondContact O-N 3.27Å; S423-A427 WeakPolarHBondContact O-CB 3.29Å; S423-A427 PolarHBondContact O-N 3.49Å |
| 424 | I | 98.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -47.6 | 177.3 | -69.6 | 160.7 | 0 | 0 | 0 | 110.8 | I387 T420 K421 N426 A427 S428 I434 L450 I457 I468 V469 | I387-I424 HydrophobicContact CD1-CG1 4.19Å; T420-I424 HydrophobicContact CG2-CD1 3.77Å; T420-I424 WeakPolarHBondContact O-CG1 3.29Å; T420-I424 PolarHBondContact O-N 3.48Å; K421-I424 PolarHBondContact O-N 2.93Å; I424-N426 VanDerWaalsContact C-N 3.31Å; I424-N426 PolarHBondContact O-N 3.08Å; I424-A427 CarbonylContact O-C 3.56Å; I424-A427 PolarHBondContact O-N 3.25Å; I424-A427 VanDerWaalsContact O-N 3.14Å; I424-S428 WeakPolarHBondContact O-CB 3.49Å; I424-S428 PolarHBondContact O-N 2.72Å; I424-I434 HydrophobicContact CG1-CD1 4.03Å; I424-L450 HydrophobicContact CD1-CB 4.5Å; I424-L450 HydrophobicContact CD1-CD1 4.35Å; I424-L450 HydrophobicContact CD1-CD2 3.72Å; I424-L450 HydrophobicContact CD1-CG 4.41Å; I424-I457 HydrophobicContact CG2-CB 4.43Å; I424-I457 HydrophobicContact CG2-CG1 4.43Å; I424-I457 HydrophobicContact CG2-CG2 4.16Å; I424-I468 HydrophobicContact CG2-CD1 4.18Å; I424-I468 HydrophobicContact CG2-CG1 4.07Å; I424-V469 HydrophobicContact CD1-CG2 3.89Å; I424-V469 HydrophobicContact CG1-CG2 4.1Å; I424-V469 HydrophobicContact CG2-CG2 3.91Å |
| 425 | V | 97.9 | Very high | 97.1 | Very high | 10 Ų | 10 | 24 Ų | 24 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | K421 E422 S428 I457 R462 A464 | K421-V425 WeakPolarHBondContact O-CB 3.36Å; K421-V425 VanDerWaalsContact O-CG2 3.26Å; K421-V425 WeakPolarHBondContact O-CG2 3.27Å; K421-V425 PolarHBondContact O-N 3.43Å; E422-V425 PolarHBondContact O-N 2.82Å; V425-S428 PolarHBondContact O-N 3.32Å; V425-S428 PolarHBondContact O-OG 3.07Å; V425-I457 HydrophobicContact CG2-CG2 3.96Å; V425-R462 HydrophobicContact CG1-CB 4.17Å; V425-A464 HydrophobicContact CG2-CB 4.38Å |
| 426 | N | 97.7 | Very high | 97.2 | Very high | 68 Ų | 68 | 20.9 Ų | 20.9 | 36% | 0.364 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -67.9 | -34.7 | 177.3 | -68.8 | -28.7 | 0 | 0 | 0 | 112.7 | E422 S423 I424 C429 R462 | E422-N426 WeakPolarHBondContact O-CB 3.45Å; E422-N426 PolarHBondContact O-N 2.83Å; E422-N426 PolarHBondContact O-ND2 2.95Å; E422-N426 VanDerWaalsContact O-ND2 3.13Å; S423-N426 PolarHBondContact O-N 3.27Å; I424-N426 VanDerWaalsContact C-N 3.31Å; I424-N426 PolarHBondContact O-N 3.08Å; N426-C429 PolarHBondContact O-SG 3.1Å; N426-C429 VanDerWaalsContact O-SG 3.36Å; N426-R462 PolarHBondContact OD1-NH2 2.82Å |
| 427 | A | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -77.6 | -22.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A391 S423 I424 C429 L430 M432 I468 | A391-A427 HydrophobicContact CB-CB 4.37Å; S423-A427 WeakPolarHBondContact O-CB 3.29Å; S423-A427 PolarHBondContact O-N 3.49Å; I424-A427 CarbonylContact O-C 3.56Å; I424-A427 PolarHBondContact O-N 3.25Å; I424-A427 VanDerWaalsContact O-N 3.14Å; A427-C429 PolarHBondContact O-N 2.95Å; A427-L430 VanDerWaalsContact O-CB 3.24Å; A427-L430 WeakPolarHBondContact O-CB 3.41Å; A427-L430 PolarHBondContact O-N 2.86Å; A427-M432 HydrophobicContact CB-CE 4.44Å; A427-M432 HydrophobicContact CB-CG 4.36Å; A427-M432 HydrophobicContact CB-SD 3.75Å; A427-I468 HydrophobicContact CB-CD1 3.84Å |
| 428 | S | 97.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -12.4 | -176.1 | 71.7 | 0 | 0 | 0 | 0 | 115.1 | I424 V425 A464 E465 R466 | I424-S428 WeakPolarHBondContact O-CB 3.49Å; I424-S428 PolarHBondContact O-N 2.72Å; V425-S428 PolarHBondContact O-N 3.32Å; V425-S428 PolarHBondContact O-OG 3.07Å; S428-A464 WeakPolarHBondContact OG-CA 3.46Å; S428-E465 PolarHBondContact OG-N 3.06Å; S428-R466 PolarHBondContact O-NE 2.65Å; S428-R466 PolarHBondContact O-NH2 2.96Å |
| 429 | C | 96.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 15.5 Ų | 15.5 | 24% | 0.236 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -8.1 | 176.3 | 74.6 | 0 | 0 | 0 | 0 | 113.1 | N426 A427 E465 R510 | N426-C429 PolarHBondContact O-SG 3.1Å; N426-C429 VanDerWaalsContact O-SG 3.36Å; A427-C429 PolarHBondContact O-N 2.95Å; C429-E465 HydrophobicContact CB-CG 4.33Å; C429-E465 WeakPolarHBondContact CB-OE1 3.27Å; C429-E465 VanDerWaalsContact CB-OE2 3.24Å; C429-E465 WeakPolarHBondContact CB-OE2 3.41Å; C429-R510 PolarHBondContact O-NH2 3.05Å |
| 430 | L | 98.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 11.6 Ų | 11.6 | 15% | 0.147 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -95.4 | 163 | -173.9 | -54.8 | -176.2 | 0 | 0 | 0 | 112.3 | A391 A394 A395 A427 M432 R466 | A391-L430 HydrophobicContact CB-CD1 3.81Å; A391-L430 WeakPolarHBondContact O-CD1 3.45Å; A394-L430 HydrophobicContact CB-CB 4.1Å; A394-L430 HydrophobicContact CB-CD1 4.36Å; A395-L430 HydrophobicContact CB-CD1 4.19Å; A395-L430 HydrophobicContact CB-CD2 4Å; A427-L430 VanDerWaalsContact O-CB 3.24Å; A427-L430 WeakPolarHBondContact O-CB 3.41Å; A427-L430 PolarHBondContact O-N 2.86Å; L430-M432 HydrophobicContact CB-CG 4.22Å; L430-M432 HydrophobicContact CD1-SD 4.45Å; L430-M432 PolarHBondContact O-N 2.76Å; L430-R466 PolarHBondContact O-NH2 3.18Å |
| 431 | P | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.013 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -75.3 | 62.5 | 173.9 | 31.3 | -36 | 0 | 0 | 0 | 111.4 | A394 V397 Y403 F404 Y506 | A394-P431 HydrophobicContact CB-CG 4.14Å; A394-P431 WeakPolarHBondContact O-CD 3.15Å; A394-P431 WeakPolarHBondContact O-CG 3.44Å; V397-P431 HydrophobicContact CB-CG 4.26Å; Y403-P431 HydrophobicContact CD2-CB 3.85Å; Y403-P431 HydrophobicContact CE2-CB 4.38Å; F404-P431 PolarHBondContact N-O 2.96Å; P431-Y506 HydrophobicContact CB-CD1 3.98Å; P431-Y506 HydrophobicContact CB-CE1 3.49Å; P431-Y506 VanDerWaalsContact CB-CE1 3.49Å; P431-Y506 HydrophobicContact CB-CE2 4.16Å; P431-Y506 HydrophobicContact CG-CE1 4.42Å |
| 432 | M | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 152.1 | 178 | 70.1 | -179.2 | -74.5 | 0 | 0 | 114.3 | V390 A391 A394 Y403 F404 A427 L430 I434 I468 | V390-M432 HydrophobicContact CB-CE 4.03Å; V390-M432 HydrophobicContact CG1-CE 3.86Å; V390-M432 HydrophobicContact CG1-SD 4.46Å; A391-M432 VanDerWaalsContact CA-SD 3.58Å; A391-M432 HydrophobicContact CB-SD 3.83Å; A394-M432 HydrophobicContact CB-CB 4.11Å; A394-M432 HydrophobicContact CB-CG 4.37Å; A394-M432 HydrophobicContact CB-SD 4.15Å; Y403-M432 PolarHBondContact OH-O 2.85Å; F404-M432 HydrophobicContact CB-CB 3.93Å; F404-M432 CarbonylContact O-C 2.99Å; F404-M432 WeakPolarHBondContact O-CA 3.4Å; F404-M432 WeakPolarHBondContact O-CB 3.37Å; A427-M432 HydrophobicContact CB-CE 4.44Å; A427-M432 HydrophobicContact CB-CG 4.36Å; A427-M432 HydrophobicContact CB-SD 3.75Å; L430-M432 HydrophobicContact CB-CG 4.22Å; L430-M432 HydrophobicContact CD1-SD 4.45Å; L430-M432 PolarHBondContact O-N 2.76Å; M432-I434 HydrophobicContact CE-CD1 4.27Å; M432-I434 HydrophobicContact CE-CG1 3.96Å; M432-I468 WeakPolarHBondContact O-CG2 3.24Å |
| 433 | S | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 155.7 | 169.3 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | Y403 F404 V405 L406 I468 Q502 | Y403-S433 WeakPolarHBondContact CE1-OG 3.08Å; Y403-S433 PolarHBondContact OH-OG 2.88Å; F404-S433 PolarHBondContact O-N 2.79Å; V405-S433 WeakPolarHBondContact CA-O 3.41Å; L406-S433 PolarHBondContact N-O 2.93Å; S433-I468 CarbonylContact C-O 3.55Å; S433-I468 WeakPolarHBondContact CA-O 3.5Å; S433-Q502 PolarHBondContact OG-OE1 3.42Å |
| 434 | I | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123 | -178.5 | -56.2 | 168.5 | 0 | 0 | 0 | 107.1 | I387 L406 I408 I424 M432 I436 I468 V469 Q470 | I387-I434 HydrophobicContact CD1-CD1 4.19Å; I387-I434 HydrophobicContact CG1-CD1 4.09Å; I387-I434 HydrophobicContact CG2-CD1 3.85Å; L406-I434 CarbonylContact O-C 3.44Å; L406-I434 WeakPolarHBondContact O-CA 3.33Å; I408-I434 HydrophobicContact CD1-CG2 4.02Å; I408-I434 HydrophobicContact CG1-CG2 4.44Å; I424-I434 HydrophobicContact CG1-CD1 4.03Å; M432-I434 HydrophobicContact CE-CD1 4.27Å; M432-I434 HydrophobicContact CE-CG1 3.96Å; I434-I436 HydrophobicContact CG2-CG1 4.04Å; I434-I468 HydrophobicContact CD1-CD1 3.95Å; I434-I468 HydrophobicContact CG1-CD1 4.47Å; I434-I468 PolarHBondContact N-O 3.46Å; I434-V469 HydrophobicContact CB-CG2 4.38Å; I434-V469 HydrophobicContact CD1-CG2 4.44Å; I434-V469 CarbonylContact O-C 3.57Å; I434-V469 VanDerWaalsContact O-CA 3.25Å; I434-V469 WeakPolarHBondContact O-CA 3.35Å; I434-Q470 PolarHBondContact O-N 2.91Å |
| 435 | I | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.3 | 172.6 | -66.5 | 167.3 | 0 | 0 | 0 | 107.2 | V315 V405 L406 L407 I408 V437 Q470 V495 L496 I499 | V315-I435 HydrophobicContact CG1-CD1 4.36Å; V405-I435 HydrophobicContact CG1-CD1 3.62Å; V405-I435 HydrophobicContact CG1-CG1 4.27Å; L406-I435 PolarHBondContact O-N 2.93Å; L407-I435 CarbonylContact C-O 3.53Å; L407-I435 WeakPolarHBondContact CA-O 3.45Å; L407-I435 HydrophobicContact CD1-CB 4.09Å; L407-I435 HydrophobicContact CD1-CG2 3.51Å; I408-I435 PolarHBondContact N-O 2.97Å; I435-V437 HydrophobicContact CG2-CG2 4.09Å; I435-Q470 CarbonylContact C-O 3.47Å; I435-Q470 WeakPolarHBondContact CA-O 3.14Å; I435-V495 HydrophobicContact CB-CG1 4.34Å; I435-V495 HydrophobicContact CD1-CG1 3.81Å; I435-V495 HydrophobicContact CG1-CG1 4.2Å; I435-V495 HydrophobicContact CG2-CB 4.48Å; I435-V495 HydrophobicContact CG2-CG1 3.29Å; I435-L496 HydrophobicContact CD1-CD2 3.95Å; I435-I499 HydrophobicContact CD1-CD1 4Å; I435-I499 HydrophobicContact CD1-CG1 4.22Å; I435-I499 HydrophobicContact CG1-CD1 4.07Å |
| 436 | I | 95.3 | Very high | 94 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.4 | 174.9 | -53.5 | 179.1 | 0 | 0 | 0 | 108.4 | F383 I408 T410 I434 M447 L450 V469 Q470 F471 V472 | F383-I436 HydrophobicContact CD2-CD1 4.42Å; F383-I436 HydrophobicContact CE2-CD1 4.36Å; F383-I436 HydrophobicContact CE2-CG2 4.39Å; I408-I436 HydrophobicContact CB-CG1 4.4Å; I408-I436 CarbonylContact O-C 3.5Å; I408-I436 WeakPolarHBondContact O-CA 3.38Å; T410-I436 HydrophobicContact CG2-CG2 4.16Å; I434-I436 HydrophobicContact CG2-CG1 4.04Å; I436-M447 HydrophobicContact CG2-CG 4.24Å; I436-L450 HydrophobicContact CD1-CD1 4.12Å; I436-V469 HydrophobicContact CD1-CG1 3.88Å; I436-V469 HydrophobicContact CG1-CG1 4.28Å; I436-Q470 PolarHBondContact N-O 3.34Å; I436-F471 HydrophobicContact CB-CD2 4.01Å; I436-F471 HydrophobicContact CG2-CD2 3.87Å; I436-F471 HydrophobicContact CG2-CE2 4.38Å; I436-F471 WeakPolarHBondContact O-CA 3.47Å; I436-F471 VanDerWaalsContact O-CD2 3.32Å; I436-F471 WeakPolarHBondContact O-CD2 3.17Å; I436-V472 PolarHBondContact O-N 3.37Å |
| 437 | V | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.5 | 173.8 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | A311 L407 I408 I409 T410 I435 V439 V472 F474 L491 V495 | A311-V437 HydrophobicContact CB-CB 4.48Å; A311-V437 HydrophobicContact CB-CG1 3.81Å; L407-V437 HydrophobicContact CD1-CB 4.48Å; L407-V437 HydrophobicContact CD1-CG2 3.75Å; I408-V437 PolarHBondContact O-N 3Å; I409-V437 WeakPolarHBondContact CA-O 3.49Å; T410-V437 PolarHBondContact N-O 2.84Å; T410-V437 VanDerWaalsContact N-O 3.1Å; I435-V437 HydrophobicContact CG2-CG2 4.09Å; V437-V439 HydrophobicContact CG1-CG1 4.42Å; V437-V472 WeakPolarHBondContact CA-O 3.39Å; V437-F474 HydrophobicContact CG1-CB 3.93Å; V437-L491 HydrophobicContact CG1-CD1 4.31Å; V437-L491 HydrophobicContact CG1-CD2 4.47Å; V437-V495 HydrophobicContact CG2-CG2 4Å |
| 438 | G | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T410 V472 F474 | T410-G438 CarbonylContact O-C 3.33Å; T410-G438 WeakPolarHBondContact O-CA 3.5Å; G438-V472 PolarHBondContact N-O 3.46Å; G438-F474 VanDerWaalsContact O-CB 3.3Å; G438-F474 WeakPolarHBondContact O-CB 3.3Å; G438-F474 PolarHBondContact O-N 2.84Å |
| 439 | V | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -111.2 | 156.6 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | A307 Y308 I409 T410 D411 V437 F474 | A307-V439 HydrophobicContact CB-CB 3.82Å; A307-V439 HydrophobicContact CB-CG1 3.83Å; Y308-V439 HydrophobicContact CD2-CG2 3.93Å; Y308-V439 HydrophobicContact CE1-CG2 4.13Å; Y308-V439 HydrophobicContact CE2-CG2 3.4Å; Y308-V439 HydrophobicContact CG-CG2 4.46Å; I409-V439 HydrophobicContact CG2-CG1 3.85Å; I409-V439 HydrophobicContact CG2-CG2 4.46Å; T410-V439 WeakPolarHBondContact O-CG2 3.42Å; T410-V439 PolarHBondContact O-N 3.23Å; D411-V439 CarbonylContact C-O 3.54Å; D411-V439 VanDerWaalsContact CA-O 3.22Å; D411-V439 WeakPolarHBondContact CA-O 3.49Å; D411-V439 HydrophobicContact CB-CG2 4.21Å; V437-V439 HydrophobicContact CG1-CG1 4.42Å; V439-F474 HydrophobicContact CG1-CB 4.06Å; V439-F474 HydrophobicContact CG1-CD1 4.34Å; V439-F474 HydrophobicContact CG1-CG 4.43Å | ||
| 440 | G | 90.1 | Very high | 92.8 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 78.2 | -168.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 441 | P | 87.8 | Confident | 92.3 | Very high | 109 Ų | 109 | 31.1 Ų | 31.1 | 71% | 0.708 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -95.2 | 2.5 | -165.9 | 36.8 | -36.1 | 0 | 0 | 0 | 114.8 | R475 | P441-R475 PolarHBondContact O-NH1 3Š|
| 442 | A | 87.1 | Confident | 91.6 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 22% | 0.223 | 18% | 0.18 | C | C | . | . | trans | -63.2 | 164.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D411 F444 R475 | D411-A442 WeakPolarHBondContact O-CB 3.25Å; A442-F444 WeakPolarHBondContact O-CD2 3.49Å; A442-F444 WeakPolarHBondContact O-CE2 3.49Å; A442-R475 PolarHBondContact O-NH1 3.44Å | ||
| 443 | E | 86.4 | Confident | 90.8 | Very high | 135 Ų | 135 | 35.8 Ų | 35.8 | 63% | 0.631 | 21% | 0.205 | S | C | * | . | trans | -82.6 | 136.3 | 169.7 | -62.8 | -58.5 | 162.8 | 0 | 0 | 110.4 | R475 | E443-R475 IonicContact OE2-NH2 3.45Š| ||
| 444 | F | 89.9 | Confident | 90.1 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | trans | -113 | 19.4 | -170.8 | -64.9 | -68.7 | 0 | 0 | 0 | 113.8 | A442 A446 M447 V448 F471 P473 | A442-F444 WeakPolarHBondContact O-CD2 3.49Å; A442-F444 WeakPolarHBondContact O-CE2 3.49Å; F444-A446 PolarHBondContact O-N 3.33Å; F444-A446 VanDerWaalsContact O-N 3.11Å; F444-M447 HydrophobicContact CB-CB 4.42Å; F444-M447 HydrophobicContact CD1-CG 4.36Å; F444-M447 HydrophobicContact CD1-SD 4.07Å; F444-M447 WeakPolarHBondContact O-CA 3.49Å; F444-M447 PolarHBondContact O-N 3.18Å; F444-V448 PolarHBondContact O-N 3.36Å; F444-F471 HydrophobicContact CB-CE1 3.69Å; F444-F471 HydrophobicContact CB-CE2 4.37Å; F444-F471 HydrophobicContact CB-CZ 3.38Å; F444-F471 HydrophobicContact CD1-CE2 4.15Å; F444-F471 AromaticContact CD1-CZ 3.81Å; F444-F471 HydrophobicContact CD1-CZ 3.81Å; F444-F471 HydrophobicContact CD2-CZ 4.04Å; F444-F471 HydrophobicContact CG-CE1 4.28Å; F444-F471 HydrophobicContact CG-CE2 4.29Å; F444-F471 AromaticContact CG-CZ 3.49Å; F444-F471 HydrophobicContact CG-CZ 3.49Å; F444-F471 VanDerWaalsContact CG-CZ 3.49Å; F444-P473 HydrophobicContact CD2-CB 4.11Å; F444-P473 HydrophobicContact CE2-CB 4.31Å | ||
| 445 | D | 89.9 | Confident | 89.6 | Confident | 124 Ų | 124 | 49.7 Ų | 49.7 | 66% | 0.663 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -51.4 | -39.3 | -179.8 | -61.4 | -27.6 | 0 | 0 | 0 | 112.7 | M447 V448 E449 | D445-M447 VanDerWaalsContact C-N 3.32Å; D445-M447 PolarHBondContact O-N 3.22Å; D445-V448 PolarHBondContact O-N 3.37Å; D445-E449 PolarHBondContact O-N 3.12Å |
| 446 | A | 89.2 | Confident | 89.4 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 23% | 0.231 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -39.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I414 M417 F444 E449 L450 | I414-A446 HydrophobicContact CG2-CB 3.76Å; M417-A446 HydrophobicContact CE-CB 3.4Å; M417-A446 VanDerWaalsContact CE-O 3.23Å; M417-A446 WeakPolarHBondContact CE-O 3.32Å; F444-A446 PolarHBondContact O-N 3.33Å; F444-A446 VanDerWaalsContact O-N 3.11Å; A446-E449 WeakPolarHBondContact O-CB 3.39Å; A446-E449 PolarHBondContact O-N 3.41Å; A446-L450 WeakPolarHBondContact O-CG 2.92Å; A446-L450 PolarHBondContact O-N 3.33Å |
| 447 | M | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.2 | -35.5 | -178.5 | -66.5 | 66.3 | 179.2 | 0 | 0 | 111.1 | F383 T410 I414 I436 F444 D445 E449 L450 D451 F471 | F383-M447 HydrophobicContact CE2-CE 4.24Å; F383-M447 HydrophobicContact CZ-CE 4.09Å; T410-M447 HydrophobicContact CG2-CE 4.11Å; I414-M447 HydrophobicContact CB-CE 4.28Å; I436-M447 HydrophobicContact CG2-CG 4.24Å; F444-M447 HydrophobicContact CB-CB 4.42Å; F444-M447 HydrophobicContact CD1-CG 4.36Å; F444-M447 HydrophobicContact CD1-SD 4.07Å; F444-M447 WeakPolarHBondContact O-CA 3.49Å; F444-M447 PolarHBondContact O-N 3.18Å; D445-M447 VanDerWaalsContact C-N 3.32Å; D445-M447 PolarHBondContact O-N 3.22Å; M447-E449 VanDerWaalsContact C-N 3.26Å; M447-E449 PolarHBondContact O-N 2.89Å; M447-L450 WeakPolarHBondContact O-CB 3.47Å; M447-L450 PolarHBondContact O-N 3.07Å; M447-D451 PolarHBondContact O-N 2.8Å; M447-D451 VanDerWaalsContact O-N 3.14Å; M447-F471 HydrophobicContact CB-CB 4.42Å; M447-F471 HydrophobicContact CB-CD1 3.86Å; M447-F471 HydrophobicContact CB-CD2 3.38Å; M447-F471 HydrophobicContact CB-CE1 3.96Å; M447-F471 HydrophobicContact CB-CE2 3.49Å; M447-F471 VanDerWaalsContact CB-CE2 3.49Å; M447-F471 HydrophobicContact CB-CG 3.58Å; M447-F471 HydrophobicContact CB-CZ 3.8Å; M447-F471 HydrophobicContact CG-CD2 4.03Å; M447-F471 HydrophobicContact CG-CE2 3.9Å; M447-F471 HydrophobicContact CG-CZ 4.45Å |
| 448 | V | 89.8 | Confident | 89.3 | Confident | 79 Ų | 79 | 57.3 Ų | 57.3 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 169.1 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | F444 D445 L450 D451 F471 | F444-V448 PolarHBondContact O-N 3.36Å; D445-V448 PolarHBondContact O-N 3.37Å; V448-L450 VanDerWaalsContact C-N 3.26Å; V448-L450 PolarHBondContact O-N 3.24Å; V448-D451 WeakPolarHBondContact O-CB 3.4Å; V448-D451 PolarHBondContact O-N 3.19Å; V448-F471 HydrophobicContact CG2-CD1 3.97Å; V448-F471 HydrophobicContact CG2-CE1 3.96Å |
| 449 | E | 91.1 | Very high | 89.3 | Confident | 103 Ų | 103 | 58.1 Ų | 58.1 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -32.1 | 173.2 | -171.7 | -177.6 | -168.4 | 0 | 0 | 112.4 | K421 D445 A446 M447 I457 | K421-E449 IonicContact NZ-OE1 2.98Å; K421-E449 PolarHBondContact NZ-OE1 2.75Å; K421-E449 IonicContact NZ-OE2 3.08Å; K421-E449 PolarHBondContact NZ-OE2 3.3Å; D445-E449 PolarHBondContact O-N 3.12Å; A446-E449 WeakPolarHBondContact O-CB 3.39Å; A446-E449 PolarHBondContact O-N 3.41Å; M447-E449 VanDerWaalsContact C-N 3.26Å; M447-E449 PolarHBondContact O-N 2.89Å; E449-I457 WeakPolarHBondContact O-CD1 3.43Å |
| 450 | L | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -77.2 | -22.1 | 179.2 | -69.1 | -178 | 0 | 0 | 0 | 114 | I414 M417 T420 K421 I424 I436 A446 M447 V448 G452 I457 V469 | I414-L450 HydrophobicContact CD1-CD1 4.06Å; M417-L450 HydrophobicContact CE-CD2 4.48Å; M417-L450 HydrophobicContact CE-CG 4.33Å; M417-L450 HydrophobicContact SD-CD1 4.46Å; M417-L450 HydrophobicContact SD-CD2 3.72Å; M417-L450 HydrophobicContact SD-CG 4.13Å; T420-L450 HydrophobicContact CG2-CD1 3.81Å; T420-L450 HydrophobicContact CG2-CD2 4.27Å; K421-L450 HydrophobicContact CG-CD2 3.84Å; I424-L450 HydrophobicContact CD1-CB 4.5Å; I424-L450 HydrophobicContact CD1-CD1 4.35Å; I424-L450 HydrophobicContact CD1-CD2 3.72Å; I424-L450 HydrophobicContact CD1-CG 4.41Å; I436-L450 HydrophobicContact CD1-CD1 4.12Å; A446-L450 WeakPolarHBondContact O-CG 2.92Å; A446-L450 PolarHBondContact O-N 3.33Å; M447-L450 WeakPolarHBondContact O-CB 3.47Å; M447-L450 PolarHBondContact O-N 3.07Å; V448-L450 VanDerWaalsContact C-N 3.26Å; V448-L450 PolarHBondContact O-N 3.24Å; L450-G452 PolarHBondContact O-N 2.82Å; L450-I457 WeakPolarHBondContact O-CD1 3.06Å; L450-V469 HydrophobicContact CB-CG1 4.33Å; L450-V469 VanDerWaalsContact O-CB 3.25Å; L450-V469 WeakPolarHBondContact O-CB 3.19Å; L450-V469 WeakPolarHBondContact O-CG1 3.38Å |
| 451 | D | 89.1 | Confident | 89.4 | Confident | 20 Ų | 20 | 70 Ų | 70 | 11% | 0.107 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61 | -31.2 | -176 | -150.7 | 20 | 0 | 0 | 0 | 112.9 | M447 V448 D453 Q470 F471 | M447-D451 PolarHBondContact O-N 2.8Å; M447-D451 VanDerWaalsContact O-N 3.14Å; V448-D451 WeakPolarHBondContact O-CB 3.4Å; V448-D451 PolarHBondContact O-N 3.19Å; D451-D453 PolarHBondContact O-N 2.89Å; D451-Q470 VanDerWaalsContact OD1-CA 3.24Å; D451-Q470 WeakPolarHBondContact OD1-CA 3.42Å; D451-F471 HydrophobicContact CB-CB 4.22Å; D451-F471 PolarHBondContact OD1-N 2.96Å |
| 452 | G | 81.8 | Confident | 89.7 | Confident | 4 Ų | 4 | 71 Ų | 71 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | trans | 80.7 | -10.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116 | L450 V455 | L450-G452 PolarHBondContact O-N 2.82Å; G452-V455 WeakPolarHBondContact CA-O 3.4Å; G452-V455 CarbonylContact O-C 3.47Å | ||
| 453 | D | 82.1 | Confident | 90.2 | Very high | 97 Ų | 97 | 76.3 Ų | 76.3 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -55.4 | -51.7 | -179.8 | -85.6 | -5.7 | 0 | 0 | 0 | 114.4 | D451 | D451-D453 PolarHBondContact O-N 2.89Š|
| 454 | E | 81.5 | Confident | 90.7 | Very high | 185 Ų | 185 | 70.3 Ų | 70.3 | 86% | 0.864 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -81.4 | -40 | -179.9 | -64.3 | -168.6 | 169.4 | 0 | 0 | 111.9 | ||
| 455 | V | 87 | Confident | 90.9 | Very high | 107 Ų | 107 | 75.5 Ų | 75.5 | 65% | 0.648 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -138.8 | 116.4 | -173.5 | -177 | 0 | 0 | 0 | 0 | 109.9 | G452 I457 | G452-V455 WeakPolarHBondContact CA-O 3.4Å; G452-V455 CarbonylContact O-C 3.47Å; V455-I457 PolarHBondContact O-N 2.83Å |
| 456 | R | 92.4 | Very high | 91.1 | Very high | 102 Ų | 102 | 70 Ų | 70 | 39% | 0.385 | 36% | 0.357 | S | S | . | . | trans | -52.7 | 122.5 | 175.9 | -174.3 | 65.8 | 61.2 | -150.8 | -6.9 | 110.7 | S458 F463 A464 D467 | R456-S458 PolarHBondContact O-N 2.91Å; R456-F463 HydrophobicContact CB-CD1 4.26Å; R456-F463 HydrophobicContact CG-CB 4.25Å; R456-F463 HydrophobicContact CG-CD1 4.18Å; R456-A464 WeakPolarHBondContact CD-O 3.31Å; R456-D467 IonicContact CZ-OD2 3.65Å; R456-D467 VanDerWaalsContact NH1-CG 3.3Å; R456-D467 IonicContact NH1-OD2 2.79Å; R456-D467 PolarHBondContact NH1-OD2 2.59Å | ||
| 457 | I | 94.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | trans | -53.8 | 135.7 | 178.5 | -56.3 | -60 | 0 | 0 | 0 | 111.1 | K421 I424 V425 E449 L450 V455 F463 A464 | K421-I457 HydrophobicContact CB-CG2 4.29Å; K421-I457 HydrophobicContact CG-CG2 4.17Å; I424-I457 HydrophobicContact CG2-CB 4.43Å; I424-I457 HydrophobicContact CG2-CG1 4.43Å; I424-I457 HydrophobicContact CG2-CG2 4.16Å; V425-I457 HydrophobicContact CG2-CG2 3.96Å; E449-I457 WeakPolarHBondContact O-CD1 3.43Å; L450-I457 WeakPolarHBondContact O-CD1 3.06Å; V455-I457 PolarHBondContact O-N 2.83Å; I457-F463 WeakPolarHBondContact O-CA 3.36Å; I457-A464 HydrophobicContact CB-CB 4.36Å; I457-A464 PolarHBondContact O-N 3.02Å | ||
| 458 | S | 94.8 | Very high | 91.7 | Very high | 51 Ų | 51 | 70 Ų | 70 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 152.1 | 174.9 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | R456 R462 | R456-S458 PolarHBondContact O-N 2.91Å; S458-R462 CarbonylContact C-O 3.57Å; S458-R462 WeakPolarHBondContact CA-O 3.22Å; S458-R462 WeakPolarHBondContact CB-O 3.3Å |
| 459 | S | 95.9 | Very high | 91.9 | Very high | 16 Ų | 16 | 66.2 Ų | 66.2 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 131 | 174.5 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | G461 R462 | S459-G461 PolarHBondContact O-N 2.9Å; S459-R462 PolarHBondContact N-O 2.84Å; S459-R462 PolarHBondContact O-N 3.24Å |
| 460 | R | 93.2 | Very high | 92.1 | Very high | 195 Ų | 195 | 62.2 Ų | 62.2 | 74% | 0.736 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 40.6 | 179.7 | -56.6 | -179.4 | -178.4 | 164 | 4.3 | 113.3 | E422 R462 | E422-R460 VanDerWaalsContact CD-CZ 3.48Å; E422-R460 IonicContact OE1-CZ 2.71Å; E422-R460 IonicContact OE1-NE 3.49Å; E422-R460 IonicContact OE1-NH1 2.56Å; E422-R460 PolarHBondContact OE1-NH1 2.86Å; E422-R460 IonicContact OE1-NH2 3.3Å; E422-R460 IonicContact OE2-CZ 2.76Å; E422-R460 IonicContact OE2-NE 2.77Å; E422-R460 IonicContact OE2-NH1 2.82Å; E422-R460 PolarHBondContact OE2-NH1 2.86Å; E422-R460 IonicContact OE2-NH2 3.41Å; E422-R460 PolarHBondContact OE2-NH2 2.73Å; R460-R462 VanDerWaalsContact C-N 3.28Å; R460-R462 PolarHBondContact O-N 2.96Å |
| 461 | G | 91.1 | Very high | 92.2 | Very high | 72 Ų | 72 | 62.9 Ų | 62.9 | 74% | 0.742 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 4.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | S459 | S459-G461 PolarHBondContact O-N 2.9Š|
| 462 | R | 95.7 | Very high | 92.3 | Very high | 131 Ų | 131 | 62.1 Ų | 62.1 | 49% | 0.494 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.9 | 171.5 | -62.6 | -173.2 | -62.2 | 159.9 | 7.7 | 109.9 | V425 N426 S458 S459 R460 | V425-R462 HydrophobicContact CG1-CB 4.17Å; N426-R462 PolarHBondContact OD1-NH2 2.82Å; S458-R462 CarbonylContact C-O 3.57Å; S458-R462 WeakPolarHBondContact CA-O 3.22Å; S458-R462 WeakPolarHBondContact CB-O 3.3Å; S459-R462 PolarHBondContact N-O 2.84Å; S459-R462 PolarHBondContact O-N 3.24Å; R460-R462 VanDerWaalsContact C-N 3.28Å; R460-R462 PolarHBondContact O-N 2.96Å |
| 463 | F | 96.4 | Very high | 92.8 | Very high | 138 Ų | 138 | 63 Ų | 63 | 61% | 0.605 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 149.7 | 173.8 | -68.4 | -89.6 | 0 | 0 | 0 | 110.4 | R456 I457 | R456-F463 HydrophobicContact CB-CD1 4.26Å; R456-F463 HydrophobicContact CG-CB 4.25Å; R456-F463 HydrophobicContact CG-CD1 4.18Å; I457-F463 WeakPolarHBondContact O-CA 3.36Å |
| 464 | A | 96.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | trans | -59.1 | 138.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V425 S428 R456 I457 R466 | V425-A464 HydrophobicContact CG2-CB 4.38Å; S428-A464 WeakPolarHBondContact OG-CA 3.46Å; R456-A464 WeakPolarHBondContact CD-O 3.31Å; I457-A464 HydrophobicContact CB-CB 4.36Å; I457-A464 PolarHBondContact O-N 3.02Å; A464-R466 VanDerWaalsContact C-N 3.28Å; A464-R466 PolarHBondContact O-N 2.82Å | ||
| 465 | E | 95.1 | Very high | 93.4 | Very high | 116 Ų | 116 | 54.1 Ų | 54.1 | 54% | 0.542 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -66.5 | -32.4 | 179.9 | -73.7 | -176.2 | -164.8 | 0 | 0 | 111.9 | S428 C429 R510 | S428-E465 PolarHBondContact OG-N 3.06Å; C429-E465 HydrophobicContact CB-CG 4.33Å; C429-E465 WeakPolarHBondContact CB-OE1 3.27Å; C429-E465 VanDerWaalsContact CB-OE2 3.24Å; C429-E465 WeakPolarHBondContact CB-OE2 3.41Å; E465-R510 IonicContact OE2-CZ 3.61Å; E465-R510 IonicContact OE2-NH2 2.82Å; E465-R510 PolarHBondContact OE2-NH2 3.01Å; E465-R510 VanDerWaalsContact OE2-NH2 3.11Å |
| 466 | R | 94.6 | Very high | 93.4 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -148 | 165 | -175.5 | -68.9 | 178.5 | -75.3 | 104.3 | -0.1 | 109.7 | S428 L430 A464 S505 Y506 | S428-R466 PolarHBondContact O-NE 2.65Å; S428-R466 PolarHBondContact O-NH2 2.96Å; L430-R466 PolarHBondContact O-NH2 3.18Å; A464-R466 VanDerWaalsContact C-N 3.28Å; A464-R466 PolarHBondContact O-N 2.82Å; R466-S505 WeakPolarHBondContact CD-OG 3.04Å; R466-Y506 VanDerWaalsContact NH2-CD2 3.28Å |
| 467 | D | 94.3 | Very high | 92.8 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | trans | -76.6 | 137.3 | 164.4 | -131.9 | -39.6 | 0 | 0 | 0 | 110.9 | R456 V469 | R456-D467 IonicContact CZ-OD2 3.65Å; R456-D467 VanDerWaalsContact NH1-CG 3.3Å; R456-D467 IonicContact NH1-OD2 2.79Å; R456-D467 PolarHBondContact NH1-OD2 2.59Å; D467-V469 PolarHBondContact OD1-N 3.18Å | ||
| 468 | I | 96.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | trans | -143 | 0.9 | -179.8 | 65.7 | 158.6 | 0 | 0 | 0 | 112.3 | I424 A427 M432 S433 I434 | I424-I468 HydrophobicContact CG2-CD1 4.18Å; I424-I468 HydrophobicContact CG2-CG1 4.07Å; A427-I468 HydrophobicContact CB-CD1 3.84Å; M432-I468 WeakPolarHBondContact O-CG2 3.24Å; S433-I468 CarbonylContact C-O 3.55Å; S433-I468 WeakPolarHBondContact CA-O 3.5Å; I434-I468 HydrophobicContact CD1-CD1 3.95Å; I434-I468 HydrophobicContact CG1-CD1 4.47Å; I434-I468 PolarHBondContact N-O 3.46Å | ||
| 469 | V | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 140 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | I424 I434 I436 L450 D467 | I424-V469 HydrophobicContact CD1-CG2 3.89Å; I424-V469 HydrophobicContact CG1-CG2 4.1Å; I424-V469 HydrophobicContact CG2-CG2 3.91Å; I434-V469 HydrophobicContact CB-CG2 4.38Å; I434-V469 HydrophobicContact CD1-CG2 4.44Å; I434-V469 CarbonylContact O-C 3.57Å; I434-V469 VanDerWaalsContact O-CA 3.25Å; I434-V469 WeakPolarHBondContact O-CA 3.35Å; I436-V469 HydrophobicContact CD1-CG1 3.88Å; I436-V469 HydrophobicContact CG1-CG1 4.28Å; L450-V469 HydrophobicContact CB-CG1 4.33Å; L450-V469 VanDerWaalsContact O-CB 3.25Å; L450-V469 WeakPolarHBondContact O-CB 3.19Å; L450-V469 WeakPolarHBondContact O-CG1 3.38Å; D467-V469 PolarHBondContact OD1-N 3.18Å |
| 470 | Q | 94.6 | Very high | 88.8 | Confident | 19 Ų | 19 | 66.4 Ų | 66.4 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 121.1 | 165.8 | 179.3 | 61.6 | 17.9 | 0 | 0 | 108.2 | I434 I435 I436 D451 V472 D494 E498 | I434-Q470 PolarHBondContact O-N 2.91Å; I435-Q470 CarbonylContact C-O 3.47Å; I435-Q470 WeakPolarHBondContact CA-O 3.14Å; I436-Q470 PolarHBondContact N-O 3.34Å; D451-Q470 VanDerWaalsContact OD1-CA 3.24Å; D451-Q470 WeakPolarHBondContact OD1-CA 3.42Å; Q470-V472 HydrophobicContact CG-CG2 4.19Å; Q470-D494 PolarHBondContact NE2-O 3.29Å; Q470-E498 VanDerWaalsContact OE1-CG 3.32Å; Q470-E498 PolarHBondContact OE1-OE1 3.08Å; Q470-E498 PolarHBondContact OE1-OE2 3.18Å |
| 471 | F | 93.1 | Very high | 87.4 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130 | 176.2 | 172.8 | -111.3 | 0 | 0 | 0 | 112 | I436 F444 M447 V448 D451 P473 | I436-F471 HydrophobicContact CB-CD2 4.01Å; I436-F471 HydrophobicContact CG2-CD2 3.87Å; I436-F471 HydrophobicContact CG2-CE2 4.38Å; I436-F471 WeakPolarHBondContact O-CA 3.47Å; I436-F471 VanDerWaalsContact O-CD2 3.32Å; I436-F471 WeakPolarHBondContact O-CD2 3.17Å; F444-F471 HydrophobicContact CB-CE1 3.69Å; F444-F471 HydrophobicContact CB-CE2 4.37Å; F444-F471 HydrophobicContact CB-CZ 3.38Å; F444-F471 HydrophobicContact CD1-CE2 4.15Å; F444-F471 AromaticContact CD1-CZ 3.81Å; F444-F471 HydrophobicContact CD1-CZ 3.81Å; F444-F471 HydrophobicContact CD2-CZ 4.04Å; F444-F471 HydrophobicContact CG-CE1 4.28Å; F444-F471 HydrophobicContact CG-CE2 4.29Å; F444-F471 AromaticContact CG-CZ 3.49Å; F444-F471 HydrophobicContact CG-CZ 3.49Å; F444-F471 VanDerWaalsContact CG-CZ 3.49Å; M447-F471 HydrophobicContact CB-CB 4.42Å; M447-F471 HydrophobicContact CB-CD1 3.86Å; M447-F471 HydrophobicContact CB-CD2 3.38Å; M447-F471 HydrophobicContact CB-CE1 3.96Å; M447-F471 HydrophobicContact CB-CE2 3.49Å; M447-F471 VanDerWaalsContact CB-CE2 3.49Å; M447-F471 HydrophobicContact CB-CG 3.58Å; M447-F471 HydrophobicContact CB-CZ 3.8Å; M447-F471 HydrophobicContact CG-CD2 4.03Å; M447-F471 HydrophobicContact CG-CE2 3.9Å; M447-F471 HydrophobicContact CG-CZ 4.45Å; V448-F471 HydrophobicContact CG2-CD1 3.97Å; V448-F471 HydrophobicContact CG2-CE1 3.96Å; D451-F471 HydrophobicContact CB-CB 4.22Å; D451-F471 PolarHBondContact OD1-N 2.96Å; F471-P473 HydrophobicContact CE1-CB 4.33Å; F471-P473 HydrophobicContact CE1-CG 4.33Å; F471-P473 HydrophobicContact CZ-CB 4.01Å; F471-P473 HydrophobicContact CZ-CG 4.48Å |
| 472 | V | 91.9 | Very high | 86 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 120.5 | 175.8 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | I436 V437 G438 Q470 F474 Y477 L491 V495 | I436-V472 PolarHBondContact O-N 3.37Å; V437-V472 WeakPolarHBondContact CA-O 3.39Å; G438-V472 PolarHBondContact N-O 3.46Å; Q470-V472 HydrophobicContact CG-CG2 4.19Å; V472-F474 PolarHBondContact O-N 3.22Å; V472-Y477 HydrophobicContact CG1-CD2 4.16Å; V472-Y477 HydrophobicContact CG1-CE2 3.26Å; V472-L491 HydrophobicContact CB-CD1 4.31Å; V472-L491 HydrophobicContact CG1-CD1 3.65Å; V472-V495 HydrophobicContact CB-CG2 3.65Å; V472-V495 HydrophobicContact CG1-CG2 4.08Å; V472-V495 HydrophobicContact CG2-CB 4.38Å; V472-V495 HydrophobicContact CG2-CG2 3.55Å |
| 473 | P | 92.4 | Very high | 84.9 | Confident | 22 Ų | 22 | 56.3 Ų | 56.3 | 14% | 0.143 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 115 | 171.8 | 31 | -34.2 | 0 | 0 | 0 | 110.3 | F444 F471 R475 D476 Y477 | F444-P473 HydrophobicContact CD2-CB 4.11Å; F444-P473 HydrophobicContact CE2-CB 4.31Å; F471-P473 HydrophobicContact CE1-CB 4.33Å; F471-P473 HydrophobicContact CE1-CG 4.33Å; F471-P473 HydrophobicContact CZ-CB 4.01Å; F471-P473 HydrophobicContact CZ-CG 4.48Å; P473-R475 HydrophobicContact CB-CG 4.37Å; P473-R475 PolarHBondContact O-N 3.22Å; P473-R475 VanDerWaalsContact O-N 3.13Å; P473-D476 HydrophobicContact CG-CB 4.49Å; P473-D476 WeakPolarHBondContact CG-OD2 3.48Å; P473-D476 PolarHBondContact O-N 3.01Å; P473-Y477 WeakPolarHBondContact O-CE2 3.33Å |
| 474 | F | 89.9 | Confident | 83.9 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -59.4 | -30.2 | -177.3 | -175.7 | -117.9 | 0 | 0 | 0 | 113.2 | A307 M310 V437 G438 V439 V472 D476 Y477 I478 L491 | A307-F474 HydrophobicContact CB-CD1 4Å; A307-F474 HydrophobicContact CB-CE1 4.09Å; M310-F474 HydrophobicContact CB-CE1 4.26Å; M310-F474 HydrophobicContact CB-CE2 4.44Å; M310-F474 HydrophobicContact CB-CZ 3.68Å; M310-F474 HydrophobicContact CE-CE1 3.81Å; M310-F474 HydrophobicContact CE-CZ 4.06Å; M310-F474 HydrophobicContact SD-CZ 4.19Å; V437-F474 HydrophobicContact CG1-CB 3.93Å; G438-F474 VanDerWaalsContact O-CB 3.3Å; G438-F474 WeakPolarHBondContact O-CB 3.3Å; G438-F474 PolarHBondContact O-N 2.84Å; V439-F474 HydrophobicContact CG1-CB 4.06Å; V439-F474 HydrophobicContact CG1-CD1 4.34Å; V439-F474 HydrophobicContact CG1-CG 4.43Å; V472-F474 PolarHBondContact O-N 3.22Å; F474-D476 PolarHBondContact O-N 2.8Å; F474-D476 VanDerWaalsContact O-N 3.14Å; F474-Y477 PolarHBondContact O-N 3.18Å; F474-Y477 VanDerWaalsContact O-N 3.12Å; F474-I478 HydrophobicContact CD1-CD1 3.78Å; F474-I478 HydrophobicContact CD1-CG1 4Å; F474-I478 HydrophobicContact CE1-CD1 3.71Å; F474-I478 HydrophobicContact CE1-CG1 3.73Å; F474-I478 HydrophobicContact CZ-CG1 4.23Å; F474-L491 HydrophobicContact CD2-CB 4.29Å; F474-L491 HydrophobicContact CD2-CD1 3.91Å; F474-L491 HydrophobicContact CD2-CD2 3.35Å; F474-L491 HydrophobicContact CD2-CG 4Å; F474-L491 HydrophobicContact CE2-CB 4.34Å; F474-L491 HydrophobicContact CE2-CD2 3.55Å; F474-L491 HydrophobicContact CE2-CG 4.37Å |
| 475 | R | 86.9 | Confident | 82.9 | Confident | 94 Ų | 94 | 56.2 Ų | 56.2 | 36% | 0.355 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -58.9 | -25.5 | -178.7 | 70.8 | -173.2 | 176.2 | -167.3 | -1.2 | 113.7 | P441 A442 E443 P473 Y477 | P441-R475 PolarHBondContact O-NH1 3Å; A442-R475 PolarHBondContact O-NH1 3.44Å; E443-R475 IonicContact OE2-NH2 3.45Å; P473-R475 HydrophobicContact CB-CG 4.37Å; P473-R475 PolarHBondContact O-N 3.22Å; P473-R475 VanDerWaalsContact O-N 3.13Å; R475-Y477 PolarHBondContact O-N 3.06Å |
| 476 | D | 85.5 | Confident | 82.2 | Confident | 107 Ų | 107 | 52.5 Ų | 52.5 | 57% | 0.572 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -73.6 | -15.3 | -177.4 | -66.4 | 0.7 | 0 | 0 | 0 | 112.1 | P473 F474 | P473-D476 HydrophobicContact CG-CB 4.49Å; P473-D476 WeakPolarHBondContact CG-OD2 3.48Å; P473-D476 PolarHBondContact O-N 3.01Å; F474-D476 PolarHBondContact O-N 2.8Å; F474-D476 VanDerWaalsContact O-N 3.14Å |
| 477 | Y | 81.6 | Confident | 81.5 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 15% | 0.153 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -109.4 | -9.5 | -176.1 | -54.3 | -79.9 | 0 | 0 | 0 | 113.7 | V472 P473 F474 R475 D479 S487 R490 L491 D494 | V472-Y477 HydrophobicContact CG1-CD2 4.16Å; V472-Y477 HydrophobicContact CG1-CE2 3.26Å; P473-Y477 WeakPolarHBondContact O-CE2 3.33Å; F474-Y477 PolarHBondContact O-N 3.18Å; F474-Y477 VanDerWaalsContact O-N 3.12Å; R475-Y477 PolarHBondContact O-N 3.06Å; Y477-D479 PolarHBondContact O-N 3.23Å; Y477-D479 VanDerWaalsContact O-N 3.07Å; Y477-S487 VanDerWaalsContact O-CA 3.32Å; Y477-S487 WeakPolarHBondContact O-CA 3.23Å; Y477-S487 WeakPolarHBondContact O-CB 3.42Å; Y477-S487 PolarHBondContact O-OG 2.9Å; Y477-S487 VanDerWaalsContact O-OG 3.05Å; Y477-R490 HydrophobicContact CD1-CB 3.63Å; Y477-R490 HydrophobicContact CE1-CB 4.32Å; Y477-R490 HydrophobicContact CG-CB 4.48Å; Y477-L491 HydrophobicContact CD2-CB 4.4Å; Y477-L491 HydrophobicContact CD2-CD1 4.03Å; Y477-L491 HydrophobicContact CE2-CD1 4.32Å; Y477-L491 HydrophobicContact CG-CB 4.32Å; Y477-D494 WeakPolarHBondContact CE1-OD2 3.28Å; Y477-D494 PolarHBondContact OH-OD2 3Å |
| 478 | I | 73.4 | Confident | 80.9 | Confident | 82 Ų | 82 | 52.2 Ų | 52.2 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | trans | -71 | 105.9 | 178.8 | -59.4 | 177.5 | 0 | 0 | 0 | 108.8 | F474 R480 | F474-I478 HydrophobicContact CD1-CD1 3.78Å; F474-I478 HydrophobicContact CD1-CG1 4Å; F474-I478 HydrophobicContact CE1-CD1 3.71Å; F474-I478 HydrophobicContact CE1-CG1 3.73Å; F474-I478 HydrophobicContact CZ-CG1 4.23Å; I478-R480 PolarHBondContact O-N 2.88Å | ||
| 479 | D | 67.4 | Low | 80.2 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 31% | 0.31 | 27% | 0.27 | S | S | . | . | trans | -70.4 | 130.9 | 175.9 | -170 | -4.2 | 0 | 0 | 0 | 111.2 | Y477 S481 G482 S487 | Y477-D479 PolarHBondContact O-N 3.23Å; Y477-D479 VanDerWaalsContact O-N 3.07Å; D479-S481 PolarHBondContact O-N 2.79Å; D479-S481 PolarHBondContact OD1-N 3.43Å; D479-S481 PolarHBondContact OD1-OG 2.74Å; D479-S481 WeakPolarHBondContact OD2-CB 3.44Å; D479-S481 PolarHBondContact OD2-OG 2.64Å; D479-G482 PolarHBondContact O-N 3.43Å; D479-G482 VanDerWaalsContact O-N 3.13Å; D479-S487 PolarHBondContact N-OG 3.25Å | ||
| 480 | R | 60.1 | Low | 79.7 | Confident | 257 Ų | 257 | 58.9 Ų | 58.9 | 97% | 0.97 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.6 | 173.5 | -63.1 | -177.1 | -177.8 | 179.9 | 1.2 | 112.6 | I478 G482 | I478-R480 PolarHBondContact O-N 2.88Å; R480-G482 VanDerWaalsContact C-N 3.29Å |
| 481 | S | 62.6 | Low | 79.3 | Confident | 83 Ų | 83 | 58 Ų | 58 | 58% | 0.58 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.7 | 175.3 | 83 | 0 | 0 | 0 | 0 | 114.1 | D479 | D479-S481 PolarHBondContact O-N 2.79Å; D479-S481 PolarHBondContact OD1-N 3.43Å; D479-S481 PolarHBondContact OD1-OG 2.74Å; D479-S481 WeakPolarHBondContact OD2-CB 3.44Å; D479-S481 PolarHBondContact OD2-OG 2.64Å |
| 482 | G | 63.1 | Low | 79 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 42% | 0.423 | 29% | 0.285 | S | S | . | . | trans | 81.2 | 9.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D479 R480 H484 | D479-G482 PolarHBondContact O-N 3.43Å; D479-G482 VanDerWaalsContact O-N 3.13Å; R480-G482 VanDerWaalsContact C-N 3.29Å; G482-H484 VanDerWaalsContact C-N 3.34Å; G482-H484 PolarHBondContact O-CD2 3.47Å; G482-H484 VanDerWaalsContact O-CD2 3.27Å; G482-H484 PolarHBondContact O-N 3.29Å | ||
| 483 | N | 72.2 | Confident | 78.7 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 33% | 0.326 | 30% | 0.299 | S | S | . | . | trans | -79 | 82.4 | 173 | -168.2 | -9.6 | 0 | 0 | 0 | 111.4 | I485 L486 S487 | N483-I485 PolarHBondContact O-N 2.86Å; N483-I485 PolarHBondContact OD1-N 2.87Å; N483-L486 PolarHBondContact O-N 3.44Å; N483-L486 PolarHBondContact OD1-N 3.43Å; N483-S487 PolarHBondContact O-N 3.05Å; N483-S487 PolarHBondContact O-OG 2.84Å | ||
| 484 | H | 74.3 | Confident | 78.5 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 31% | 0.306 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -29.6 | -179.9 | -60.4 | -69.1 | 0 | 0 | 0 | 113.4 | M310 G482 S487 M488 | M310-H484 HydrophobicContact SD-CB 4.35Å; G482-H484 VanDerWaalsContact C-N 3.34Å; G482-H484 PolarHBondContact O-CD2 3.47Å; G482-H484 VanDerWaalsContact O-CD2 3.27Å; G482-H484 PolarHBondContact O-N 3.29Å; H484-S487 WeakPolarHBondContact O-CB 3.11Å; H484-S487 PolarHBondContact O-N 3.41Å; H484-M488 WeakPolarHBondContact O-CB 3.28Å; H484-M488 VanDerWaalsContact O-CG 3.25Å; H484-M488 WeakPolarHBondContact O-CG 3.47Å; H484-M488 PolarHBondContact O-N 2.88Å |
| 485 | I | 76.4 | Confident | 78.3 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 41% | 0.405 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -46.2 | -178.1 | -56 | 176 | 0 | 0 | 0 | 110.4 | N483 S487 M488 A489 | N483-I485 PolarHBondContact O-N 2.86Å; N483-I485 PolarHBondContact OD1-N 2.87Å; I485-S487 VanDerWaalsContact C-N 3.32Å; I485-M488 PolarHBondContact O-N 2.82Å; I485-A489 WeakPolarHBondContact O-CB 3.39Å; I485-A489 PolarHBondContact O-N 3.37Å |
| 486 | L | 79 | Confident | 78.4 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.3 | -36.8 | 178 | -173 | 64.7 | 0 | 0 | 0 | 111.5 | M23 N483 A489 R490 | M23-L486 HydrophobicContact SD-CD1 4.46Å; N483-L486 PolarHBondContact O-N 3.44Å; N483-L486 PolarHBondContact OD1-N 3.43Å; L486-A489 PolarHBondContact O-N 2.88Å; L486-R490 WeakPolarHBondContact O-CG 3.27Å; L486-R490 PolarHBondContact O-N 2.95Å |
| 487 | S | 80.1 | Confident | 78.5 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 176.3 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | Y477 D479 N483 H484 I485 A489 R490 L491 | Y477-S487 VanDerWaalsContact O-CA 3.32Å; Y477-S487 WeakPolarHBondContact O-CA 3.23Å; Y477-S487 WeakPolarHBondContact O-CB 3.42Å; Y477-S487 PolarHBondContact O-OG 2.9Å; Y477-S487 VanDerWaalsContact O-OG 3.05Å; D479-S487 PolarHBondContact N-OG 3.25Å; N483-S487 PolarHBondContact O-N 3.05Å; N483-S487 PolarHBondContact O-OG 2.84Å; H484-S487 WeakPolarHBondContact O-CB 3.11Å; H484-S487 PolarHBondContact O-N 3.41Å; I485-S487 VanDerWaalsContact C-N 3.32Å; S487-A489 VanDerWaalsContact C-N 3.35Å; S487-A489 PolarHBondContact O-N 3.29Å; S487-R490 PolarHBondContact O-N 2.95Å; S487-L491 PolarHBondContact O-N 3.26Å |
| 488 | M | 82.6 | Confident | 78.8 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 176.1 | -72.5 | 172.7 | 63.9 | 0 | 0 | 112.3 | M310 K313 A314 H484 I485 L491 A492 | M310-M488 HydrophobicContact CB-CG 4.41Å; K313-M488 HydrophobicContact CB-CE 3.66Å; K313-M488 HydrophobicContact CD-CE 4.11Å; K313-M488 HydrophobicContact CG-CE 3.68Å; A314-M488 HydrophobicContact CB-CB 3.79Å; A314-M488 HydrophobicContact CB-CE 4.1Å; A314-M488 HydrophobicContact CB-CG 4.09Å; H484-M488 WeakPolarHBondContact O-CB 3.28Å; H484-M488 VanDerWaalsContact O-CG 3.25Å; H484-M488 WeakPolarHBondContact O-CG 3.47Å; H484-M488 PolarHBondContact O-N 2.88Å; I485-M488 PolarHBondContact O-N 2.82Å; M488-L491 PolarHBondContact O-N 3.09Å; M488-A492 WeakPolarHBondContact O-CB 3.37Å; M488-A492 PolarHBondContact O-N 3.33Å |
| 489 | A | 82.3 | Confident | 79.8 | Confident | 21 Ų | 21 | 52 Ų | 52 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M23 I485 L486 S487 K493 | M23-A489 VanDerWaalsContact CE-C 3.5Å; M23-A489 HydrophobicContact CE-CB 3.56Å; M23-A489 WeakPolarHBondContact CE-O 3.41Å; M23-A489 HydrophobicContact CG-CB 3.5Å; M23-A489 VanDerWaalsContact CG-CB 3.5Å; M23-A489 HydrophobicContact SD-CB 3.64Å; I485-A489 WeakPolarHBondContact O-CB 3.39Å; I485-A489 PolarHBondContact O-N 3.37Å; L486-A489 PolarHBondContact O-N 2.88Å; S487-A489 VanDerWaalsContact C-N 3.35Å; S487-A489 PolarHBondContact O-N 3.29Å; A489-K493 PolarHBondContact O-N 3.42Å; A489-K493 VanDerWaalsContact O-N 3.09Å |
| 490 | R | 84.8 | Confident | 81.1 | Confident | 120 Ų | 120 | 50.2 Ų | 50.2 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69 | -41.7 | 174.4 | -67.5 | 174.8 | 179.2 | 172.1 | -1 | 112.7 | Y477 L486 S487 A492 K493 D494 | Y477-R490 HydrophobicContact CD1-CB 3.63Å; Y477-R490 HydrophobicContact CE1-CB 4.32Å; Y477-R490 HydrophobicContact CG-CB 4.48Å; L486-R490 WeakPolarHBondContact O-CG 3.27Å; L486-R490 PolarHBondContact O-N 2.95Å; S487-R490 PolarHBondContact O-N 2.95Å; R490-A492 VanDerWaalsContact C-N 3.33Å; R490-A492 PolarHBondContact O-N 2.99Å; R490-K493 WeakPolarHBondContact O-CB 3.29Å; R490-K493 PolarHBondContact O-N 2.95Å; R490-D494 PolarHBondContact O-N 3.19Å |
| 491 | L | 86.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.1 | -52.1 | 173 | 173.5 | 70 | 0 | 0 | 0 | 110.4 | A311 A314 V437 V472 F474 Y477 S487 M488 K493 D494 V495 | A311-L491 HydrophobicContact CB-CD2 4.06Å; A314-L491 HydrophobicContact CB-CD2 3.85Å; V437-L491 HydrophobicContact CG1-CD1 4.31Å; V437-L491 HydrophobicContact CG1-CD2 4.47Å; V472-L491 HydrophobicContact CB-CD1 4.31Å; V472-L491 HydrophobicContact CG1-CD1 3.65Å; F474-L491 HydrophobicContact CD2-CB 4.29Å; F474-L491 HydrophobicContact CD2-CD1 3.91Å; F474-L491 HydrophobicContact CD2-CD2 3.35Å; F474-L491 HydrophobicContact CD2-CG 4Å; F474-L491 HydrophobicContact CE2-CB 4.34Å; F474-L491 HydrophobicContact CE2-CD2 3.55Å; F474-L491 HydrophobicContact CE2-CG 4.37Å; Y477-L491 HydrophobicContact CD2-CB 4.4Å; Y477-L491 HydrophobicContact CD2-CD1 4.03Å; Y477-L491 HydrophobicContact CE2-CD1 4.32Å; Y477-L491 HydrophobicContact CG-CB 4.32Å; S487-L491 PolarHBondContact O-N 3.26Å; M488-L491 PolarHBondContact O-N 3.09Å; L491-K493 PolarHBondContact O-N 2.94Å; L491-D494 PolarHBondContact O-N 3.17Å; L491-V495 HydrophobicContact CD1-CG2 3.67Å; L491-V495 HydrophobicContact CG-CG2 4.01Å; L491-V495 VanDerWaalsContact O-CB 3.27Å; L491-V495 WeakPolarHBondContact O-CB 3.47Å; L491-V495 WeakPolarHBondContact O-CG2 3.44Å; L491-V495 PolarHBondContact O-N 3.4Å |
| 492 | A | 86.9 | Confident | 84.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.8 | -36.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A314 I318 M488 R490 L496 | A314-A492 HydrophobicContact CB-CB 4.4Å; A314-A492 WeakPolarHBondContact O-CB 3.39Å; I318-A492 HydrophobicContact CD1-CB 3.5Å; M488-A492 WeakPolarHBondContact O-CB 3.37Å; M488-A492 PolarHBondContact O-N 3.33Å; R490-A492 VanDerWaalsContact C-N 3.33Å; R490-A492 PolarHBondContact O-N 2.99Å; A492-L496 VanDerWaalsContact O-CB 3.27Å; A492-L496 WeakPolarHBondContact O-CB 3.28Å; A492-L496 WeakPolarHBondContact O-CG 3.3Å; A492-L496 PolarHBondContact O-N 3.28Å |
| 493 | K | 86.3 | Confident | 85.7 | Confident | 72 Ų | 72 | 37.9 Ų | 37.9 | 31% | 0.313 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -54.5 | -55.9 | 174.3 | -170.9 | 176 | -172.1 | 123.9 | 0 | 111.6 | M23 E56 E57 A489 R490 L491 A497 | M23-K493 HydrophobicContact CE-CB 4.4Å; E56-K493 WeakPolarHBondContact CB-O 3.38Å; E56-K493 HydrophobicContact CG-CB 4.15Å; E56-K493 HydrophobicContact CG-CG 3.59Å; E57-K493 IonicContact OE1-NZ 2.78Å; E57-K493 PolarHBondContact OE1-NZ 3.39Å; A489-K493 PolarHBondContact O-N 3.42Å; A489-K493 VanDerWaalsContact O-N 3.09Å; R490-K493 WeakPolarHBondContact O-CB 3.29Å; R490-K493 PolarHBondContact O-N 2.95Å; L491-K493 PolarHBondContact O-N 2.94Å; K493-A497 WeakPolarHBondContact O-CB 3.39Å; K493-A497 PolarHBondContact O-N 2.8Å; K493-A497 VanDerWaalsContact O-N 3.12Å |
| 494 | D | 86.2 | Confident | 86.8 | Confident | 64 Ų | 64 | 36.1 Ų | 36.1 | 34% | 0.342 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -76.5 | -29.2 | -174.1 | -65.8 | -7.6 | 0 | 0 | 0 | 112 | Q470 Y477 R490 L491 | Q470-D494 PolarHBondContact NE2-O 3.29Å; Y477-D494 WeakPolarHBondContact CE1-OD2 3.28Å; Y477-D494 PolarHBondContact OH-OD2 3Å; R490-D494 PolarHBondContact O-N 3.19Å; L491-D494 PolarHBondContact O-N 3.17Å |
| 495 | V | 86.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.8 | -39.1 | 176.2 | 163.4 | 0 | 0 | 0 | 0 | 112.8 | V315 I435 V437 V472 L491 | V315-V495 HydrophobicContact CG1-CG1 4.12Å; V315-V495 HydrophobicContact CG2-CB 4.29Å; V315-V495 HydrophobicContact CG2-CG1 3.65Å; V315-V495 HydrophobicContact CG2-CG2 4.48Å; I435-V495 HydrophobicContact CB-CG1 4.34Å; I435-V495 HydrophobicContact CD1-CG1 3.81Å; I435-V495 HydrophobicContact CG1-CG1 4.2Å; I435-V495 HydrophobicContact CG2-CB 4.48Å; I435-V495 HydrophobicContact CG2-CG1 3.29Å; V437-V495 HydrophobicContact CG2-CG2 4Å; V472-V495 HydrophobicContact CB-CG2 3.65Å; V472-V495 HydrophobicContact CG1-CG2 4.08Å; V472-V495 HydrophobicContact CG2-CB 4.38Å; V472-V495 HydrophobicContact CG2-CG2 3.55Å; L491-V495 HydrophobicContact CD1-CG2 3.67Å; L491-V495 HydrophobicContact CG-CG2 4.01Å; L491-V495 VanDerWaalsContact O-CB 3.27Å; L491-V495 WeakPolarHBondContact O-CB 3.47Å; L491-V495 WeakPolarHBondContact O-CG2 3.44Å; L491-V495 PolarHBondContact O-N 3.4Å |
| 496 | L | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -97.3 | -10.4 | -172.7 | -68.3 | 174 | 0 | 0 | 0 | 113.4 | F55 E56 V315 I318 I319 I435 A492 E498 I499 P500 | F55-L496 HydrophobicContact CD1-CB 4.14Å; F55-L496 WeakPolarHBondContact CD1-O 3.34Å; F55-L496 HydrophobicContact CE1-CB 3.83Å; F55-L496 HydrophobicContact CE1-CD2 4.19Å; F55-L496 HydrophobicContact CE1-CG 4.46Å; F55-L496 WeakPolarHBondContact CE1-O 3.5Å; E56-L496 HydrophobicContact CB-CB 3.74Å; V315-L496 HydrophobicContact CG1-CD2 4.05Å; V315-L496 HydrophobicContact CG1-CG 4.46Å; I318-L496 HydrophobicContact CB-CD1 3.66Å; I318-L496 HydrophobicContact CD1-CD1 4.07Å; I318-L496 HydrophobicContact CG1-CD1 4.37Å; I318-L496 HydrophobicContact CG2-CD1 3.6Å; I319-L496 HydrophobicContact CD1-CD2 4.31Å; I435-L496 HydrophobicContact CD1-CD2 3.95Å; A492-L496 VanDerWaalsContact O-CB 3.27Å; A492-L496 WeakPolarHBondContact O-CB 3.28Å; A492-L496 WeakPolarHBondContact O-CG 3.3Å; A492-L496 PolarHBondContact O-N 3.28Å; L496-E498 PolarHBondContact O-N 3.28Å; L496-I499 HydrophobicContact CD2-CG1 4.3Å; L496-I499 PolarHBondContact O-N 3Å; L496-P500 WeakPolarHBondContact O-CD 3.08Å |
| 497 | A | 85.8 | Confident | 89.5 | Confident | 49 Ų | 49 | 29.7 Ų | 29.7 | 41% | 0.405 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -37.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K493 | K493-A497 WeakPolarHBondContact O-CB 3.39Å; K493-A497 PolarHBondContact O-N 2.8Å; K493-A497 VanDerWaalsContact O-N 3.12Å |
| 498 | E | 89.8 | Confident | 90 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -19.1 | -174.2 | -59.4 | -143.9 | 156.6 | 0 | 0 | 114.9 | Q470 L496 D501 Q502 | Q470-E498 VanDerWaalsContact OE1-CG 3.32Å; Q470-E498 PolarHBondContact OE1-OE1 3.08Å; Q470-E498 PolarHBondContact OE1-OE2 3.18Å; L496-E498 PolarHBondContact O-N 3.28Å; E498-D501 PolarHBondContact O-N 2.89Å; E498-D501 VanDerWaalsContact O-N 3.07Å; E498-Q502 HydrophobicContact CB-CG 4.3Å; E498-Q502 WeakPolarHBondContact O-CG 3.43Å; E498-Q502 PolarHBondContact O-N 3.24Å; E498-Q502 PolarHBondContact OE2-NE2 2.95Å |
| 499 | I | 93.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.3 | -44.3 | -171.6 | -62.1 | -63.5 | 0 | 0 | 0 | 112.2 | F55 V405 I435 L496 D501 Q502 F503 | F55-I499 HydrophobicContact CE1-CB 3.83Å; F55-I499 HydrophobicContact CE1-CG1 4.48Å; F55-I499 HydrophobicContact CE1-CG2 4.1Å; F55-I499 HydrophobicContact CZ-CB 4.29Å; F55-I499 HydrophobicContact CZ-CG2 4.05Å; V405-I499 HydrophobicContact CG1-CD1 4.26Å; V405-I499 HydrophobicContact CG2-CD1 4.48Å; V405-I499 HydrophobicContact CG2-CG2 4.23Å; I435-I499 HydrophobicContact CD1-CD1 4Å; I435-I499 HydrophobicContact CD1-CG1 4.22Å; I435-I499 HydrophobicContact CG1-CD1 4.07Å; L496-I499 HydrophobicContact CD2-CG1 4.3Å; L496-I499 PolarHBondContact O-N 3Å; I499-D501 VanDerWaalsContact C-N 3.32Å; I499-D501 PolarHBondContact O-N 3.38Å; I499-Q502 PolarHBondContact O-N 3.45Å; I499-F503 WeakPolarHBondContact O-CB 3.43Å; I499-F503 PolarHBondContact O-N 3.32Å |
| 500 | P | 93.4 | Very high | 91 | Very high | 20 Ų | 20 | 45 Ų | 45 | 13% | 0.13 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.1 | -40.7 | 175.6 | -26.8 | 37.3 | 0 | 0 | 0 | 113.5 | F55 F266 L496 L504 | F55-P500 HydrophobicContact CB-CG 4.01Å; F55-P500 HydrophobicContact CD1-CG 3.57Å; F55-P500 HydrophobicContact CD2-CG 4.47Å; F55-P500 HydrophobicContact CE1-CG 4.17Å; F55-P500 HydrophobicContact CG-CG 3.75Å; F266-P500 HydrophobicContact CB-CB 4.01Å; F266-P500 HydrophobicContact CD2-CB 4.21Å; F266-P500 HydrophobicContact CG-CB 4Å; F266-P500 HydrophobicContact CG-CG 4.48Å; L496-P500 WeakPolarHBondContact O-CD 3.08Å; P500-L504 WeakPolarHBondContact O-CB 3.03Å; P500-L504 VanDerWaalsContact O-CG 3.24Å; P500-L504 WeakPolarHBondContact O-CG 3.12Å; P500-L504 PolarHBondContact O-N 3.37Å |
| 501 | D | 92.4 | Very high | 91.3 | Very high | 115 Ų | 115 | 42.3 Ų | 42.3 | 62% | 0.615 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -74.3 | -41.9 | -178.5 | -78.4 | -20.3 | 0 | 0 | 0 | 112 | E498 I499 F503 L504 S505 | E498-D501 PolarHBondContact O-N 2.89Å; E498-D501 VanDerWaalsContact O-N 3.07Å; I499-D501 VanDerWaalsContact C-N 3.32Å; I499-D501 PolarHBondContact O-N 3.38Å; D501-F503 VanDerWaalsContact C-N 3.3Å; D501-F503 PolarHBondContact O-N 3.46Å; D501-L504 PolarHBondContact O-N 3.43Å; D501-S505 WeakPolarHBondContact O-CB 3.46Å; D501-S505 PolarHBondContact O-N 3.03Å |
| 502 | Q | 95.5 | Very high | 91.7 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 3% | 0.033 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 173.3 | -66.8 | 179.9 | 5.5 | 0 | 0 | 111 | S433 E498 I499 S505 Y506 | S433-Q502 PolarHBondContact OG-OE1 3.42Å; E498-Q502 HydrophobicContact CB-CG 4.3Å; E498-Q502 WeakPolarHBondContact O-CG 3.43Å; E498-Q502 PolarHBondContact O-N 3.24Å; E498-Q502 PolarHBondContact OE2-NE2 2.95Å; I499-Q502 PolarHBondContact O-N 3.45Å; Q502-S505 WeakPolarHBondContact O-CB 3.47Å; Q502-S505 PolarHBondContact O-N 3.07Å; Q502-Y506 PolarHBondContact O-N 3Å; Q502-Y506 VanDerWaalsContact O-N 3.11Å |
| 503 | F | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -52 | 173.9 | 174.3 | -80.8 | 0 | 0 | 0 | 111.9 | F266 Y269 T274 I276 Y403 I499 D501 S505 Y506 M507 | F266-F503 HydrophobicContact CD2-CB 4.25Å; F266-F503 AromaticContact CD2-CD1 3.67Å; F266-F503 HydrophobicContact CD2-CD1 3.67Å; F266-F503 HydrophobicContact CD2-CD2 4.45Å; F266-F503 HydrophobicContact CD2-CE1 4.11Å; F266-F503 AromaticContact CD2-CG 3.88Å; F266-F503 HydrophobicContact CD2-CG 3.88Å; F266-F503 HydrophobicContact CE2-CB 4.38Å; F266-F503 HydrophobicContact CE2-CD1 4.19Å; F266-F503 HydrophobicContact CE2-CD2 4.16Å; F266-F503 AromaticContact CE2-CG 4Å; F266-F503 HydrophobicContact CE2-CG 4Å; Y269-F503 HydrophobicContact CD1-CE1 4.14Å; Y269-F503 HydrophobicContact CD1-CZ 4.1Å; Y269-F503 AromaticContact CD2-CE1 3.53Å; Y269-F503 HydrophobicContact CD2-CE1 3.53Å; Y269-F503 HydrophobicContact CD2-CZ 4.2Å; Y269-F503 HydrophobicContact CE2-CE1 4.13Å; Y269-F503 AromaticContact CG-CE1 3.52Å; Y269-F503 HydrophobicContact CG-CE1 3.52Å; Y269-F503 AromaticContact CG-CZ 3.7Å; Y269-F503 HydrophobicContact CG-CZ 3.7Å; T274-F503 HydrophobicContact CG2-CE2 3.69Å; T274-F503 HydrophobicContact CG2-CZ 3.77Å; I276-F503 HydrophobicContact CD1-CD2 4.01Å; I276-F503 HydrophobicContact CD1-CE2 3.91Å; Y403-F503 AromaticContact CD1-CD2 3.96Å; Y403-F503 HydrophobicContact CD1-CD2 3.96Å; Y403-F503 AromaticContact CD2-CD2 3.55Å; Y403-F503 HydrophobicContact CD2-CD2 3.55Å; Y403-F503 HydrophobicContact CD2-CE2 4.12Å; Y403-F503 HydrophobicContact CD2-CG 4.36Å; Y403-F503 HydrophobicContact CE1-CB 4.45Å; Y403-F503 HydrophobicContact CE1-CD2 4.46Å; Y403-F503 HydrophobicContact CE2-CB 4.29Å; Y403-F503 HydrophobicContact CE2-CD2 4.09Å; Y403-F503 AromaticContact CG-CD2 3.47Å; Y403-F503 HydrophobicContact CG-CD2 3.47Å; Y403-F503 VanDerWaalsContact CG-CD2 3.47Å; Y403-F503 AromaticContact CG-CE2 4Å; Y403-F503 HydrophobicContact CG-CE2 4Å; I499-F503 WeakPolarHBondContact O-CB 3.43Å; I499-F503 PolarHBondContact O-N 3.32Å; D501-F503 VanDerWaalsContact C-N 3.3Å; D501-F503 PolarHBondContact O-N 3.46Å; F503-S505 VanDerWaalsContact C-N 3.29Å; F503-S505 PolarHBondContact O-N 3.34Å; F503-Y506 WeakPolarHBondContact O-CB 3.35Å; F503-Y506 PolarHBondContact O-N 2.92Å; F503-M507 HydrophobicContact CD1-CG 4.11Å; F503-M507 HydrophobicContact CD2-CE 4.25Å; F503-M507 HydrophobicContact CE1-CE 3.94Å; F503-M507 HydrophobicContact CE1-CG 3.68Å; F503-M507 HydrophobicContact CE2-CE 3.42Å; F503-M507 VanDerWaalsContact CE2-CE 3.42Å; F503-M507 HydrophobicContact CZ-CE 3.22Å; F503-M507 HydrophobicContact CZ-CG 3.98Å; F503-M507 HydrophobicContact CZ-SD 4.46Å; F503-M507 WeakPolarHBondContact O-CG 3.48Å; F503-M507 PolarHBondContact O-N 2.8Å |
| 504 | L | 94.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 50 Ų | 50 | 13% | 0.131 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -35.2 | -178.9 | -73.8 | 173.6 | 0 | 0 | 0 | 111.7 | F266 Y269 P500 D501 M507 R508 | F266-L504 HydrophobicContact CB-CD1 4.45Å; Y269-L504 HydrophobicContact CD2-CD2 4.11Å; Y269-L504 HydrophobicContact CE2-CD2 3.73Å; P500-L504 WeakPolarHBondContact O-CB 3.03Å; P500-L504 VanDerWaalsContact O-CG 3.24Å; P500-L504 WeakPolarHBondContact O-CG 3.12Å; P500-L504 PolarHBondContact O-N 3.37Å; D501-L504 PolarHBondContact O-N 3.43Å; L504-M507 PolarHBondContact O-N 2.98Å; L504-R508 WeakPolarHBondContact O-CB 3.36Å; L504-R508 PolarHBondContact O-N 2.7Å |
| 505 | S | 94 | Very high | 92.1 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59 | -45 | 173.4 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | R466 D501 Q502 F503 T509 | R466-S505 WeakPolarHBondContact CD-OG 3.04Å; D501-S505 WeakPolarHBondContact O-CB 3.46Å; D501-S505 PolarHBondContact O-N 3.03Å; Q502-S505 WeakPolarHBondContact O-CB 3.47Å; Q502-S505 PolarHBondContact O-N 3.07Å; F503-S505 VanDerWaalsContact C-N 3.29Å; F503-S505 PolarHBondContact O-N 3.34Å; S505-T509 VanDerWaalsContact O-CB 3.32Å; S505-T509 WeakPolarHBondContact O-CB 3.49Å; S505-T509 PolarHBondContact O-N 3.19Å; S505-T509 PolarHBondContact O-OG1 2.77Å |
| 506 | Y | 96.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -54.6 | 173.2 | 171.4 | -105.5 | 0 | 0 | 0 | 112 | Y403 P431 R466 Q502 F503 R508 T509 R510 I512 | Y403-Y506 HydrophobicContact CD2-CD1 4.27Å; Y403-Y506 HydrophobicContact CE2-CD1 4.25Å; Y403-Y506 HydrophobicContact CE2-CG 4.3Å; P431-Y506 HydrophobicContact CB-CD1 3.98Å; P431-Y506 HydrophobicContact CB-CE1 3.49Å; P431-Y506 VanDerWaalsContact CB-CE1 3.49Å; P431-Y506 HydrophobicContact CB-CE2 4.16Å; P431-Y506 HydrophobicContact CG-CE1 4.42Å; R466-Y506 VanDerWaalsContact NH2-CD2 3.28Å; Q502-Y506 PolarHBondContact O-N 3Å; Q502-Y506 VanDerWaalsContact O-N 3.11Å; F503-Y506 WeakPolarHBondContact O-CB 3.35Å; F503-Y506 PolarHBondContact O-N 2.92Å; Y506-R508 VanDerWaalsContact C-N 3.3Å; Y506-R508 PolarHBondContact O-N 3.17Å; Y506-T509 PolarHBondContact O-N 3.39Å; Y506-R510 HydrophobicContact CD2-CG 3.99Å; Y506-R510 HydrophobicContact CE2-CG 3.62Å; Y506-R510 WeakPolarHBondContact O-CG 3.17Å; Y506-R510 PolarHBondContact O-N 3.03Å; Y506-R510 VanDerWaalsContact O-N 3.07Å; Y506-I512 HydrophobicContact CE1-CD1 3.76Å |
| 507 | M | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.3 | -43.7 | -175.2 | -64.8 | -57.6 | -175.6 | 0 | 0 | 111.4 | Y269 T274 F503 L504 R510 G511 I512 | Y269-M507 HydrophobicContact CD1-CE 4.26Å; Y269-M507 HydrophobicContact CD1-CG 4.15Å; Y269-M507 HydrophobicContact CD1-SD 4.35Å; Y269-M507 HydrophobicContact CE1-CB 3.93Å; Y269-M507 HydrophobicContact CE1-CG 3.69Å; Y269-M507 HydrophobicContact CE1-SD 4.02Å; Y269-M507 HydrophobicContact CE2-CB 4.27Å; Y269-M507 HydrophobicContact CE2-CG 4.28Å; Y269-M507 WeakPolarHBondContact OH-CB 3.29Å; T274-M507 HydrophobicContact CG2-CE 4.17Å; F503-M507 HydrophobicContact CD1-CG 4.11Å; F503-M507 HydrophobicContact CD2-CE 4.25Å; F503-M507 HydrophobicContact CE1-CE 3.94Å; F503-M507 HydrophobicContact CE1-CG 3.68Å; F503-M507 HydrophobicContact CE2-CE 3.42Å; F503-M507 VanDerWaalsContact CE2-CE 3.42Å; F503-M507 HydrophobicContact CZ-CE 3.22Å; F503-M507 HydrophobicContact CZ-CG 3.98Å; F503-M507 HydrophobicContact CZ-SD 4.46Å; F503-M507 WeakPolarHBondContact O-CG 3.48Å; F503-M507 PolarHBondContact O-N 2.8Å; L504-M507 PolarHBondContact O-N 2.98Å; M507-R510 CarbonylContact O-C 3.59Å; M507-R510 PolarHBondContact O-N 2.93Å; M507-G511 PolarHBondContact O-N 3.45Å; M507-I512 HydrophobicContact CB-CB 4.37Å; M507-I512 PolarHBondContact O-N 3.05Å; M507-I512 HydrophobicContact SD-CB 3.89Å; M507-I512 HydrophobicContact SD-CD1 3.75Å; M507-I512 HydrophobicContact SD-CG1 4.43Å; M507-I512 HydrophobicContact SD-CG2 3.74Å |
| 508 | R | 91.3 | Very high | 89.2 | Confident | 182 Ų | 182 | 59.5 Ų | 59.5 | 69% | 0.687 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.3 | -46.9 | 178.1 | -171.4 | -173.7 | -59 | 156.7 | 3.1 | 112 | L504 Y506 R510 G511 | L504-R508 WeakPolarHBondContact O-CB 3.36Å; L504-R508 PolarHBondContact O-N 2.7Å; Y506-R508 VanDerWaalsContact C-N 3.3Å; Y506-R508 PolarHBondContact O-N 3.17Å; R508-R510 PolarHBondContact O-N 3.27Å; R508-G511 PolarHBondContact O-N 3.26Å |
| 509 | T | 90.6 | Very high | 87.5 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.2 | -27.6 | -179.2 | -56.6 | 0 | 0 | 0 | 0 | 112 | S505 Y506 | S505-T509 VanDerWaalsContact O-CB 3.32Å; S505-T509 WeakPolarHBondContact O-CB 3.49Å; S505-T509 PolarHBondContact O-N 3.19Å; S505-T509 PolarHBondContact O-OG1 2.77Å; Y506-T509 PolarHBondContact O-N 3.39Å |
| 510 | R | 94 | Very high | 85.6 | Confident | 110 Ų | 110 | 68.3 Ų | 68.3 | 42% | 0.415 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1.9 | 176.1 | -62 | -59.3 | -177.5 | -152.7 | -9.5 | 114.1 | C429 E465 Y506 M507 R508 I512 | C429-R510 PolarHBondContact O-NH2 3.05Å; E465-R510 IonicContact OE2-CZ 3.61Å; E465-R510 IonicContact OE2-NH2 2.82Å; E465-R510 PolarHBondContact OE2-NH2 3.01Å; E465-R510 VanDerWaalsContact OE2-NH2 3.11Å; Y506-R510 HydrophobicContact CD2-CG 3.99Å; Y506-R510 HydrophobicContact CE2-CG 3.62Å; Y506-R510 WeakPolarHBondContact O-CG 3.17Å; Y506-R510 PolarHBondContact O-N 3.03Å; Y506-R510 VanDerWaalsContact O-N 3.07Å; M507-R510 CarbonylContact O-C 3.59Å; M507-R510 PolarHBondContact O-N 2.93Å; R508-R510 PolarHBondContact O-N 3.27Å; R510-I512 HydrophobicContact CB-CD1 3.66Å; R510-I512 HydrophobicContact CB-CG1 3.75Å; R510-I512 HydrophobicContact CG-CD1 4.37Å; R510-I512 PolarHBondContact O-N 2.87Å |
| 511 | G | 91.8 | Very high | 83.5 | Confident | 62 Ų | 62 | 74.7 Ų | 74.7 | 64% | 0.639 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 22.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M507 R508 | M507-G511 PolarHBondContact O-N 3.45Å; R508-G511 PolarHBondContact O-N 3.26Å |
| 512 | I | 93.9 | Very high | 80.9 | Confident | 24 Ų | 24 | 75 Ų | 75 | 12% | 0.123 | 42% | 0.424 | C | S | . | . | trans | -75.3 | 138 | 177.8 | -60.5 | 167.5 | 0 | 0 | 0 | 107.6 | Y269 D399 Y506 M507 R510 | Y269-I512 HydrophobicContact CE1-CG2 4.18Å; Y269-I512 PolarHBondContact OH-O 3.19Å; D399-I512 WeakPolarHBondContact O-CG2 3.43Å; Y506-I512 HydrophobicContact CE1-CD1 3.76Å; M507-I512 HydrophobicContact CB-CB 4.37Å; M507-I512 PolarHBondContact O-N 3.05Å; M507-I512 HydrophobicContact SD-CB 3.89Å; M507-I512 HydrophobicContact SD-CD1 3.75Å; M507-I512 HydrophobicContact SD-CG1 4.43Å; M507-I512 HydrophobicContact SD-CG2 3.74Å; R510-I512 HydrophobicContact CB-CD1 3.66Å; R510-I512 HydrophobicContact CB-CG1 3.75Å; R510-I512 HydrophobicContact CG-CD1 4.37Å; R510-I512 PolarHBondContact O-N 2.87Å | ||
| 513 | K | 91.6 | Very high | 78.4 | Confident | 174 Ų | 174 | 79.1 Ų | 79.1 | 76% | 0.757 | 45% | 0.451 | S | S | * | . | trans | -114.2 | 151.8 | 175.8 | -69.5 | -172.1 | 177.8 | -173.6 | 0 | 109.3 | ||||
| 514 | P | 89.6 | Confident | 75.7 | Confident | 37 Ų | 37 | 84 Ų | 84 | 24% | 0.24 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -64 | 140.4 | 176.9 | 28.9 | -35.5 | 0 | 0 | 0 | 109.3 | V264 D268 Y269 | V264-P514 HydrophobicContact CG1-CB 4.42Å; V264-P514 HydrophobicContact CG1-CG 3.68Å; V264-P514 HydrophobicContact CG2-CG 4.45Å; D268-P514 HydrophobicContact CB-CB 4.1Å; D268-P514 HydrophobicContact CB-CG 4.13Å; Y269-P514 HydrophobicContact CD1-CB 4.02Å; Y269-P514 HydrophobicContact CD2-CB 4.42Å; Y269-P514 HydrophobicContact CE1-CB 4.21Å; Y269-P514 HydrophobicContact CG-CB 4.12Å |
| 515 | S | 86 | Confident | 73 | Confident | 71 Ų | 71 | 86 Ų | 86 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 149 | 172.4 | -69.7 | 0 | 0 | 0 | 0 | 110.5 | G272 A517 | G272-S515 WeakPolarHBondContact CA-O 3.41Å; G272-S515 VanDerWaalsContact O-CB 3.32Å; G272-S515 WeakPolarHBondContact O-CB 3.37Å; S515-A517 PolarHBondContact O-N 3.49Å |
| 516 | P | 76.8 | Confident | 70.2 | Confident | 120 Ų | 120 | 92.8 Ų | 92.8 | 78% | 0.779 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 140.1 | 173.1 | -19.3 | 30.4 | 0 | 0 | 0 | 110.3 | ||
| 517 | A | 62.9 | Low | 67.3 | Low | 66 Ų | 66 | 98 Ų | 98 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 144.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S515 | S515-A517 PolarHBondContact O-N 3.49Š|
| 518 | P | 61.6 | Low | 64.4 | Low | 56 Ų | 56 | 104.1 Ų | 104.1 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 146.4 | 173.7 | -16.1 | 23.2 | 0 | 0 | 0 | 110.5 | L95 | L95-P518 HydrophobicContact CD1-CG 3.7Å; L95-P518 HydrophobicContact CD2-CG 4.11Å; L95-P518 HydrophobicContact CG-CG 3.74Å |
| 519 | P | 54.4 | Low | 61.7 | Low | 117 Ų | 117 | 104.2 Ų | 104.2 | 76% | 0.76 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 143.2 | 177.9 | 22 | -31.4 | 0 | 0 | 0 | 110.4 | Y521 | P519-Y521 PolarHBondContact O-N 2.87Š|
| 520 | P | 54.6 | Low | 59 | Low | 119 Ų | 119 | 105.9 Ų | 105.9 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 133.8 | 179.4 | 21.6 | -31.2 | 0 | 0 | 0 | 110.1 | T522 | P520-T522 PolarHBondContact O-N 3.39Š|
| 521 | Y | 48.9 | Very low | 56.4 | Low | 154 Ų | 154 | 109.8 Ų | 109.8 | 60% | 0.604 | 65% | 0.65 | S | S | * | * | trans | -57.2 | 113.3 | 177.4 | 175.1 | -99.2 | 0 | 0 | 0 | 110.4 | P519 P523 P524 | P519-Y521 PolarHBondContact O-N 2.87Å; Y521-P523 VanDerWaalsContact CE1-CA 3.48Å; Y521-P523 HydrophobicContact CE1-CB 3.99Å; Y521-P523 WeakPolarHBondContact O-CD 3.16Å; Y521-P524 WeakPolarHBondContact OH-CD 3.42Å | ||
| 522 | T | 39 | Very low | 53.8 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | trans | -79.7 | 115 | 165.8 | -21.2 | 0 | 0 | 0 | 0 | 107.2 | P520 | P520-T522 PolarHBondContact O-N 3.39Š| ||
| 523 | P | 42.5 | Very low | 51.8 | Low | 92 Ų | 92 | 122.5 Ų | 122.5 | 60% | 0.597 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 137.4 | 172.6 | 21.8 | -29.4 | 0 | 0 | 0 | 109.1 | Y521 G525 | Y521-P523 VanDerWaalsContact CE1-CA 3.48Å; Y521-P523 HydrophobicContact CE1-CB 3.99Å; Y521-P523 WeakPolarHBondContact O-CD 3.16Å; P523-G525 PolarHBondContact O-N 3.21Å |
| 524 | P | 40.1 | Very low | 49.7 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 117.1 | 174 | 20.4 | -28.7 | 0 | 0 | 0 | 107.8 | Y521 Q526 | Y521-P524 WeakPolarHBondContact OH-CD 3.42Å; P524-Q526 PolarHBondContact O-N 2.92Å |
| 525 | G | 36.3 | Very low | 47.4 | Very low | 67 Ų | 67 | 124.4 Ų | 124.4 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 131.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P523 | P523-G525 PolarHBondContact O-N 3.21Š|
| 526 | Q | 35.7 | Very low | 45.2 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 127.7 | 169.9 | -77.5 | -178.6 | -29.2 | 0 | 0 | 108 | P524 V528 | P524-Q526 PolarHBondContact O-N 2.92Å; Q526-V528 PolarHBondContact O-N 3.07Å |
| 527 | P | 35.3 | Very low | 43.2 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 118 | 172.2 | 23.7 | -30.6 | 0 | 0 | 0 | 107.3 | Q529 | P527-Q529 PolarHBondContact O-N 3.07Š|
| 528 | V | 34.7 | Very low | 41.9 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -58 | 106.8 | 170.3 | -179.6 | 0 | 0 | 0 | 0 | 105.8 | Q526 T530 | Q526-V528 PolarHBondContact O-N 3.07Å; V528-T530 PolarHBondContact O-N 3.17Å | ||
| 529 | Q | 35.3 | Very low | 40.5 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | -65 | 93.5 | 165.2 | -84.1 | -177.9 | -13.9 | 0 | 0 | 106.6 | P527 Q531 | P527-Q529 PolarHBondContact O-N 3.07Å; Q529-Q531 PolarHBondContact O-N 3.27Å | ||
| 530 | T | 34.7 | Very low | 39.4 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -60.1 | 106.8 | 158.2 | 35.7 | 0 | 0 | 0 | 0 | 106.9 | V528 I532 | V528-T530 PolarHBondContact O-N 3.17Å; T530-I532 PolarHBondContact O-N 3.3Å | ||
| 531 | Q | 38.3 | Very low | 38.1 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 90% | 0.897 | 78% | 0.78 | S | S | * | * | trans | -57.7 | 121.8 | 162.4 | -71.1 | -178.7 | -9.6 | 0 | 0 | 107.9 | Q529 | Q529-Q531 PolarHBondContact O-N 3.27Š| ||
| 532 | I | 36.9 | Very low | 37.2 | Very low | 231 Ų | 231 | 139.6 Ų | 139.6 | 100% | 1.185 | 80% | 0.796 | S | S | * | * | trans | -116.6 | 0 | 153.7 | -60.1 | -179.9 | 0 | 0 | 0 | 105.9 | T530 | T530-I532 PolarHBondContact O-N 3.3Š|
Retrieved 532 of 532 residues in 490.3 ms
(Link to these results)