| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 65.4 | Low | 93.6 | Very high | 203 Ų | 203 | 52.3 Ų | 52.3 | 100% | 1 | 27% | 0.268 | S | S | * | . | 0 | 143.5 | 0 | -70.9 | -174.5 | -79 | 0 | 0 | 107.3 | |||||
| 2 | P | 81.9 | Confident | 94 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 50% | 0.5 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -57.9 | 151.6 | 173.3 | 26.3 | -32.9 | 0 | 0 | 0 | 109.8 | ||
| 3 | E | 93.9 | Very high | 94.3 | Very high | 156 Ų | 156 | 45.7 Ų | 45.7 | 73% | 0.729 | 24% | 0.239 | S | C | * | . | P | Polyproline II helix | trans | -59.6 | 146.8 | 173 | -71.3 | -168.9 | 161.9 | 0 | 0 | 110.5 | I5 Q34 | E3-I5 PolarHBondContact O-N 3.4Å; E3-Q34 PolarHBondContact O-NE2 2.88Å |
| 4 | P | 97.7 | Very high | 94.4 | Very high | 37 Ų | 37 | 44.8 Ų | 44.8 | 24% | 0.24 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 133.2 | 173.7 | -24 | 33.5 | 0 | 0 | 0 | 111.8 | R6 E35 I37 K66 | P4-R6 PolarHBondContact O-N 2.96Å; P4-E35 CarbonylContact C-O 3.48Å; P4-E35 VanDerWaalsContact CA-O 3.27Å; P4-E35 WeakPolarHBondContact CA-O 3.34Å; P4-E35 HydrophobicContact CB-CB 3.99Å; P4-E35 HydrophobicContact CG-CB 3.99Å; P4-I37 HydrophobicContact CB-CD1 4.05Å; P4-I37 HydrophobicContact CB-CG1 3.94Å; P4-K66 HydrophobicContact CB-CG 4.43Å; P4-K66 HydrophobicContact CG-CG 4.09Å |
| 5 | I | 98.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 126.4 | 173.8 | -69.2 | 177.6 | 0 | 0 | 0 | 108.5 | E3 V7 F30 Q34 E35 V36 I37 D82 W258 | E3-I5 PolarHBondContact O-N 3.4Å; I5-V7 HydrophobicContact CG2-CG2 3.75Å; I5-F30 HydrophobicContact CD1-CB 3.98Å; I5-F30 HydrophobicContact CD1-CD1 3.71Å; I5-F30 HydrophobicContact CD1-CE1 4.35Å; I5-F30 HydrophobicContact CD1-CG 3.81Å; I5-F30 HydrophobicContact CG2-CE1 4.26Å; I5-F30 HydrophobicContact CG2-CE2 4.29Å; I5-F30 HydrophobicContact CG2-CZ 4.15Å; I5-Q34 HydrophobicContact CD1-CG 3.44Å; I5-Q34 VanDerWaalsContact CD1-CG 3.44Å; I5-Q34 HydrophobicContact CG1-CG 3.89Å; I5-E35 PolarHBondContact N-O 3.39Å; I5-V36 CarbonylContact O-C 3.56Å; I5-V36 VanDerWaalsContact O-CA 3.29Å; I5-V36 WeakPolarHBondContact O-CA 3.48Å; I5-I37 PolarHBondContact O-N 3.08Å; I5-D82 HydrophobicContact CG2-CB 3.69Å; I5-W258 HydrophobicContact CD1-CH2 4.45Å; I5-W258 HydrophobicContact CD1-CZ2 3.59Å; I5-W258 HydrophobicContact CG1-CZ2 4.29Å; I5-W258 HydrophobicContact CG2-CH2 4.46Å; I5-W258 HydrophobicContact CG2-CZ2 4.5Å |
| 6 | R | 98.8 | Very high | 94.7 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 30% | 0.302 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.7 | 174.3 | -72.3 | 169.7 | 179.9 | -89.4 | 3 | 110 | P4 I37 H39 Q80 I81 D82 A83 | P4-R6 PolarHBondContact O-N 2.96Å; R6-I37 WeakPolarHBondContact CA-O 3.5Å; R6-I37 HydrophobicContact CG-CB 4.11Å; R6-I37 HydrophobicContact CG-CD1 4.26Å; R6-I37 HydrophobicContact CG-CG2 4.47Å; R6-H39 PolarHBondContact NH1-NE2 2.88Å; R6-Q80 VanDerWaalsContact CD-O 3.22Å; R6-Q80 WeakPolarHBondContact CD-O 3.39Å; R6-I81 HydrophobicContact CB-CB 4.41Å; R6-I81 HydrophobicContact CB-CG2 4.3Å; R6-D82 PolarHBondContact N-OD2 2.64Å; R6-D82 PolarHBondContact O-N 3.47Å; R6-A83 PolarHBondContact O-N 3.41Å; R6-A83 VanDerWaalsContact O-N 3.14Å |
| 7 | V | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 112.7 | -173.5 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | I5 V24 F30 V36 I37 L38 H39 A83 L85 | I5-V7 HydrophobicContact CG2-CG2 3.75Å; V7-V24 HydrophobicContact CB-CG1 4.21Å; V7-V24 HydrophobicContact CG1-CG1 4.16Å; V7-V24 HydrophobicContact CG1-CG2 4.43Å; V7-V24 HydrophobicContact CG2-CG1 4.01Å; V7-F30 HydrophobicContact CG2-CD2 4.42Å; V7-F30 HydrophobicContact CG2-CE2 3.47Å; V7-F30 VanDerWaalsContact CG2-CE2 3.47Å; V7-F30 HydrophobicContact CG2-CZ 3.83Å; V7-V36 HydrophobicContact CG2-CG1 4.47Å; V7-I37 PolarHBondContact N-O 3.44Å; V7-L38 HydrophobicContact CB-CD2 4.2Å; V7-L38 HydrophobicContact CG1-CD2 4.36Å; V7-H39 PolarHBondContact O-N 3.24Å; V7-A83 WeakPolarHBondContact CA-O 3.33Å; V7-A83 HydrophobicContact CG1-CB 4.34Å; V7-A83 HydrophobicContact CG2-CB 4.46Å; V7-L85 HydrophobicContact CG1-CD1 3.75Å; V7-L85 HydrophobicContact CG1-CG 3.96Å |
| 8 | L | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 133.9 | 170 | 173.5 | 66.7 | 0 | 0 | 0 | 110.5 | T10 H39 F41 A77 F78 I81 A83 A84 L85 M86 | L8-T10 HydrophobicContact CD1-CG2 4.31Å; L8-T10 HydrophobicContact CD2-CG2 3.97Å; L8-T10 HydrophobicContact CG-CG2 4.04Å; L8-H39 HydrophobicContact CD1-CB 4.21Å; L8-F41 HydrophobicContact CD1-CB 3.68Å; L8-F41 HydrophobicContact CD1-CG 4.48Å; L8-A77 HydrophobicContact CD1-CB 3.91Å; L8-F78 HydrophobicContact CD1-CE2 4.48Å; L8-F78 HydrophobicContact CD2-CD1 3.61Å; L8-F78 HydrophobicContact CD2-CD2 3.98Å; L8-F78 HydrophobicContact CD2-CE1 3.39Å; L8-F78 HydrophobicContact CD2-CE2 3.8Å; L8-F78 HydrophobicContact CD2-CG 3.91Å; L8-F78 HydrophobicContact CD2-CZ 3.5Å; L8-I81 HydrophobicContact CB-CD1 3.52Å; L8-I81 HydrophobicContact CB-CG2 4.21Å; L8-I81 HydrophobicContact CD2-CD1 3.66Å; L8-I81 HydrophobicContact CG-CD1 4.23Å; L8-A83 PolarHBondContact N-O 2.91Å; L8-A84 HydrophobicContact CB-CB 4.34Å; L8-A84 HydrophobicContact CD2-CB 4.26Å; L8-L85 WeakPolarHBondContact O-CB 3.49Å; L8-L85 WeakPolarHBondContact O-CG 3.31Å; L8-L85 PolarHBondContact O-N 3.1Å; L8-M86 HydrophobicContact CD2-SD 4.19Å |
| 9 | L | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 109 | 168.4 | 176.8 | 55.5 | 0 | 0 | 0 | 109 | A12 L20 A21 H39 L40 F41 L85 V87 | L9-A12 HydrophobicContact CB-CB 4.42Å; L9-A12 HydrophobicContact CD2-CB 4.1Å; L9-A12 HydrophobicContact CG-CB 3.88Å; L9-L20 HydrophobicContact CD1-CD2 3.75Å; L9-L20 HydrophobicContact CD2-CB 4.45Å; L9-A21 HydrophobicContact CD2-CB 4.24Å; L9-H39 PolarHBondContact N-O 3.27Å; L9-L40 HydrophobicContact CB-CD2 4.4Å; L9-L40 HydrophobicContact CD2-CD2 4.19Å; L9-F41 PolarHBondContact O-N 3.31Å; L9-L85 HydrophobicContact CD1-CB 3.99Å; L9-V87 HydrophobicContact CD1-CB 4.36Å; L9-V87 HydrophobicContact CD1-CG2 3.78Å |
| 10 | T | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 152.5 | 174.7 | 74.2 | 0 | 0 | 0 | 0 | 110.9 | L8 A12 F41 F78 L85 M86 V87 G88 | L8-T10 HydrophobicContact CD1-CG2 4.31Å; L8-T10 HydrophobicContact CD2-CG2 3.97Å; L8-T10 HydrophobicContact CG-CG2 4.04Å; T10-A12 PolarHBondContact O-N 2.98Å; T10-F41 CarbonylContact C-O 3.55Å; T10-F41 VanDerWaalsContact CA-O 3.31Å; T10-F41 WeakPolarHBondContact CA-O 3.33Å; T10-F41 HydrophobicContact CG2-CD1 3.81Å; T10-F78 HydrophobicContact CG2-CZ 4.33Å; T10-L85 PolarHBondContact N-O 2.94Å; T10-L85 VanDerWaalsContact N-O 3.09Å; T10-M86 HydrophobicContact CG2-CE 3.79Å; T10-M86 HydrophobicContact CG2-SD 3.9Å; T10-M86 WeakPolarHBondContact OG1-CA 3.4Å; T10-V87 VanDerWaalsContact O-CB 3.32Å; T10-V87 WeakPolarHBondContact O-CB 3.46Å; T10-V87 PolarHBondContact OG1-N 3.23Å; T10-G88 PolarHBondContact O-N 2.98Å; T10-G88 PolarHBondContact OG1-N 3.47Å |
| 11 | G | 97.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 13% | 0.134 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 31.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112 | A13 G14 F41 D42 | G11-A13 PolarHBondContact O-N 3.43Å; G11-G14 PolarHBondContact O-N 3.35Å; G11-F41 PolarHBondContact N-O 3.34Å; G11-D42 WeakPolarHBondContact CA-OD2 3.18Å |
| 12 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -27.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L9 T10 G14 G17 Y18 L40 F41 D42 L50 L53 | L9-A12 HydrophobicContact CB-CB 4.42Å; L9-A12 HydrophobicContact CD2-CB 4.1Å; L9-A12 HydrophobicContact CG-CB 3.88Å; T10-A12 PolarHBondContact O-N 2.98Å; A12-G14 PolarHBondContact O-N 2.98Å; A12-G17 CarbonylContact O-C 3.51Å; A12-Y18 PolarHBondContact O-N 3.23Å; A12-L40 HydrophobicContact CB-CB 3.89Å; A12-L40 HydrophobicContact CB-CD2 4.03Å; A12-L40 HydrophobicContact CB-CG 4.49Å; A12-F41 PolarHBondContact N-O 3.08Å; A12-D42 PolarHBondContact N-OD2 3.31Å; A12-D42 VanDerWaalsContact N-OD2 3.15Å; A12-L50 HydrophobicContact CB-CD2 3.54Å; A12-L53 WeakPolarHBondContact O-CD2 3.4Å |
| 13 | A | 97.7 | Very high | 97.8 | Very high | 19 Ų | 19 | 32.3 Ų | 32.3 | 16% | 0.157 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -12.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G11 D42 M46 L50 | G11-A13 PolarHBondContact O-N 3.43Å; A13-D42 VanDerWaalsContact CB-OD2 3.31Å; A13-D42 WeakPolarHBondContact CB-OD2 3.47Å; A13-D42 PolarHBondContact N-OD2 2.81Å; A13-M46 HydrophobicContact CB-CB 4.07Å; A13-M46 HydrophobicContact CB-CE 3.51Å; A13-L50 HydrophobicContact CB-CD2 3.75Å; A13-L50 HydrophobicContact CB-CG 4.37Å |
| 14 | G | 96.6 | Very high | 98 | Very high | 33 Ų | 33 | 24.9 Ų | 24.9 | 34% | 0.34 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -73 | 164.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G11 A12 I16 G17 Y18 | G11-G14 PolarHBondContact O-N 3.35Å; A12-G14 PolarHBondContact O-N 2.98Å; G14-I16 VanDerWaalsContact C-N 3.31Å; G14-I16 PolarHBondContact O-N 2.98Å; G14-G17 WeakPolarHBondContact O-CA 3.5Å; G14-G17 PolarHBondContact O-N 2.93Å; G14-Y18 PolarHBondContact O-N 3.34Å |
| 15 | Q | 96.6 | Very high | 98 | Very high | 110 Ų | 110 | 23.1 Ų | 23.1 | 51% | 0.514 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -58.7 | -36.9 | -177.4 | -68.3 | -69.4 | -54 | 0 | 0 | 114.3 | S19 A243 | Q15-S19 PolarHBondContact O-N 2.98Å; Q15-S19 PolarHBondContact O-OG 2.54Å; Q15-A243 HydrophobicContact CB-CB 3.72Å |
| 16 | I | 97.4 | Very high | 97.9 | Very high | 36 Ų | 36 | 29.8 Ų | 29.8 | 19% | 0.185 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.5 | -46.2 | 174.2 | -65.5 | 171.5 | 0 | 0 | 0 | 109.3 | G14 Y18 S19 L20 V87 A243 A246 A247 | G14-I16 VanDerWaalsContact C-N 3.31Å; G14-I16 PolarHBondContact O-N 2.98Å; I16-Y18 PolarHBondContact O-N 3.3Å; I16-S19 PolarHBondContact O-N 3.03Å; I16-L20 WeakPolarHBondContact O-CB 3.38Å; I16-L20 PolarHBondContact O-N 2.84Å; I16-V87 HydrophobicContact CB-CG1 3.71Å; I16-V87 HydrophobicContact CD1-CG1 4.22Å; I16-V87 HydrophobicContact CG2-CG1 3.63Å; I16-V87 HydrophobicContact CG2-CG2 4.1Å; I16-A243 HydrophobicContact CG1-CB 4.07Å; I16-A246 HydrophobicContact CD1-CB 3.97Å; I16-A246 HydrophobicContact CG1-CB 4.13Å; I16-A247 HydrophobicContact CG2-CB 4.48Å |
| 17 | G | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.8 | -48.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A12 G14 S19 L20 A21 | A12-G17 CarbonylContact O-C 3.51Å; G14-G17 WeakPolarHBondContact O-CA 3.5Å; G14-G17 PolarHBondContact O-N 2.93Å; G17-S19 PolarHBondContact O-N 3.3Å; G17-L20 PolarHBondContact O-N 2.91Å; G17-L20 VanDerWaalsContact O-N 3.1Å; G17-A21 WeakPolarHBondContact O-CB 3.26Å; G17-A21 PolarHBondContact O-N 2.93Å |
| 18 | Y | 97.9 | Very high | 97.7 | Very high | 110 Ų | 110 | 28.6 Ų | 28.6 | 43% | 0.431 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -54.7 | -48.1 | 175 | -173.1 | -96.3 | 0 | 0 | 0 | 112.6 | A12 G14 I16 L20 L53 E56 | A12-Y18 PolarHBondContact O-N 3.23Å; G14-Y18 PolarHBondContact O-N 3.34Å; I16-Y18 PolarHBondContact O-N 3.3Å; Y18-L20 VanDerWaalsContact C-N 3.33Å; Y18-L20 PolarHBondContact O-N 2.94Å; Y18-L53 HydrophobicContact CD2-CD1 3.79Å; Y18-L53 HydrophobicContact CE2-CD1 4.08Å; Y18-E56 VanDerWaalsContact CE2-OE1 3.26Å; Y18-E56 WeakPolarHBondContact CE2-OE1 3.36Å; Y18-E56 PolarHBondContact OH-OE1 3.33Å; Y18-E56 PolarHBondContact OH-OE2 3.03Å |
| 19 | S | 97.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 28.6 Ų | 28.6 | 21% | 0.21 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.4 | -33.4 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | Q15 I16 G17 | Q15-S19 PolarHBondContact O-N 2.98Å; Q15-S19 PolarHBondContact O-OG 2.54Å; I16-S19 PolarHBondContact O-N 3.03Å; G17-S19 PolarHBondContact O-N 3.3Å |
| 20 | L | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -80.7 | -36.2 | -173.1 | -168.2 | 56.5 | 0 | 0 | 0 | 112.5 | L9 I16 G17 Y18 G22 M23 V24 M29 L85 V87 A247 V250 | L9-L20 HydrophobicContact CD1-CD2 3.75Å; L9-L20 HydrophobicContact CD2-CB 4.45Å; I16-L20 WeakPolarHBondContact O-CB 3.38Å; I16-L20 PolarHBondContact O-N 2.84Å; G17-L20 PolarHBondContact O-N 2.91Å; G17-L20 VanDerWaalsContact O-N 3.1Å; Y18-L20 VanDerWaalsContact C-N 3.33Å; Y18-L20 PolarHBondContact O-N 2.94Å; L20-G22 VanDerWaalsContact C-N 3.33Å; L20-G22 PolarHBondContact O-N 2.87Å; L20-M23 WeakPolarHBondContact O-CB 3.27Å; L20-M23 PolarHBondContact O-N 3.22Å; L20-M23 VanDerWaalsContact O-N 3.07Å; L20-V24 HydrophobicContact CG-CG2 4.49Å; L20-V24 WeakPolarHBondContact O-CG2 3.46Å; L20-V24 PolarHBondContact O-N 2.82Å; L20-M29 HydrophobicContact CD1-CE 3.2Å; L20-M29 HydrophobicContact CG-CE 3.91Å; L20-L85 HydrophobicContact CD2-CB 4.27Å; L20-L85 HydrophobicContact CD2-CD1 3.77Å; L20-L85 HydrophobicContact CG-CD1 4.07Å; L20-V87 HydrophobicContact CD2-CG2 4.15Å; L20-A247 HydrophobicContact CB-CB 3.98Å; L20-A247 HydrophobicContact CD1-CB 4.07Å; L20-A247 WeakPolarHBondContact CD1-O 3.41Å; L20-V250 HydrophobicContact CD1-CB 3.98Å; L20-V250 HydrophobicContact CD1-CG1 4.12Å; L20-V250 HydrophobicContact CD2-CB 4.17Å; L20-V250 HydrophobicContact CD2-CG1 3.85Å; L20-V250 HydrophobicContact CD2-CG2 4.5Å |
| 21 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L9 G17 M23 V24 A25 L38 L53 L57 | L9-A21 HydrophobicContact CD2-CB 4.24Å; G17-A21 WeakPolarHBondContact O-CB 3.26Å; G17-A21 PolarHBondContact O-N 2.93Å; A21-M23 PolarHBondContact O-N 2.8Å; A21-V24 PolarHBondContact O-N 2.94Å; A21-A25 WeakPolarHBondContact O-CB 3.42Å; A21-A25 PolarHBondContact O-N 2.83Å; A21-L38 HydrophobicContact CB-CD1 4.48Å; A21-L53 HydrophobicContact CB-CD1 4.24Å; A21-L53 HydrophobicContact CB-CD2 4.17Å; A21-L57 HydrophobicContact CB-CD1 4.17Å; A21-L57 HydrophobicContact CB-CD2 4.04Å |
| 22 | G | 97.3 | Very high | 97.3 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 23% | 0.227 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L20 A25 R26 | L20-G22 VanDerWaalsContact C-N 3.33Å; L20-G22 PolarHBondContact O-N 2.87Å; G22-A25 PolarHBondContact O-N 3.31Å; G22-R26 WeakPolarHBondContact O-CB 3.47Å; G22-R26 VanDerWaalsContact O-CG 3.24Å; G22-R26 WeakPolarHBondContact O-CG 3.04Å; G22-R26 PolarHBondContact O-N 3.28Å |
| 23 | M | 98 | Very high | 97.2 | Very high | 23 Ų | 23 | 39 Ų | 39 | 11% | 0.113 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 177 | -65.6 | 178.6 | -174.1 | 0 | 0 | 111.9 | L20 A21 R26 D28 L244 A247 K248 | L20-M23 WeakPolarHBondContact O-CB 3.27Å; L20-M23 PolarHBondContact O-N 3.22Å; L20-M23 VanDerWaalsContact O-N 3.07Å; A21-M23 PolarHBondContact O-N 2.8Å; M23-R26 WeakPolarHBondContact O-CG 3.23Å; M23-D28 HydrophobicContact CB-CB 4.34Å; M23-D28 WeakPolarHBondContact O-CB 3.27Å; M23-D28 PolarHBondContact O-N 3.02Å; M23-D28 VanDerWaalsContact O-N 3.1Å; M23-L244 HydrophobicContact CE-CD1 3.88Å; M23-A247 HydrophobicContact CE-CB 4.21Å; M23-A247 HydrophobicContact SD-CB 4.08Å; M23-K248 HydrophobicContact CE-CB 4.21Å; M23-K248 HydrophobicContact SD-CB 4.41Å |
| 24 | V | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.3 | -51.2 | 173.4 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | V7 L20 A21 R26 G27 M29 F30 V36 L38 L85 | V7-V24 HydrophobicContact CB-CG1 4.21Å; V7-V24 HydrophobicContact CG1-CG1 4.16Å; V7-V24 HydrophobicContact CG1-CG2 4.43Å; V7-V24 HydrophobicContact CG2-CG1 4.01Å; L20-V24 HydrophobicContact CG-CG2 4.49Å; L20-V24 WeakPolarHBondContact O-CG2 3.46Å; L20-V24 PolarHBondContact O-N 2.82Å; A21-V24 PolarHBondContact O-N 2.94Å; V24-R26 VanDerWaalsContact C-N 3.28Å; V24-R26 PolarHBondContact O-N 3.14Å; V24-G27 PolarHBondContact O-N 3.25Å; V24-G27 VanDerWaalsContact O-N 3.11Å; V24-M29 HydrophobicContact CG2-CE 3.4Å; V24-M29 HydrophobicContact CG2-SD 3.66Å; V24-F30 HydrophobicContact CG1-CE2 4.25Å; V24-V36 HydrophobicContact CG1-CB 4.46Å; V24-V36 HydrophobicContact CG1-CG1 4.42Å; V24-V36 HydrophobicContact CG1-CG2 4.31Å; V24-L38 HydrophobicContact CB-CD1 4.37Å; V24-L38 HydrophobicContact CB-CD2 3.93Å; V24-L38 HydrophobicContact CB-CG 4.46Å; V24-L38 HydrophobicContact CG1-CD1 4.41Å; V24-L38 HydrophobicContact CG1-CD2 3.63Å; V24-L38 HydrophobicContact CG1-CG 4.04Å; V24-L38 HydrophobicContact CG2-CD2 4.25Å; V24-L85 HydrophobicContact CG2-CD1 3.94Å |
| 25 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -30.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A21 G22 L38 L57 F62 L65 | A21-A25 WeakPolarHBondContact O-CB 3.42Å; A21-A25 PolarHBondContact O-N 2.83Å; G22-A25 PolarHBondContact O-N 3.31Å; A25-L38 HydrophobicContact CB-CD1 4.18Å; A25-L57 HydrophobicContact CB-CD2 4.21Å; A25-F62 HydrophobicContact CB-CB 4.18Å; A25-F62 HydrophobicContact CB-CD2 3.36Å; A25-F62 HydrophobicContact CB-CE2 3.77Å; A25-F62 HydrophobicContact CB-CG 3.81Å; A25-L65 HydrophobicContact CB-CB 4.13Å; A25-L65 HydrophobicContact CB-CD1 4.39Å; A25-L65 HydrophobicContact CB-CD2 3.98Å; A25-L65 HydrophobicContact CB-CG 4.41Å |
| 26 | R | 96.4 | Very high | 97.4 | Very high | 149 Ų | 149 | 34.2 Ų | 34.2 | 56% | 0.562 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -6.7 | 177.9 | 72.3 | -170.8 | -73 | -138.9 | 9 | 114.9 | G22 M23 V24 D28 F62 | G22-R26 WeakPolarHBondContact O-CB 3.47Å; G22-R26 VanDerWaalsContact O-CG 3.24Å; G22-R26 WeakPolarHBondContact O-CG 3.04Å; G22-R26 PolarHBondContact O-N 3.28Å; M23-R26 WeakPolarHBondContact O-CG 3.23Å; V24-R26 VanDerWaalsContact C-N 3.28Å; V24-R26 PolarHBondContact O-N 3.14Å; R26-D28 WeakPolarHBondContact CD-OD1 3.3Å; R26-D28 VanDerWaalsContact CD-OD2 3.23Å; R26-D28 WeakPolarHBondContact CD-OD2 3.33Å; R26-D28 HydrophobicContact CG-CB 4.35Å; R26-D28 WeakPolarHBondContact CG-OD1 3.3Å; R26-D28 IonicContact CZ-OD1 3.75Å; R26-D28 IonicContact CZ-OD2 2.77Å; R26-D28 IonicContact NE-OD1 2.68Å; R26-D28 PolarHBondContact NE-OD1 3.5Å; R26-D28 IonicContact NE-OD2 2.77Å; R26-D28 IonicContact NH1-OD1 3.7Å; R26-D28 PolarHBondContact NH1-OD1 2.9Å; R26-D28 IonicContact NH1-OD2 2.68Å; R26-D28 PolarHBondContact NH1-OD2 3.44Å; R26-F62 HydrophobicContact CB-CD1 4Å; R26-F62 HydrophobicContact CB-CE1 3.79Å |
| 27 | G | 96.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 12.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V24 M29 G31 | V24-G27 PolarHBondContact O-N 3.25Å; V24-G27 VanDerWaalsContact O-N 3.11Å; G27-M29 PolarHBondContact O-N 3.34Å; G27-M29 VanDerWaalsContact O-N 3.16Å; G27-G31 CarbonylContact O-C 3.46Å; G27-G31 PolarHBondContact O-N 3.07Å; G27-G31 VanDerWaalsContact O-N 3.11Å |
| 28 | D | 97.1 | Very high | 97.5 | Very high | 49 Ų | 49 | 33.3 Ų | 33.3 | 26% | 0.262 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22 | -177.8 | -69.5 | -9.3 | 0 | 0 | 0 | 112.6 | M23 R26 S251 | M23-D28 HydrophobicContact CB-CB 4.34Å; M23-D28 WeakPolarHBondContact O-CB 3.27Å; M23-D28 PolarHBondContact O-N 3.02Å; M23-D28 VanDerWaalsContact O-N 3.1Å; R26-D28 WeakPolarHBondContact CD-OD1 3.3Å; R26-D28 VanDerWaalsContact CD-OD2 3.23Å; R26-D28 WeakPolarHBondContact CD-OD2 3.33Å; R26-D28 HydrophobicContact CG-CB 4.35Å; R26-D28 WeakPolarHBondContact CG-OD1 3.3Å; R26-D28 IonicContact CZ-OD1 3.75Å; R26-D28 IonicContact CZ-OD2 2.77Å; R26-D28 IonicContact NE-OD1 2.68Å; R26-D28 PolarHBondContact NE-OD1 3.5Å; R26-D28 IonicContact NE-OD2 2.77Å; R26-D28 IonicContact NH1-OD1 3.7Å; R26-D28 PolarHBondContact NH1-OD1 2.9Å; R26-D28 IonicContact NH1-OD2 2.68Å; R26-D28 PolarHBondContact NH1-OD2 3.44Å; D28-S251 WeakPolarHBondContact CB-OG 3.42Å |
| 29 | M | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -39.3 | -179.3 | -71 | -169.7 | -166.4 | 0 | 0 | 114.8 | L20 V24 G27 L85 V250 S251 M254 H255 | L20-M29 HydrophobicContact CD1-CE 3.2Å; L20-M29 HydrophobicContact CG-CE 3.91Å; V24-M29 HydrophobicContact CG2-CE 3.4Å; V24-M29 HydrophobicContact CG2-SD 3.66Å; G27-M29 PolarHBondContact O-N 3.34Å; G27-M29 VanDerWaalsContact O-N 3.16Å; M29-L85 HydrophobicContact CE-CD1 3.8Å; M29-L85 HydrophobicContact SD-CD1 4.09Å; M29-L85 HydrophobicContact SD-CD2 4.49Å; M29-V250 HydrophobicContact CE-CG1 4.32Å; M29-S251 WeakPolarHBondContact CG-OG 3.38Å; M29-M254 HydrophobicContact CB-CB 4.41Å; M29-M254 HydrophobicContact CG-CB 4.2Å; M29-M254 HydrophobicContact SD-CB 3.89Å; M29-M254 HydrophobicContact SD-CG 4.17Å; M29-H255 VanDerWaalsContact O-CA 3.23Å; M29-H255 WeakPolarHBondContact O-CA 3.3Å |
| 30 | F | 97.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 2.6 | -166.2 | -52.7 | -70.3 | 0 | 0 | 0 | 113.2 | I5 V7 V24 Q34 V36 A83 M254 W258 | I5-F30 HydrophobicContact CD1-CB 3.98Å; I5-F30 HydrophobicContact CD1-CD1 3.71Å; I5-F30 HydrophobicContact CD1-CE1 4.35Å; I5-F30 HydrophobicContact CD1-CG 3.81Å; I5-F30 HydrophobicContact CG2-CE1 4.26Å; I5-F30 HydrophobicContact CG2-CE2 4.29Å; I5-F30 HydrophobicContact CG2-CZ 4.15Å; V7-F30 HydrophobicContact CG2-CD2 4.42Å; V7-F30 HydrophobicContact CG2-CE2 3.47Å; V7-F30 VanDerWaalsContact CG2-CE2 3.47Å; V7-F30 HydrophobicContact CG2-CZ 3.83Å; V24-F30 HydrophobicContact CG1-CE2 4.25Å; F30-Q34 HydrophobicContact CB-CB 3.87Å; F30-Q34 HydrophobicContact CB-CG 3.66Å; F30-Q34 WeakPolarHBondContact O-CB 3.45Å; F30-V36 HydrophobicContact CD2-CG1 3.77Å; F30-V36 HydrophobicContact CE2-CG1 4.32Å; F30-A83 HydrophobicContact CE1-CB 4.33Å; F30-A83 HydrophobicContact CZ-CB 3.93Å; F30-M254 HydrophobicContact CE1-CE 4.22Å; F30-M254 HydrophobicContact CZ-CE 4.43Å; F30-W258 HydrophobicContact CD1-CB 4.33Å; F30-W258 AromaticContact CD1-CD2 3.69Å; F30-W258 HydrophobicContact CD1-CD2 3.69Å; F30-W258 HydrophobicContact CD1-CE3 4.02Å; F30-W258 AromaticContact CD1-CG 3.82Å; F30-W258 HydrophobicContact CD1-CG 3.82Å; F30-W258 AromaticContact CE1-CD2 3.77Å; F30-W258 HydrophobicContact CE1-CD2 3.77Å; F30-W258 AromaticContact CE1-CE3 3.58Å; F30-W258 HydrophobicContact CE1-CE3 3.58Å; F30-W258 HydrophobicContact CE1-CG 4.28Å; F30-W258 HydrophobicContact CE1-CH2 4.46Å; F30-W258 AromaticContact CE1-CZ3 3.94Å; F30-W258 HydrophobicContact CE1-CZ3 3.94Å |
| 31 | G | 95.9 | Very high | 97.6 | Very high | 12 Ų | 12 | 28 Ų | 28 | 12% | 0.124 | 15% | 0.149 | C | C | . | . | trans | 98.8 | 164.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G27 D33 Q34 | G27-G31 CarbonylContact O-C 3.46Å; G27-G31 PolarHBondContact O-N 3.07Å; G27-G31 VanDerWaalsContact O-N 3.11Å; G31-D33 PolarHBondContact O-N 3.03Å; G31-D33 VanDerWaalsContact O-N 3.15Å; G31-Q34 PolarHBondContact O-N 3.37Å | ||
| 32 | P | 95.4 | Very high | 97.6 | Very high | 95 Ų | 95 | 28.9 Ų | 28.9 | 62% | 0.617 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.9 | -167.1 | 30 | -37.2 | 0 | 0 | 0 | 114.7 | R63 L64 | P32-R63 PolarHBondContact O-NH2 2.89Å; P32-L64 WeakPolarHBondContact O-CD1 3.21Å |
| 33 | D | 95.8 | Very high | 97.6 | Very high | 115 Ų | 115 | 32.8 Ų | 32.8 | 62% | 0.615 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 1.7 | -175.5 | -65.9 | -50.8 | 0 | 0 | 0 | 113.8 | G31 R63 | G31-D33 PolarHBondContact O-N 3.03Å; G31-D33 VanDerWaalsContact O-N 3.15Å; D33-R63 IonicContact OD1-NH2 3.62Å; D33-R63 PolarHBondContact OD1-NH2 2.87Å |
| 34 | Q | 97.8 | Very high | 97.6 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | trans | -90.1 | 113.5 | 179 | -178.5 | 54.4 | 71.5 | 0 | 0 | 110 | E3 I5 F30 G31 | E3-Q34 PolarHBondContact O-NE2 2.88Å; I5-Q34 HydrophobicContact CD1-CG 3.44Å; I5-Q34 VanDerWaalsContact CD1-CG 3.44Å; I5-Q34 HydrophobicContact CG1-CG 3.89Å; F30-Q34 HydrophobicContact CB-CB 3.87Å; F30-Q34 HydrophobicContact CB-CG 3.66Å; F30-Q34 WeakPolarHBondContact O-CB 3.45Å; G31-Q34 PolarHBondContact O-N 3.37Å | ||
| 35 | E | 98.2 | Very high | 97.6 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | trans | -67.1 | 148.6 | 173.8 | -65.3 | -171.7 | 152.2 | 0 | 0 | 111 | P4 I5 L64 K66 | P4-E35 CarbonylContact C-O 3.48Å; P4-E35 VanDerWaalsContact CA-O 3.27Å; P4-E35 WeakPolarHBondContact CA-O 3.34Å; P4-E35 HydrophobicContact CB-CB 3.99Å; P4-E35 HydrophobicContact CG-CB 3.99Å; I5-E35 PolarHBondContact N-O 3.39Å; E35-L64 WeakPolarHBondContact CA-O 3.46Å; E35-K66 HydrophobicContact CB-CD 4.34Å; E35-K66 HydrophobicContact CB-CG 3.75Å; E35-K66 VanDerWaalsContact CD-CD 3.43Å; E35-K66 HydrophobicContact CG-CD 4.12Å; E35-K66 HydrophobicContact CG-CG 4.1Å; E35-K66 WeakPolarHBondContact OE1-CD 3.36Å; E35-K66 WeakPolarHBondContact OE1-CE 3.29Å; E35-K66 IonicContact OE1-NZ 3.16Å; E35-K66 PolarHBondContact OE1-NZ 2.84Å; E35-K66 WeakPolarHBondContact OE2-CD 3.4Å | ||
| 36 | V | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 150.3 | -178.6 | -63.3 | 0 | 0 | 0 | 0 | 112 | I5 V7 V24 F30 L64 L65 K66 | I5-V36 CarbonylContact O-C 3.56Å; I5-V36 VanDerWaalsContact O-CA 3.29Å; I5-V36 WeakPolarHBondContact O-CA 3.48Å; V7-V36 HydrophobicContact CG2-CG1 4.47Å; V24-V36 HydrophobicContact CG1-CB 4.46Å; V24-V36 HydrophobicContact CG1-CG1 4.42Å; V24-V36 HydrophobicContact CG1-CG2 4.31Å; F30-V36 HydrophobicContact CD2-CG1 3.77Å; F30-V36 HydrophobicContact CE2-CG1 4.32Å; V36-L64 PolarHBondContact N-O 3.14Å; V36-L65 HydrophobicContact CG2-CD1 4.14Å; V36-K66 PolarHBondContact O-N 3.3Å |
| 37 | I | 98.7 | Very high | 97.6 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 9% | 0.092 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.8 | 166.4 | -64.7 | 171.3 | 0 | 0 | 0 | 106.9 | P4 I5 R6 V7 K66 N67 V69 | P4-I37 HydrophobicContact CB-CD1 4.05Å; P4-I37 HydrophobicContact CB-CG1 3.94Å; I5-I37 PolarHBondContact O-N 3.08Å; R6-I37 WeakPolarHBondContact CA-O 3.5Å; R6-I37 HydrophobicContact CG-CB 4.11Å; R6-I37 HydrophobicContact CG-CD1 4.26Å; R6-I37 HydrophobicContact CG-CG2 4.47Å; V7-I37 PolarHBondContact N-O 3.44Å; I37-K66 HydrophobicContact CG1-CB 4.28Å; I37-N67 WeakPolarHBondContact CA-O 3.45Å; I37-N67 HydrophobicContact CG1-CB 4.16Å; I37-N67 HydrophobicContact CG2-CB 4.08Å; I37-V69 HydrophobicContact CG2-CG2 4.29Å |
| 38 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.4 | -179.9 | -87.7 | 170.1 | 0 | 0 | 0 | 110.8 | V7 A21 V24 A25 L40 L57 L65 N67 V68 V69 | V7-L38 HydrophobicContact CB-CD2 4.2Å; V7-L38 HydrophobicContact CG1-CD2 4.36Å; A21-L38 HydrophobicContact CB-CD1 4.48Å; V24-L38 HydrophobicContact CB-CD1 4.37Å; V24-L38 HydrophobicContact CB-CD2 3.93Å; V24-L38 HydrophobicContact CB-CG 4.46Å; V24-L38 HydrophobicContact CG1-CD1 4.41Å; V24-L38 HydrophobicContact CG1-CD2 3.63Å; V24-L38 HydrophobicContact CG1-CG 4.04Å; V24-L38 HydrophobicContact CG2-CD2 4.25Å; A25-L38 HydrophobicContact CB-CD1 4.18Å; L38-L40 HydrophobicContact CB-CD2 4.31Å; L38-L57 HydrophobicContact CD1-CD1 4.16Å; L38-L57 HydrophobicContact CD1-CD2 4.49Å; L38-L65 HydrophobicContact CB-CD1 4.08Å; L38-L65 HydrophobicContact CD1-CD1 3.82Å; L38-L65 HydrophobicContact CG-CD1 4.02Å; L38-N67 PolarHBondContact N-O 2.54Å; L38-V68 CarbonylContact O-C 3.58Å; L38-V68 WeakPolarHBondContact O-CA 3.27Å; L38-V69 PolarHBondContact O-N 3.29Å |
| 39 | H | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 103.1 | 169.5 | -71 | -133.8 | 0 | 0 | 0 | 108.3 | R6 V7 L8 L9 V69 V76 A77 | R6-H39 PolarHBondContact NH1-NE2 2.88Å; V7-H39 PolarHBondContact O-N 3.24Å; L8-H39 HydrophobicContact CD1-CB 4.21Å; L9-H39 PolarHBondContact N-O 3.27Å; H39-V69 CarbonylContact C-O 3.51Å; H39-V76 PolarHBondContact ND1-O 3.42Å; H39-A77 PolarHBondContact ND1-O 3.06Å |
| 40 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 111.8 | 178.3 | -54.3 | -176.4 | 0 | 0 | 0 | 109.1 | L9 A12 L38 L50 L53 L57 V68 V69 V70 T71 | L9-L40 HydrophobicContact CB-CD2 4.4Å; L9-L40 HydrophobicContact CD2-CD2 4.19Å; A12-L40 HydrophobicContact CB-CB 3.89Å; A12-L40 HydrophobicContact CB-CD2 4.03Å; A12-L40 HydrophobicContact CB-CG 4.49Å; L38-L40 HydrophobicContact CB-CD2 4.31Å; L40-L50 HydrophobicContact CB-CD2 4.25Å; L40-L53 HydrophobicContact CD1-CD2 3.99Å; L40-L53 HydrophobicContact CD1-CG 4.03Å; L40-L53 HydrophobicContact CD2-CD2 4.49Å; L40-L57 HydrophobicContact CD1-CD1 3.98Å; L40-V68 HydrophobicContact CD1-CG1 3.59Å; L40-V68 HydrophobicContact CG-CG1 3.89Å; L40-V69 PolarHBondContact N-O 2.87Å; L40-V70 HydrophobicContact CB-CG2 4.46Å; L40-V70 HydrophobicContact CD1-CG2 4.24Å; L40-T71 PolarHBondContact O-N 3.15Å; L40-T71 VanDerWaalsContact O-N 3.09Å |
| 41 | F | 98.8 | Very high | 97.9 | Very high | 24 Ų | 24 | 52 Ų | 52 | 11% | 0.105 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.3 | -177.1 | 177.4 | -102.6 | 0 | 0 | 0 | 111.5 | L8 L9 T10 G11 A12 T71 H72 P74 A77 F78 | L8-F41 HydrophobicContact CD1-CB 3.68Å; L8-F41 HydrophobicContact CD1-CG 4.48Å; L9-F41 PolarHBondContact O-N 3.31Å; T10-F41 CarbonylContact C-O 3.55Å; T10-F41 VanDerWaalsContact CA-O 3.31Å; T10-F41 WeakPolarHBondContact CA-O 3.33Å; T10-F41 HydrophobicContact CG2-CD1 3.81Å; G11-F41 PolarHBondContact N-O 3.34Å; A12-F41 PolarHBondContact N-O 3.08Å; F41-T71 WeakPolarHBondContact CA-O 3.34Å; F41-T71 HydrophobicContact CD2-CG2 4.45Å; F41-H72 VanDerWaalsContact CE2-C 3.49Å; F41-H72 WeakPolarHBondContact CE2-O 3.38Å; F41-P74 HydrophobicContact CE2-CG 4.22Å; F41-P74 HydrophobicContact CZ-CG 4.23Å; F41-A77 HydrophobicContact CB-CB 3.77Å; F41-A77 HydrophobicContact CD2-CB 3.42Å; F41-A77 VanDerWaalsContact CD2-CB 3.42Å; F41-A77 HydrophobicContact CE2-CB 4.23Å; F41-A77 HydrophobicContact CG-CB 3.8Å; F41-F78 HydrophobicContact CD1-CE2 4.29Å; F41-F78 HydrophobicContact CE1-CE2 4.28Å; F41-F78 HydrophobicContact CG-CE2 4.47Å; F41-F78 HydrophobicContact CZ-CE2 4.42Å |
| 42 | D | 98.2 | Very high | 98 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | trans | -155.5 | -178.5 | 175.3 | -143.8 | -49.4 | 0 | 0 | 0 | 110.4 | G11 A12 A13 M46 L50 T71 H72 | G11-D42 WeakPolarHBondContact CA-OD2 3.18Å; A12-D42 PolarHBondContact N-OD2 3.31Å; A12-D42 VanDerWaalsContact N-OD2 3.15Å; A13-D42 VanDerWaalsContact CB-OD2 3.31Å; A13-D42 WeakPolarHBondContact CB-OD2 3.47Å; A13-D42 PolarHBondContact N-OD2 2.81Å; D42-M46 HydrophobicContact CB-CB 3.86Å; D42-L50 HydrophobicContact CB-CD1 3.72Å; D42-L50 HydrophobicContact CB-CD2 4.05Å; D42-L50 HydrophobicContact CB-CG 4.07Å; D42-T71 PolarHBondContact N-O 3.15Å; D42-H72 WeakPolarHBondContact O-CA 3.09Å; D42-H72 VanDerWaalsContact O-CB 3.25Å; D42-H72 WeakPolarHBondContact O-CB 3.41Å | ||
| 43 | L | 96.7 | Very high | 98.1 | Very high | 104 Ų | 104 | 48.7 Ų | 48.7 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | trans | -62.4 | 153.5 | 175.2 | -56.5 | 173.7 | 0 | 0 | 0 | 110.9 | Q45 M46 | L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 VanDerWaalsContact CD1-NE2 3.32Å; L43-Q45 PolarHBondContact O-N 2.86Å; L43-M46 HydrophobicContact CB-CG 4.27Å; L43-M46 WeakPolarHBondContact O-CA 3.25Å; L43-M46 WeakPolarHBondContact O-CB 3.32Å; L43-M46 PolarHBondContact O-N 2.75Å | ||
| 44 | E | 97.9 | Very high | 98.3 | Very high | 137 Ų | 137 | 45.3 Ų | 45.3 | 64% | 0.64 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -52.6 | -44.1 | -178.2 | -174.9 | 177.6 | -173.6 | 0 | 0 | 112.5 | M46 V47 H72 | E44-M46 PolarHBondContact O-N 2.93Å; E44-M46 VanDerWaalsContact O-N 3.14Å; E44-V47 WeakPolarHBondContact O-CB 3.39Å; E44-V47 WeakPolarHBondContact O-CG2 3.37Å; E44-V47 PolarHBondContact O-N 3.37Å; E44-H72 HydrophobicContact CB-CB 4.32Å |
| 45 | Q | 97.7 | Very high | 98.3 | Very high | 145 Ų | 145 | 48.8 Ų | 48.8 | 68% | 0.678 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -66.8 | -14.1 | 178.3 | 69.4 | -87 | 18.9 | 0 | 0 | 114.4 | L43 | L43-Q45 VanDerWaalsContact C-N 3.27Å; L43-Q45 VanDerWaalsContact CD1-NE2 3.32Å; L43-Q45 PolarHBondContact O-N 2.86Å |
| 46 | M | 97.7 | Very high | 98.3 | Very high | 62 Ų | 62 | 51.6 Ų | 51.6 | 31% | 0.305 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -95.6 | -5.1 | 179.7 | -61.4 | -56.4 | -64.5 | 0 | 0 | 112.8 | A13 D42 L43 E44 E48 S49 L50 | A13-M46 HydrophobicContact CB-CB 4.07Å; A13-M46 HydrophobicContact CB-CE 3.51Å; D42-M46 HydrophobicContact CB-CB 3.86Å; L43-M46 HydrophobicContact CB-CG 4.27Å; L43-M46 WeakPolarHBondContact O-CA 3.25Å; L43-M46 WeakPolarHBondContact O-CB 3.32Å; L43-M46 PolarHBondContact O-N 2.75Å; E44-M46 PolarHBondContact O-N 2.93Å; E44-M46 VanDerWaalsContact O-N 3.14Å; M46-E48 PolarHBondContact O-N 2.83Å; M46-S49 WeakPolarHBondContact O-CA 3.39Å; M46-S49 WeakPolarHBondContact O-CB 3.46Å; M46-S49 PolarHBondContact O-N 3.06Å; M46-L50 PolarHBondContact O-N 3.45Å |
| 47 | V | 97.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.1 | -38.2 | -176.2 | 170.8 | 0 | 0 | 0 | 0 | 112.3 | E44 S49 L50 K51 V70 H72 | E44-V47 WeakPolarHBondContact O-CB 3.39Å; E44-V47 WeakPolarHBondContact O-CG2 3.37Å; E44-V47 PolarHBondContact O-N 3.37Å; V47-S49 VanDerWaalsContact C-N 3.34Å; V47-S49 PolarHBondContact O-N 3.44Å; V47-L50 WeakPolarHBondContact O-CB 3.46Å; V47-L50 PolarHBondContact O-N 3.18Å; V47-L50 VanDerWaalsContact O-N 3.14Å; V47-K51 PolarHBondContact O-N 3.08Å; V47-V70 HydrophobicContact CG1-CG1 4.34Å; V47-H72 HydrophobicContact CG2-CB 3.8Å |
| 48 | E | 98.1 | Very high | 98.3 | Very high | 125 Ų | 125 | 56.6 Ų | 56.6 | 58% | 0.584 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67 | -37 | 177.9 | -163 | 58 | -149.1 | 0 | 0 | 112 | M46 L50 K51 G52 | M46-E48 PolarHBondContact O-N 2.83Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 2.84Å; E48-K51 PolarHBondContact O-N 3.48Å; E48-K51 WeakPolarHBondContact OE2-CD 3.24Å; E48-K51 IonicContact OE2-NZ 2.7Å; E48-K51 PolarHBondContact OE2-NZ 3.3Å; E48-G52 PolarHBondContact O-N 2.88Å; E48-G52 VanDerWaalsContact O-N 3.13Å |
| 49 | S | 98.3 | Very high | 98.2 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.6 | -33.3 | 172.2 | -171.2 | 0 | 0 | 0 | 0 | 112 | M46 V47 G52 L53 | M46-S49 WeakPolarHBondContact O-CA 3.39Å; M46-S49 WeakPolarHBondContact O-CB 3.46Å; M46-S49 PolarHBondContact O-N 3.06Å; V47-S49 VanDerWaalsContact C-N 3.34Å; V47-S49 PolarHBondContact O-N 3.44Å; S49-G52 PolarHBondContact O-N 3.13Å; S49-L53 PolarHBondContact O-N 3.32Å; S49-L53 VanDerWaalsContact O-N 3.09Å |
| 50 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 174.4 | -64.4 | -178.1 | 0 | 0 | 0 | 112.3 | A12 A13 L40 D42 M46 V47 E48 G52 L53 E54 V70 | A12-L50 HydrophobicContact CB-CD2 3.54Å; A13-L50 HydrophobicContact CB-CD2 3.75Å; A13-L50 HydrophobicContact CB-CG 4.37Å; L40-L50 HydrophobicContact CB-CD2 4.25Å; D42-L50 HydrophobicContact CB-CD1 3.72Å; D42-L50 HydrophobicContact CB-CD2 4.05Å; D42-L50 HydrophobicContact CB-CG 4.07Å; M46-L50 PolarHBondContact O-N 3.45Å; V47-L50 WeakPolarHBondContact O-CB 3.46Å; V47-L50 PolarHBondContact O-N 3.18Å; V47-L50 VanDerWaalsContact O-N 3.14Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 2.84Å; L50-G52 VanDerWaalsContact C-N 3.28Å; L50-G52 PolarHBondContact O-N 3.07Å; L50-L53 PolarHBondContact O-N 3.24Å; L50-E54 PolarHBondContact O-N 3.08Å; L50-V70 HydrophobicContact CB-CB 4.45Å; L50-V70 HydrophobicContact CB-CG1 3.44Å; L50-V70 VanDerWaalsContact CB-CG1 3.44Å; L50-V70 HydrophobicContact CB-CG2 4.25Å; L50-V70 HydrophobicContact CD1-CG1 4.02Å; L50-V70 HydrophobicContact CG-CG1 4.41Å |
| 51 | K | 98.6 | Very high | 98.1 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 35% | 0.352 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 172.7 | -66.2 | 179.7 | -165.1 | 157.5 | 0 | 111.4 | V47 E48 E54 M55 V70 | V47-K51 PolarHBondContact O-N 3.08Å; E48-K51 PolarHBondContact O-N 3.48Å; E48-K51 WeakPolarHBondContact OE2-CD 3.24Å; E48-K51 IonicContact OE2-NZ 2.7Å; E48-K51 PolarHBondContact OE2-NZ 3.3Å; K51-E54 WeakPolarHBondContact O-CB 3.34Å; K51-E54 PolarHBondContact O-N 3.28Å; K51-M55 HydrophobicContact CB-CE 4.48Å; K51-M55 WeakPolarHBondContact O-CG 3.45Å; K51-M55 PolarHBondContact O-N 3.11Å; K51-V70 HydrophobicContact CG-CG1 4.32Å |
| 52 | G | 98.5 | Very high | 98.1 | Very high | 28 Ų | 28 | 71 Ų | 71 | 29% | 0.289 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59 | -46.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | E48 S49 L50 E54 M55 E56 | E48-G52 PolarHBondContact O-N 2.88Å; E48-G52 VanDerWaalsContact O-N 3.13Å; S49-G52 PolarHBondContact O-N 3.13Å; L50-G52 VanDerWaalsContact C-N 3.28Å; L50-G52 PolarHBondContact O-N 3.07Å; G52-E54 VanDerWaalsContact C-N 3.33Å; G52-E54 PolarHBondContact O-N 3.02Å; G52-M55 WeakPolarHBondContact O-CB 3.18Å; G52-M55 PolarHBondContact O-N 3.5Å; G52-E56 PolarHBondContact O-N 3.44Å; G52-E56 VanDerWaalsContact O-N 3.09Å |
| 53 | L | 98.5 | Very high | 98 | Very high | 10 Ų | 10 | 77.5 Ų | 77.5 | 5% | 0.052 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | 175 | 176.4 | 56.7 | 0 | 0 | 0 | 112.4 | A12 Y18 A21 L40 S49 L50 E56 L57 | A12-L53 WeakPolarHBondContact O-CD2 3.4Å; Y18-L53 HydrophobicContact CD2-CD1 3.79Å; Y18-L53 HydrophobicContact CE2-CD1 4.08Å; A21-L53 HydrophobicContact CB-CD1 4.24Å; A21-L53 HydrophobicContact CB-CD2 4.17Å; L40-L53 HydrophobicContact CD1-CD2 3.99Å; L40-L53 HydrophobicContact CD1-CG 4.03Å; L40-L53 HydrophobicContact CD2-CD2 4.49Å; S49-L53 PolarHBondContact O-N 3.32Å; S49-L53 VanDerWaalsContact O-N 3.09Å; L50-L53 PolarHBondContact O-N 3.24Å; L53-E56 PolarHBondContact O-N 3.1Å; L53-L57 HydrophobicContact CD1-CD1 4.32Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CG-CD1 4.14Å; L53-L57 HydrophobicContact CG-CG 4.47Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.25Å |
| 54 | E | 98.6 | Very high | 98.1 | Very high | 44 Ų | 44 | 72.9 Ų | 72.9 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 173.7 | 172.6 | 177.4 | -137.8 | 0 | 0 | 111.9 | L50 K51 G52 E56 L57 Q58 V68 V70 | L50-E54 PolarHBondContact O-N 3.08Å; K51-E54 WeakPolarHBondContact O-CB 3.34Å; K51-E54 PolarHBondContact O-N 3.28Å; G52-E54 VanDerWaalsContact C-N 3.33Å; G52-E54 PolarHBondContact O-N 3.02Å; E54-E56 PolarHBondContact O-N 3Å; E54-L57 PolarHBondContact O-N 3.12Å; E54-Q58 VanDerWaalsContact O-CG 3.31Å; E54-Q58 WeakPolarHBondContact O-CG 3.4Å; E54-Q58 PolarHBondContact O-N 3.46Å; E54-V68 HydrophobicContact CB-CG1 4.06Å; E54-V68 HydrophobicContact CG-CB 4.09Å; E54-V68 HydrophobicContact CG-CG1 3.96Å; E54-V70 HydrophobicContact CB-CG2 3.77Å; E54-V70 HydrophobicContact CG-CG2 4.33Å |
| 55 | M | 98.7 | Very high | 98.1 | Very high | 104 Ų | 104 | 67.6 Ų | 67.6 | 51% | 0.512 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 175.1 | -66.2 | 171.5 | -161.8 | 0 | 0 | 111.1 | K51 G52 L57 Q58 D59 | K51-M55 HydrophobicContact CB-CE 4.48Å; K51-M55 WeakPolarHBondContact O-CG 3.45Å; K51-M55 PolarHBondContact O-N 3.11Å; G52-M55 WeakPolarHBondContact O-CB 3.18Å; G52-M55 PolarHBondContact O-N 3.5Å; M55-L57 VanDerWaalsContact C-N 3.32Å; M55-L57 PolarHBondContact O-N 3.39Å; M55-Q58 WeakPolarHBondContact O-CB 3.45Å; M55-Q58 PolarHBondContact O-N 3.05Å; M55-Q58 VanDerWaalsContact O-N 3.13Å; M55-D59 VanDerWaalsContact O-CG 3.31Å; M55-D59 PolarHBondContact O-N 3.4Å |
| 56 | E | 98.6 | Very high | 98.1 | Very high | 89 Ų | 89 | 65.2 Ų | 65.2 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 178.5 | -69.6 | -168.5 | -104.4 | 0 | 0 | 112.7 | Y18 G52 L53 E54 Q58 D59 C60 | Y18-E56 VanDerWaalsContact CE2-OE1 3.26Å; Y18-E56 WeakPolarHBondContact CE2-OE1 3.36Å; Y18-E56 PolarHBondContact OH-OE1 3.33Å; Y18-E56 PolarHBondContact OH-OE2 3.03Å; G52-E56 PolarHBondContact O-N 3.44Å; G52-E56 VanDerWaalsContact O-N 3.09Å; L53-E56 PolarHBondContact O-N 3.1Å; E54-E56 PolarHBondContact O-N 3Å; E56-Q58 VanDerWaalsContact C-N 3.34Å; E56-D59 PolarHBondContact O-N 2.98Å; E56-C60 PolarHBondContact O-N 3.31Å; E56-C60 VanDerWaalsContact O-N 3.11Å; E56-C60 PolarHBondContact O-SG 3.33Å |
| 57 | L | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 174.7 | -74.1 | 169.2 | 0 | 0 | 0 | 112.4 | A21 A25 L38 L40 L53 E54 M55 F62 L65 V68 | A21-L57 HydrophobicContact CB-CD1 4.17Å; A21-L57 HydrophobicContact CB-CD2 4.04Å; A25-L57 HydrophobicContact CB-CD2 4.21Å; L38-L57 HydrophobicContact CD1-CD1 4.16Å; L38-L57 HydrophobicContact CD1-CD2 4.49Å; L40-L57 HydrophobicContact CD1-CD1 3.98Å; L53-L57 HydrophobicContact CD1-CD1 4.32Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CG-CD1 4.14Å; L53-L57 HydrophobicContact CG-CG 4.47Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 VanDerWaalsContact O-CG 3.28Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 3.25Å; E54-L57 PolarHBondContact O-N 3.12Å; M55-L57 VanDerWaalsContact C-N 3.32Å; M55-L57 PolarHBondContact O-N 3.39Å; L57-F62 HydrophobicContact CD2-CE2 4.2Å; L57-L65 HydrophobicContact CB-CD2 3.95Å; L57-L65 HydrophobicContact CD2-CD2 4.41Å; L57-V68 HydrophobicContact CB-CG2 4.41Å; L57-V68 HydrophobicContact CD1-CG1 4.4Å; L57-V68 HydrophobicContact CD1-CG2 4.17Å |
| 58 | Q | 97.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 65.6 Ų | 65.6 | 55% | 0.547 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.5 | -45 | 174.9 | -70.5 | 171 | 3.8 | 0 | 0 | 110.9 | E54 M55 E56 C60 G61 | E54-Q58 VanDerWaalsContact O-CG 3.31Å; E54-Q58 WeakPolarHBondContact O-CG 3.4Å; E54-Q58 PolarHBondContact O-N 3.46Å; M55-Q58 WeakPolarHBondContact O-CB 3.45Å; M55-Q58 PolarHBondContact O-N 3.05Å; M55-Q58 VanDerWaalsContact O-N 3.13Å; E56-Q58 VanDerWaalsContact C-N 3.34Å; Q58-C60 PolarHBondContact O-N 2.93Å; Q58-G61 PolarHBondContact O-N 3.43Å; Q58-G61 VanDerWaalsContact O-N 3.07Å |
| 59 | D | 98.3 | Very high | 98.1 | Very high | 138 Ų | 138 | 61 Ų | 61 | 74% | 0.738 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.1 | -26.7 | 179.6 | -71.3 | -14.1 | 0 | 0 | 0 | 112.9 | M55 E56 G61 | M55-D59 VanDerWaalsContact O-CG 3.31Å; M55-D59 PolarHBondContact O-N 3.4Å; E56-D59 PolarHBondContact O-N 2.98Å; D59-G61 PolarHBondContact O-N 2.99Å |
| 60 | C | 98.2 | Very high | 98.2 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 51% | 0.507 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -17.1 | 175.8 | -72.5 | 0 | 0 | 0 | 0 | 114 | E56 Q58 F62 | E56-C60 PolarHBondContact O-N 3.31Å; E56-C60 VanDerWaalsContact O-N 3.11Å; E56-C60 PolarHBondContact O-SG 3.33Å; Q58-C60 PolarHBondContact O-N 2.93Å; C60-F62 VanDerWaalsContact C-N 3.29Å; C60-F62 HydrophobicContact CB-CD1 4.46Å; C60-F62 HydrophobicContact CB-CD2 3.5Å; C60-F62 VanDerWaalsContact CB-CD2 3.5Å; C60-F62 HydrophobicContact CB-CE1 4.21Å; C60-F62 HydrophobicContact CB-CE2 3.22Å; C60-F62 HydrophobicContact CB-CG 4.14Å; C60-F62 HydrophobicContact CB-CZ 3.61Å; C60-F62 PolarHBondContact O-N 3.25Å |
| 61 | G | 96.8 | Very high | 98.2 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 33 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q58 D59 R63 | Q58-G61 PolarHBondContact O-N 3.43Å; Q58-G61 VanDerWaalsContact O-N 3.07Å; D59-G61 PolarHBondContact O-N 2.99Å; G61-R63 PolarHBondContact O-N 3Å |
| 62 | F | 97.7 | Very high | 98.1 | Very high | 55 Ų | 55 | 59.9 Ų | 59.9 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | trans | -64.4 | 115.5 | -177.2 | -69.4 | -58 | 0 | 0 | 0 | 112.2 | A25 R26 L57 C60 L64 L65 | A25-F62 HydrophobicContact CB-CB 4.18Å; A25-F62 HydrophobicContact CB-CD2 3.36Å; A25-F62 HydrophobicContact CB-CE2 3.77Å; A25-F62 HydrophobicContact CB-CG 3.81Å; R26-F62 HydrophobicContact CB-CD1 4Å; R26-F62 HydrophobicContact CB-CE1 3.79Å; L57-F62 HydrophobicContact CD2-CE2 4.2Å; C60-F62 VanDerWaalsContact C-N 3.29Å; C60-F62 HydrophobicContact CB-CD1 4.46Å; C60-F62 HydrophobicContact CB-CD2 3.5Å; C60-F62 VanDerWaalsContact CB-CD2 3.5Å; C60-F62 HydrophobicContact CB-CE1 4.21Å; C60-F62 HydrophobicContact CB-CE2 3.22Å; C60-F62 HydrophobicContact CB-CG 4.14Å; C60-F62 HydrophobicContact CB-CZ 3.61Å; C60-F62 PolarHBondContact O-N 3.25Å; F62-L64 PolarHBondContact O-N 3.43Å; F62-L64 VanDerWaalsContact O-N 3.13Å; F62-L65 HydrophobicContact CB-CB 3.88Å; F62-L65 PolarHBondContact O-N 2.9Å | ||
| 63 | R | 97.1 | Very high | 98.2 | Very high | 156 Ų | 156 | 62.3 Ų | 62.3 | 59% | 0.589 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -37.9 | 179.7 | -174.8 | -174.2 | 76.5 | 101.9 | -12.6 | 114.1 | P32 D33 G61 K66 | P32-R63 PolarHBondContact O-NH2 2.89Å; D33-R63 IonicContact OD1-NH2 3.62Å; D33-R63 PolarHBondContact OD1-NH2 2.87Å; G61-R63 PolarHBondContact O-N 3Å; R63-K66 VanDerWaalsContact O-CE 3.23Å; R63-K66 WeakPolarHBondContact O-CE 3.23Å; R63-K66 PolarHBondContact O-NZ 3.13Å |
| 64 | L | 98.1 | Very high | 98.1 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -20.2 | -173.3 | -61.9 | 177.2 | 0 | 0 | 0 | 113.1 | P32 E35 V36 F62 K66 | P32-L64 WeakPolarHBondContact O-CD1 3.21Å; E35-L64 WeakPolarHBondContact CA-O 3.46Å; V36-L64 PolarHBondContact N-O 3.14Å; F62-L64 PolarHBondContact O-N 3.43Å; F62-L64 VanDerWaalsContact O-N 3.13Å; L64-K66 PolarHBondContact O-N 3.32Å |
| 65 | L | 98.2 | Very high | 98.1 | Very high | 26 Ų | 26 | 67.6 Ų | 67.6 | 14% | 0.136 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 103.6 | -179.8 | -176.1 | 60.9 | 0 | 0 | 0 | 109.7 | A25 V36 L38 L57 F62 N67 V68 | A25-L65 HydrophobicContact CB-CB 4.13Å; A25-L65 HydrophobicContact CB-CD1 4.39Å; A25-L65 HydrophobicContact CB-CD2 3.98Å; A25-L65 HydrophobicContact CB-CG 4.41Å; V36-L65 HydrophobicContact CG2-CD1 4.14Å; L38-L65 HydrophobicContact CB-CD1 4.08Å; L38-L65 HydrophobicContact CD1-CD1 3.82Å; L38-L65 HydrophobicContact CG-CD1 4.02Å; L57-L65 HydrophobicContact CB-CD2 3.95Å; L57-L65 HydrophobicContact CD2-CD2 4.41Å; F62-L65 HydrophobicContact CB-CB 3.88Å; F62-L65 PolarHBondContact O-N 2.9Å; L65-N67 WeakPolarHBondContact CD1-O 3.48Å; L65-V68 HydrophobicContact CD1-CG2 4.12Å; L65-V68 HydrophobicContact CD2-CG2 3.75Å; L65-V68 HydrophobicContact CG-CG2 4.15Å |
| 66 | K | 97.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 65.7 Ų | 65.7 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -31.5 | -177.1 | -63.5 | -63.2 | 118 | 161.3 | 0 | 113.1 | P4 E35 V36 I37 R63 L64 | P4-K66 HydrophobicContact CB-CG 4.43Å; P4-K66 HydrophobicContact CG-CG 4.09Å; E35-K66 HydrophobicContact CB-CD 4.34Å; E35-K66 HydrophobicContact CB-CG 3.75Å; E35-K66 VanDerWaalsContact CD-CD 3.43Å; E35-K66 HydrophobicContact CG-CD 4.12Å; E35-K66 HydrophobicContact CG-CG 4.1Å; E35-K66 WeakPolarHBondContact OE1-CD 3.36Å; E35-K66 WeakPolarHBondContact OE1-CE 3.29Å; E35-K66 IonicContact OE1-NZ 3.16Å; E35-K66 PolarHBondContact OE1-NZ 2.84Å; E35-K66 WeakPolarHBondContact OE2-CD 3.4Å; V36-K66 PolarHBondContact O-N 3.3Å; I37-K66 HydrophobicContact CG1-CB 4.28Å; R63-K66 VanDerWaalsContact O-CE 3.23Å; R63-K66 WeakPolarHBondContact O-CE 3.23Å; R63-K66 PolarHBondContact O-NZ 3.13Å; L64-K66 PolarHBondContact O-N 3.32Å |
| 67 | N | 97.8 | Very high | 98.1 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 155.7 | 179.7 | -165.1 | 22 | 0 | 0 | 0 | 111.2 | I37 L38 L65 | I37-N67 WeakPolarHBondContact CA-O 3.45Å; I37-N67 HydrophobicContact CG1-CB 4.16Å; I37-N67 HydrophobicContact CG2-CB 4.08Å; L38-N67 PolarHBondContact N-O 2.54Å; L65-N67 WeakPolarHBondContact CD1-O 3.48Å |
| 68 | V | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.9 | 170.4 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | L38 L40 E54 L57 L65 V70 | L38-V68 CarbonylContact O-C 3.58Å; L38-V68 WeakPolarHBondContact O-CA 3.27Å; L40-V68 HydrophobicContact CD1-CG1 3.59Å; L40-V68 HydrophobicContact CG-CG1 3.89Å; E54-V68 HydrophobicContact CB-CG1 4.06Å; E54-V68 HydrophobicContact CG-CB 4.09Å; E54-V68 HydrophobicContact CG-CG1 3.96Å; L57-V68 HydrophobicContact CB-CG2 4.41Å; L57-V68 HydrophobicContact CD1-CG1 4.4Å; L57-V68 HydrophobicContact CD1-CG2 4.17Å; L65-V68 HydrophobicContact CD1-CG2 4.12Å; L65-V68 HydrophobicContact CD2-CG2 3.75Å; L65-V68 HydrophobicContact CG-CG2 4.15Å; V68-V70 HydrophobicContact CG1-CG2 4.21Å |
| 69 | V | 98.6 | Very high | 98.2 | Very high | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 109.9 | 177 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | I37 L38 H39 L40 V76 | I37-V69 HydrophobicContact CG2-CG2 4.29Å; L38-V69 PolarHBondContact O-N 3.29Å; H39-V69 CarbonylContact C-O 3.51Å; L40-V69 PolarHBondContact N-O 2.87Å; V69-V76 HydrophobicContact CG1-CG1 3.79Å |
| 70 | V | 98.7 | Very high | 98.2 | Very high | 35 Ų | 35 | 56.9 Ų | 56.9 | 21% | 0.212 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 122.9 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 109.9 | L40 V47 L50 K51 E54 V68 | L40-V70 HydrophobicContact CB-CG2 4.46Å; L40-V70 HydrophobicContact CD1-CG2 4.24Å; V47-V70 HydrophobicContact CG1-CG1 4.34Å; L50-V70 HydrophobicContact CB-CB 4.45Å; L50-V70 HydrophobicContact CB-CG1 3.44Å; L50-V70 VanDerWaalsContact CB-CG1 3.44Å; L50-V70 HydrophobicContact CB-CG2 4.25Å; L50-V70 HydrophobicContact CD1-CG1 4.02Å; L50-V70 HydrophobicContact CG-CG1 4.41Å; K51-V70 HydrophobicContact CG-CG1 4.32Å; E54-V70 HydrophobicContact CB-CG2 3.77Å; E54-V70 HydrophobicContact CG-CG2 4.33Å; V68-V70 HydrophobicContact CG1-CG2 4.21Å |
| 71 | T | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 157.9 | 178.3 | -167.2 | 0 | 0 | 0 | 0 | 113.6 | L40 F41 D42 I73 V76 A77 | L40-T71 PolarHBondContact O-N 3.15Å; L40-T71 VanDerWaalsContact O-N 3.09Å; F41-T71 WeakPolarHBondContact CA-O 3.34Å; F41-T71 HydrophobicContact CD2-CG2 4.45Å; D42-T71 PolarHBondContact N-O 3.15Å; T71-I73 WeakPolarHBondContact OG1-CB 3.4Å; T71-I73 PolarHBondContact OG1-N 3.07Å; T71-V76 HydrophobicContact CG2-CB 3.93Å; T71-V76 HydrophobicContact CG2-CG1 3.93Å; T71-A77 HydrophobicContact CG2-CB 3.62Å |
| 72 | H | 98.2 | Very high | 98.3 | Very high | 68 Ų | 68 | 51.3 Ų | 51.3 | 32% | 0.315 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -108.9 | 5.2 | 164.7 | 67.7 | -82.4 | 0 | 0 | 0 | 112 | F41 D42 E44 V47 P74 | F41-H72 VanDerWaalsContact CE2-C 3.49Å; F41-H72 WeakPolarHBondContact CE2-O 3.38Å; D42-H72 WeakPolarHBondContact O-CA 3.09Å; D42-H72 VanDerWaalsContact O-CB 3.25Å; D42-H72 WeakPolarHBondContact O-CB 3.41Å; E44-H72 HydrophobicContact CB-CB 4.32Å; V47-H72 HydrophobicContact CG2-CB 3.8Å; H72-P74 WeakPolarHBondContact O-CD 3.43Å |
| 73 | I | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 48.7 Ų | 48.7 | 41% | 0.405 | 24% | 0.243 | S | C | . | . | trans | -95.2 | 116.5 | -177 | -57 | 176.3 | 0 | 0 | 0 | 108.8 | T71 E75 V76 A77 | T71-I73 WeakPolarHBondContact OG1-CB 3.4Å; T71-I73 PolarHBondContact OG1-N 3.07Å; I73-E75 VanDerWaalsContact C-N 3.3Å; I73-E75 HydrophobicContact CG2-CB 4.23Å; I73-E75 PolarHBondContact O-N 3.21Å; I73-V76 HydrophobicContact CB-CB 4.42Å; I73-V76 HydrophobicContact CB-CG2 4.17Å; I73-V76 HydrophobicContact CG2-CG2 4.16Å; I73-V76 PolarHBondContact O-N 3.28Å; I73-V76 VanDerWaalsContact O-N 3.1Å; I73-A77 PolarHBondContact O-N 2.79Å | ||
| 74 | P | 98.1 | Very high | 98.5 | Very high | 59 Ų | 59 | 41.2 Ų | 41.2 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.6 | -38.3 | -177.3 | -27.8 | 35.7 | 0 | 0 | 0 | 114 | F41 H72 V76 A77 F78 A115 | F41-P74 HydrophobicContact CE2-CG 4.22Å; F41-P74 HydrophobicContact CZ-CG 4.23Å; H72-P74 WeakPolarHBondContact O-CD 3.43Å; P74-V76 VanDerWaalsContact C-N 3.29Å; P74-V76 PolarHBondContact O-N 3.31Å; P74-A77 PolarHBondContact O-N 3.37Å; P74-F78 HydrophobicContact CB-CD2 4.27Å; P74-F78 HydrophobicContact CB-CE2 4.44Å; P74-F78 WeakPolarHBondContact O-CB 3.45Å; P74-F78 WeakPolarHBondContact O-CD2 3.48Å; P74-F78 PolarHBondContact O-N 2.81Å; P74-A115 HydrophobicContact CB-CB 4.06Å |
| 75 | E | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 40.9 Ų | 40.9 | 50% | 0.495 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57 | -42.9 | 176.9 | 175 | 161.4 | 151.9 | 0 | 0 | 112.5 | I73 N79 Y119 | I73-E75 VanDerWaalsContact C-N 3.3Å; I73-E75 HydrophobicContact CG2-CB 4.23Å; I73-E75 PolarHBondContact O-N 3.21Å; E75-N79 WeakPolarHBondContact O-CB 3.36Å; E75-N79 PolarHBondContact O-N 2.85Å; E75-Y119 HydrophobicContact CB-CE1 3.95Å; E75-Y119 HydrophobicContact CB-CE2 4.01Å; E75-Y119 HydrophobicContact CG-CD1 4.06Å; E75-Y119 HydrophobicContact CG-CE1 3.49Å; E75-Y119 VanDerWaalsContact CG-CE1 3.49Å; E75-Y119 HydrophobicContact CG-CE2 4.46Å; E75-Y119 PolarHBondContact OE2-OH 3.41Å |
| 76 | V | 98.7 | Very high | 98.5 | Very high | 64 Ų | 64 | 39.6 Ų | 39.6 | 39% | 0.388 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -74 | -43.7 | 179.8 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | H39 V69 T71 I73 P74 | H39-V76 PolarHBondContact ND1-O 3.42Å; V69-V76 HydrophobicContact CG1-CG1 3.79Å; T71-V76 HydrophobicContact CG2-CB 3.93Å; T71-V76 HydrophobicContact CG2-CG1 3.93Å; I73-V76 HydrophobicContact CB-CB 4.42Å; I73-V76 HydrophobicContact CB-CG2 4.17Å; I73-V76 HydrophobicContact CG2-CG2 4.16Å; I73-V76 PolarHBondContact O-N 3.28Å; I73-V76 VanDerWaalsContact O-N 3.1Å; P74-V76 VanDerWaalsContact C-N 3.29Å; P74-V76 PolarHBondContact O-N 3.31Å |
| 77 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -42 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L8 H39 F41 T71 I73 P74 I81 | L8-A77 HydrophobicContact CD1-CB 3.91Å; H39-A77 PolarHBondContact ND1-O 3.06Å; F41-A77 HydrophobicContact CB-CB 3.77Å; F41-A77 HydrophobicContact CD2-CB 3.42Å; F41-A77 VanDerWaalsContact CD2-CB 3.42Å; F41-A77 HydrophobicContact CE2-CB 4.23Å; F41-A77 HydrophobicContact CG-CB 3.8Å; T71-A77 HydrophobicContact CG2-CB 3.62Å; I73-A77 PolarHBondContact O-N 2.79Å; P74-A77 PolarHBondContact O-N 3.37Å; A77-I81 WeakPolarHBondContact O-CG2 3.38Å |
| 78 | F | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -93.2 | -1.5 | -171.6 | -69.1 | -113.4 | 0 | 0 | 0 | 112.9 | L8 T10 F41 P74 Q80 I81 M86 Q112 A115 L116 Y119 A120 | L8-F78 HydrophobicContact CD1-CE2 4.48Å; L8-F78 HydrophobicContact CD2-CD1 3.61Å; L8-F78 HydrophobicContact CD2-CD2 3.98Å; L8-F78 HydrophobicContact CD2-CE1 3.39Å; L8-F78 HydrophobicContact CD2-CE2 3.8Å; L8-F78 HydrophobicContact CD2-CG 3.91Å; L8-F78 HydrophobicContact CD2-CZ 3.5Å; T10-F78 HydrophobicContact CG2-CZ 4.33Å; F41-F78 HydrophobicContact CD1-CE2 4.29Å; F41-F78 HydrophobicContact CE1-CE2 4.28Å; F41-F78 HydrophobicContact CG-CE2 4.47Å; F41-F78 HydrophobicContact CZ-CE2 4.42Å; P74-F78 HydrophobicContact CB-CD2 4.27Å; P74-F78 HydrophobicContact CB-CE2 4.44Å; P74-F78 WeakPolarHBondContact O-CB 3.45Å; P74-F78 WeakPolarHBondContact O-CD2 3.48Å; P74-F78 PolarHBondContact O-N 2.81Å; F78-Q80 PolarHBondContact O-N 2.93Å; F78-I81 HydrophobicContact CD1-CD1 4.41Å; F78-M86 HydrophobicContact CE1-CE 4.13Å; F78-M86 HydrophobicContact CZ-CE 4.2Å; F78-Q112 HydrophobicContact CE1-CB 4.25Å; F78-Q112 HydrophobicContact CZ-CB 4.05Å; F78-Q112 HydrophobicContact CZ-CG 3.98Å; F78-A115 HydrophobicContact CB-CB 4.32Å; F78-A115 HydrophobicContact CD1-CB 3.83Å; F78-A115 HydrophobicContact CD2-CB 4.08Å; F78-A115 HydrophobicContact CE1-CB 4.11Å; F78-A115 HydrophobicContact CE2-CB 4.36Å; F78-A115 HydrophobicContact CG-CB 3.82Å; F78-A115 HydrophobicContact CZ-CB 4.37Å; F78-L116 HydrophobicContact CD1-CB 4.44Å; F78-L116 HydrophobicContact CD1-CD2 3.71Å; F78-L116 HydrophobicContact CD1-CG 3.71Å; F78-L116 HydrophobicContact CE1-CD2 4.04Å; F78-L116 HydrophobicContact CE1-CG 3.77Å; F78-Y119 CarbonylContact O-C 3.39Å; F78-Y119 VanDerWaalsContact O-C 3.23Å; F78-A120 VanDerWaalsContact O-CA 3.3Å; F78-A120 WeakPolarHBondContact O-CA 3.41Å; F78-A120 PolarHBondContact O-N 3.27Å |
| 79 | N | 98.7 | Very high | 98.3 | Very high | 71 Ų | 71 | 33.6 Ų | 33.6 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 120.7 | -175.4 | -171.6 | 35.5 | 0 | 0 | 0 | 113.2 | E75 I81 | E75-N79 WeakPolarHBondContact O-CB 3.36Å; E75-N79 PolarHBondContact O-N 2.85Å; N79-I81 PolarHBondContact O-N 2.9Å; N79-I81 VanDerWaalsContact O-N 3.1Å |
| 80 | Q | 98.3 | Very high | 98 | Very high | 92 Ų | 92 | 35.1 Ų | 35.1 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 26.9 | 173.9 | -62.5 | -59.8 | -56.1 | 0 | 0 | 114.6 | R6 F78 Y119 K121 | R6-Q80 VanDerWaalsContact CD-O 3.22Å; R6-Q80 WeakPolarHBondContact CD-O 3.39Å; F78-Q80 PolarHBondContact O-N 2.93Å; Q80-Y119 PolarHBondContact N-O 3.2Å; Q80-K121 VanDerWaalsContact O-CE 3.29Å; Q80-K121 WeakPolarHBondContact O-CE 3.46Å |
| 81 | I | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -71.3 | 146.5 | -179.5 | 64.8 | 172.5 | 0 | 0 | 0 | 112.1 | R6 L8 A77 F78 N79 A84 L116 A120 K121 V124 | R6-I81 HydrophobicContact CB-CB 4.41Å; R6-I81 HydrophobicContact CB-CG2 4.3Å; L8-I81 HydrophobicContact CB-CD1 3.52Å; L8-I81 HydrophobicContact CB-CG2 4.21Å; L8-I81 HydrophobicContact CD2-CD1 3.66Å; L8-I81 HydrophobicContact CG-CD1 4.23Å; A77-I81 WeakPolarHBondContact O-CG2 3.38Å; F78-I81 HydrophobicContact CD1-CD1 4.41Å; N79-I81 PolarHBondContact O-N 2.9Å; N79-I81 VanDerWaalsContact O-N 3.1Å; I81-A84 HydrophobicContact CD1-CB 3.88Å; I81-L116 HydrophobicContact CD1-CD2 3.82Å; I81-A120 HydrophobicContact CD1-CB 4.2Å; I81-A120 HydrophobicContact CG1-CB 3.57Å; I81-K121 WeakPolarHBondContact O-CB 3.49Å; I81-K121 PolarHBondContact O-N 2.95Å; I81-V124 HydrophobicContact CD1-CG2 4.2Å; I81-V124 HydrophobicContact CG1-CG2 3.95Å | ||
| 82 | D | 98.7 | Very high | 96.7 | Very high | 20 Ų | 20 | 45 Ų | 45 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -100.5 | -31.3 | 178.8 | -66.6 | -75.9 | 0 | 0 | 0 | 111.8 | I5 R6 K121 V124 K125 W258 | I5-D82 HydrophobicContact CG2-CB 3.69Å; R6-D82 PolarHBondContact N-OD2 2.64Å; R6-D82 PolarHBondContact O-N 3.47Å; D82-K121 VanDerWaalsContact CG-NZ 3.27Å; D82-K121 WeakPolarHBondContact OD1-CD 3.29Å; D82-K121 WeakPolarHBondContact OD1-CE 3.26Å; D82-K121 IonicContact OD1-NZ 3.27Å; D82-K121 PolarHBondContact OD1-NZ 2.68Å; D82-K121 IonicContact OD2-NZ 2.96Å; D82-K121 PolarHBondContact OD2-NZ 2.71Å; D82-K121 VanDerWaalsContact OD2-NZ 3.1Å; D82-V124 VanDerWaalsContact O-CA 3.29Å; D82-V124 WeakPolarHBondContact O-CA 3.42Å; D82-K125 PolarHBondContact O-N 3.17Å; D82-W258 HydrophobicContact CB-CH2 4.08Å |
| 83 | A | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R6 V7 L8 F30 K125 M254 W258 | R6-A83 PolarHBondContact O-N 3.41Å; R6-A83 VanDerWaalsContact O-N 3.14Å; V7-A83 WeakPolarHBondContact CA-O 3.33Å; V7-A83 HydrophobicContact CG1-CB 4.34Å; V7-A83 HydrophobicContact CG2-CB 4.46Å; L8-A83 PolarHBondContact N-O 2.91Å; F30-A83 HydrophobicContact CE1-CB 4.33Å; F30-A83 HydrophobicContact CZ-CB 3.93Å; A83-K125 CarbonylContact C-O 3.23Å; A83-K125 WeakPolarHBondContact CA-O 3.49Å; A83-M254 HydrophobicContact CB-CE 3.75Å; A83-W258 HydrophobicContact CB-CZ3 4.1Å |
| 84 | A | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 117 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L8 I81 M86 L116 V124 K125 V126 V127 | L8-A84 HydrophobicContact CB-CB 4.34Å; L8-A84 HydrophobicContact CD2-CB 4.26Å; I81-A84 HydrophobicContact CD1-CB 3.88Å; A84-M86 HydrophobicContact CB-SD 3.78Å; A84-L116 HydrophobicContact CB-CD2 4.06Å; A84-V124 HydrophobicContact CB-CG2 4.22Å; A84-K125 PolarHBondContact N-O 3.13Å; A84-V126 HydrophobicContact CB-CB 4.41Å; A84-V126 HydrophobicContact CB-CG1 4.1Å; A84-V126 HydrophobicContact CB-CG2 4.12Å; A84-V126 WeakPolarHBondContact O-CA 3.46Å; A84-V127 PolarHBondContact O-N 3.49Å |
| 85 | L | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 94 | -179.8 | -44.9 | -178.9 | 0 | 0 | 0 | 107.9 | V7 L8 L9 T10 L20 V24 M29 V87 V127 V250 M254 | V7-L85 HydrophobicContact CG1-CD1 3.75Å; V7-L85 HydrophobicContact CG1-CG 3.96Å; L8-L85 WeakPolarHBondContact O-CB 3.49Å; L8-L85 WeakPolarHBondContact O-CG 3.31Å; L8-L85 PolarHBondContact O-N 3.1Å; L9-L85 HydrophobicContact CD1-CB 3.99Å; T10-L85 PolarHBondContact N-O 2.94Å; T10-L85 VanDerWaalsContact N-O 3.09Å; L20-L85 HydrophobicContact CD2-CB 4.27Å; L20-L85 HydrophobicContact CD2-CD1 3.77Å; L20-L85 HydrophobicContact CG-CD1 4.07Å; V24-L85 HydrophobicContact CG2-CD1 3.94Å; M29-L85 HydrophobicContact CE-CD1 3.8Å; M29-L85 HydrophobicContact SD-CD1 4.09Å; M29-L85 HydrophobicContact SD-CD2 4.49Å; L85-V87 PolarHBondContact O-N 3.24Å; L85-V87 VanDerWaalsContact O-N 3.11Å; L85-V127 HydrophobicContact CD2-CG1 3.61Å; L85-V250 HydrophobicContact CD2-CG1 3.99Å; L85-M254 HydrophobicContact CD2-CG 3.69Å; L85-M254 HydrophobicContact CD2-SD 4.15Å |
| 86 | M | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 80.2 | -170 | -45.6 | -61.3 | -67.9 | 0 | 0 | 110.4 | L8 T10 F78 A84 F109 Q112 V126 V127 V128 V129 G130 L140 | L8-M86 HydrophobicContact CD2-SD 4.19Å; T10-M86 HydrophobicContact CG2-CE 3.79Å; T10-M86 HydrophobicContact CG2-SD 3.9Å; T10-M86 WeakPolarHBondContact OG1-CA 3.4Å; F78-M86 HydrophobicContact CE1-CE 4.13Å; F78-M86 HydrophobicContact CZ-CE 4.2Å; A84-M86 HydrophobicContact CB-SD 3.78Å; M86-F109 HydrophobicContact CB-CE1 3.97Å; M86-Q112 HydrophobicContact CE-CB 3.85Å; M86-Q112 HydrophobicContact CE-CG 4.24Å; M86-V126 HydrophobicContact CG-CG1 3.68Å; M86-V126 HydrophobicContact SD-CG1 4.37Å; M86-V127 PolarHBondContact N-O 3.09Å; M86-V128 HydrophobicContact CB-CB 4.49Å; M86-V128 HydrophobicContact CB-CG2 4.11Å; M86-V128 HydrophobicContact CG-CG2 4.23Å; M86-V129 PolarHBondContact O-N 3.04Å; M86-G130 PolarHBondContact O-N 3.1Å; M86-G130 VanDerWaalsContact O-N 3.07Å; M86-L140 HydrophobicContact CE-CD1 4.12Å; M86-L140 HydrophobicContact CE-CD2 4.35Å; M86-L140 HydrophobicContact CG-CD2 3.97Å |
| 87 | V | 98.3 | Very high | 93.6 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 11% | 0.109 | 29% | 0.29 | C | S | . | . | trans | -92.4 | -37 | -175.7 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | L9 T10 I16 L20 L85 A89 V129 | L9-V87 HydrophobicContact CD1-CB 4.36Å; L9-V87 HydrophobicContact CD1-CG2 3.78Å; T10-V87 VanDerWaalsContact O-CB 3.32Å; T10-V87 WeakPolarHBondContact O-CB 3.46Å; T10-V87 PolarHBondContact OG1-N 3.23Å; I16-V87 HydrophobicContact CB-CG1 3.71Å; I16-V87 HydrophobicContact CD1-CG1 4.22Å; I16-V87 HydrophobicContact CG2-CG1 3.63Å; I16-V87 HydrophobicContact CG2-CG2 4.1Å; L20-V87 HydrophobicContact CD2-CG2 4.15Å; L85-V87 PolarHBondContact O-N 3.24Å; L85-V87 VanDerWaalsContact O-N 3.11Å; V87-A89 PolarHBondContact O-N 3.48Å; V87-V129 HydrophobicContact CG2-CB 4.07Å; V87-V129 HydrophobicContact CG2-CG1 4.45Å; V87-V129 HydrophobicContact CG2-CG2 4.06Å | ||
| 88 | G | 95.7 | Very high | 92.8 | Very high | 19 Ų | 19 | 61 Ų | 61 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | trans | -64.7 | 116.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T10 | T10-G88 PolarHBondContact O-N 2.98Å; T10-G88 PolarHBondContact OG1-N 3.47Å | ||
| 89 | A | 94.6 | Very high | 92.1 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 26% | 0.264 | 34% | 0.336 | S | S | . | . | trans | -142.8 | 158.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V87 P91 N105 F109 G130 | V87-A89 PolarHBondContact O-N 3.48Å; A89-P91 WeakPolarHBondContact O-CD 3.24Å; A89-N105 WeakPolarHBondContact CB-OD1 3.35Å; A89-F109 HydrophobicContact CB-CE2 4.14Å; A89-G130 VanDerWaalsContact CB-CA 3.5Å | ||
| 90 | M | 92 | Very high | 91.6 | Very high | 61 Ų | 61 | 67.4 Ų | 67.4 | 30% | 0.3 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 119.8 | 175 | -171.8 | 176.8 | -68 | 0 | 0 | 109.2 | M96 L101 A104 N105 I108 | M90-M96 HydrophobicContact SD-CE 4.06Å; M90-L101 WeakPolarHBondContact O-CD1 3.48Å; M90-A104 HydrophobicContact CE-CB 3.96Å; M90-A104 HydrophobicContact SD-CB 3.58Å; M90-A104 VanDerWaalsContact SD-CB 3.58Å; M90-N105 PolarHBondContact N-OD1 3.1Å; M90-N105 PolarHBondContact O-ND2 2.87Å; M90-I108 HydrophobicContact CB-CD1 3.98Å |
| 91 | P | 86.5 | Confident | 91.2 | Very high | 90 Ų | 90 | 64.5 Ų | 64.5 | 58% | 0.584 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 149.3 | 175.1 | 30.3 | -34.4 | 0 | 0 | 0 | 110.1 | A89 R93 | A89-P91 WeakPolarHBondContact O-CD 3.24Å; P91-R93 PolarHBondContact O-N 3.31Å |
| 92 | R | 83.8 | Confident | 90.8 | Very high | 164 Ų | 164 | 64.8 Ų | 64.8 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 123 | 171.4 | -167.9 | 176.5 | -177.2 | -177.2 | -0.9 | 109.7 | M96 L101 | R92-M96 HydrophobicContact CG-CB 4.42Å; R92-M96 PolarHBondContact NE-O 3.38Å; R92-M96 VanDerWaalsContact NE-O 3.11Å; R92-M96 PolarHBondContact NH2-O 3.16Å; R92-M96 VanDerWaalsContact NH2-O 3.1Å; R92-L101 HydrophobicContact CB-CD1 4.25Å; R92-L101 HydrophobicContact CB-CD2 3.94Å; R92-L101 HydrophobicContact CG-CD2 4.21Å |
| 93 | R | 85.4 | Confident | 90.4 | Very high | 166 Ų | 166 | 67.4 Ų | 67.4 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -94.7 | 157.9 | 173.5 | -61.9 | -176.8 | -177.9 | 179.9 | -0.3 | 110.3 | P91 G95 M96 | P91-R93 PolarHBondContact O-N 3.31Å; R93-G95 PolarHBondContact O-N 2.85Å; R93-M96 HydrophobicContact CB-CE 4.32Å; R93-M96 HydrophobicContact CG-CE 4.45Å; R93-M96 VanDerWaalsContact O-CB 3.24Å; R93-M96 WeakPolarHBondContact O-CB 3.49Å; R93-M96 PolarHBondContact O-N 2.76Å; R93-M96 VanDerWaalsContact O-N 3.11Å |
| 94 | E | 82.2 | Confident | 90.1 | Very high | 205 Ų | 205 | 68.6 Ų | 68.6 | 96% | 0.958 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 136 | 173.6 | -168.2 | 171.1 | -169.9 | 0 | 0 | 110.3 | M96 | E94-M96 VanDerWaalsContact C-N 3.26Å; E94-M96 PolarHBondContact O-N 3.12Å |
| 95 | G | 86.3 | Confident | 89.9 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 76% | 0.763 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -4.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | R93 | R93-G95 PolarHBondContact O-N 2.85Š|
| 96 | M | 85.9 | Confident | 89.6 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 17% | 0.167 | 36% | 0.357 | C | S | . | . | trans | -79.8 | 123.6 | 178.5 | -167.3 | 178.2 | -79.9 | 0 | 0 | 111.2 | M90 R92 R93 E94 D100 L101 | M90-M96 HydrophobicContact SD-CE 4.06Å; R92-M96 HydrophobicContact CG-CB 4.42Å; R92-M96 PolarHBondContact NE-O 3.38Å; R92-M96 VanDerWaalsContact NE-O 3.11Å; R92-M96 PolarHBondContact NH2-O 3.16Å; R92-M96 VanDerWaalsContact NH2-O 3.1Å; R93-M96 HydrophobicContact CB-CE 4.32Å; R93-M96 HydrophobicContact CG-CE 4.45Å; R93-M96 VanDerWaalsContact O-CB 3.24Å; R93-M96 WeakPolarHBondContact O-CB 3.49Å; R93-M96 PolarHBondContact O-N 2.76Å; R93-M96 VanDerWaalsContact O-N 3.11Å; E94-M96 VanDerWaalsContact C-N 3.26Å; E94-M96 PolarHBondContact O-N 3.12Å; M96-D100 HydrophobicContact CG-CB 3.66Å; M96-L101 HydrophobicContact CG-CB 4.33Å; M96-L101 HydrophobicContact SD-CB 3.85Å; M96-L101 HydrophobicContact SD-CD1 3.86Å; M96-L101 HydrophobicContact SD-CG 4.49Å | ||
| 97 | E | 86.8 | Confident | 89.5 | Confident | 126 Ų | 126 | 76 Ų | 76 | 59% | 0.589 | 39% | 0.385 | S | S | * | . | trans | -70.6 | 158.9 | 172.5 | -68.4 | -58.3 | 142 | 0 | 0 | 111.2 | K99 D100 L101 | E97-K99 VanDerWaalsContact C-N 3.25Å; E97-K99 PolarHBondContact O-N 3.18Å; E97-D100 WeakPolarHBondContact CB-OD2 3.36Å; E97-D100 PolarHBondContact N-OD2 3.18Å; E97-D100 PolarHBondContact O-N 3.26Å; E97-L101 PolarHBondContact O-N 3.37Å; E97-L101 VanDerWaalsContact O-N 3.15Å | ||
| 98 | R | 82.3 | Confident | 89.4 | Confident | 107 Ų | 107 | 77.2 Ų | 77.2 | 40% | 0.404 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56 | -43.4 | 178.1 | -174 | -178.5 | -173.6 | 164.4 | 10.1 | 110.9 | D100 L101 L102 E318 E322 | R98-D100 VanDerWaalsContact C-N 3.35Å; R98-D100 PolarHBondContact O-N 2.66Å; R98-L101 PolarHBondContact O-N 3.39Å; R98-L102 WeakPolarHBondContact O-CG 3.25Å; R98-L102 PolarHBondContact O-N 2.88Å; R98-E318 IonicContact CZ-OE1 3.1Å; R98-E318 IonicContact NH1-OE1 3.84Å; R98-E318 VanDerWaalsContact NH2-CD 3.35Å; R98-E318 IonicContact NH2-OE1 2.58Å; R98-E318 PolarHBondContact NH2-OE1 2.96Å; R98-E322 IonicContact CZ-OE1 3.96Å; R98-E322 IonicContact NE-OE1 3.13Å; R98-E322 IonicContact NH2-OE1 3.86Å; R98-E322 PolarHBondContact NH2-OE1 3.09Å |
| 99 | K | 84.7 | Confident | 89.5 | Confident | 130 Ų | 130 | 76.3 Ų | 76.3 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.7 | -39.3 | -179.7 | -170.8 | 180 | 179.9 | 179.2 | 0 | 112.5 | E97 L102 N103 | E97-K99 VanDerWaalsContact C-N 3.25Å; E97-K99 PolarHBondContact O-N 3.18Å; K99-L102 PolarHBondContact O-N 3.39Å; K99-N103 WeakPolarHBondContact O-CB 3.34Å; K99-N103 VanDerWaalsContact O-CG 3.24Å; K99-N103 PolarHBondContact O-N 2.95Å; K99-N103 PolarHBondContact O-ND2 3.5Å |
| 100 | D | 88.5 | Confident | 89.6 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 42% | 0.417 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 178.9 | -60.7 | -31.6 | 0 | 0 | 0 | 111 | M96 E97 R98 L102 N103 A104 | M96-D100 HydrophobicContact CG-CB 3.66Å; E97-D100 WeakPolarHBondContact CB-OD2 3.36Å; E97-D100 PolarHBondContact N-OD2 3.18Å; E97-D100 PolarHBondContact O-N 3.26Å; R98-D100 VanDerWaalsContact C-N 3.35Å; R98-D100 PolarHBondContact O-N 2.66Å; D100-L102 VanDerWaalsContact C-N 3.35Å; D100-L102 PolarHBondContact O-N 3.22Å; D100-N103 PolarHBondContact O-N 3.38Å; D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 3.13Å |
| 101 | L | 89.2 | Confident | 89.8 | Confident | 30 Ų | 30 | 81.5 Ų | 81.5 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | 174.8 | -178 | 67.2 | 0 | 0 | 0 | 111.9 | M90 R92 M96 E97 R98 N105 | M90-L101 WeakPolarHBondContact O-CD1 3.48Å; R92-L101 HydrophobicContact CB-CD1 4.25Å; R92-L101 HydrophobicContact CB-CD2 3.94Å; R92-L101 HydrophobicContact CG-CD2 4.21Å; M96-L101 HydrophobicContact CG-CB 4.33Å; M96-L101 HydrophobicContact SD-CB 3.85Å; M96-L101 HydrophobicContact SD-CD1 3.86Å; M96-L101 HydrophobicContact SD-CG 4.49Å; E97-L101 PolarHBondContact O-N 3.37Å; E97-L101 VanDerWaalsContact O-N 3.15Å; R98-L101 PolarHBondContact O-N 3.39Å; L101-N105 WeakPolarHBondContact CD1-ND2 3.44Å; L101-N105 PolarHBondContact O-N 3.45Å; L101-N105 VanDerWaalsContact O-N 3.14Å; L101-N105 PolarHBondContact O-ND2 3.1Å |
| 102 | L | 89.9 | Confident | 90.4 | Very high | 7 Ų | 7 | 78.2 Ų | 78.2 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.4 | -54.7 | 174.9 | -70.8 | -178.2 | 0 | 0 | 0 | 110.4 | R98 K99 D100 A104 N105 V106 P132 A325 | R98-L102 WeakPolarHBondContact O-CG 3.25Å; R98-L102 PolarHBondContact O-N 2.88Å; K99-L102 PolarHBondContact O-N 3.39Å; D100-L102 VanDerWaalsContact C-N 3.35Å; D100-L102 PolarHBondContact O-N 3.22Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.33Å; L102-N105 PolarHBondContact O-N 2.67Å; L102-V106 WeakPolarHBondContact O-CB 3.2Å; L102-V106 WeakPolarHBondContact O-CG2 3.38Å; L102-V106 PolarHBondContact O-N 3Å; L102-P132 HydrophobicContact CD2-CB 4.46Å; L102-P132 HydrophobicContact CD2-CG 3.58Å; L102-A325 HydrophobicContact CD1-CB 3.82Å |
| 103 | N | 90.5 | Very high | 91.1 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | -177.4 | -72.6 | -21.1 | 0 | 0 | 0 | 112.6 | K99 D100 K107 | K99-N103 WeakPolarHBondContact O-CB 3.34Å; K99-N103 VanDerWaalsContact O-CG 3.24Å; K99-N103 PolarHBondContact O-N 2.95Å; K99-N103 PolarHBondContact O-ND2 3.5Å; D100-N103 PolarHBondContact O-N 3.38Å; N103-K107 PolarHBondContact O-N 2.94Å; N103-K107 VanDerWaalsContact O-N 3.15Å |
| 104 | A | 93.6 | Very high | 91.7 | Very high | 25 Ų | 25 | 67 Ų | 67 | 21% | 0.207 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | M90 D100 L102 K107 I108 | M90-A104 HydrophobicContact CE-CB 3.96Å; M90-A104 HydrophobicContact SD-CB 3.58Å; M90-A104 VanDerWaalsContact SD-CB 3.58Å; D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 3.13Å; L102-A104 VanDerWaalsContact C-N 3.32Å; L102-A104 PolarHBondContact O-N 3.33Å; A104-K107 PolarHBondContact O-N 3.4Å; A104-I108 PolarHBondContact O-N 3.28Å |
| 105 | N | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71 | -39 | 178.1 | -77.8 | -67.9 | 0 | 0 | 0 | 112.3 | A89 M90 L101 L102 K107 I108 F109 N136 | A89-N105 WeakPolarHBondContact CB-OD1 3.35Å; M90-N105 PolarHBondContact N-OD1 3.1Å; M90-N105 PolarHBondContact O-ND2 2.87Å; L101-N105 WeakPolarHBondContact CD1-ND2 3.44Å; L101-N105 PolarHBondContact O-N 3.45Å; L101-N105 VanDerWaalsContact O-N 3.14Å; L101-N105 PolarHBondContact O-ND2 3.1Å; L102-N105 PolarHBondContact O-N 2.67Å; N105-K107 PolarHBondContact O-N 2.98Å; N105-I108 WeakPolarHBondContact O-CB 3.49Å; N105-I108 PolarHBondContact O-N 3.23Å; N105-F109 HydrophobicContact CB-CD2 4.47Å; N105-F109 WeakPolarHBondContact O-CD2 3.37Å; N105-F109 PolarHBondContact O-N 3.23Å; N105-N136 WeakPolarHBondContact CB-OD1 3.43Å |
| 106 | V | 93 | Very high | 93.1 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.5 | -39.9 | 174.6 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | L102 K110 A326 | L102-V106 WeakPolarHBondContact O-CB 3.2Å; L102-V106 WeakPolarHBondContact O-CG2 3.38Å; L102-V106 PolarHBondContact O-N 3Å; V106-K110 WeakPolarHBondContact O-CB 3.45Å; V106-K110 PolarHBondContact O-N 2.87Å; V106-A326 HydrophobicContact CG2-CB 3.75Å |
| 107 | K | 95.2 | Very high | 93.7 | Very high | 134 Ų | 134 | 54.4 Ų | 54.4 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62.1 | -48.2 | 174.5 | -175.8 | 179.9 | 174.6 | -174.6 | 0 | 112.2 | N103 A104 N105 F109 K110 E111 | N103-K107 PolarHBondContact O-N 2.94Å; N103-K107 VanDerWaalsContact O-N 3.15Å; A104-K107 PolarHBondContact O-N 3.4Å; N105-K107 PolarHBondContact O-N 2.98Å; K107-F109 PolarHBondContact O-N 3.1Å; K107-K110 PolarHBondContact O-N 2.79Å; K107-E111 WeakPolarHBondContact CE-OE1 3.28Å; K107-E111 PolarHBondContact O-N 3.02Å; K107-E111 VanDerWaalsContact O-N 3.11Å |
| 108 | I | 96.1 | Very high | 94.3 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -50.1 | 178.5 | -66 | 167.9 | 0 | 0 | 0 | 110.5 | M90 A104 N105 K110 E111 Q112 | M90-I108 HydrophobicContact CB-CD1 3.98Å; A104-I108 PolarHBondContact O-N 3.28Å; N105-I108 WeakPolarHBondContact O-CB 3.49Å; N105-I108 PolarHBondContact O-N 3.23Å; I108-K110 VanDerWaalsContact C-N 3.33Å; I108-K110 PolarHBondContact O-N 3.48Å; I108-E111 PolarHBondContact O-N 3.05Å; I108-Q112 WeakPolarHBondContact O-CG 3.38Å; I108-Q112 PolarHBondContact O-N 2.94Å |
| 109 | F | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -73.9 | -24.1 | -177.3 | -78.8 | -92.6 | 0 | 0 | 0 | 112.6 | M86 A89 N105 K107 G113 V128 N136 A139 L140 | M86-F109 HydrophobicContact CB-CE1 3.97Å; A89-F109 HydrophobicContact CB-CE2 4.14Å; N105-F109 HydrophobicContact CB-CD2 4.47Å; N105-F109 WeakPolarHBondContact O-CD2 3.37Å; N105-F109 PolarHBondContact O-N 3.23Å; K107-F109 PolarHBondContact O-N 3.1Å; F109-G113 PolarHBondContact O-N 2.97Å; F109-V128 HydrophobicContact CD1-CG1 4.44Å; F109-V128 HydrophobicContact CE1-CB 4.46Å; F109-V128 HydrophobicContact CE1-CG1 3.55Å; F109-V128 HydrophobicContact CE1-CG2 4.07Å; F109-V128 HydrophobicContact CZ-CG1 3.85Å; F109-N136 HydrophobicContact CD1-CB 3.83Å; F109-N136 HydrophobicContact CD2-CB 3.67Å; F109-N136 VanDerWaalsContact CD2-CG 3.44Å; F109-N136 HydrophobicContact CE1-CB 3.87Å; F109-N136 HydrophobicContact CE2-CB 3.71Å; F109-N136 VanDerWaalsContact CE2-CG 3.45Å; F109-N136 WeakPolarHBondContact CE2-ND2 3.36Å; F109-N136 HydrophobicContact CG-CB 3.74Å; F109-N136 HydrophobicContact CZ-CB 3.82Å; F109-A139 HydrophobicContact CB-CB 4.12Å; F109-L140 HydrophobicContact CB-CD1 4.49Å; F109-L140 HydrophobicContact CD1-CB 4.18Å; F109-L140 HydrophobicContact CD1-CD1 3.99Å; F109-L140 HydrophobicContact CD1-CD2 4.4Å; F109-L140 HydrophobicContact CD1-CG 4.45Å; F109-L140 VanDerWaalsContact O-CD1 3.32Å; F109-L140 WeakPolarHBondContact O-CD1 3.45Å |
| 110 | K | 96.5 | Very high | 95.7 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.1 | -51.8 | 167.5 | 167.7 | 167.4 | -174.8 | -176.9 | 0 | 111.5 | V106 K107 I108 Q112 G113 Q114 N143 | V106-K110 WeakPolarHBondContact O-CB 3.45Å; V106-K110 PolarHBondContact O-N 2.87Å; K107-K110 PolarHBondContact O-N 2.79Å; I108-K110 VanDerWaalsContact C-N 3.33Å; I108-K110 PolarHBondContact O-N 3.48Å; K110-Q112 PolarHBondContact O-N 2.91Å; K110-G113 PolarHBondContact O-N 3.36Å; K110-Q114 WeakPolarHBondContact O-CG 3.25Å; K110-Q114 PolarHBondContact O-N 2.62Å; K110-N143 WeakPolarHBondContact CG-OD1 3.3Å |
| 111 | E | 97.3 | Very high | 96.2 | Very high | 105 Ų | 105 | 44.9 Ų | 44.9 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.7 | -42.8 | -179.8 | -70 | 170.6 | -169.3 | 0 | 0 | 111.3 | K107 I108 G113 Q114 A115 | K107-E111 WeakPolarHBondContact CE-OE1 3.28Å; K107-E111 PolarHBondContact O-N 3.02Å; K107-E111 VanDerWaalsContact O-N 3.11Å; I108-E111 PolarHBondContact O-N 3.05Å; E111-G113 VanDerWaalsContact C-N 3.33Å; E111-G113 PolarHBondContact O-N 3.37Å; E111-Q114 PolarHBondContact O-N 3.25Å; E111-A115 PolarHBondContact O-N 3.36Å |
| 112 | Q | 98.4 | Very high | 96.7 | Very high | 21 Ų | 21 | 47.9 Ų | 47.9 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.5 | -32.7 | 175.4 | -68.3 | 176.8 | 0.4 | 0 | 0 | 112.6 | F78 M86 I108 K110 A115 L116 L140 | F78-Q112 HydrophobicContact CE1-CB 4.25Å; F78-Q112 HydrophobicContact CZ-CB 4.05Å; F78-Q112 HydrophobicContact CZ-CG 3.98Å; M86-Q112 HydrophobicContact CE-CB 3.85Å; M86-Q112 HydrophobicContact CE-CG 4.24Å; I108-Q112 WeakPolarHBondContact O-CG 3.38Å; I108-Q112 PolarHBondContact O-N 2.94Å; K110-Q112 PolarHBondContact O-N 2.91Å; Q112-A115 PolarHBondContact O-N 3.41Å; Q112-L116 WeakPolarHBondContact O-CG 3.39Å; Q112-L116 PolarHBondContact O-N 3.13Å; Q112-L140 HydrophobicContact CB-CD1 3.81Å |
| 113 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F109 K110 E111 A115 L116 D117 L140 N143 | F109-G113 PolarHBondContact O-N 2.97Å; K110-G113 PolarHBondContact O-N 3.36Å; E111-G113 VanDerWaalsContact C-N 3.33Å; E111-G113 PolarHBondContact O-N 3.37Å; G113-A115 VanDerWaalsContact C-N 3.31Å; G113-A115 PolarHBondContact O-N 2.99Å; G113-L116 WeakPolarHBondContact O-CB 3.42Å; G113-L116 PolarHBondContact O-N 3.12Å; G113-D117 WeakPolarHBondContact O-CB 3.44Å; G113-D117 PolarHBondContact O-N 3.11Å; G113-L140 VanDerWaalsContact N-CD1 3.28Å; G113-N143 CarbonylContact C-O 3.28Å; G113-N143 VanDerWaalsContact C-O 3.28Å |
| 114 | Q | 98.7 | Very high | 97.4 | Very high | 96 Ų | 96 | 48.6 Ų | 48.6 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.9 | -36.9 | 174 | -67.2 | 170.9 | -17.1 | 0 | 0 | 112.2 | K110 E111 D117 K118 N143 | K110-Q114 WeakPolarHBondContact O-CG 3.25Å; K110-Q114 PolarHBondContact O-N 2.62Å; E111-Q114 PolarHBondContact O-N 3.25Å; Q114-D117 PolarHBondContact O-N 3.07Å; Q114-K118 VanDerWaalsContact O-CB 3.3Å; Q114-K118 WeakPolarHBondContact O-CB 3.41Å; Q114-K118 PolarHBondContact O-N 3.06Å; Q114-N143 HydrophobicContact CG-CB 4.31Å; Q114-N143 PolarHBondContact N-O 3.29Å |
| 115 | A | 98.8 | Very high | 97.7 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P74 F78 E111 Q112 G113 K118 Y119 | P74-A115 HydrophobicContact CB-CB 4.06Å; F78-A115 HydrophobicContact CB-CB 4.32Å; F78-A115 HydrophobicContact CD1-CB 3.83Å; F78-A115 HydrophobicContact CD2-CB 4.08Å; F78-A115 HydrophobicContact CE1-CB 4.11Å; F78-A115 HydrophobicContact CE2-CB 4.36Å; F78-A115 HydrophobicContact CG-CB 3.82Å; F78-A115 HydrophobicContact CZ-CB 4.37Å; E111-A115 PolarHBondContact O-N 3.36Å; Q112-A115 PolarHBondContact O-N 3.41Å; G113-A115 VanDerWaalsContact C-N 3.31Å; G113-A115 PolarHBondContact O-N 2.99Å; A115-K118 PolarHBondContact O-N 3.02Å; A115-Y119 HydrophobicContact CB-CD2 4.39Å; A115-Y119 WeakPolarHBondContact O-CB 3.34Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 3.47Å |
| 116 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -50.7 | 171.9 | -76.2 | 168.2 | 0 | 0 | 0 | 110.8 | F78 I81 A84 Q112 G113 K118 A120 V124 V126 L140 I147 F152 | F78-L116 HydrophobicContact CD1-CB 4.44Å; F78-L116 HydrophobicContact CD1-CD2 3.71Å; F78-L116 HydrophobicContact CD1-CG 3.71Å; F78-L116 HydrophobicContact CE1-CD2 4.04Å; F78-L116 HydrophobicContact CE1-CG 3.77Å; I81-L116 HydrophobicContact CD1-CD2 3.82Å; A84-L116 HydrophobicContact CB-CD2 4.06Å; Q112-L116 WeakPolarHBondContact O-CG 3.39Å; Q112-L116 PolarHBondContact O-N 3.13Å; G113-L116 WeakPolarHBondContact O-CB 3.42Å; G113-L116 PolarHBondContact O-N 3.12Å; L116-K118 PolarHBondContact O-N 2.88Å; L116-A120 HydrophobicContact CD2-CB 3.98Å; L116-A120 VanDerWaalsContact O-CB 3.24Å; L116-A120 WeakPolarHBondContact O-CB 3.28Å; L116-A120 PolarHBondContact O-N 3.36Å; L116-V124 HydrophobicContact CD2-CG1 4.45Å; L116-V124 HydrophobicContact CD2-CG2 4.48Å; L116-V126 HydrophobicContact CD1-CG1 4.14Å; L116-V126 HydrophobicContact CD1-CG2 4.08Å; L116-V126 HydrophobicContact CD2-CG2 4.35Å; L116-L140 HydrophobicContact CD1-CD1 3.8Å; L116-L140 HydrophobicContact CD1-CD2 3.74Å; L116-L140 HydrophobicContact CD1-CG 3.75Å; L116-I147 HydrophobicContact CB-CD1 3.89Å; L116-F152 HydrophobicContact CD1-CE1 4.11Å |
| 117 | D | 98.8 | Very high | 98.2 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 22% | 0.219 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58 | -40 | -179.9 | -159 | 64.8 | 0 | 0 | 0 | 111.7 | G113 Q114 K122 A144 P145 S146 | G113-D117 WeakPolarHBondContact O-CB 3.44Å; G113-D117 PolarHBondContact O-N 3.11Å; Q114-D117 PolarHBondContact O-N 3.07Å; D117-K122 PolarHBondContact O-NZ 3.47Å; D117-A144 HydrophobicContact CB-CB 4.04Å; D117-A144 WeakPolarHBondContact OD1-CA 3.25Å; D117-P145 WeakPolarHBondContact OD1-CD 3.33Å; D117-S146 VanDerWaalsContact CG-OG 3.25Å; D117-S146 VanDerWaalsContact OD1-CB 3.27Å; D117-S146 WeakPolarHBondContact OD1-CB 3.37Å; D117-S146 PolarHBondContact OD1-N 2.99Å; D117-S146 PolarHBondContact OD1-OG 3.4Å |
| 118 | K | 98.7 | Very high | 98.4 | Very high | 146 Ų | 146 | 41.2 Ų | 41.2 | 64% | 0.635 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -80.1 | -41.9 | -175.9 | -171.3 | 173 | 174.5 | -162.2 | 0 | 113.3 | Q114 A115 L116 | Q114-K118 VanDerWaalsContact O-CB 3.3Å; Q114-K118 WeakPolarHBondContact O-CB 3.41Å; Q114-K118 PolarHBondContact O-N 3.06Å; A115-K118 PolarHBondContact O-N 3.02Å; L116-K118 PolarHBondContact O-N 2.88Å |
| 119 | Y | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 17% | 0.169 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -115.6 | -26.2 | -162.7 | -58.7 | -69 | 0 | 0 | 0 | 114.8 | E75 F78 Q80 A115 | E75-Y119 HydrophobicContact CB-CE1 3.95Å; E75-Y119 HydrophobicContact CB-CE2 4.01Å; E75-Y119 HydrophobicContact CG-CD1 4.06Å; E75-Y119 HydrophobicContact CG-CE1 3.49Å; E75-Y119 VanDerWaalsContact CG-CE1 3.49Å; E75-Y119 HydrophobicContact CG-CE2 4.46Å; E75-Y119 PolarHBondContact OE2-OH 3.41Å; F78-Y119 CarbonylContact O-C 3.39Å; F78-Y119 VanDerWaalsContact O-C 3.23Å; Q80-Y119 PolarHBondContact N-O 3.2Å; A115-Y119 HydrophobicContact CB-CD2 4.39Å; A115-Y119 WeakPolarHBondContact O-CB 3.34Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 3.47Å |
| 120 | A | 98.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -77.2 | 161.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | F78 I81 L116 V124 | F78-A120 VanDerWaalsContact O-CA 3.3Å; F78-A120 WeakPolarHBondContact O-CA 3.41Å; F78-A120 PolarHBondContact O-N 3.27Å; I81-A120 HydrophobicContact CD1-CB 4.2Å; I81-A120 HydrophobicContact CG1-CB 3.57Å; L116-A120 HydrophobicContact CD2-CB 3.98Å; L116-A120 VanDerWaalsContact O-CB 3.24Å; L116-A120 WeakPolarHBondContact O-CB 3.28Å; L116-A120 PolarHBondContact O-N 3.36Å; A120-V124 HydrophobicContact CB-CB 4.2Å; A120-V124 HydrophobicContact CB-CG1 4Å; A120-V124 HydrophobicContact CB-CG2 4.45Å |
| 121 | K | 98.7 | Very high | 98.3 | Very high | 47 Ų | 47 | 39.5 Ų | 39.5 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | trans | -62.9 | 142.9 | 166.4 | -65.9 | 176.6 | -177 | 174.2 | 0 | 108.5 | Q80 I81 D82 T123 V124 | Q80-K121 VanDerWaalsContact O-CE 3.29Å; Q80-K121 WeakPolarHBondContact O-CE 3.46Å; I81-K121 WeakPolarHBondContact O-CB 3.49Å; I81-K121 PolarHBondContact O-N 2.95Å; D82-K121 VanDerWaalsContact CG-NZ 3.27Å; D82-K121 WeakPolarHBondContact OD1-CD 3.29Å; D82-K121 WeakPolarHBondContact OD1-CE 3.26Å; D82-K121 IonicContact OD1-NZ 3.27Å; D82-K121 PolarHBondContact OD1-NZ 2.68Å; D82-K121 IonicContact OD2-NZ 2.96Å; D82-K121 PolarHBondContact OD2-NZ 2.71Å; D82-K121 VanDerWaalsContact OD2-NZ 3.1Å; K121-T123 PolarHBondContact O-N 3.2Å; K121-T123 VanDerWaalsContact O-N 3.13Å; K121-V124 WeakPolarHBondContact O-CB 3.19Å; K121-V124 WeakPolarHBondContact O-CG1 3.48Å; K121-V124 PolarHBondContact O-N 3.07Å | ||
| 122 | K | 98.4 | Very high | 98.2 | Very high | 93 Ų | 93 | 35.2 Ų | 35.2 | 40% | 0.404 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.4 | 178.2 | -51.3 | -52.6 | 177.9 | 180 | 0 | 113.1 | D117 V124 S146 I147 P148 | D117-K122 PolarHBondContact O-NZ 3.47Å; K122-V124 VanDerWaalsContact C-N 3.31Å; K122-S146 WeakPolarHBondContact CD-OG 3.45Å; K122-S146 WeakPolarHBondContact CE-OG 3.47Å; K122-S146 PolarHBondContact NZ-OG 3.07Å; K122-I147 HydrophobicContact CD-CG1 4.35Å; K122-P148 WeakPolarHBondContact O-CD 3.28Å |
| 123 | T | 98.2 | Very high | 98.1 | Very high | 96 Ų | 96 | 34.2 Ų | 34.2 | 59% | 0.589 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -1.1 | 173.9 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | K121 K125 | K121-T123 PolarHBondContact O-N 3.2Å; K121-T123 VanDerWaalsContact O-N 3.13Å; T123-K125 PolarHBondContact O-N 2.97Å |
| 124 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -52.9 | 136.1 | -177.2 | 65 | 0 | 0 | 0 | 0 | 110.9 | I81 D82 A84 L116 A120 K121 K122 V126 I147 N151 | I81-V124 HydrophobicContact CD1-CG2 4.2Å; I81-V124 HydrophobicContact CG1-CG2 3.95Å; D82-V124 VanDerWaalsContact O-CA 3.29Å; D82-V124 WeakPolarHBondContact O-CA 3.42Å; A84-V124 HydrophobicContact CB-CG2 4.22Å; L116-V124 HydrophobicContact CD2-CG1 4.45Å; L116-V124 HydrophobicContact CD2-CG2 4.48Å; A120-V124 HydrophobicContact CB-CB 4.2Å; A120-V124 HydrophobicContact CB-CG1 4Å; A120-V124 HydrophobicContact CB-CG2 4.45Å; K121-V124 WeakPolarHBondContact O-CB 3.19Å; K121-V124 WeakPolarHBondContact O-CG1 3.48Å; K121-V124 PolarHBondContact O-N 3.07Å; K122-V124 VanDerWaalsContact C-N 3.31Å; V124-V126 HydrophobicContact CG1-CG2 4Å; V124-V126 HydrophobicContact CG2-CG2 4.13Å; V124-I147 HydrophobicContact CG1-CD1 3.61Å; V124-I147 HydrophobicContact CG1-CG1 4.35Å; V124-I147 HydrophobicContact CG1-CG2 4.2Å; V124-N151 VanDerWaalsContact O-CB 3.24Å; V124-N151 WeakPolarHBondContact O-CB 3.47Å; V124-N151 PolarHBondContact O-ND2 3.49Å | ||
| 125 | K | 98.9 | Very high | 98.1 | Very high | 26 Ų | 26 | 29.8 Ų | 29.8 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 128.4 | 171.3 | -65.3 | -172.9 | 176.7 | -53.9 | 0 | 110.3 | D82 A83 A84 T123 M254 W257 W258 G294 | D82-K125 PolarHBondContact O-N 3.17Å; A83-K125 CarbonylContact C-O 3.23Å; A83-K125 WeakPolarHBondContact CA-O 3.49Å; A84-K125 PolarHBondContact N-O 3.13Å; T123-K125 PolarHBondContact O-N 2.97Å; K125-M254 HydrophobicContact CB-CE 4.21Å; K125-W257 HydrophobicContact CB-CD2 4.38Å; K125-W257 HydrophobicContact CB-CE3 4.1Å; K125-W257 HydrophobicContact CB-CH2 3.99Å; K125-W257 HydrophobicContact CB-CZ2 4.24Å; K125-W257 HydrophobicContact CB-CZ3 3.9Å; K125-W257 HydrophobicContact CD-CD2 3.77Å; K125-W257 HydrophobicContact CD-CE3 4.3Å; K125-W257 HydrophobicContact CD-CG 4.04Å; K125-W257 HydrophobicContact CD-CZ2 4.18Å; K125-W257 HydrophobicContact CG-CD2 4.43Å; K125-W257 HydrophobicContact CG-CH2 4.36Å; K125-W257 HydrophobicContact CG-CZ2 4.11Å; K125-W258 HydrophobicContact CB-CZ3 4.06Å; K125-W258 HydrophobicContact CD-CE3 3.76Å; K125-W258 HydrophobicContact CD-CZ3 3.75Å; K125-W258 HydrophobicContact CG-CZ3 4.06Å; K125-G294 WeakPolarHBondContact CE-O 3.4Å; K125-G294 PolarHBondContact NZ-O 3.32Å |
| 126 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 121.6 | -168.9 | -172.4 | 0 | 0 | 0 | 0 | 109.9 | A84 M86 L116 V124 L140 N151 F152 S153 | A84-V126 HydrophobicContact CB-CB 4.41Å; A84-V126 HydrophobicContact CB-CG1 4.1Å; A84-V126 HydrophobicContact CB-CG2 4.12Å; A84-V126 WeakPolarHBondContact O-CA 3.46Å; M86-V126 HydrophobicContact CG-CG1 3.68Å; M86-V126 HydrophobicContact SD-CG1 4.37Å; L116-V126 HydrophobicContact CD1-CG1 4.14Å; L116-V126 HydrophobicContact CD1-CG2 4.08Å; L116-V126 HydrophobicContact CD2-CG2 4.35Å; V124-V126 HydrophobicContact CG1-CG2 4Å; V124-V126 HydrophobicContact CG2-CG2 4.13Å; V126-L140 HydrophobicContact CG1-CD2 3.41Å; V126-L140 VanDerWaalsContact CG1-CD2 3.41Å; V126-N151 WeakPolarHBondContact CB-O 3.23Å; V126-N151 PolarHBondContact N-O 3.04Å; V126-F152 HydrophobicContact CB-CD1 3.93Å; V126-F152 HydrophobicContact CB-CE1 4.26Å; V126-F152 HydrophobicContact CG1-CD1 4.13Å; V126-F152 HydrophobicContact CG1-CE1 4.41Å; V126-F152 HydrophobicContact CG2-CD1 4.16Å; V126-F152 HydrophobicContact CG2-CE1 4Å; V126-S153 PolarHBondContact O-N 2.93Å; V126-S153 PolarHBondContact O-OG 3.43Å |
| 127 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.6 | 172.6 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | A84 L85 M86 L155 V250 M254 | A84-V127 PolarHBondContact O-N 3.49Å; L85-V127 HydrophobicContact CD2-CG1 3.61Å; M86-V127 PolarHBondContact N-O 3.09Å; V127-L155 HydrophobicContact CG2-CB 4.27Å; V127-L155 HydrophobicContact CG2-CD1 4.23Å; V127-V250 HydrophobicContact CG1-CG1 4.03Å; V127-M254 HydrophobicContact CB-SD 4.22Å; V127-M254 HydrophobicContact CG1-CG 4.06Å; V127-M254 HydrophobicContact CG1-SD 3.76Å |
| 128 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 127.3 | 174.8 | -177 | 0 | 0 | 0 | 0 | 111.3 | M86 F109 A133 N136 A137 L140 S153 A154 L155 | M86-V128 HydrophobicContact CB-CB 4.49Å; M86-V128 HydrophobicContact CB-CG2 4.11Å; M86-V128 HydrophobicContact CG-CG2 4.23Å; F109-V128 HydrophobicContact CD1-CG1 4.44Å; F109-V128 HydrophobicContact CE1-CB 4.46Å; F109-V128 HydrophobicContact CE1-CG1 3.55Å; F109-V128 HydrophobicContact CE1-CG2 4.07Å; F109-V128 HydrophobicContact CZ-CG1 3.85Å; V128-A133 HydrophobicContact CG1-CB 4.47Å; V128-A133 WeakPolarHBondContact CG1-O 3.16Å; V128-N136 HydrophobicContact CG1-CB 3.8Å; V128-A137 HydrophobicContact CB-CB 3.93Å; V128-A137 HydrophobicContact CG2-CB 3.66Å; V128-L140 HydrophobicContact CG2-CD2 3.82Å; V128-S153 PolarHBondContact N-O 3.07Å; V128-A154 HydrophobicContact CB-CB 4.43Å; V128-A154 WeakPolarHBondContact O-CA 3.36Å; V128-L155 WeakPolarHBondContact O-CB 3.4Å; V128-L155 PolarHBondContact O-N 3.27Å |
| 129 | V | 98.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 20.7 Ų | 20.7 | 9% | 0.085 | 11% | 0.107 | C | C | . | . | trans | -116.8 | -36 | -178.6 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | M86 V87 N131 L155 V250 | M86-V129 PolarHBondContact O-N 3.04Å; V87-V129 HydrophobicContact CG2-CB 4.07Å; V87-V129 HydrophobicContact CG2-CG1 4.45Å; V87-V129 HydrophobicContact CG2-CG2 4.06Å; V129-N131 PolarHBondContact O-N 3.16Å; V129-L155 HydrophobicContact CB-CD2 4.47Å; V129-L155 HydrophobicContact CG1-CD2 3.86Å; V129-L155 HydrophobicContact CG2-CB 4.36Å; V129-L155 HydrophobicContact CG2-CD2 4.18Å; V129-V250 HydrophobicContact CB-CG2 4.49Å; V129-V250 HydrophobicContact CG1-CG2 4.21Å; V129-V250 HydrophobicContact CG2-CG1 4.49Å; V129-V250 HydrophobicContact CG2-CG2 3.46Å; V129-V250 VanDerWaalsContact CG2-CG2 3.46Å | ||
| 130 | G | 96.2 | Very high | 97.9 | Very high | 6 Ų | 6 | 18.6 Ų | 18.6 | 6% | 0.062 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -63.6 | 127.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M86 A89 A133 N136 | M86-G130 PolarHBondContact O-N 3.1Å; M86-G130 VanDerWaalsContact O-N 3.07Å; A89-G130 VanDerWaalsContact CB-CA 3.5Å; G130-A133 WeakPolarHBondContact O-CA 3.27Å; G130-N136 PolarHBondContact O-ND2 3.11Å |
| 131 | N | 94 | Very high | 97.9 | Very high | 83 Ų | 83 | 18.8 Ų | 18.8 | 44% | 0.444 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -77 | 148.6 | -173.5 | -81.9 | -34.2 | 0 | 0 | 0 | 114.2 | V129 A133 N136 H187 | V129-N131 PolarHBondContact O-N 3.16Å; N131-A133 PolarHBondContact OD1-N 3.48Å; N131-N136 PolarHBondContact O-ND2 3.03Å; N131-N136 VanDerWaalsContact O-ND2 3.16Å; N131-H187 PolarHBondContact OD1-CD2 2.83Å; N131-H187 VanDerWaalsContact OD1-CD2 3.22Å |
| 132 | P | 95.3 | Very high | 97.8 | Very high | 15 Ų | 15 | 20.4 Ų | 20.4 | 10% | 0.097 | 11% | 0.106 | C | C | . | . | S | Bend | cis | -73.5 | 113.9 | -6.2 | 32.1 | -38.2 | 0 | 0 | 0 | 112.4 | L102 N134 T135 N136 | L102-P132 HydrophobicContact CD2-CB 4.46Å; L102-P132 HydrophobicContact CD2-CG 3.58Å; P132-N134 PolarHBondContact O-N 3.05Å; P132-T135 PolarHBondContact O-N 3.15Å; P132-N136 WeakPolarHBondContact O-CB 3.44Å; P132-N136 PolarHBondContact O-N 3.02Å; P132-N136 PolarHBondContact O-ND2 2.97Å |
| 133 | A | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.5 | -44.8 | -163 | 0 | 0 | 0 | 0 | 0 | 113.1 | V128 G130 N131 A137 A154 H187 | V128-A133 HydrophobicContact CG1-CB 4.47Å; V128-A133 WeakPolarHBondContact CG1-O 3.16Å; G130-A133 WeakPolarHBondContact O-CA 3.27Å; N131-A133 PolarHBondContact OD1-N 3.48Å; A133-A137 WeakPolarHBondContact O-CB 3.32Å; A133-A137 PolarHBondContact O-N 3.42Å; A133-A154 HydrophobicContact CB-CB 3.97Å; A133-A154 WeakPolarHBondContact O-CB 3.33Å; A133-H187 HydrophobicContact CB-CB 4.35Å |
| 134 | N | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.4 | -52.4 | -179.8 | -66 | 59 | 0 | 0 | 0 | 112 | P132 N136 A137 L138 G185 N186 H187 S270 I284 L319 | P132-N134 PolarHBondContact O-N 3.05Å; N134-N136 VanDerWaalsContact C-N 3.35Å; N134-N136 PolarHBondContact O-N 3.34Å; N134-A137 PolarHBondContact O-N 2.58Å; N134-L138 PolarHBondContact O-N 3.49Å; N134-G185 PolarHBondContact ND2-O 3.22Å; N134-N186 WeakPolarHBondContact CB-OD1 3.41Å; N134-N186 VanDerWaalsContact CG-OD1 3.22Å; N134-N186 PolarHBondContact OD1-OD1 3.13Å; N134-H187 WeakPolarHBondContact OD1-CB 3.4Å; N134-H187 PolarHBondContact OD1-N 3.45Å; N134-S270 PolarHBondContact ND2-OG 3.18Å; N134-I284 HydrophobicContact CB-CB 4.4Å; N134-I284 HydrophobicContact CB-CG2 4.39Å; N134-I284 WeakPolarHBondContact CB-O 3.31Å; N134-I284 PolarHBondContact ND2-O 3.18Å; N134-I284 WeakPolarHBondContact O-CB 3.36Å; N134-L319 HydrophobicContact CB-CD2 3.56Å |
| 135 | T | 97.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.3 | -35 | -178.8 | -57.4 | 0 | 0 | 0 | 0 | 112 | P132 L138 A139 E322 A326 L328 | P132-T135 PolarHBondContact O-N 3.15Å; T135-L138 WeakPolarHBondContact O-CB 3.19Å; T135-L138 PolarHBondContact O-N 3.11Å; T135-A139 PolarHBondContact O-N 2.91Å; T135-E322 HydrophobicContact CG2-CB 4.41Å; T135-E322 WeakPolarHBondContact OG1-CB 3.34Å; T135-E322 PolarHBondContact OG1-OE2 3.24Å; T135-A326 HydrophobicContact CG2-CB 3.77Å; T135-L328 HydrophobicContact CG2-CD1 3.93Å |
| 136 | N | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 172.8 | -74.2 | -13.2 | 0 | 0 | 0 | 112 | N105 F109 V128 G130 N131 P132 N134 L138 A139 L140 | N105-N136 WeakPolarHBondContact CB-OD1 3.43Å; F109-N136 HydrophobicContact CD1-CB 3.83Å; F109-N136 HydrophobicContact CD2-CB 3.67Å; F109-N136 VanDerWaalsContact CD2-CG 3.44Å; F109-N136 HydrophobicContact CE1-CB 3.87Å; F109-N136 HydrophobicContact CE2-CB 3.71Å; F109-N136 VanDerWaalsContact CE2-CG 3.45Å; F109-N136 WeakPolarHBondContact CE2-ND2 3.36Å; F109-N136 HydrophobicContact CG-CB 3.74Å; F109-N136 HydrophobicContact CZ-CB 3.82Å; V128-N136 HydrophobicContact CG1-CB 3.8Å; G130-N136 PolarHBondContact O-ND2 3.11Å; N131-N136 PolarHBondContact O-ND2 3.03Å; N131-N136 VanDerWaalsContact O-ND2 3.16Å; P132-N136 WeakPolarHBondContact O-CB 3.44Å; P132-N136 PolarHBondContact O-N 3.02Å; P132-N136 PolarHBondContact O-ND2 2.97Å; N134-N136 VanDerWaalsContact C-N 3.35Å; N134-N136 PolarHBondContact O-N 3.34Å; N136-L138 VanDerWaalsContact C-N 3.31Å; N136-L138 PolarHBondContact O-N 2.96Å; N136-A139 PolarHBondContact O-N 2.73Å; N136-L140 WeakPolarHBondContact O-CB 3.44Å; N136-L140 PolarHBondContact O-N 3.18Å |
| 137 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V128 A133 N134 L140 M141 A154 I284 | V128-A137 HydrophobicContact CB-CB 3.93Å; V128-A137 HydrophobicContact CG2-CB 3.66Å; A133-A137 WeakPolarHBondContact O-CB 3.32Å; A133-A137 PolarHBondContact O-N 3.42Å; N134-A137 PolarHBondContact O-N 2.58Å; A137-L140 PolarHBondContact O-N 2.91Å; A137-M141 WeakPolarHBondContact O-CB 3.23Å; A137-M141 PolarHBondContact O-N 3.47Å; A137-A154 HydrophobicContact CB-CB 3.94Å; A137-I284 HydrophobicContact CB-CB 4.39Å; A137-I284 HydrophobicContact CB-CG1 3.91Å; A137-I284 HydrophobicContact CB-CG2 4.08Å |
| 138 | L | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 174.7 | -177.5 | 59.5 | 0 | 0 | 0 | 111.4 | N134 T135 N136 L140 M141 K142 I284 R323 L328 | N134-L138 PolarHBondContact O-N 3.49Å; T135-L138 WeakPolarHBondContact O-CB 3.19Å; T135-L138 PolarHBondContact O-N 3.11Å; N136-L138 VanDerWaalsContact C-N 3.31Å; N136-L138 PolarHBondContact O-N 2.96Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-L140 PolarHBondContact O-N 3.41Å; L138-M141 HydrophobicContact CD1-CE 3.6Å; L138-M141 PolarHBondContact O-N 3.15Å; L138-K142 HydrophobicContact CD1-CG 4.33Å; L138-K142 WeakPolarHBondContact O-CB 3.45Å; L138-K142 WeakPolarHBondContact O-CG 3.44Å; L138-K142 PolarHBondContact O-N 2.93Å; L138-I284 HydrophobicContact CB-CG1 3.97Å; L138-R323 HydrophobicContact CD2-CB 4.22Å; L138-R323 HydrophobicContact CD2-CG 3.74Å; L138-L328 HydrophobicContact CB-CD1 4.28Å; L138-L328 HydrophobicContact CD2-CB 4.02Å; L138-L328 HydrophobicContact CD2-CD1 4.15Å; L138-L328 HydrophobicContact CG-CB 4.36Å; L138-L328 HydrophobicContact CG-CD1 4.12Å |
| 139 | A | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F109 T135 N136 K142 N143 L328 | F109-A139 HydrophobicContact CB-CB 4.12Å; T135-A139 PolarHBondContact O-N 2.91Å; N136-A139 PolarHBondContact O-N 2.73Å; A139-K142 PolarHBondContact O-N 3.42Å; A139-N143 PolarHBondContact O-N 3.36Å; A139-N143 PolarHBondContact O-ND2 3.09Å; A139-L328 HydrophobicContact CB-CD1 3.86Å; A139-L328 HydrophobicContact CB-CD2 4.12Å |
| 140 | L | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.3 | -51 | 178.4 | -164.9 | 73.9 | 0 | 0 | 0 | 111.1 | M86 F109 Q112 G113 L116 V126 V128 N136 A137 L138 K142 N143 A144 F152 | M86-L140 HydrophobicContact CE-CD1 4.12Å; M86-L140 HydrophobicContact CE-CD2 4.35Å; M86-L140 HydrophobicContact CG-CD2 3.97Å; F109-L140 HydrophobicContact CB-CD1 4.49Å; F109-L140 HydrophobicContact CD1-CB 4.18Å; F109-L140 HydrophobicContact CD1-CD1 3.99Å; F109-L140 HydrophobicContact CD1-CD2 4.4Å; F109-L140 HydrophobicContact CD1-CG 4.45Å; F109-L140 VanDerWaalsContact O-CD1 3.32Å; F109-L140 WeakPolarHBondContact O-CD1 3.45Å; Q112-L140 HydrophobicContact CB-CD1 3.81Å; G113-L140 VanDerWaalsContact N-CD1 3.28Å; L116-L140 HydrophobicContact CD1-CD1 3.8Å; L116-L140 HydrophobicContact CD1-CD2 3.74Å; L116-L140 HydrophobicContact CD1-CG 3.75Å; V126-L140 HydrophobicContact CG1-CD2 3.41Å; V126-L140 VanDerWaalsContact CG1-CD2 3.41Å; V128-L140 HydrophobicContact CG2-CD2 3.82Å; N136-L140 WeakPolarHBondContact O-CB 3.44Å; N136-L140 PolarHBondContact O-N 3.18Å; A137-L140 PolarHBondContact O-N 2.91Å; L138-L140 VanDerWaalsContact C-N 3.34Å; L138-L140 PolarHBondContact O-N 3.41Å; L140-K142 PolarHBondContact O-N 3.36Å; L140-N143 PolarHBondContact O-N 3.48Å; L140-A144 PolarHBondContact O-N 3.45Å; L140-F152 HydrophobicContact CD2-CD1 4.07Å; L140-F152 HydrophobicContact CD2-CE1 4.14Å; L140-F152 HydrophobicContact CG-CD1 4.27Å; L140-F152 HydrophobicContact CG-CE1 4.04Å |
| 141 | M | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 4% | 0.044 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 178.9 | -178.3 | -171.9 | 65 | 0 | 0 | 112 | A137 L138 N143 A144 K149 F152 I272 I284 | A137-M141 WeakPolarHBondContact O-CB 3.23Å; A137-M141 PolarHBondContact O-N 3.47Å; L138-M141 HydrophobicContact CD1-CE 3.6Å; L138-M141 PolarHBondContact O-N 3.15Å; M141-N143 PolarHBondContact O-N 3.04Å; M141-A144 PolarHBondContact O-N 3.34Å; M141-A144 VanDerWaalsContact O-N 3.08Å; M141-K149 HydrophobicContact CG-CB 4.42Å; M141-K149 HydrophobicContact CG-CG 4.24Å; M141-K149 HydrophobicContact SD-CB 3.59Å; M141-K149 VanDerWaalsContact SD-CB 3.59Å; M141-K149 HydrophobicContact SD-CD 4.16Å; M141-K149 HydrophobicContact SD-CG 3.71Å; M141-F152 HydrophobicContact CB-CB 4.01Å; M141-F152 HydrophobicContact CB-CD1 4.02Å; M141-F152 HydrophobicContact CB-CD2 3.81Å; M141-F152 HydrophobicContact CB-CE1 4.48Å; M141-F152 HydrophobicContact CB-CE2 4.28Å; M141-F152 HydrophobicContact CB-CG 3.67Å; M141-F152 HydrophobicContact CG-CB 4.27Å; M141-F152 HydrophobicContact CG-CD2 3.57Å; M141-F152 HydrophobicContact CG-CE2 4.04Å; M141-F152 HydrophobicContact CG-CG 3.93Å; M141-F152 HydrophobicContact SD-CD2 4.49Å; M141-I272 HydrophobicContact CE-CD1 3.63Å; M141-I272 HydrophobicContact CE-CG1 4.24Å; M141-I272 HydrophobicContact SD-CB 4.29Å; M141-I272 HydrophobicContact SD-CD1 4.27Å; M141-I272 HydrophobicContact SD-CG1 4.28Å; M141-I284 HydrophobicContact CE-CD1 4.47Å; M141-I284 HydrophobicContact SD-CD1 4.41Å |
| 142 | K | 97.6 | Very high | 98.1 | Very high | 80 Ų | 80 | 27.9 Ų | 27.9 | 35% | 0.348 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.3 | -25.8 | 179.6 | -78 | -160.1 | 170.1 | -158.1 | 0 | 113.1 | L138 A139 L140 L328 E329 | L138-K142 HydrophobicContact CD1-CG 4.33Å; L138-K142 WeakPolarHBondContact O-CB 3.45Å; L138-K142 WeakPolarHBondContact O-CG 3.44Å; L138-K142 PolarHBondContact O-N 2.93Å; A139-K142 PolarHBondContact O-N 3.42Å; L140-K142 PolarHBondContact O-N 3.36Å; K142-L328 HydrophobicContact CD-CB 4.45Å; K142-L328 HydrophobicContact CD-CD2 4.32Å; K142-L328 WeakPolarHBondContact CE-O 3.5Å; K142-L328 VanDerWaalsContact NZ-C 3.29Å; K142-L328 PolarHBondContact NZ-O 2.81Å; K142-E329 PolarHBondContact NZ-O 2.73Å; K142-E329 PolarHBondContact NZ-OXT 3.4Å |
| 143 | N | 98.3 | Very high | 98.3 | Very high | 37 Ų | 37 | 27.2 Ų | 27.2 | 20% | 0.198 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 9.3 | 177.9 | -70.7 | -81.9 | 0 | 0 | 0 | 113.3 | K110 G113 Q114 A139 L140 M141 | K110-N143 WeakPolarHBondContact CG-OD1 3.3Å; G113-N143 CarbonylContact C-O 3.28Å; G113-N143 VanDerWaalsContact C-O 3.28Å; Q114-N143 HydrophobicContact CG-CB 4.31Å; Q114-N143 PolarHBondContact N-O 3.29Å; A139-N143 PolarHBondContact O-N 3.36Å; A139-N143 PolarHBondContact O-ND2 3.09Å; L140-N143 PolarHBondContact O-N 3.48Å; M141-N143 PolarHBondContact O-N 3.04Å |
| 144 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -130.9 | 60 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D117 L140 M141 S146 I147 F152 | D117-A144 HydrophobicContact CB-CB 4.04Å; D117-A144 WeakPolarHBondContact OD1-CA 3.25Å; L140-A144 PolarHBondContact O-N 3.45Å; M141-A144 PolarHBondContact O-N 3.34Å; M141-A144 VanDerWaalsContact O-N 3.08Å; A144-S146 PolarHBondContact O-N 3.46Å; A144-S146 VanDerWaalsContact O-N 3.13Å; A144-I147 HydrophobicContact CB-CD1 4.16Å; A144-I147 PolarHBondContact O-N 3.39Å; A144-I147 VanDerWaalsContact O-N 3.1Å; A144-F152 HydrophobicContact CB-CE1 4.26Å; A144-F152 HydrophobicContact CB-CE2 4.45Å; A144-F152 HydrophobicContact CB-CZ 3.59Å | ||
| 145 | P | 98.3 | Very high | 98.4 | Very high | 108 Ų | 108 | 27.4 Ų | 27.4 | 70% | 0.701 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.6 | -170.2 | 29.1 | -37.7 | 0 | 0 | 0 | 114.7 | D117 I147 | D117-P145 WeakPolarHBondContact OD1-CD 3.33Å; P145-I147 VanDerWaalsContact C-N 3.35Å |
| 146 | S | 98.6 | Very high | 98.4 | Very high | 51 Ų | 51 | 27.2 Ų | 27.2 | 36% | 0.357 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.5 | 177.6 | 71.5 | 0 | 0 | 0 | 0 | 113.7 | D117 K122 A144 | D117-S146 VanDerWaalsContact CG-OG 3.25Å; D117-S146 VanDerWaalsContact OD1-CB 3.27Å; D117-S146 WeakPolarHBondContact OD1-CB 3.37Å; D117-S146 PolarHBondContact OD1-N 2.99Å; D117-S146 PolarHBondContact OD1-OG 3.4Å; K122-S146 WeakPolarHBondContact CD-OG 3.45Å; K122-S146 WeakPolarHBondContact CE-OG 3.47Å; K122-S146 PolarHBondContact NZ-OG 3.07Å; A144-S146 PolarHBondContact O-N 3.46Å; A144-S146 VanDerWaalsContact O-N 3.13Å |
| 147 | I | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -97.2 | 133.6 | 176.5 | -61.8 | 172.4 | 0 | 0 | 0 | 108.2 | L116 K122 V124 A144 P145 K149 N151 F152 | L116-I147 HydrophobicContact CB-CD1 3.89Å; K122-I147 HydrophobicContact CD-CG1 4.35Å; V124-I147 HydrophobicContact CG1-CD1 3.61Å; V124-I147 HydrophobicContact CG1-CG1 4.35Å; V124-I147 HydrophobicContact CG1-CG2 4.2Å; A144-I147 HydrophobicContact CB-CD1 4.16Å; A144-I147 PolarHBondContact O-N 3.39Å; A144-I147 VanDerWaalsContact O-N 3.1Å; P145-I147 VanDerWaalsContact C-N 3.35Å; I147-K149 PolarHBondContact O-N 3.25Å; I147-N151 HydrophobicContact CG2-CB 3.94Å; I147-F152 HydrophobicContact CB-CE2 3.71Å; I147-F152 HydrophobicContact CB-CZ 3.82Å; I147-F152 HydrophobicContact CD1-CZ 4.12Å; I147-F152 HydrophobicContact CG2-CD2 4.36Å; I147-F152 HydrophobicContact CG2-CE2 3.41Å; I147-F152 VanDerWaalsContact CG2-CE2 3.41Å; I147-F152 HydrophobicContact CG2-CZ 3.7Å |
| 148 | P | 98.5 | Very high | 98.5 | Very high | 50 Ų | 50 | 28.9 Ų | 28.9 | 33% | 0.325 | 15% | 0.153 | S | C | . | . | trans | -55.1 | 136.7 | 177.3 | -24 | 33.5 | 0 | 0 | 0 | 112 | K122 E150 N151 | K122-P148 WeakPolarHBondContact O-CD 3.28Å; P148-E150 HydrophobicContact CB-CG 4.19Å; P148-E150 WeakPolarHBondContact CB-OE1 3.29Å; P148-E150 WeakPolarHBondContact CB-OE2 3.47Å; P148-E150 PolarHBondContact O-N 3Å; P148-N151 WeakPolarHBondContact O-CB 3.26Å; P148-N151 PolarHBondContact O-N 2.68Å | ||
| 149 | K | 98.3 | Very high | 98.5 | Very high | 109 Ų | 109 | 28.8 Ų | 28.8 | 47% | 0.474 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -59 | -32.7 | -176.5 | -67.7 | -174.3 | 178 | -177.7 | 0 | 112.1 | M141 I147 N151 F152 I272 D282 | M141-K149 HydrophobicContact CG-CB 4.42Å; M141-K149 HydrophobicContact CG-CG 4.24Å; M141-K149 HydrophobicContact SD-CB 3.59Å; M141-K149 VanDerWaalsContact SD-CB 3.59Å; M141-K149 HydrophobicContact SD-CD 4.16Å; M141-K149 HydrophobicContact SD-CG 3.71Å; I147-K149 PolarHBondContact O-N 3.25Å; K149-N151 PolarHBondContact O-N 2.85Å; K149-F152 PolarHBondContact O-N 3.17Å; K149-I272 HydrophobicContact CB-CG2 4.17Å; K149-D282 IonicContact NZ-OD1 3.92Å |
| 150 | E | 98.2 | Very high | 98.6 | Very high | 99 Ų | 99 | 28.9 Ų | 28.9 | 46% | 0.463 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -66.1 | -13.7 | 178.2 | 66.7 | -90.6 | -150.6 | 0 | 0 | 114.3 | P148 F152 W257 W296 | P148-E150 HydrophobicContact CB-CG 4.19Å; P148-E150 WeakPolarHBondContact CB-OE1 3.29Å; P148-E150 WeakPolarHBondContact CB-OE2 3.47Å; P148-E150 PolarHBondContact O-N 3Å; E150-F152 VanDerWaalsContact C-N 3.29Å; E150-W257 WeakPolarHBondContact O-CZ2 3.31Å; E150-W296 HydrophobicContact CB-CZ2 3.7Å; E150-W296 PolarHBondContact O-NE1 3.27Å |
| 151 | N | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 30.6 Ų | 30.6 | 8% | 0.08 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -87.1 | 4.4 | 177.2 | -79.1 | -7.5 | 0 | 0 | 0 | 113.7 | V124 V126 I147 P148 K149 W257 | V124-N151 VanDerWaalsContact O-CB 3.24Å; V124-N151 WeakPolarHBondContact O-CB 3.47Å; V124-N151 PolarHBondContact O-ND2 3.49Å; V126-N151 WeakPolarHBondContact CB-O 3.23Å; V126-N151 PolarHBondContact N-O 3.04Å; I147-N151 HydrophobicContact CG2-CB 3.94Å; P148-N151 WeakPolarHBondContact O-CB 3.26Å; P148-N151 PolarHBondContact O-N 2.68Å; K149-N151 PolarHBondContact O-N 2.85Å; N151-W257 WeakPolarHBondContact O-CH2 3.09Å |
| 152 | F | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.7 | 173.3 | -63 | -91.3 | 0 | 0 | 0 | 110.6 | L116 V126 L140 M141 A144 I147 K149 E150 | L116-F152 HydrophobicContact CD1-CE1 4.11Å; V126-F152 HydrophobicContact CB-CD1 3.93Å; V126-F152 HydrophobicContact CB-CE1 4.26Å; V126-F152 HydrophobicContact CG1-CD1 4.13Å; V126-F152 HydrophobicContact CG1-CE1 4.41Å; V126-F152 HydrophobicContact CG2-CD1 4.16Å; V126-F152 HydrophobicContact CG2-CE1 4Å; L140-F152 HydrophobicContact CD2-CD1 4.07Å; L140-F152 HydrophobicContact CD2-CE1 4.14Å; L140-F152 HydrophobicContact CG-CD1 4.27Å; L140-F152 HydrophobicContact CG-CE1 4.04Å; M141-F152 HydrophobicContact CB-CB 4.01Å; M141-F152 HydrophobicContact CB-CD1 4.02Å; M141-F152 HydrophobicContact CB-CD2 3.81Å; M141-F152 HydrophobicContact CB-CE1 4.48Å; M141-F152 HydrophobicContact CB-CE2 4.28Å; M141-F152 HydrophobicContact CB-CG 3.67Å; M141-F152 HydrophobicContact CG-CB 4.27Å; M141-F152 HydrophobicContact CG-CD2 3.57Å; M141-F152 HydrophobicContact CG-CE2 4.04Å; M141-F152 HydrophobicContact CG-CG 3.93Å; M141-F152 HydrophobicContact SD-CD2 4.49Å; A144-F152 HydrophobicContact CB-CE1 4.26Å; A144-F152 HydrophobicContact CB-CE2 4.45Å; A144-F152 HydrophobicContact CB-CZ 3.59Å; I147-F152 HydrophobicContact CB-CE2 3.71Å; I147-F152 HydrophobicContact CB-CZ 3.82Å; I147-F152 HydrophobicContact CD1-CZ 4.12Å; I147-F152 HydrophobicContact CG2-CD2 4.36Å; I147-F152 HydrophobicContact CG2-CE2 3.41Å; I147-F152 VanDerWaalsContact CG2-CE2 3.41Å; I147-F152 HydrophobicContact CG2-CZ 3.7Å; K149-F152 PolarHBondContact O-N 3.17Å; E150-F152 VanDerWaalsContact C-N 3.29Å |
| 153 | S | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 163.5 | 174.1 | 74.9 | 0 | 0 | 0 | 0 | 111.9 | V126 V128 H253 W257 S270 | V126-S153 PolarHBondContact O-N 2.93Å; V126-S153 PolarHBondContact O-OG 3.43Å; V128-S153 PolarHBondContact N-O 3.07Å; S153-H253 PolarHBondContact OG-CE1 2.95Å; S153-H253 PolarHBondContact OG-NE2 2.85Å; S153-W257 WeakPolarHBondContact OG-CZ3 3.4Å; S153-S270 CarbonylContact C-O 3.48Å; S153-S270 WeakPolarHBondContact CA-O 3.45Å; S153-S270 VanDerWaalsContact CB-O 3.31Å; S153-S270 WeakPolarHBondContact CB-O 3.5Å |
| 154 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 153.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V128 A133 A137 T156 S270 I284 | V128-A154 HydrophobicContact CB-CB 4.43Å; V128-A154 WeakPolarHBondContact O-CA 3.36Å; A133-A154 HydrophobicContact CB-CB 3.97Å; A133-A154 WeakPolarHBondContact O-CB 3.33Å; A137-A154 HydrophobicContact CB-CB 3.94Å; A154-T156 PolarHBondContact O-N 2.9Å; A154-S270 PolarHBondContact N-O 3.49Å; A154-S270 VanDerWaalsContact O-CB 3.31Å; A154-S270 WeakPolarHBondContact O-CB 3.5Å; A154-S270 PolarHBondContact O-N 2.85Å; A154-I284 HydrophobicContact CB-CG2 3.91Å |
| 155 | L | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | trans | -83.2 | 106.3 | -169.8 | -170.1 | 77.9 | 0 | 0 | 0 | 112.6 | V127 V128 V129 R157 V250 H253 | V127-L155 HydrophobicContact CG2-CB 4.27Å; V127-L155 HydrophobicContact CG2-CD1 4.23Å; V128-L155 WeakPolarHBondContact O-CB 3.4Å; V128-L155 PolarHBondContact O-N 3.27Å; V129-L155 HydrophobicContact CB-CD2 4.47Å; V129-L155 HydrophobicContact CG1-CD2 3.86Å; V129-L155 HydrophobicContact CG2-CB 4.36Å; V129-L155 HydrophobicContact CG2-CD2 4.18Å; L155-R157 HydrophobicContact CD1-CB 3.86Å; L155-V250 HydrophobicContact CD1-CG2 4.06Å; L155-V250 HydrophobicContact CD2-CG2 3.62Å; L155-V250 HydrophobicContact CG-CG2 4.46Å; L155-H253 HydrophobicContact CD1-CB 3.88Å | ||
| 156 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -111.6 | 4.8 | 162.1 | 43.2 | 0 | 0 | 0 | 0 | 112.8 | A154 L158 D159 H160 I183 H187 S270 S286 | A154-T156 PolarHBondContact O-N 2.9Å; T156-L158 PolarHBondContact O-N 2.94Å; T156-D159 PolarHBondContact O-N 3.22Å; T156-D159 VanDerWaalsContact O-N 3.12Å; T156-H160 PolarHBondContact O-N 2.87Å; T156-I183 HydrophobicContact CG2-CG2 4.2Å; T156-H187 HydrophobicContact CG2-CB 3.96Å; T156-S270 VanDerWaalsContact CG2-OG 3.27Å; T156-S270 WeakPolarHBondContact CG2-OG 3.4Å; T156-S270 PolarHBondContact OG1-N 2.77Å; T156-S270 PolarHBondContact OG1-OG 2.96Å; T156-S286 WeakPolarHBondContact CB-OG 3.3Å; T156-S286 PolarHBondContact OG1-OG 3.07Å | ||
| 157 | R | 98.8 | Very high | 98.6 | Very high | 23 Ų | 23 | 25 Ų | 25 | 9% | 0.087 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.1 | -28.7 | 179.8 | -172.6 | 56.8 | 175.3 | -88.7 | 7.7 | 112.8 | L155 H160 N161 S249 D252 H253 D256 | L155-R157 HydrophobicContact CD1-CB 3.86Å; R157-H160 PolarHBondContact O-N 3.25Å; R157-N161 WeakPolarHBondContact CD-OD1 3.35Å; R157-N161 PolarHBondContact NE-OD1 3.43Å; R157-N161 WeakPolarHBondContact O-CB 3.42Å; R157-N161 PolarHBondContact O-N 2.74Å; R157-N161 PolarHBondContact O-OD1 3.47Å; R157-S249 WeakPolarHBondContact CG-O 3.22Å; R157-D252 HydrophobicContact CG-CB 4.01Å; R157-D252 VanDerWaalsContact NH1-C 3.32Å; R157-D252 PolarHBondContact NH1-O 3.27Å; R157-D252 VanDerWaalsContact NH1-O 3.07Å; R157-H253 HydrophobicContact CB-CB 4.09Å; R157-H253 HydrophobicContact CG-CB 4.3Å; R157-D256 IonicContact CZ-OD2 2.54Å; R157-D256 IonicContact NH1-OD2 2.79Å; R157-D256 PolarHBondContact NH1-OD2 3.45Å; R157-D256 IonicContact NH2-OD2 3.5Å; R157-D256 PolarHBondContact NH2-OD2 2.85Å |
| 158 | L | 98.7 | Very high | 98.6 | Very high | 12 Ų | 12 | 24.7 Ų | 24.7 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -43.7 | 174.1 | -178.5 | 52.7 | 0 | 0 | 0 | 111.3 | T156 N161 R162 A246 S249 | T156-L158 PolarHBondContact O-N 2.94Å; L158-N161 PolarHBondContact O-N 2.62Å; L158-R162 HydrophobicContact CD1-CG 4.39Å; L158-R162 WeakPolarHBondContact O-CB 3.47Å; L158-R162 WeakPolarHBondContact O-CD 3.34Å; L158-R162 WeakPolarHBondContact O-CG 3.26Å; L158-R162 PolarHBondContact O-N 3.49Å; L158-A246 HydrophobicContact CD2-CB 4.21Å; L158-S249 WeakPolarHBondContact CB-OG 3.35Å |
| 159 | D | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.4 | -40.3 | 178.9 | -58 | -48 | 0 | 0 | 0 | 111.2 | T156 R162 A163 I183 H187 Q191 | T156-D159 PolarHBondContact O-N 3.22Å; T156-D159 VanDerWaalsContact O-N 3.12Å; D159-R162 WeakPolarHBondContact O-CB 3.12Å; D159-R162 PolarHBondContact O-N 2.98Å; D159-R162 IonicContact OD1-NH1 2.84Å; D159-R162 PolarHBondContact OD1-NH1 3.34Å; D159-R162 VanDerWaalsContact OD1-NH1 3.16Å; D159-A163 PolarHBondContact O-N 3.18Å; D159-I183 HydrophobicContact CB-CD1 3.88Å; D159-I183 HydrophobicContact CB-CG1 3.9Å; D159-I183 HydrophobicContact CB-CG2 4.15Å; D159-H187 IonicContact OD1-CE1 2.78Å; D159-H187 IonicContact OD1-ND1 3.6Å; D159-H187 IonicContact OD2-CE1 3.4Å; D159-H187 PolarHBondContact OD2-CE1 2.83Å; D159-H187 VanDerWaalsContact OD2-CE1 3.27Å; D159-H187 IonicContact OD2-CG 3.31Å; D159-H187 IonicContact OD2-ND1 3.41Å; D159-H187 PolarHBondContact OD2-ND1 2.79Å; D159-Q191 VanDerWaalsContact CG-OE1 3.26Å; D159-Q191 PolarHBondContact OD1-NE2 3.45Å |
| 160 | H | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.7 | -51.6 | 172.2 | 179.8 | 102.7 | 0 | 0 | 0 | 111.6 | T156 R157 R162 A163 Q164 C181 I183 W266 S268 | T156-H160 PolarHBondContact O-N 2.87Å; R157-H160 PolarHBondContact O-N 3.25Å; H160-R162 VanDerWaalsContact C-N 3.27Å; H160-R162 PolarHBondContact O-N 2.98Å; H160-A163 WeakPolarHBondContact O-CB 3.24Å; H160-A163 PolarHBondContact O-N 3.48Å; H160-A163 VanDerWaalsContact O-N 3.13Å; H160-Q164 PolarHBondContact CD2-OE1 2.9Å; H160-Q164 VanDerWaalsContact NE2-CD 3.31Å; H160-Q164 PolarHBondContact NE2-OE1 2.59Å; H160-Q164 PolarHBondContact O-N 2.86Å; H160-C181 PolarHBondContact CE1-O 3.46Å; H160-C181 PolarHBondContact ND1-O 2.9Å; H160-I183 HydrophobicContact CB-CG1 3.93Å; H160-W266 PolarHBondContact CE1-O 3.32Å; H160-S268 PolarHBondContact ND1-OG 2.7Å; H160-S268 VanDerWaalsContact ND1-OG 3.1Å |
| 161 | N | 98.6 | Very high | 98.5 | Very high | 35 Ų | 35 | 28.7 Ų | 28.7 | 19% | 0.187 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63 | -35 | 179.1 | -70.1 | 3.9 | 0 | 0 | 0 | 111.5 | R157 L158 S165 D252 | R157-N161 WeakPolarHBondContact CD-OD1 3.35Å; R157-N161 PolarHBondContact NE-OD1 3.43Å; R157-N161 WeakPolarHBondContact O-CB 3.42Å; R157-N161 PolarHBondContact O-N 2.74Å; R157-N161 PolarHBondContact O-OD1 3.47Å; L158-N161 PolarHBondContact O-N 2.62Å; N161-S165 WeakPolarHBondContact O-CB 3.46Å; N161-S165 PolarHBondContact O-N 3.21Å; N161-D252 PolarHBondContact ND2-OD2 3.43Å |
| 162 | R | 98.5 | Very high | 98.4 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 11% | 0.113 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.6 | -45 | 173.5 | -73.5 | 163.3 | 169.7 | 167.9 | -1.2 | 111.2 | L158 D159 H160 S165 F166 I227 R230 S242 | L158-R162 HydrophobicContact CD1-CG 4.39Å; L158-R162 WeakPolarHBondContact O-CB 3.47Å; L158-R162 WeakPolarHBondContact O-CD 3.34Å; L158-R162 WeakPolarHBondContact O-CG 3.26Å; L158-R162 PolarHBondContact O-N 3.49Å; D159-R162 WeakPolarHBondContact O-CB 3.12Å; D159-R162 PolarHBondContact O-N 2.98Å; D159-R162 IonicContact OD1-NH1 2.84Å; D159-R162 PolarHBondContact OD1-NH1 3.34Å; D159-R162 VanDerWaalsContact OD1-NH1 3.16Å; H160-R162 VanDerWaalsContact C-N 3.27Å; H160-R162 PolarHBondContact O-N 2.98Å; R162-S165 PolarHBondContact O-N 2.96Å; R162-F166 VanDerWaalsContact O-CD2 3.3Å; R162-F166 WeakPolarHBondContact O-CD2 3.4Å; R162-F166 PolarHBondContact O-N 3.4Å; R162-I227 HydrophobicContact CB-CD1 3.95Å; R162-I227 HydrophobicContact CB-CG2 4.33Å; R162-R230 HydrophobicContact CG-CG 4.01Å; R162-S242 PolarHBondContact NH2-OG 3.21Å |
| 163 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.3 | -51.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D159 H160 S165 F166 I167 C181 I183 V193 F223 | D159-A163 PolarHBondContact O-N 3.18Å; H160-A163 WeakPolarHBondContact O-CB 3.24Å; H160-A163 PolarHBondContact O-N 3.48Å; H160-A163 VanDerWaalsContact O-N 3.13Å; A163-S165 VanDerWaalsContact C-N 3.33Å; A163-S165 PolarHBondContact O-N 3.12Å; A163-F166 PolarHBondContact O-N 3.46Å; A163-I167 WeakPolarHBondContact O-CG1 3.35Å; A163-I167 PolarHBondContact O-N 3.33Å; A163-I167 VanDerWaalsContact O-N 3.08Å; A163-C181 HydrophobicContact CB-CB 4.2Å; A163-I183 HydrophobicContact CB-CD1 4.41Å; A163-V193 HydrophobicContact CB-CG1 3.63Å; A163-F223 HydrophobicContact CB-CE2 4.47Å; A163-F223 HydrophobicContact CB-CZ 3.89Å |
| 164 | Q | 98.3 | Very high | 98.3 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 16% | 0.164 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.7 | -46.9 | 175.9 | -71.6 | 178.2 | -57.7 | 0 | 0 | 111.9 | H160 F166 I167 A168 V178 C181 | H160-Q164 PolarHBondContact CD2-OE1 2.9Å; H160-Q164 VanDerWaalsContact NE2-CD 3.31Å; H160-Q164 PolarHBondContact NE2-OE1 2.59Å; H160-Q164 PolarHBondContact O-N 2.86Å; Q164-F166 PolarHBondContact O-N 2.85Å; Q164-I167 PolarHBondContact O-N 3.01Å; Q164-A168 VanDerWaalsContact O-CB 3.26Å; Q164-A168 WeakPolarHBondContact O-CB 3.41Å; Q164-A168 PolarHBondContact O-N 3.4Å; Q164-V178 HydrophobicContact CG-CG1 4.39Å; Q164-V178 PolarHBondContact NE2-O 3.34Å; Q164-C181 HydrophobicContact CG-CB 4.11Å |
| 165 | S | 98.2 | Very high | 98.1 | Very high | 54 Ų | 54 | 39 Ų | 39 | 38% | 0.378 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.2 | -39.7 | -179.4 | 178 | 0 | 0 | 0 | 0 | 113 | N161 R162 A163 K169 | N161-S165 WeakPolarHBondContact O-CB 3.46Å; N161-S165 PolarHBondContact O-N 3.21Å; R162-S165 PolarHBondContact O-N 2.96Å; A163-S165 VanDerWaalsContact C-N 3.33Å; A163-S165 PolarHBondContact O-N 3.12Å; S165-K169 VanDerWaalsContact O-CB 3.31Å; S165-K169 WeakPolarHBondContact O-CB 3.46Å; S165-K169 PolarHBondContact O-N 3.41Å |
| 166 | F | 98.2 | Very high | 98 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 21% | 0.211 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -43.2 | 178.4 | -92.7 | -115.5 | 0 | 0 | 0 | 112 | R162 A163 Q164 R170 F223 A226 I227 | R162-F166 VanDerWaalsContact O-CD2 3.3Å; R162-F166 WeakPolarHBondContact O-CD2 3.4Å; R162-F166 PolarHBondContact O-N 3.4Å; A163-F166 PolarHBondContact O-N 3.46Å; Q164-F166 PolarHBondContact O-N 2.85Å; F166-R170 WeakPolarHBondContact O-CB 3.35Å; F166-R170 PolarHBondContact O-N 3.01Å; F166-F223 HydrophobicContact CB-CD2 3.97Å; F166-F223 HydrophobicContact CB-CE2 3.77Å; F166-A226 HydrophobicContact CD1-CB 4.23Å; F166-A226 HydrophobicContact CE1-CB 3.56Å; F166-A226 HydrophobicContact CZ-CB 4.22Å; F166-I227 HydrophobicContact CB-CD1 4.04Å; F166-I227 HydrophobicContact CD1-CD1 4.21Å; F166-I227 HydrophobicContact CD2-CD1 3.69Å; F166-I227 HydrophobicContact CE2-CD1 4.15Å; F166-I227 HydrophobicContact CG-CD1 3.71Å |
| 167 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -49.5 | 175.2 | -68.1 | 161.6 | 0 | 0 | 0 | 110.3 | A163 Q164 K169 R170 L171 V178 C181 V195 V209 I213 F223 | A163-I167 WeakPolarHBondContact O-CG1 3.35Å; A163-I167 PolarHBondContact O-N 3.33Å; A163-I167 VanDerWaalsContact O-N 3.08Å; Q164-I167 PolarHBondContact O-N 3.01Å; I167-K169 VanDerWaalsContact C-N 3.3Å; I167-K169 PolarHBondContact O-N 3.37Å; I167-R170 WeakPolarHBondContact O-CB 3.48Å; I167-R170 PolarHBondContact O-N 3.33Å; I167-R170 VanDerWaalsContact O-N 3.08Å; I167-L171 HydrophobicContact CG2-CD1 3.78Å; I167-L171 HydrophobicContact CG2-CG 4.45Å; I167-L171 PolarHBondContact O-N 2.88Å; I167-V178 HydrophobicContact CB-CG1 4.07Å; I167-V178 HydrophobicContact CB-CG2 4.26Å; I167-V178 HydrophobicContact CD1-CG1 4.08Å; I167-V178 HydrophobicContact CG2-CB 4.47Å; I167-V178 HydrophobicContact CG2-CG1 3.81Å; I167-V178 HydrophobicContact CG2-CG2 3.75Å; I167-C181 WeakPolarHBondContact CD1-SG 3.49Å; I167-V195 HydrophobicContact CD1-CB 4.24Å; I167-V195 HydrophobicContact CD1-CG1 3.56Å; I167-V209 HydrophobicContact CD1-CG1 3.89Å; I167-V209 HydrophobicContact CG1-CG1 4.13Å; I167-V209 HydrophobicContact CG2-CG1 3.8Å; I167-V209 HydrophobicContact CG2-CG2 4.08Å; I167-I213 HydrophobicContact CG1-CD1 4.34Å; I167-I213 HydrophobicContact CG2-CD1 4.34Å; I167-F223 HydrophobicContact CD1-CE2 4.41Å; I167-F223 HydrophobicContact CD1-CZ 4.15Å; I167-F223 HydrophobicContact CG1-CE2 3.99Å; I167-F223 HydrophobicContact CG1-CZ 4.2Å |
| 168 | A | 98.2 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.7 | -45.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q164 L171 G172 V173 V178 | Q164-A168 VanDerWaalsContact O-CB 3.26Å; Q164-A168 WeakPolarHBondContact O-CB 3.41Å; Q164-A168 PolarHBondContact O-N 3.4Å; A168-L171 PolarHBondContact O-N 3.21Å; A168-G172 PolarHBondContact O-N 3.2Å; A168-V173 HydrophobicContact CB-CG2 4.09Å; A168-V173 PolarHBondContact O-N 2.86Å; A168-V178 HydrophobicContact CB-CG2 3.86Å |
| 169 | K | 98.1 | Very high | 97.8 | Very high | 179 Ų | 179 | 46.4 Ų | 46.4 | 78% | 0.778 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 175.2 | -175.4 | 178.2 | 179.6 | -178.4 | 0 | 112.5 | S165 I167 L171 G172 | S165-K169 VanDerWaalsContact O-CB 3.31Å; S165-K169 WeakPolarHBondContact O-CB 3.46Å; S165-K169 PolarHBondContact O-N 3.41Å; I167-K169 VanDerWaalsContact C-N 3.3Å; I167-K169 PolarHBondContact O-N 3.37Å; K169-L171 VanDerWaalsContact C-N 3.27Å; K169-L171 PolarHBondContact O-N 3.02Å; K169-G172 PolarHBondContact O-N 3.48Å |
| 170 | R | 97.8 | Very high | 97.8 | Very high | 131 Ų | 131 | 47.1 Ų | 47.1 | 49% | 0.494 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 179.4 | 179.8 | 60.8 | 169.9 | -169.6 | -5.6 | 111.7 | F166 I167 D215 W218 | F166-R170 WeakPolarHBondContact O-CB 3.35Å; F166-R170 PolarHBondContact O-N 3.01Å; I167-R170 WeakPolarHBondContact O-CB 3.48Å; I167-R170 PolarHBondContact O-N 3.33Å; I167-R170 VanDerWaalsContact O-N 3.08Å; R170-D215 IonicContact NH2-OD2 2.68Å; R170-W218 HydrophobicContact CB-CH2 4.04Å; R170-W218 HydrophobicContact CB-CZ2 4.06Å; R170-W218 HydrophobicContact CG-CH2 4.05Å; R170-W218 HydrophobicContact CG-CZ2 3.97Å |
| 171 | L | 97.6 | Very high | 97.8 | Very high | 31 Ų | 31 | 47 Ų | 47 | 16% | 0.162 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -92.8 | -3.1 | -177.2 | -65.1 | 178 | 0 | 0 | 0 | 114.2 | I167 A168 K169 V173 V200 Q202 A212 I213 | I167-L171 HydrophobicContact CG2-CD1 3.78Å; I167-L171 HydrophobicContact CG2-CG 4.45Å; I167-L171 PolarHBondContact O-N 2.88Å; A168-L171 PolarHBondContact O-N 3.21Å; K169-L171 VanDerWaalsContact C-N 3.27Å; K169-L171 PolarHBondContact O-N 3.02Å; L171-V173 VanDerWaalsContact C-N 3.33Å; L171-V173 HydrophobicContact CB-CG1 4.45Å; L171-V173 HydrophobicContact CB-CG2 4.18Å; L171-V173 PolarHBondContact O-N 2.89Å; L171-V200 HydrophobicContact CD1-CB 4.09Å; L171-V200 HydrophobicContact CD1-CG1 3.86Å; L171-V200 HydrophobicContact CD1-CG2 3.92Å; L171-Q202 PolarHBondContact O-NE2 2.83Å; L171-A212 HydrophobicContact CD1-CB 3.99Å; L171-A212 HydrophobicContact CD2-CB 4.11Å; L171-I213 HydrophobicContact CD1-CG1 4.26Å; L171-I213 HydrophobicContact CD2-CG1 3.84Å; L171-I213 HydrophobicContact CG-CG1 4.14Å |
| 172 | G | 97.3 | Very high | 97.8 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 75% | 0.753 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 29.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | A168 K169 | A168-G172 PolarHBondContact O-N 3.2Å; K169-G172 PolarHBondContact O-N 3.48Å |
| 173 | V | 97.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 44 Ų | 44 | 22% | 0.218 | 25% | 0.245 | C | C | . | . | trans | -115.3 | 171.2 | -179.5 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | A168 L171 V178 V200 Q202 | A168-V173 HydrophobicContact CB-CG2 4.09Å; A168-V173 PolarHBondContact O-N 2.86Å; L171-V173 VanDerWaalsContact C-N 3.33Å; L171-V173 HydrophobicContact CB-CG1 4.45Å; L171-V173 HydrophobicContact CB-CG2 4.18Å; L171-V173 PolarHBondContact O-N 2.89Å; V173-V178 HydrophobicContact CG2-CG2 4.19Å; V173-V200 HydrophobicContact CG2-CG2 3.85Å; V173-Q202 HydrophobicContact CG1-CG 3.62Å | ||
| 174 | S | 96.7 | Very high | 97.9 | Very high | 56 Ų | 56 | 44 Ų | 44 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | trans | -73.3 | 151.7 | 172.6 | 67.8 | 0 | 0 | 0 | 0 | 111.8 | D176 S177 | S174-D176 VanDerWaalsContact C-N 3.28Å; S174-D176 WeakPolarHBondContact CB-OD1 3.33Å; S174-D176 PolarHBondContact O-N 2.91Å; S174-D176 PolarHBondContact OG-OD1 2.97Å; S174-S177 VanDerWaalsContact O-CB 3.27Å; S174-S177 WeakPolarHBondContact O-CB 3.45Å; S174-S177 PolarHBondContact O-N 2.88Å; S174-S177 PolarHBondContact OG-OG 2.94Å | ||
| 175 | C | 96 | Very high | 97.9 | Very high | 68 Ų | 68 | 42.3 Ų | 42.3 | 46% | 0.459 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -60.5 | -35.5 | -178.7 | -66.6 | 0 | 0 | 0 | 0 | 113.2 | S177 V178 | C175-S177 PolarHBondContact O-N 3.36Å; C175-V178 PolarHBondContact O-N 2.68Å; C175-V178 VanDerWaalsContact O-N 3.15Å |
| 176 | D | 94.9 | Very high | 97.9 | Very high | 125 Ų | 125 | 39.9 Ų | 39.9 | 67% | 0.668 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -71.7 | -10.5 | 177.5 | 65 | -47.4 | 0 | 0 | 0 | 113.4 | S174 V178 | S174-D176 VanDerWaalsContact C-N 3.28Å; S174-D176 WeakPolarHBondContact CB-OD1 3.33Å; S174-D176 PolarHBondContact O-N 2.91Å; S174-D176 PolarHBondContact OG-OD1 2.97Å; D176-V178 VanDerWaalsContact C-N 3.3Å |
| 177 | S | 97.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -78.3 | -14.8 | 170.5 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | S174 C175 V200 K201 | S174-S177 VanDerWaalsContact O-CB 3.27Å; S174-S177 WeakPolarHBondContact O-CB 3.45Å; S174-S177 PolarHBondContact O-N 2.88Å; S174-S177 PolarHBondContact OG-OG 2.94Å; C175-S177 PolarHBondContact O-N 3.36Å; S177-V200 CarbonylContact O-C 3.58Å; S177-V200 VanDerWaalsContact O-CA 3.27Å; S177-V200 WeakPolarHBondContact O-CA 3.09Å; S177-K201 PolarHBondContact O-N 3.27Å |
| 178 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.2 | 179.8 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | Q164 I167 A168 V173 C175 D176 V200 V209 | Q164-V178 HydrophobicContact CG-CG1 4.39Å; Q164-V178 PolarHBondContact NE2-O 3.34Å; I167-V178 HydrophobicContact CB-CG1 4.07Å; I167-V178 HydrophobicContact CB-CG2 4.26Å; I167-V178 HydrophobicContact CD1-CG1 4.08Å; I167-V178 HydrophobicContact CG2-CB 4.47Å; I167-V178 HydrophobicContact CG2-CG1 3.81Å; I167-V178 HydrophobicContact CG2-CG2 3.75Å; A168-V178 HydrophobicContact CB-CG2 3.86Å; V173-V178 HydrophobicContact CG2-CG2 4.19Å; C175-V178 PolarHBondContact O-N 2.68Å; C175-V178 VanDerWaalsContact O-N 3.15Å; D176-V178 VanDerWaalsContact C-N 3.3Å; V178-V200 HydrophobicContact CG2-CG2 4.05Å; V178-V209 HydrophobicContact CG1-CG2 4.35Å |
| 179 | K | 98 | Very high | 97.7 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 20% | 0.204 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 160.9 | -176 | -60.3 | 174.1 | 177.9 | -164.1 | 0 | 111.3 | C181 A198 V199 E206 E265 | K179-C181 PolarHBondContact O-N 2.68Å; K179-A198 VanDerWaalsContact O-CA 3.29Å; K179-A198 WeakPolarHBondContact O-CA 3.1Å; K179-A198 WeakPolarHBondContact O-CB 3.31Å; K179-V199 HydrophobicContact CB-CG2 3.98Å; K179-V199 PolarHBondContact N-O 3.46Å; K179-V199 PolarHBondContact O-N 3.15Å; K179-V199 VanDerWaalsContact O-N 3.07Å; K179-E206 IonicContact NZ-OE1 3.9Å; K179-E265 HydrophobicContact CD-CG 3.95Å; K179-E265 WeakPolarHBondContact CE-OE1 3.38Å; K179-E265 HydrophobicContact CG-CG 4.47Å; K179-E265 IonicContact NZ-OE1 3.61Å; K179-E265 PolarHBondContact NZ-OE1 3.23Å |
| 180 | N | 98.2 | Very high | 97.6 | Very high | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | trans | 59 | 33 | 168.9 | -58.3 | -5 | 0 | 0 | 0 | 113.9 | A198 G264 E265 W266 | N180-A198 WeakPolarHBondContact O-CA 3.31Å; N180-A198 WeakPolarHBondContact O-CB 3.4Å; N180-G264 PolarHBondContact ND2-O 3.11Å; N180-G264 PolarHBondContact OD1-O 3.1Å; N180-E265 WeakPolarHBondContact OD1-CA 3.31Å; N180-W266 HydrophobicContact CB-CD2 3.99Å; N180-W266 HydrophobicContact CB-CE3 3.64Å; N180-W266 HydrophobicContact CB-CG 4.43Å; N180-W266 HydrophobicContact CB-CZ3 4.08Å; N180-W266 PolarHBondContact OD1-N 2.77Å | ||
| 181 | C | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | trans | -67 | 141.9 | 160.4 | -64.9 | 0 | 0 | 0 | 0 | 109 | H160 A163 Q164 I167 K179 | H160-C181 PolarHBondContact CE1-O 3.46Å; H160-C181 PolarHBondContact ND1-O 2.9Å; A163-C181 HydrophobicContact CB-CB 4.2Å; Q164-C181 HydrophobicContact CG-CB 4.11Å; I167-C181 WeakPolarHBondContact CD1-SG 3.49Å; K179-C181 PolarHBondContact O-N 2.68Å | ||
| 182 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 131.4 | -174.6 | -48.4 | 174.1 | 0 | 0 | 0 | 109.5 | W184 D194 H197 W266 P288 L302 | I182-W184 HydrophobicContact CD1-CZ2 4.13Å; I182-W184 HydrophobicContact CG2-CD2 3.81Å; I182-W184 HydrophobicContact CG2-CG 4.07Å; I182-W184 HydrophobicContact CG2-CZ2 3.81Å; I182-W184 VanDerWaalsContact CG2-NE1 3.35Å; I182-D194 HydrophobicContact CB-CB 4.21Å; I182-D194 PolarHBondContact N-O 3.14Å; I182-D194 PolarHBondContact O-N 3.44Å; I182-H197 HydrophobicContact CD1-CB 4.31Å; I182-W266 HydrophobicContact CD1-CE3 4.06Å; I182-W266 HydrophobicContact CD1-CZ3 4.02Å; I182-W266 HydrophobicContact CG1-CE3 4.36Å; I182-P288 HydrophobicContact CB-CB 4.5Å; I182-P288 HydrophobicContact CD1-CB 4.04Å; I182-P288 HydrophobicContact CD1-CG 4.11Å; I182-P288 HydrophobicContact CG1-CB 4.03Å; I182-P288 HydrophobicContact CG2-CB 3.75Å; I182-P288 HydrophobicContact CG2-CG 3.77Å; I182-L302 HydrophobicContact CD1-CD1 3.73Å |
| 183 | I | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117.5 | 168 | -48.2 | -60.9 | 0 | 0 | 0 | 107 | T156 D159 H160 A163 Q191 V193 S268 S286 | T156-I183 HydrophobicContact CG2-CG2 4.2Å; D159-I183 HydrophobicContact CB-CD1 3.88Å; D159-I183 HydrophobicContact CB-CG1 3.9Å; D159-I183 HydrophobicContact CB-CG2 4.15Å; H160-I183 HydrophobicContact CB-CG1 3.93Å; A163-I183 HydrophobicContact CB-CD1 4.41Å; I183-Q191 HydrophobicContact CG2-CB 4.23Å; I183-V193 HydrophobicContact CD1-CB 4.21Å; I183-V193 HydrophobicContact CD1-CG1 3.82Å; I183-V193 HydrophobicContact CD1-CG2 3.88Å; I183-S268 PolarHBondContact N-OG 2.95Å; I183-S286 CarbonylContact O-C 3.54Å; I183-S286 WeakPolarHBondContact O-CB 3.2Å; I183-S286 PolarHBondContact O-OG 2.96Å |
| 184 | W | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.8 | 174.9 | -57.3 | 98.3 | 0 | 0 | 0 | 110.7 | I182 F192 D194 Y277 F285 S286 F287 P288 L302 L304 F312 | I182-W184 HydrophobicContact CD1-CZ2 4.13Å; I182-W184 HydrophobicContact CG2-CD2 3.81Å; I182-W184 HydrophobicContact CG2-CG 4.07Å; I182-W184 HydrophobicContact CG2-CZ2 3.81Å; I182-W184 VanDerWaalsContact CG2-NE1 3.35Å; W184-F192 HydrophobicContact CB-CB 4.16Å; W184-F192 HydrophobicContact CB-CD1 4.06Å; W184-F192 AromaticContact CD1-CD1 3.46Å; W184-F192 VanDerWaalsContact CD1-CD1 3.46Å; W184-F192 AromaticContact CD1-CE1 3.74Å; W184-F192 AromaticContact CG-CD1 4Å; W184-F192 HydrophobicContact CG-CD1 4Å; W184-F192 PolarHBondContact N-O 3.27Å; W184-F192 PolarHBondContact O-N 3.13Å; W184-D194 VanDerWaalsContact CD1-CB 3.49Å; W184-D194 VanDerWaalsContact NE1-CB 3.33Å; W184-D194 PolarHBondContact NE1-OD2 3Å; W184-Y277 AromaticContact CH2-CD2 3.75Å; W184-Y277 HydrophobicContact CH2-CD2 3.75Å; W184-Y277 AromaticContact CH2-CE2 3.68Å; W184-Y277 HydrophobicContact CH2-CE2 3.68Å; W184-Y277 HydrophobicContact CH2-CG 4.2Å; W184-Y277 AromaticContact CZ3-CD2 3.6Å; W184-Y277 HydrophobicContact CZ3-CD2 3.6Å; W184-Y277 AromaticContact CZ3-CE2 3.91Å; W184-Y277 HydrophobicContact CZ3-CE2 3.91Å; W184-Y277 HydrophobicContact CZ3-CG 4.15Å; W184-F285 HydrophobicContact CB-CE1 4.31Å; W184-F285 HydrophobicContact CE3-CE1 4.3Å; W184-S286 WeakPolarHBondContact CA-O 3.2Å; W184-F287 HydrophobicContact CE3-CD1 4.07Å; W184-F287 AromaticContact CZ3-CD1 3.71Å; W184-F287 HydrophobicContact CZ3-CD1 3.71Å; W184-F287 HydrophobicContact CZ3-CE1 4.35Å; W184-P288 HydrophobicContact CH2-CG 3.53Å; W184-P288 HydrophobicContact CZ2-CG 3.8Å; W184-P288 HydrophobicContact CZ3-CG 4.07Å; W184-L302 HydrophobicContact CH2-CD1 4.06Å; W184-L302 HydrophobicContact CZ2-CD1 3.92Å; W184-L304 HydrophobicContact CZ2-CD2 4.28Å; W184-F312 HydrophobicContact CB-CD2 4.08Å; W184-F312 HydrophobicContact CB-CE2 4.45Å; W184-F312 HydrophobicContact CD2-CD2 4.21Å; W184-F312 HydrophobicContact CD2-CE2 4.18Å; W184-F312 HydrophobicContact CE3-CD2 4.14Å; W184-F312 AromaticContact CE3-CE2 3.64Å; W184-F312 HydrophobicContact CE3-CE2 3.64Å; W184-F312 HydrophobicContact CG-CD2 4.23Å; W184-F312 HydrophobicContact CZ3-CE2 4.13Å |
| 185 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | 90.1 | -136.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | N134 F285 S286 T315 | N134-G185 PolarHBondContact ND2-O 3.22Å; G185-F285 VanDerWaalsContact CA-CE2 3.42Å; G185-S286 PolarHBondContact N-O 3.33Å; G185-S286 WeakPolarHBondContact O-CB 3.32Å; G185-S286 PolarHBondContact O-N 3.16Å; G185-T315 WeakPolarHBondContact CA-OG1 3.2Å |
| 186 | N | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | trans | -83.1 | 149.1 | -171.1 | -157.5 | -0.1 | 0 | 0 | 0 | 111.1 | N134 S188 Q191 T315 E318 L319 | N134-N186 WeakPolarHBondContact CB-OD1 3.41Å; N134-N186 VanDerWaalsContact CG-OD1 3.22Å; N134-N186 PolarHBondContact OD1-OD1 3.13Å; N186-S188 PolarHBondContact O-N 3.3Å; N186-Q191 VanDerWaalsContact O-CB 3.28Å; N186-Q191 WeakPolarHBondContact O-CB 3.31Å; N186-T315 PolarHBondContact N-OG1 3.43Å; N186-E318 WeakPolarHBondContact CB-OE2 3.43Å; N186-E318 PolarHBondContact ND2-OE2 3.11Å; N186-L319 HydrophobicContact CB-CD1 4.05Å; N186-L319 HydrophobicContact CB-CD2 4.03Å; N186-L319 HydrophobicContact CB-CG 3.84Å | ||
| 187 | H | 98.1 | Very high | 98.1 | Very high | 36 Ų | 36 | 20 Ų | 20 | 17% | 0.167 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -75.1 | 71.3 | 162 | -177.3 | 50.7 | 0 | 0 | 0 | 109.8 | N131 A133 N134 T156 D159 | N131-H187 PolarHBondContact OD1-CD2 2.83Å; N131-H187 VanDerWaalsContact OD1-CD2 3.22Å; A133-H187 HydrophobicContact CB-CB 4.35Å; N134-H187 WeakPolarHBondContact OD1-CB 3.4Å; N134-H187 PolarHBondContact OD1-N 3.45Å; T156-H187 HydrophobicContact CG2-CB 3.96Å; D159-H187 IonicContact OD1-CE1 2.78Å; D159-H187 IonicContact OD1-ND1 3.6Å; D159-H187 IonicContact OD2-CE1 3.4Å; D159-H187 PolarHBondContact OD2-CE1 2.83Å; D159-H187 VanDerWaalsContact OD2-CE1 3.27Å; D159-H187 IonicContact OD2-CG 3.31Å; D159-H187 IonicContact OD2-ND1 3.41Å; D159-H187 PolarHBondContact OD2-ND1 2.79Å |
| 188 | S | 96.2 | Very high | 98.1 | Very high | 24 Ų | 24 | 18.9 Ų | 18.9 | 17% | 0.168 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -147.6 | -172.9 | -176.3 | 85 | 0 | 0 | 0 | 0 | 111.3 | N186 T190 Q191 E318 | N186-S188 PolarHBondContact O-N 3.3Å; S188-T190 PolarHBondContact O-N 3.36Å; S188-T190 PolarHBondContact OG-N 2.89Å; S188-T190 PolarHBondContact OG-OG1 3.09Å; S188-Q191 WeakPolarHBondContact O-CB 3.43Å; S188-Q191 VanDerWaalsContact O-CG 3.25Å; S188-Q191 WeakPolarHBondContact O-CG 3.49Å; S188-Q191 PolarHBondContact O-N 3.31Å; S188-Q191 PolarHBondContact O-NE2 3.5Å; S188-E318 VanDerWaalsContact CB-OE2 3.28Å; S188-E318 WeakPolarHBondContact CB-OE2 3.15Å; S188-E318 PolarHBondContact OG-OE2 3.37Å |
| 189 | N | 95.9 | Very high | 98.1 | Very high | 115 Ų | 115 | 20.4 Ų | 20.4 | 62% | 0.615 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.1 | 172.2 | -69.5 | -19.2 | 0 | 0 | 0 | 113.1 | Q191 Q228 | N189-Q191 VanDerWaalsContact C-N 3.33Å; N189-Q228 WeakPolarHBondContact O-CG 3.39Å; N189-Q228 PolarHBondContact O-NE2 3.22Å; N189-Q228 VanDerWaalsContact O-NE2 3.17Å; N189-Q228 PolarHBondContact OD1-O 3.1Å |
| 190 | T | 97.7 | Very high | 98.1 | Very high | 34 Ų | 34 | 18.1 Ų | 18.1 | 21% | 0.209 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -8.7 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | S188 F192 I314 T315 E318 | S188-T190 PolarHBondContact O-N 3.36Å; S188-T190 PolarHBondContact OG-N 2.89Å; S188-T190 PolarHBondContact OG-OG1 3.09Å; T190-F192 PolarHBondContact O-N 3.37Å; T190-I314 HydrophobicContact CG2-CG2 4.12Å; T190-T315 WeakPolarHBondContact O-CB 3.23Å; T190-T315 WeakPolarHBondContact OG1-CB 3.2Å; T190-T315 PolarHBondContact OG1-OG1 2.78Å; T190-T315 VanDerWaalsContact OG1-OG1 3.1Å; T190-E318 HydrophobicContact CG2-CB 4.42Å; T190-E318 PolarHBondContact OG1-OE2 3Å |
| 191 | Q | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | trans | -44.8 | 137.7 | 179.6 | 69.3 | -178.9 | -94.8 | 0 | 0 | 111.4 | D159 I183 N186 S188 N189 V193 Q228 | D159-Q191 VanDerWaalsContact CG-OE1 3.26Å; D159-Q191 PolarHBondContact OD1-NE2 3.45Å; I183-Q191 HydrophobicContact CG2-CB 4.23Å; N186-Q191 VanDerWaalsContact O-CB 3.28Å; N186-Q191 WeakPolarHBondContact O-CB 3.31Å; S188-Q191 WeakPolarHBondContact O-CB 3.43Å; S188-Q191 VanDerWaalsContact O-CG 3.25Å; S188-Q191 WeakPolarHBondContact O-CG 3.49Å; S188-Q191 PolarHBondContact O-N 3.31Å; S188-Q191 PolarHBondContact O-NE2 3.5Å; N189-Q191 VanDerWaalsContact C-N 3.33Å; Q191-V193 HydrophobicContact CG-CG2 4.31Å; Q191-Q228 HydrophobicContact CG-CG 3.84Å; Q191-Q228 PolarHBondContact O-NE2 3.49Å | ||
| 192 | F | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 109 | 175.3 | 170.3 | -138.7 | 0 | 0 | 0 | 109.7 | W184 T190 D194 W307 A308 K311 F312 | W184-F192 HydrophobicContact CB-CB 4.16Å; W184-F192 HydrophobicContact CB-CD1 4.06Å; W184-F192 AromaticContact CD1-CD1 3.46Å; W184-F192 VanDerWaalsContact CD1-CD1 3.46Å; W184-F192 AromaticContact CD1-CE1 3.74Å; W184-F192 AromaticContact CG-CD1 4Å; W184-F192 HydrophobicContact CG-CD1 4Å; W184-F192 PolarHBondContact N-O 3.27Å; W184-F192 PolarHBondContact O-N 3.13Å; T190-F192 PolarHBondContact O-N 3.37Å; F192-D194 HydrophobicContact CD1-CB 4.37Å; F192-D194 HydrophobicContact CE1-CB 3.77Å; F192-D194 HydrophobicContact CE2-CB 4.03Å; F192-D194 HydrophobicContact CZ-CB 3.58Å; F192-W307 HydrophobicContact CE2-CE3 4.38Å; F192-W307 AromaticContact CE2-CH2 3.74Å; F192-W307 HydrophobicContact CE2-CH2 3.74Å; F192-W307 AromaticContact CE2-CZ3 3.5Å; F192-W307 HydrophobicContact CE2-CZ3 3.5Å; F192-W307 VanDerWaalsContact CE2-CZ3 3.5Å; F192-W307 HydrophobicContact CZ-CE3 4.47Å; F192-W307 AromaticContact CZ-CZ3 3.89Å; F192-W307 HydrophobicContact CZ-CZ3 3.89Å; F192-A308 HydrophobicContact CE1-CB 3.7Å; F192-A308 HydrophobicContact CZ-CB 3.6Å; F192-K311 HydrophobicContact CB-CB 3.97Å; F192-K311 HydrophobicContact CD1-CB 4.16Å; F192-K311 HydrophobicContact CD2-CB 3.63Å; F192-K311 HydrophobicContact CD2-CG 4.16Å; F192-K311 HydrophobicContact CE2-CB 4.18Å; F192-K311 HydrophobicContact CE2-CG 4.44Å; F192-K311 HydrophobicContact CG-CB 3.64Å; F192-F312 HydrophobicContact CD1-CB 4.42Å |
| 193 | V | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 108.4 | 176 | -170.3 | 0 | 0 | 0 | 0 | 108.5 | A163 I183 Q191 F223 L224 I227 | A163-V193 HydrophobicContact CB-CG1 3.63Å; I183-V193 HydrophobicContact CD1-CB 4.21Å; I183-V193 HydrophobicContact CD1-CG1 3.82Å; I183-V193 HydrophobicContact CD1-CG2 3.88Å; Q191-V193 HydrophobicContact CG-CG2 4.31Å; V193-F223 HydrophobicContact CB-CE1 4.2Å; V193-F223 HydrophobicContact CG1-CE1 3.52Å; V193-F223 HydrophobicContact CG1-CZ 3.67Å; V193-L224 HydrophobicContact CB-CD1 3.77Å; V193-L224 HydrophobicContact CG2-CD1 3.85Å; V193-I227 HydrophobicContact CG1-CG1 4.5Å; V193-I227 HydrophobicContact CG2-CB 3.94Å; V193-I227 HydrophobicContact CG2-CG1 4.47Å; V193-I227 HydrophobicContact CG2-CG2 3.68Å |
| 194 | D | 98.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.9 | -175.6 | -179.9 | 12.9 | 0 | 0 | 0 | 110.7 | I182 W184 F192 S196 | I182-D194 HydrophobicContact CB-CB 4.21Å; I182-D194 PolarHBondContact N-O 3.14Å; I182-D194 PolarHBondContact O-N 3.44Å; W184-D194 VanDerWaalsContact CD1-CB 3.49Å; W184-D194 VanDerWaalsContact NE1-CB 3.33Å; W184-D194 PolarHBondContact NE1-OD2 3Å; F192-D194 HydrophobicContact CD1-CB 4.37Å; F192-D194 HydrophobicContact CE1-CB 3.77Å; F192-D194 HydrophobicContact CE2-CB 4.03Å; F192-D194 HydrophobicContact CZ-CB 3.58Å; D194-S196 WeakPolarHBondContact OD1-CB 3.39Å; D194-S196 PolarHBondContact OD1-N 3.2Å; D194-S196 PolarHBondContact OD1-OG 3Å; D194-S196 PolarHBondContact OD2-OG 2.93Å |
| 195 | V | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | trans | -125.2 | 10.3 | -179 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | I167 H197 A198 V209 I219 F223 | I167-V195 HydrophobicContact CD1-CB 4.24Å; I167-V195 HydrophobicContact CD1-CG1 3.56Å; V195-H197 PolarHBondContact O-N 3.48Å; V195-A198 HydrophobicContact CB-CB 4.03Å; V195-A198 WeakPolarHBondContact O-CB 3.28Å; V195-A198 PolarHBondContact O-N 2.97Å; V195-A198 VanDerWaalsContact O-N 3.14Å; V195-V209 HydrophobicContact CB-CG1 4.21Å; V195-V209 HydrophobicContact CG2-CG1 4.36Å; V195-I219 HydrophobicContact CG2-CD1 4.45Å; V195-I219 HydrophobicContact CG2-CG2 3.66Å; V195-F223 HydrophobicContact CG1-CE1 3.67Å; V195-F223 HydrophobicContact CG1-CZ 3.83Å | ||
| 196 | S | 97.4 | Very high | 96.8 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -27 | -179.3 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | D194 | D194-S196 WeakPolarHBondContact OD1-CB 3.39Å; D194-S196 PolarHBondContact OD1-N 3.2Å; D194-S196 PolarHBondContact OD1-OG 3Å; D194-S196 PolarHBondContact OD2-OG 2.93Å |
| 197 | H | 97.8 | Very high | 96.8 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 22% | 0.222 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 2 | 175.8 | -56.6 | -76.2 | 0 | 0 | 0 | 113.1 | I182 V195 W266 K303 | I182-H197 HydrophobicContact CD1-CB 4.31Å; V195-H197 PolarHBondContact O-N 3.48Å; H197-W266 HydrophobicContact CB-CH2 4.07Å; H197-W266 HydrophobicContact CB-CZ3 3.63Å; H197-K303 PolarHBondContact NE2-O 3Å |
| 198 | A | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | trans | -74.2 | 145.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K179 N180 V195 V209 | K179-A198 VanDerWaalsContact O-CA 3.29Å; K179-A198 WeakPolarHBondContact O-CA 3.1Å; K179-A198 WeakPolarHBondContact O-CB 3.31Å; N180-A198 WeakPolarHBondContact O-CA 3.31Å; N180-A198 WeakPolarHBondContact O-CB 3.4Å; V195-A198 HydrophobicContact CB-CB 4.03Å; V195-A198 WeakPolarHBondContact O-CB 3.28Å; V195-A198 PolarHBondContact O-N 2.97Å; V195-A198 VanDerWaalsContact O-N 3.14Å; A198-V209 HydrophobicContact CB-CB 3.96Å; A198-V209 HydrophobicContact CB-CG2 3.68Å; A198-V209 PolarHBondContact O-N 3.07Å | ||
| 199 | V | 98.4 | Very high | 96.9 | Very high | 31 Ų | 31 | 51.6 Ų | 51.6 | 19% | 0.188 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151.1 | 176 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | K179 I207 | K179-V199 HydrophobicContact CB-CG2 3.98Å; K179-V199 PolarHBondContact N-O 3.46Å; K179-V199 PolarHBondContact O-N 3.15Å; K179-V199 VanDerWaalsContact O-N 3.07Å; V199-I207 CarbonylContact C-O 3.35Å; V199-I207 WeakPolarHBondContact CA-O 3.31Å |
| 200 | V | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135 | 173.8 | 64.1 | 0 | 0 | 0 | 0 | 109.9 | L171 V173 S177 V178 Q202 E206 I207 V209 A212 | L171-V200 HydrophobicContact CD1-CB 4.09Å; L171-V200 HydrophobicContact CD1-CG1 3.86Å; L171-V200 HydrophobicContact CD1-CG2 3.92Å; V173-V200 HydrophobicContact CG2-CG2 3.85Å; S177-V200 CarbonylContact O-C 3.58Å; S177-V200 VanDerWaalsContact O-CA 3.27Å; S177-V200 WeakPolarHBondContact O-CA 3.09Å; V178-V200 HydrophobicContact CG2-CG2 4.05Å; V200-Q202 HydrophobicContact CG2-CG 4.2Å; V200-E206 WeakPolarHBondContact O-CA 3.46Å; V200-I207 HydrophobicContact CG1-CB 4.27Å; V200-I207 PolarHBondContact N-O 3.27Å; V200-I207 PolarHBondContact O-N 3.31Å; V200-V209 HydrophobicContact CB-CG2 4.14Å; V200-V209 HydrophobicContact CG1-CG2 4.48Å; V200-A212 HydrophobicContact CG1-CB 3.62Å |
| 201 | K | 97.5 | Very high | 97 | Very high | 112 Ų | 112 | 49.5 Ų | 49.5 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 116.9 | 171.7 | -168.9 | 176.4 | -179.9 | 179.5 | 0 | 110 | S177 K205 | S177-K201 PolarHBondContact O-N 3.27Å; K201-K205 CarbonylContact C-O 3.56Å; K201-K205 VanDerWaalsContact CA-O 3.27Å; K201-K205 WeakPolarHBondContact CA-O 3.31Å |
| 202 | Q | 92.8 | Very high | 96.9 | Very high | 49 Ų | 49 | 50.6 Ų | 50.6 | 23% | 0.229 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 133.2 | 174.5 | -77.8 | 179.3 | -35.3 | 0 | 0 | 109 | L171 V173 V200 G204 K205 I207 | L171-Q202 PolarHBondContact O-NE2 2.83Å; V173-Q202 HydrophobicContact CG1-CG 3.62Å; V200-Q202 HydrophobicContact CG2-CG 4.2Å; Q202-G204 PolarHBondContact O-N 2.84Å; Q202-G204 VanDerWaalsContact O-N 3.1Å; Q202-K205 PolarHBondContact N-O 2.86Å; Q202-K205 PolarHBondContact O-N 3.02Å; Q202-K205 VanDerWaalsContact O-O 3.14Å; Q202-I207 HydrophobicContact CB-CD1 4.24Å |
| 203 | D | 90.9 | Very high | 96.9 | Very high | 167 Ų | 167 | 51.4 Ų | 51.4 | 89% | 0.893 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 39.8 | 179.6 | -55.2 | -35.7 | 0 | 0 | 0 | 113.9 | K205 | D203-K205 VanDerWaalsContact C-N 3.25Å; D203-K205 PolarHBondContact O-N 3.27Å |
| 204 | G | 91.3 | Very high | 96.8 | Very high | 63 Ų | 63 | 58 Ų | 58 | 65% | 0.649 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 0.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q202 | Q202-G204 PolarHBondContact O-N 2.84Å; Q202-G204 VanDerWaalsContact O-N 3.1Å |
| 205 | K | 95.4 | Very high | 96.8 | Very high | 151 Ų | 151 | 60.2 Ų | 60.2 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 146 | 179.5 | -61.8 | 178.2 | -176.1 | 174.9 | 0 | 111.2 | K201 Q202 D203 | K201-K205 CarbonylContact C-O 3.56Å; K201-K205 VanDerWaalsContact CA-O 3.27Å; K201-K205 WeakPolarHBondContact CA-O 3.31Å; Q202-K205 PolarHBondContact N-O 2.86Å; Q202-K205 PolarHBondContact O-N 3.02Å; Q202-K205 VanDerWaalsContact O-O 3.14Å; D203-K205 VanDerWaalsContact C-N 3.25Å; D203-K205 PolarHBondContact O-N 3.27Å |
| 206 | E | 96.8 | Very high | 96.8 | Very high | 119 Ų | 119 | 64.5 Ų | 64.5 | 56% | 0.556 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127.9 | 167.8 | -71.4 | -173.4 | 160 | 0 | 0 | 109.6 | K179 V200 | K179-E206 IonicContact NZ-OE1 3.9Å; V200-E206 WeakPolarHBondContact O-CA 3.46Å |
| 207 | I | 97.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 66.3 Ų | 66.3 | 28% | 0.277 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 138.4 | -177.2 | -52.3 | 174.2 | 0 | 0 | 0 | 107.6 | V199 V200 Q202 V209 A211 A212 | V199-I207 CarbonylContact C-O 3.35Å; V199-I207 WeakPolarHBondContact CA-O 3.31Å; V200-I207 HydrophobicContact CG1-CB 4.27Å; V200-I207 PolarHBondContact N-O 3.27Å; V200-I207 PolarHBondContact O-N 3.31Å; Q202-I207 HydrophobicContact CB-CD1 4.24Å; I207-V209 PolarHBondContact O-N 2.98Å; I207-A211 HydrophobicContact CG2-CB 4.37Å; I207-A212 HydrophobicContact CG2-CB 4.19Å |
| 208 | P | 98.2 | Very high | 96.8 | Very high | 66 Ų | 66 | 65 Ų | 65 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 133.5 | 171.1 | -24.9 | 34.7 | 0 | 0 | 0 | 111.2 | T210 A211 A212 | P208-T210 PolarHBondContact O-N 3.29Å; P208-A211 HydrophobicContact CB-CB 4.2Å; P208-A211 PolarHBondContact O-N 2.86Å; P208-A212 PolarHBondContact O-N 3.27Å |
| 209 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.8 | -38.3 | -179.1 | 164.8 | 0 | 0 | 0 | 0 | 111.4 | I167 V178 V195 A198 V200 I207 A211 A212 I213 | I167-V209 HydrophobicContact CD1-CG1 3.89Å; I167-V209 HydrophobicContact CG1-CG1 4.13Å; I167-V209 HydrophobicContact CG2-CG1 3.8Å; I167-V209 HydrophobicContact CG2-CG2 4.08Å; V178-V209 HydrophobicContact CG1-CG2 4.35Å; V195-V209 HydrophobicContact CB-CG1 4.21Å; V195-V209 HydrophobicContact CG2-CG1 4.36Å; A198-V209 HydrophobicContact CB-CB 3.96Å; A198-V209 HydrophobicContact CB-CG2 3.68Å; A198-V209 PolarHBondContact O-N 3.07Å; V200-V209 HydrophobicContact CB-CG2 4.14Å; V200-V209 HydrophobicContact CG1-CG2 4.48Å; I207-V209 PolarHBondContact O-N 2.98Å; V209-A211 VanDerWaalsContact C-N 3.32Å; V209-A211 PolarHBondContact O-N 3.21Å; V209-A212 PolarHBondContact O-N 2.87Å; V209-I213 HydrophobicContact CG1-CD1 3.6Å; V209-I213 HydrophobicContact CG1-CG1 4.23Å; V209-I213 WeakPolarHBondContact O-CB 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.37Å; V209-I213 PolarHBondContact O-N 2.85Å |
| 210 | T | 97.5 | Very high | 96.7 | Very high | 47 Ų | 47 | 66.8 Ų | 66.8 | 29% | 0.288 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 175.9 | 49.9 | 0 | 0 | 0 | 0 | 112.1 | P208 N214 I219 | P208-T210 PolarHBondContact O-N 3.29Å; T210-N214 WeakPolarHBondContact O-CA 3.46Å; T210-N214 PolarHBondContact O-N 3.27Å; T210-I219 HydrophobicContact CG2-CD1 4.19Å |
| 211 | A | 97.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 71.1 Ų | 71.1 | 49% | 0.488 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.4 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I207 P208 V209 | I207-A211 HydrophobicContact CG2-CB 4.37Å; P208-A211 HydrophobicContact CB-CB 4.2Å; P208-A211 PolarHBondContact O-N 2.86Å; V209-A211 VanDerWaalsContact C-N 3.32Å; V209-A211 PolarHBondContact O-N 3.21Å |
| 212 | A | 97.9 | Very high | 96.6 | Very high | 28 Ų | 28 | 71 Ų | 71 | 23% | 0.231 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.9 | -37.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L171 V200 I207 P208 V209 | L171-A212 HydrophobicContact CD1-CB 3.99Å; L171-A212 HydrophobicContact CD2-CB 4.11Å; V200-A212 HydrophobicContact CG1-CB 3.62Å; I207-A212 HydrophobicContact CG2-CB 4.19Å; P208-A212 PolarHBondContact O-N 3.27Å; V209-A212 PolarHBondContact O-N 2.87Å |
| 213 | I | 97.8 | Very high | 96.8 | Very high | 17 Ų | 17 | 68.8 Ų | 68.8 | 9% | 0.087 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -78.1 | -40.9 | 176.4 | -67.6 | 178.6 | 0 | 0 | 0 | 111 | I167 L171 V209 D215 W218 I219 | I167-I213 HydrophobicContact CG1-CD1 4.34Å; I167-I213 HydrophobicContact CG2-CD1 4.34Å; L171-I213 HydrophobicContact CD1-CG1 4.26Å; L171-I213 HydrophobicContact CD2-CG1 3.84Å; L171-I213 HydrophobicContact CG-CG1 4.14Å; V209-I213 HydrophobicContact CG1-CD1 3.6Å; V209-I213 HydrophobicContact CG1-CG1 4.23Å; V209-I213 WeakPolarHBondContact O-CB 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.37Å; V209-I213 PolarHBondContact O-N 2.85Å; I213-D215 HydrophobicContact CG2-CB 3.99Å; I213-D215 PolarHBondContact O-N 2.95Å; I213-W218 HydrophobicContact CD1-CE3 4.11Å; I213-W218 HydrophobicContact CD1-CH2 4.3Å; I213-W218 HydrophobicContact CD1-CZ3 3.52Å; I213-W218 HydrophobicContact CG2-CE3 3.84Å; I213-W218 HydrophobicContact CG2-CZ3 4.3Å; I213-I219 HydrophobicContact CB-CD1 4.33Å; I213-I219 HydrophobicContact CD1-CG1 4.42Å; I213-I219 HydrophobicContact CG2-CD1 4.2Å; I213-I219 HydrophobicContact CG2-CG1 4.12Å |
| 214 | N | 97.2 | Very high | 97.1 | Very high | 143 Ų | 143 | 61.2 Ų | 61.2 | 77% | 0.765 | 34% | 0.34 | S | S | * | . | trans | 50.6 | 40.3 | 179.2 | -164.7 | 38.2 | 0 | 0 | 0 | 114 | T210 | T210-N214 WeakPolarHBondContact O-CA 3.46Å; T210-N214 PolarHBondContact O-N 3.27Å | ||
| 215 | D | 98.1 | Very high | 97.4 | Very high | 52 Ų | 52 | 60 Ų | 60 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | trans | -148.7 | 85 | -178.5 | -172.5 | -15.7 | 0 | 0 | 0 | 109.9 | R170 I213 N217 W218 I219 | R170-D215 IonicContact NH2-OD2 2.68Å; I213-D215 HydrophobicContact CG2-CB 3.99Å; I213-D215 PolarHBondContact O-N 2.95Å; D215-N217 PolarHBondContact O-N 2.89Å; D215-N217 PolarHBondContact OD1-N 3.09Å; D215-W218 HydrophobicContact CB-CB 3.93Å; D215-W218 PolarHBondContact O-N 2.85Å; D215-W218 WeakPolarHBondContact OD1-CB 3.39Å; D215-W218 PolarHBondContact OD1-N 2.91Å; D215-W218 WeakPolarHBondContact OD2-CB 3.48Å; D215-I219 WeakPolarHBondContact O-CG1 3.33Å; D215-I219 PolarHBondContact O-N 2.88Å | ||
| 216 | D | 96.6 | Very high | 97.5 | Very high | 93 Ų | 93 | 54.4 Ų | 54.4 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -33.6 | -179 | -95.6 | 16.6 | 0 | 0 | 0 | 112.6 | I219 K220 | D216-I219 PolarHBondContact O-N 3.11Å; D216-K220 VanDerWaalsContact O-CB 3.3Å; D216-K220 WeakPolarHBondContact O-CB 3.42Å; D216-K220 WeakPolarHBondContact O-CG 3.34Å; D216-K220 PolarHBondContact O-N 3.04Å; D216-K220 IonicContact OD2-NZ 3.89Å |
| 217 | N | 97.7 | Very high | 97.6 | Very high | 92 Ų | 92 | 48.8 Ų | 48.8 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 178.2 | 177.9 | 63.1 | 0 | 0 | 0 | 110.6 | D215 I219 N221 | D215-N217 PolarHBondContact O-N 2.89Å; D215-N217 PolarHBondContact OD1-N 3.09Å; N217-I219 PolarHBondContact O-N 2.87Å; N217-N221 VanDerWaalsContact O-CB 3.32Å; N217-N221 WeakPolarHBondContact O-CB 3.18Å; N217-N221 PolarHBondContact O-N 2.88Å; N217-N221 PolarHBondContact OD1-ND2 2.96Å |
| 218 | W | 98.1 | Very high | 97.5 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 8% | 0.08 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -60.2 | -45.9 | 174.8 | -177.1 | 86.9 | 0 | 0 | 0 | 111.4 | R170 I213 D215 E222 F223 | R170-W218 HydrophobicContact CB-CH2 4.04Å; R170-W218 HydrophobicContact CB-CZ2 4.06Å; R170-W218 HydrophobicContact CG-CH2 4.05Å; R170-W218 HydrophobicContact CG-CZ2 3.97Å; I213-W218 HydrophobicContact CD1-CE3 4.11Å; I213-W218 HydrophobicContact CD1-CH2 4.3Å; I213-W218 HydrophobicContact CD1-CZ3 3.52Å; I213-W218 HydrophobicContact CG2-CE3 3.84Å; I213-W218 HydrophobicContact CG2-CZ3 4.3Å; D215-W218 HydrophobicContact CB-CB 3.93Å; D215-W218 PolarHBondContact O-N 2.85Å; D215-W218 WeakPolarHBondContact OD1-CB 3.39Å; D215-W218 PolarHBondContact OD1-N 2.91Å; D215-W218 WeakPolarHBondContact OD2-CB 3.48Å; W218-E222 HydrophobicContact CG-CB 4.38Å; W218-E222 PolarHBondContact O-N 3Å; W218-E222 VanDerWaalsContact O-N 3.14Å; W218-F223 HydrophobicContact CD2-CB 4.12Å; W218-F223 HydrophobicContact CE3-CB 3.79Å; W218-F223 HydrophobicContact CE3-CG 4.45Å; W218-F223 HydrophobicContact CH2-CB 3.79Å; W218-F223 AromaticContact CH2-CD2 3.55Å; W218-F223 HydrophobicContact CH2-CD2 3.55Å; W218-F223 HydrophobicContact CH2-CE2 4.44Å; W218-F223 AromaticContact CH2-CG 3.93Å; W218-F223 HydrophobicContact CH2-CG 3.93Å; W218-F223 HydrophobicContact CZ2-CB 4.1Å; W218-F223 HydrophobicContact CZ2-CD2 4.29Å; W218-F223 HydrophobicContact CZ3-CB 3.58Å; W218-F223 AromaticContact CZ3-CD2 3.85Å; W218-F223 HydrophobicContact CZ3-CD2 3.85Å; W218-F223 AromaticContact CZ3-CG 3.79Å; W218-F223 HydrophobicContact CZ3-CG 3.79Å; W218-F223 VanDerWaalsContact O-CB 3.3Å; W218-F223 WeakPolarHBondContact O-CB 3.33Å; W218-F223 PolarHBondContact O-N 3.24Å |
| 219 | I | 97.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -62.1 | -52.7 | 179.5 | -66.2 | 172.9 | 0 | 0 | 0 | 111 | V195 T210 I213 D215 D216 N217 N221 | V195-I219 HydrophobicContact CG2-CD1 4.45Å; V195-I219 HydrophobicContact CG2-CG2 3.66Å; T210-I219 HydrophobicContact CG2-CD1 4.19Å; I213-I219 HydrophobicContact CB-CD1 4.33Å; I213-I219 HydrophobicContact CD1-CG1 4.42Å; I213-I219 HydrophobicContact CG2-CD1 4.2Å; I213-I219 HydrophobicContact CG2-CG1 4.12Å; D215-I219 WeakPolarHBondContact O-CG1 3.33Å; D215-I219 PolarHBondContact O-N 2.88Å; D216-I219 PolarHBondContact O-N 3.11Å; N217-I219 PolarHBondContact O-N 2.87Å; I219-N221 PolarHBondContact O-N 3.2Å |
| 220 | K | 96.6 | Very high | 97.4 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 24% | 0.243 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -76.2 | -21.9 | -170.6 | -66.9 | -176.9 | 176.1 | 175.8 | 0 | 113.6 | D216 W307 | D216-K220 VanDerWaalsContact O-CB 3.3Å; D216-K220 WeakPolarHBondContact O-CB 3.42Å; D216-K220 WeakPolarHBondContact O-CG 3.34Å; D216-K220 PolarHBondContact O-N 3.04Å; D216-K220 IonicContact OD2-NZ 3.89Å; K220-W307 HydrophobicContact CB-CH2 4.13Å; K220-W307 HydrophobicContact CB-CZ2 3.61Å; K220-W307 HydrophobicContact CD-CD2 3.96Å; K220-W307 HydrophobicContact CD-CE3 4.29Å; K220-W307 HydrophobicContact CD-CG 4.29Å; K220-W307 HydrophobicContact CD-CZ2 4.34Å; K220-W307 HydrophobicContact CG-CD2 4.14Å; K220-W307 HydrophobicContact CG-CE3 4.25Å; K220-W307 HydrophobicContact CG-CH2 3.81Å; K220-W307 HydrophobicContact CG-CZ2 3.66Å; K220-W307 HydrophobicContact CG-CZ3 4.09Å |
| 221 | N | 96 | Very high | 97.3 | Very high | 91 Ų | 91 | 54.6 Ų | 54.6 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -119 | -69.1 | -175.9 | -60.7 | -49.4 | 0 | 0 | 0 | 112.8 | N217 I219 S225 | N217-N221 VanDerWaalsContact O-CB 3.32Å; N217-N221 WeakPolarHBondContact O-CB 3.18Å; N217-N221 PolarHBondContact O-N 2.88Å; N217-N221 PolarHBondContact OD1-ND2 2.96Å; I219-N221 PolarHBondContact O-N 3.2Å; N221-S225 VanDerWaalsContact O-CB 3.25Å; N221-S225 WeakPolarHBondContact O-CB 3.29Å; N221-S225 PolarHBondContact O-N 2.77Å |
| 222 | E | 97.9 | Very high | 97.2 | Very high | 110 Ų | 110 | 54.9 Ų | 54.9 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -66 | -51.4 | -170.6 | -67.4 | -179.5 | -134.3 | 0 | 0 | 112.4 | W218 A226 | W218-E222 HydrophobicContact CG-CB 4.38Å; W218-E222 PolarHBondContact O-N 3Å; W218-E222 VanDerWaalsContact O-N 3.14Å; E222-A226 VanDerWaalsContact O-CB 3.23Å; E222-A226 WeakPolarHBondContact O-CB 3.27Å; E222-A226 PolarHBondContact O-N 3.07Å |
| 223 | F | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -61 | -54.8 | 179.2 | 168.3 | -105 | 0 | 0 | 0 | 111.3 | A163 F166 I167 V193 V195 W218 S225 A226 I227 | A163-F223 HydrophobicContact CB-CE2 4.47Å; A163-F223 HydrophobicContact CB-CZ 3.89Å; F166-F223 HydrophobicContact CB-CD2 3.97Å; F166-F223 HydrophobicContact CB-CE2 3.77Å; I167-F223 HydrophobicContact CD1-CE2 4.41Å; I167-F223 HydrophobicContact CD1-CZ 4.15Å; I167-F223 HydrophobicContact CG1-CE2 3.99Å; I167-F223 HydrophobicContact CG1-CZ 4.2Å; V193-F223 HydrophobicContact CB-CE1 4.2Å; V193-F223 HydrophobicContact CG1-CE1 3.52Å; V193-F223 HydrophobicContact CG1-CZ 3.67Å; V195-F223 HydrophobicContact CG1-CE1 3.67Å; V195-F223 HydrophobicContact CG1-CZ 3.83Å; W218-F223 HydrophobicContact CD2-CB 4.12Å; W218-F223 HydrophobicContact CE3-CB 3.79Å; W218-F223 HydrophobicContact CE3-CG 4.45Å; W218-F223 HydrophobicContact CH2-CB 3.79Å; W218-F223 AromaticContact CH2-CD2 3.55Å; W218-F223 HydrophobicContact CH2-CD2 3.55Å; W218-F223 HydrophobicContact CH2-CE2 4.44Å; W218-F223 AromaticContact CH2-CG 3.93Å; W218-F223 HydrophobicContact CH2-CG 3.93Å; W218-F223 HydrophobicContact CZ2-CB 4.1Å; W218-F223 HydrophobicContact CZ2-CD2 4.29Å; W218-F223 HydrophobicContact CZ3-CB 3.58Å; W218-F223 AromaticContact CZ3-CD2 3.85Å; W218-F223 HydrophobicContact CZ3-CD2 3.85Å; W218-F223 AromaticContact CZ3-CG 3.79Å; W218-F223 HydrophobicContact CZ3-CG 3.79Å; W218-F223 VanDerWaalsContact O-CB 3.3Å; W218-F223 WeakPolarHBondContact O-CB 3.33Å; W218-F223 PolarHBondContact O-N 3.24Å; F223-S225 VanDerWaalsContact C-N 3.32Å; F223-S225 PolarHBondContact O-N 2.77Å; F223-A226 PolarHBondContact O-N 2.8Å; F223-A226 VanDerWaalsContact O-N 3.1Å; F223-I227 HydrophobicContact CD2-CG1 4.23Å; F223-I227 HydrophobicContact CE2-CD1 4.08Å; F223-I227 HydrophobicContact CE2-CG1 3.89Å; F223-I227 HydrophobicContact CZ-CG1 4.1Å; F223-I227 WeakPolarHBondContact O-CG1 3.43Å; F223-I227 PolarHBondContact O-N 2.93Å |
| 224 | L | 97.2 | Very high | 97.1 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.9 | -47.2 | -179.3 | 179.9 | 59.8 | 0 | 0 | 0 | 111.3 | V193 A226 I227 Q228 W307 | V193-L224 HydrophobicContact CB-CD1 3.77Å; V193-L224 HydrophobicContact CG2-CD1 3.85Å; L224-A226 VanDerWaalsContact C-N 3.34Å; L224-A226 PolarHBondContact O-N 2.78Å; L224-I227 PolarHBondContact O-N 2.8Å; L224-Q228 HydrophobicContact CD1-CG 4.42Å; L224-Q228 WeakPolarHBondContact O-CG 3.48Å; L224-Q228 PolarHBondContact O-N 3.26Å; L224-Q228 VanDerWaalsContact O-N 3.12Å; L224-W307 HydrophobicContact CD2-CH2 4.17Å; L224-W307 HydrophobicContact CD2-CZ2 3.97Å |
| 225 | S | 97.4 | Very high | 97 | Very high | 36 Ų | 36 | 53.6 Ų | 53.6 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 178.9 | -158.9 | 0 | 0 | 0 | 0 | 112.4 | N221 F223 I227 K229 | N221-S225 VanDerWaalsContact O-CB 3.25Å; N221-S225 WeakPolarHBondContact O-CB 3.29Å; N221-S225 PolarHBondContact O-N 2.77Å; F223-S225 VanDerWaalsContact C-N 3.32Å; F223-S225 PolarHBondContact O-N 2.77Å; S225-I227 PolarHBondContact O-N 3.35Å; S225-K229 WeakPolarHBondContact O-CB 3.29Å; S225-K229 WeakPolarHBondContact O-CG 3.49Å; S225-K229 PolarHBondContact O-N 2.85Å; S225-K229 WeakPolarHBondContact OG-CE 3.35Å; S225-K229 PolarHBondContact OG-NZ 3.37Å; S225-K229 VanDerWaalsContact OG-NZ 3.07Å |
| 226 | A | 97.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 54 Ų | 54 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F166 E222 F223 L224 R230 | F166-A226 HydrophobicContact CD1-CB 4.23Å; F166-A226 HydrophobicContact CE1-CB 3.56Å; F166-A226 HydrophobicContact CZ-CB 4.22Å; E222-A226 VanDerWaalsContact O-CB 3.23Å; E222-A226 WeakPolarHBondContact O-CB 3.27Å; E222-A226 PolarHBondContact O-N 3.07Å; F223-A226 PolarHBondContact O-N 2.8Å; F223-A226 VanDerWaalsContact O-N 3.1Å; L224-A226 VanDerWaalsContact C-N 3.34Å; L224-A226 PolarHBondContact O-N 2.78Å; A226-R230 WeakPolarHBondContact O-CA 3.41Å; A226-R230 WeakPolarHBondContact O-CB 3.35Å; A226-R230 PolarHBondContact O-N 2.9Å; A226-R230 VanDerWaalsContact O-N 3.11Å |
| 227 | I | 98 | Very high | 97 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.9 | -50 | 175.7 | -56.9 | -56.1 | 0 | 0 | 0 | 110.7 | R162 F166 V193 F223 L224 S225 K229 R230 | R162-I227 HydrophobicContact CB-CD1 3.95Å; R162-I227 HydrophobicContact CB-CG2 4.33Å; F166-I227 HydrophobicContact CB-CD1 4.04Å; F166-I227 HydrophobicContact CD1-CD1 4.21Å; F166-I227 HydrophobicContact CD2-CD1 3.69Å; F166-I227 HydrophobicContact CE2-CD1 4.15Å; F166-I227 HydrophobicContact CG-CD1 3.71Å; V193-I227 HydrophobicContact CG1-CG1 4.5Å; V193-I227 HydrophobicContact CG2-CB 3.94Å; V193-I227 HydrophobicContact CG2-CG1 4.47Å; V193-I227 HydrophobicContact CG2-CG2 3.68Å; F223-I227 HydrophobicContact CD2-CG1 4.23Å; F223-I227 HydrophobicContact CE2-CD1 4.08Å; F223-I227 HydrophobicContact CE2-CG1 3.89Å; F223-I227 HydrophobicContact CZ-CG1 4.1Å; F223-I227 WeakPolarHBondContact O-CG1 3.43Å; F223-I227 PolarHBondContact O-N 2.93Å; L224-I227 PolarHBondContact O-N 2.8Å; S225-I227 PolarHBondContact O-N 3.35Å; I227-K229 PolarHBondContact O-N 3.03Å; I227-R230 VanDerWaalsContact O-CB 3.24Å; I227-R230 WeakPolarHBondContact O-CB 3.48Å; I227-R230 PolarHBondContact O-N 3.41Å |
| 228 | Q | 96.9 | Very high | 96.9 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.2 | -40.2 | 177.9 | -72.8 | 171.9 | -18.5 | 0 | 0 | 111.8 | N189 Q191 L224 | N189-Q228 WeakPolarHBondContact O-CG 3.39Å; N189-Q228 PolarHBondContact O-NE2 3.22Å; N189-Q228 VanDerWaalsContact O-NE2 3.17Å; N189-Q228 PolarHBondContact OD1-O 3.1Å; Q191-Q228 HydrophobicContact CG-CG 3.84Å; Q191-Q228 PolarHBondContact O-NE2 3.49Å; L224-Q228 HydrophobicContact CD1-CG 4.42Å; L224-Q228 WeakPolarHBondContact O-CG 3.48Å; L224-Q228 PolarHBondContact O-N 3.26Å; L224-Q228 VanDerWaalsContact O-N 3.12Å |
| 229 | K | 96.6 | Very high | 96.7 | Very high | 126 Ų | 126 | 62.4 Ų | 62.4 | 55% | 0.548 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 5.4 | -178.1 | -62.6 | 173 | -177.5 | 164.4 | 0 | 113.9 | S225 I227 G231 A232 A233 | S225-K229 WeakPolarHBondContact O-CB 3.29Å; S225-K229 WeakPolarHBondContact O-CG 3.49Å; S225-K229 PolarHBondContact O-N 2.85Å; S225-K229 WeakPolarHBondContact OG-CE 3.35Å; S225-K229 PolarHBondContact OG-NZ 3.37Å; S225-K229 VanDerWaalsContact OG-NZ 3.07Å; I227-K229 PolarHBondContact O-N 3.03Å; K229-G231 VanDerWaalsContact C-N 3.31Å; K229-G231 PolarHBondContact O-N 2.84Å; K229-A232 PolarHBondContact O-N 2.87Å; K229-A233 PolarHBondContact O-N 3.06Å; K229-A233 VanDerWaalsContact O-N 3.13Å |
| 230 | R | 97.7 | Very high | 96.4 | Very high | 98 Ų | 98 | 66.3 Ų | 66.3 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | -170.3 | -171.7 | 57.4 | 176 | 174.4 | 0.8 | 113 | R162 A226 I227 A233 V234 | R162-R230 HydrophobicContact CG-CG 4.01Å; A226-R230 WeakPolarHBondContact O-CA 3.41Å; A226-R230 WeakPolarHBondContact O-CB 3.35Å; A226-R230 PolarHBondContact O-N 2.9Å; A226-R230 VanDerWaalsContact O-N 3.11Å; I227-R230 VanDerWaalsContact O-CB 3.24Å; I227-R230 WeakPolarHBondContact O-CB 3.48Å; I227-R230 PolarHBondContact O-N 3.41Å; R230-A233 PolarHBondContact O-N 2.83Å; R230-V234 WeakPolarHBondContact O-CG2 3.43Å; R230-V234 PolarHBondContact O-N 2.97Å; R230-V234 VanDerWaalsContact O-N 3.08Å |
| 231 | G | 94.6 | Very high | 96.1 | Very high | 21 Ų | 21 | 66.4 Ų | 66.4 | 22% | 0.216 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.7 | -47.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K229 A233 V234 I235 | K229-G231 VanDerWaalsContact C-N 3.31Å; K229-G231 PolarHBondContact O-N 2.84Å; G231-A233 VanDerWaalsContact C-N 3.34Å; G231-A233 PolarHBondContact O-N 3.29Å; G231-V234 PolarHBondContact O-N 3.11Å; G231-I235 WeakPolarHBondContact O-CG1 3.38Å; G231-I235 PolarHBondContact O-N 3.19Å |
| 232 | A | 95.3 | Very high | 96 | Very high | 65 Ų | 65 | 62.9 Ų | 62.9 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K229 V234 I235 A236 | K229-A232 PolarHBondContact O-N 2.87Å; A232-V234 VanDerWaalsContact C-N 3.35Å; A232-V234 PolarHBondContact O-N 3.26Å; A232-I235 PolarHBondContact O-N 3.3Å; A232-A236 WeakPolarHBondContact O-CB 3.35Å; A232-A236 PolarHBondContact O-N 3.46Å |
| 233 | A | 97.6 | Very high | 96 | Very high | 48 Ų | 48 | 57.9 Ų | 57.9 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K229 R230 G231 A237 | K229-A233 PolarHBondContact O-N 3.06Å; K229-A233 VanDerWaalsContact O-N 3.13Å; R230-A233 PolarHBondContact O-N 2.83Å; G231-A233 VanDerWaalsContact C-N 3.34Å; G231-A233 PolarHBondContact O-N 3.29Å; A233-A237 PolarHBondContact O-N 3.23Å |
| 234 | V | 97 | Very high | 95.9 | Very high | 26 Ų | 26 | 62.9 Ų | 62.9 | 16% | 0.158 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | R230 G231 A232 A236 A237 R238 | R230-V234 WeakPolarHBondContact O-CG2 3.43Å; R230-V234 PolarHBondContact O-N 2.97Å; R230-V234 VanDerWaalsContact O-N 3.08Å; G231-V234 PolarHBondContact O-N 3.11Å; A232-V234 VanDerWaalsContact C-N 3.35Å; A232-V234 PolarHBondContact O-N 3.26Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.15Å; V234-A237 PolarHBondContact O-N 3.5Å; V234-R238 HydrophobicContact CG1-CG 4.25Å; V234-R238 WeakPolarHBondContact O-CB 3.22Å; V234-R238 PolarHBondContact O-N 2.97Å |
| 235 | I | 94.7 | Very high | 96 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 45% | 0.446 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 177 | -69.1 | 166.5 | 0 | 0 | 0 | 110.7 | G231 A232 A237 K239 | G231-I235 WeakPolarHBondContact O-CG1 3.38Å; G231-I235 PolarHBondContact O-N 3.19Å; A232-I235 PolarHBondContact O-N 3.3Å; I235-A237 VanDerWaalsContact C-N 3.27Å; I235-A237 PolarHBondContact O-N 3.36Å; I235-K239 WeakPolarHBondContact O-CA 3.44Å; I235-K239 PolarHBondContact O-N 3.33Å |
| 236 | A | 96.7 | Very high | 96 | Very high | 62 Ų | 62 | 63.3 Ų | 63.3 | 51% | 0.512 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.2 | -40.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A232 V234 K239 | A232-A236 WeakPolarHBondContact O-CB 3.35Å; A232-A236 PolarHBondContact O-N 3.46Å; V234-A236 VanDerWaalsContact C-N 3.34Å; V234-A236 PolarHBondContact O-N 3.15Å; A236-K239 PolarHBondContact O-NZ 3.14Å |
| 237 | A | 97.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 61.7 Ų | 61.7 | 69% | 0.686 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -78.3 | -47.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A233 V234 I235 | A233-A237 PolarHBondContact O-N 3.23Å; V234-A237 PolarHBondContact O-N 3.5Å; I235-A237 VanDerWaalsContact C-N 3.27Å; I235-A237 PolarHBondContact O-N 3.36Å |
| 238 | R | 95.6 | Very high | 96.1 | Very high | 132 Ų | 132 | 66 Ų | 66 | 50% | 0.498 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -90.9 | -15.4 | -173.9 | -68.2 | -172.9 | 68.7 | -149.7 | 2.8 | 114.4 | V234 L240 S241 | V234-R238 HydrophobicContact CG1-CG 4.25Å; V234-R238 WeakPolarHBondContact O-CB 3.22Å; V234-R238 PolarHBondContact O-N 2.97Å; R238-L240 PolarHBondContact O-N 3.14Å; R238-L240 VanDerWaalsContact O-N 3.08Å; R238-S241 PolarHBondContact NH1-O 2.97Å |
| 239 | K | 94.3 | Very high | 96.2 | Very high | 166 Ų | 166 | 63.9 Ų | 63.9 | 72% | 0.722 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 60 | 6.4 | -165.8 | -49.1 | -53.6 | -177 | -164.1 | 0 | 114.7 | I235 A236 | I235-K239 WeakPolarHBondContact O-CA 3.44Å; I235-K239 PolarHBondContact O-N 3.33Å; A236-K239 PolarHBondContact O-NZ 3.14Å |
| 240 | L | 90.8 | Very high | 96.3 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 50% | 0.503 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -132.8 | 156.9 | 178.8 | -67 | 172.5 | 0 | 0 | 0 | 109.4 | R238 | R238-L240 PolarHBondContact O-N 3.14Å; R238-L240 VanDerWaalsContact O-N 3.08Å |
| 241 | S | 90.4 | Very high | 96.3 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | trans | -62.9 | 163.1 | 175.3 | 65.7 | 0 | 0 | 0 | 0 | 112 | R238 A243 | R238-S241 PolarHBondContact NH1-O 2.97Å; S241-A243 PolarHBondContact O-N 2.85Å | ||
| 242 | S | 94.7 | Very high | 96.5 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 12% | 0.119 | 31% | 0.31 | C | S | . | . | trans | -78.3 | 54.5 | -177.4 | 63.7 | 0 | 0 | 0 | 0 | 112.8 | R162 L244 S245 A246 | R162-S242 PolarHBondContact NH2-OG 3.21Å; S242-L244 PolarHBondContact O-N 2.81Å; S242-S245 WeakPolarHBondContact CB-OG 3.41Å; S242-S245 PolarHBondContact O-N 3.23Å; S242-S245 PolarHBondContact O-OG 3.5Å; S242-A246 WeakPolarHBondContact O-CB 3.41Å; S242-A246 PolarHBondContact O-N 2.86Å | ||
| 243 | A | 96.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.033 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.2 | -49.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q15 I16 S241 S245 A246 A247 | Q15-A243 HydrophobicContact CB-CB 3.72Å; I16-A243 HydrophobicContact CG1-CB 4.07Å; S241-A243 PolarHBondContact O-N 2.85Å; A243-S245 PolarHBondContact O-N 2.65Å; A243-A246 PolarHBondContact O-N 3.32Å; A243-A247 WeakPolarHBondContact O-CB 3.5Å; A243-A247 PolarHBondContact O-N 3.2Å |
| 244 | L | 97.7 | Very high | 96.7 | Very high | 108 Ų | 108 | 48.1 Ų | 48.1 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56.9 | -50.6 | 179 | 175.3 | 63.8 | 0 | 0 | 0 | 112.2 | M23 S242 A246 A247 K248 | M23-L244 HydrophobicContact CE-CD1 3.88Å; S242-L244 PolarHBondContact O-N 2.81Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 2.94Å; L244-A247 PolarHBondContact O-N 3.04Å; L244-K248 PolarHBondContact O-N 2.58Å |
| 245 | S | 98.3 | Very high | 96.8 | Very high | 47 Ų | 47 | 50 Ų | 50 | 33% | 0.329 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.7 | -33.6 | -178.9 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | S242 A243 S249 | S242-S245 WeakPolarHBondContact CB-OG 3.41Å; S242-S245 PolarHBondContact O-N 3.23Å; S242-S245 PolarHBondContact O-OG 3.5Å; A243-S245 PolarHBondContact O-N 2.65Å; S245-S249 WeakPolarHBondContact O-CB 3.25Å; S245-S249 PolarHBondContact O-N 3.48Å; S245-S249 PolarHBondContact O-OG 3.01Å |
| 246 | A | 98.3 | Very high | 97 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -50.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | I16 L158 S242 A243 L244 K248 S249 V250 | I16-A246 HydrophobicContact CD1-CB 3.97Å; I16-A246 HydrophobicContact CG1-CB 4.13Å; L158-A246 HydrophobicContact CD2-CB 4.21Å; S242-A246 WeakPolarHBondContact O-CB 3.41Å; S242-A246 PolarHBondContact O-N 2.86Å; A243-A246 PolarHBondContact O-N 3.32Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-A246 PolarHBondContact O-N 2.94Å; A246-K248 VanDerWaalsContact C-N 3.35Å; A246-K248 PolarHBondContact O-N 3.49Å; A246-S249 WeakPolarHBondContact CA-OG 3.39Å; A246-S249 PolarHBondContact O-N 2.89Å; A246-S249 VanDerWaalsContact O-N 3.1Å; A246-S249 PolarHBondContact O-OG 3.09Å; A246-V250 WeakPolarHBondContact O-CG2 3.35Å; A246-V250 PolarHBondContact O-N 3.48Å |
| 247 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.4 | -47 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I16 L20 M23 A243 L244 S249 V250 S251 | I16-A247 HydrophobicContact CG2-CB 4.48Å; L20-A247 HydrophobicContact CB-CB 3.98Å; L20-A247 HydrophobicContact CD1-CB 4.07Å; L20-A247 WeakPolarHBondContact CD1-O 3.41Å; M23-A247 HydrophobicContact CE-CB 4.21Å; M23-A247 HydrophobicContact SD-CB 4.08Å; A243-A247 WeakPolarHBondContact O-CB 3.5Å; A243-A247 PolarHBondContact O-N 3.2Å; L244-A247 PolarHBondContact O-N 3.04Å; A247-S249 VanDerWaalsContact C-N 3.3Å; A247-S249 PolarHBondContact O-N 3.2Å; A247-V250 WeakPolarHBondContact O-CB 3.33Å; A247-V250 PolarHBondContact O-N 3.03Å; A247-V250 VanDerWaalsContact O-N 3.13Å; A247-S251 PolarHBondContact O-N 3.25Å |
| 248 | K | 98.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 39% | 0.391 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.1 | -42.6 | 175.9 | -178.8 | 54 | 165.3 | 72.5 | 0 | 112.3 | M23 L244 A246 V250 S251 D252 | M23-K248 HydrophobicContact CE-CB 4.21Å; M23-K248 HydrophobicContact SD-CB 4.41Å; L244-K248 PolarHBondContact O-N 2.58Å; A246-K248 VanDerWaalsContact C-N 3.35Å; A246-K248 PolarHBondContact O-N 3.49Å; K248-V250 VanDerWaalsContact C-N 3.33Å; K248-V250 PolarHBondContact O-N 2.88Å; K248-S251 WeakPolarHBondContact O-CB 3.48Å; K248-S251 PolarHBondContact O-N 3.36Å; K248-D252 IonicContact NZ-OD1 3.8Å; K248-D252 PolarHBondContact NZ-OD1 3.27Å; K248-D252 IonicContact NZ-OD2 2.75Å; K248-D252 PolarHBondContact NZ-OD2 2.92Å; K248-D252 VanDerWaalsContact O-CG 3.24Å; K248-D252 PolarHBondContact O-N 3.23Å |
| 249 | S | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.8 | -30.2 | 178.7 | 64.3 | 0 | 0 | 0 | 0 | 113.7 | R157 L158 S245 A246 A247 H253 | R157-S249 WeakPolarHBondContact CG-O 3.22Å; L158-S249 WeakPolarHBondContact CB-OG 3.35Å; S245-S249 WeakPolarHBondContact O-CB 3.25Å; S245-S249 PolarHBondContact O-N 3.48Å; S245-S249 PolarHBondContact O-OG 3.01Å; A246-S249 WeakPolarHBondContact CA-OG 3.39Å; A246-S249 PolarHBondContact O-N 2.89Å; A246-S249 VanDerWaalsContact O-N 3.1Å; A246-S249 PolarHBondContact O-OG 3.09Å; A247-S249 VanDerWaalsContact C-N 3.3Å; A247-S249 PolarHBondContact O-N 3.2Å; S249-H253 VanDerWaalsContact O-CB 3.25Å; S249-H253 WeakPolarHBondContact O-CB 3.2Å; S249-H253 PolarHBondContact O-N 3.36Å |
| 250 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -43.1 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 110 | L20 M29 L85 V127 V129 L155 A246 A247 K248 D252 H253 M254 | L20-V250 HydrophobicContact CD1-CB 3.98Å; L20-V250 HydrophobicContact CD1-CG1 4.12Å; L20-V250 HydrophobicContact CD2-CB 4.17Å; L20-V250 HydrophobicContact CD2-CG1 3.85Å; L20-V250 HydrophobicContact CD2-CG2 4.5Å; M29-V250 HydrophobicContact CE-CG1 4.32Å; L85-V250 HydrophobicContact CD2-CG1 3.99Å; V127-V250 HydrophobicContact CG1-CG1 4.03Å; V129-V250 HydrophobicContact CB-CG2 4.49Å; V129-V250 HydrophobicContact CG1-CG2 4.21Å; V129-V250 HydrophobicContact CG2-CG1 4.49Å; V129-V250 HydrophobicContact CG2-CG2 3.46Å; V129-V250 VanDerWaalsContact CG2-CG2 3.46Å; L155-V250 HydrophobicContact CD1-CG2 4.06Å; L155-V250 HydrophobicContact CD2-CG2 3.62Å; L155-V250 HydrophobicContact CG-CG2 4.46Å; A246-V250 WeakPolarHBondContact O-CG2 3.35Å; A246-V250 PolarHBondContact O-N 3.48Å; A247-V250 WeakPolarHBondContact O-CB 3.33Å; A247-V250 PolarHBondContact O-N 3.03Å; A247-V250 VanDerWaalsContact O-N 3.13Å; K248-V250 VanDerWaalsContact C-N 3.33Å; K248-V250 PolarHBondContact O-N 2.88Å; V250-D252 VanDerWaalsContact C-N 3.35Å; V250-D252 PolarHBondContact O-N 2.72Å; V250-H253 PolarHBondContact O-N 3.19Å; V250-M254 PolarHBondContact O-N 2.85Å |
| 251 | S | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.8 | -46.8 | 175.2 | -166.1 | 0 | 0 | 0 | 0 | 111.8 | D28 M29 A247 K248 M254 H255 | D28-S251 WeakPolarHBondContact CB-OG 3.42Å; M29-S251 WeakPolarHBondContact CG-OG 3.38Å; A247-S251 PolarHBondContact O-N 3.25Å; K248-S251 WeakPolarHBondContact O-CB 3.48Å; K248-S251 PolarHBondContact O-N 3.36Å; S251-M254 PolarHBondContact O-N 2.85Å; S251-H255 WeakPolarHBondContact O-CB 3.38Å; S251-H255 PolarHBondContact O-N 2.88Å |
| 252 | D | 98.6 | Very high | 98 | Very high | 26 Ų | 26 | 35.1 Ų | 35.1 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 178.4 | -69 | -22.1 | 0 | 0 | 0 | 112.4 | R157 N161 K248 V250 H255 D256 | R157-D252 HydrophobicContact CG-CB 4.01Å; R157-D252 VanDerWaalsContact NH1-C 3.32Å; R157-D252 PolarHBondContact NH1-O 3.27Å; R157-D252 VanDerWaalsContact NH1-O 3.07Å; N161-D252 PolarHBondContact ND2-OD2 3.43Å; K248-D252 IonicContact NZ-OD1 3.8Å; K248-D252 PolarHBondContact NZ-OD1 3.27Å; K248-D252 IonicContact NZ-OD2 2.75Å; K248-D252 PolarHBondContact NZ-OD2 2.92Å; K248-D252 VanDerWaalsContact O-CG 3.24Å; K248-D252 PolarHBondContact O-N 3.23Å; V250-D252 VanDerWaalsContact C-N 3.35Å; V250-D252 PolarHBondContact O-N 2.72Å; D252-H255 PolarHBondContact O-N 3.3Å; D252-D256 PolarHBondContact O-N 3.35Å |
| 253 | H | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.8 | -49.3 | 176.7 | -179.2 | 102.1 | 0 | 0 | 0 | 111.2 | S153 L155 R157 S249 V250 W257 M269 | S153-H253 PolarHBondContact OG-CE1 2.95Å; S153-H253 PolarHBondContact OG-NE2 2.85Å; L155-H253 HydrophobicContact CD1-CB 3.88Å; R157-H253 HydrophobicContact CB-CB 4.09Å; R157-H253 HydrophobicContact CG-CB 4.3Å; S249-H253 VanDerWaalsContact O-CB 3.25Å; S249-H253 WeakPolarHBondContact O-CB 3.2Å; S249-H253 PolarHBondContact O-N 3.36Å; V250-H253 PolarHBondContact O-N 3.19Å; H253-W257 AromaticContact NE2-CE3 3.73Å; H253-W257 VanDerWaalsContact O-CB 3.25Å; H253-W257 WeakPolarHBondContact O-CB 3.4Å; H253-W257 PolarHBondContact O-N 3.33Å; H253-M269 WeakPolarHBondContact CE1-CE 3.39Å; H253-M269 VanDerWaalsContact NE2-CE 3.34Å; H253-M269 WeakPolarHBondContact NE2-CE 3.45Å |
| 254 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.2 | -39.4 | 179.6 | -71.6 | -58.2 | -58 | 0 | 0 | 112.3 | M29 F30 A83 L85 K125 V127 V250 S251 W257 W258 | M29-M254 HydrophobicContact CB-CB 4.41Å; M29-M254 HydrophobicContact CG-CB 4.2Å; M29-M254 HydrophobicContact SD-CB 3.89Å; M29-M254 HydrophobicContact SD-CG 4.17Å; F30-M254 HydrophobicContact CE1-CE 4.22Å; F30-M254 HydrophobicContact CZ-CE 4.43Å; A83-M254 HydrophobicContact CB-CE 3.75Å; L85-M254 HydrophobicContact CD2-CG 3.69Å; L85-M254 HydrophobicContact CD2-SD 4.15Å; K125-M254 HydrophobicContact CB-CE 4.21Å; V127-M254 HydrophobicContact CB-SD 4.22Å; V127-M254 HydrophobicContact CG1-CG 4.06Å; V127-M254 HydrophobicContact CG1-SD 3.76Å; V250-M254 PolarHBondContact O-N 2.85Å; S251-M254 PolarHBondContact O-N 2.85Å; M254-W257 PolarHBondContact O-N 2.83Å; M254-W257 HydrophobicContact SD-CE3 4.06Å; M254-W258 HydrophobicContact CE-CE3 3.94Å; M254-W258 HydrophobicContact CE-CZ3 4.06Å; M254-W258 VanDerWaalsContact O-CB 3.3Å; M254-W258 WeakPolarHBondContact O-CB 3.32Å; M254-W258 PolarHBondContact O-N 3.21Å |
| 255 | H | 98.5 | Very high | 97.9 | Very high | 64 Ų | 64 | 41 Ų | 41 | 30% | 0.296 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.1 | -55.4 | 175.9 | 174.1 | -79.6 | 0 | 0 | 0 | 111.5 | M29 S251 D252 W257 W258 L259 | M29-H255 VanDerWaalsContact O-CA 3.23Å; M29-H255 WeakPolarHBondContact O-CA 3.3Å; S251-H255 WeakPolarHBondContact O-CB 3.38Å; S251-H255 PolarHBondContact O-N 2.88Å; D252-H255 PolarHBondContact O-N 3.3Å; H255-W257 VanDerWaalsContact C-N 3.29Å; H255-W257 PolarHBondContact O-N 2.6Å; H255-W258 PolarHBondContact O-N 2.95Å; H255-L259 WeakPolarHBondContact O-CB 3.38Å; H255-L259 PolarHBondContact O-N 3.3Å |
| 256 | D | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.5 | -32.8 | -177.8 | -63.5 | -17 | 0 | 0 | 0 | 111.1 | R157 D252 W258 G260 T261 I291 | R157-D256 IonicContact CZ-OD2 2.54Å; R157-D256 IonicContact NH1-OD2 2.79Å; R157-D256 PolarHBondContact NH1-OD2 3.45Å; R157-D256 IonicContact NH2-OD2 3.5Å; R157-D256 PolarHBondContact NH2-OD2 2.85Å; D252-D256 PolarHBondContact O-N 3.35Å; D256-W258 VanDerWaalsContact C-N 3.32Å; D256-W258 PolarHBondContact O-N 2.87Å; D256-G260 CarbonylContact O-C 3.52Å; D256-G260 WeakPolarHBondContact O-CA 3.44Å; D256-G260 PolarHBondContact O-N 3.14Å; D256-T261 HydrophobicContact CB-CG2 4.1Å; D256-I291 HydrophobicContact CB-CD1 4.22Å; D256-I291 WeakPolarHBondContact O-CG2 3.17Å |
| 257 | W | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -36.9 | 174.6 | -164.9 | 8 | 0 | 0 | 0 | 112.5 | K125 E150 N151 S153 H253 M254 H255 M269 I291 G294 W296 | K125-W257 HydrophobicContact CB-CD2 4.38Å; K125-W257 HydrophobicContact CB-CE3 4.1Å; K125-W257 HydrophobicContact CB-CH2 3.99Å; K125-W257 HydrophobicContact CB-CZ2 4.24Å; K125-W257 HydrophobicContact CB-CZ3 3.9Å; K125-W257 HydrophobicContact CD-CD2 3.77Å; K125-W257 HydrophobicContact CD-CE3 4.3Å; K125-W257 HydrophobicContact CD-CG 4.04Å; K125-W257 HydrophobicContact CD-CZ2 4.18Å; K125-W257 HydrophobicContact CG-CD2 4.43Å; K125-W257 HydrophobicContact CG-CH2 4.36Å; K125-W257 HydrophobicContact CG-CZ2 4.11Å; E150-W257 WeakPolarHBondContact O-CZ2 3.31Å; N151-W257 WeakPolarHBondContact O-CH2 3.09Å; S153-W257 WeakPolarHBondContact OG-CZ3 3.4Å; H253-W257 AromaticContact NE2-CE3 3.73Å; H253-W257 VanDerWaalsContact O-CB 3.25Å; H253-W257 WeakPolarHBondContact O-CB 3.4Å; H253-W257 PolarHBondContact O-N 3.33Å; M254-W257 PolarHBondContact O-N 2.83Å; M254-W257 HydrophobicContact SD-CE3 4.06Å; H255-W257 VanDerWaalsContact C-N 3.29Å; H255-W257 PolarHBondContact O-N 2.6Å; W257-M269 HydrophobicContact CB-CE 4.27Å; W257-M269 HydrophobicContact CD2-CE 3.69Å; W257-M269 HydrophobicContact CE3-CE 3.84Å; W257-M269 HydrophobicContact CG-CE 3.91Å; W257-M269 HydrophobicContact CZ3-CE 4.36Å; W257-I291 HydrophobicContact CB-CD1 4.24Å; W257-G294 PolarHBondContact NE1-O 3.36Å; W257-G294 VanDerWaalsContact O-CA 3.29Å; W257-G294 WeakPolarHBondContact O-CA 3.41Å; W257-W296 AromaticContact CE2-CD1 3.98Å; W257-W296 AromaticContact NE1-CD1 3.65Å |
| 258 | W | 97.7 | Very high | 98 | Very high | 69 Ų | 69 | 40.9 Ų | 40.9 | 26% | 0.261 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -82.1 | -46.7 | -178.2 | -145.3 | -86.7 | 0 | 0 | 0 | 112.6 | I5 F30 D82 A83 K125 M254 H255 D256 | I5-W258 HydrophobicContact CD1-CH2 4.45Å; I5-W258 HydrophobicContact CD1-CZ2 3.59Å; I5-W258 HydrophobicContact CG1-CZ2 4.29Å; I5-W258 HydrophobicContact CG2-CH2 4.46Å; I5-W258 HydrophobicContact CG2-CZ2 4.5Å; F30-W258 HydrophobicContact CD1-CB 4.33Å; F30-W258 AromaticContact CD1-CD2 3.69Å; F30-W258 HydrophobicContact CD1-CD2 3.69Å; F30-W258 HydrophobicContact CD1-CE3 4.02Å; F30-W258 AromaticContact CD1-CG 3.82Å; F30-W258 HydrophobicContact CD1-CG 3.82Å; F30-W258 AromaticContact CE1-CD2 3.77Å; F30-W258 HydrophobicContact CE1-CD2 3.77Å; F30-W258 AromaticContact CE1-CE3 3.58Å; F30-W258 HydrophobicContact CE1-CE3 3.58Å; F30-W258 HydrophobicContact CE1-CG 4.28Å; F30-W258 HydrophobicContact CE1-CH2 4.46Å; F30-W258 AromaticContact CE1-CZ3 3.94Å; F30-W258 HydrophobicContact CE1-CZ3 3.94Å; D82-W258 HydrophobicContact CB-CH2 4.08Å; A83-W258 HydrophobicContact CB-CZ3 4.1Å; K125-W258 HydrophobicContact CB-CZ3 4.06Å; K125-W258 HydrophobicContact CD-CE3 3.76Å; K125-W258 HydrophobicContact CD-CZ3 3.75Å; K125-W258 HydrophobicContact CG-CZ3 4.06Å; M254-W258 HydrophobicContact CE-CE3 3.94Å; M254-W258 HydrophobicContact CE-CZ3 4.06Å; M254-W258 VanDerWaalsContact O-CB 3.3Å; M254-W258 WeakPolarHBondContact O-CB 3.32Å; M254-W258 PolarHBondContact O-N 3.21Å; H255-W258 PolarHBondContact O-N 2.95Å; D256-W258 VanDerWaalsContact C-N 3.32Å; D256-W258 PolarHBondContact O-N 2.87Å |
| 259 | L | 97.2 | Very high | 98 | Very high | 90 Ų | 90 | 36.7 Ų | 36.7 | 47% | 0.471 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -99.9 | -11.7 | -169.9 | -55.6 | -175.9 | 0 | 0 | 0 | 113.3 | H255 | H255-L259 WeakPolarHBondContact O-CB 3.38Å; H255-L259 PolarHBondContact O-N 3.3Å |
| 260 | G | 98.3 | Very high | 98 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | trans | 92.9 | 163.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D256 I291 | D256-G260 CarbonylContact O-C 3.52Å; D256-G260 WeakPolarHBondContact O-CA 3.44Å; D256-G260 PolarHBondContact O-N 3.14Å; G260-I291 CarbonylContact C-O 3.55Å; G260-I291 VanDerWaalsContact CA-O 3.26Å; G260-I291 WeakPolarHBondContact CA-O 3.08Å | ||
| 261 | T | 98.4 | Very high | 98 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 17% | 0.172 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -91.7 | 156.4 | 170.4 | 55.2 | 0 | 0 | 0 | 0 | 110 | D256 E265 V267 I291 | D256-T261 HydrophobicContact CB-CG2 4.1Å; T261-E265 PolarHBondContact OG1-O 2.98Å; T261-V267 HydrophobicContact CG2-CG1 4.03Å; T261-V267 HydrophobicContact CG2-CG2 3.94Å; T261-I291 HydrophobicContact CG2-CB 4.12Å; T261-I291 HydrophobicContact CG2-CD1 4.29Å; T261-I291 HydrophobicContact CG2-CG1 4.03Å; T261-I291 PolarHBondContact N-O 2.83Å; T261-I291 PolarHBondContact OG1-N 2.92Å; T261-I291 PolarHBondContact OG1-O 3.46Å |
| 262 | K | 96.8 | Very high | 98 | Very high | 148 Ų | 148 | 37.7 Ų | 37.7 | 64% | 0.643 | 19% | 0.19 | S | C | * | . | P | Polyproline II helix | trans | -65.6 | 152.7 | 169.9 | -65.2 | 175.7 | -173.4 | 165.6 | 0 | 110.3 | G264 E265 | K262-G264 PolarHBondContact O-N 2.97Å; K262-E265 HydrophobicContact CB-CB 4.21Å; K262-E265 HydrophobicContact CB-CG 4.09Å; K262-E265 PolarHBondContact O-N 3.45Å |
| 263 | E | 95.2 | Very high | 98 | Very high | 170 Ų | 170 | 36.7 Ų | 36.7 | 79% | 0.794 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 131.5 | 175.4 | -170.5 | 62.8 | -152.1 | 0 | 0 | 110.2 | E265 | E263-E265 PolarHBondContact O-N 3.29Š|
| 264 | G | 94.3 | Very high | 98 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 38% | 0.381 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | -6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N180 K262 | N180-G264 PolarHBondContact ND2-O 3.11Å; N180-G264 PolarHBondContact OD1-O 3.1Å; K262-G264 PolarHBondContact O-N 2.97Å |
| 265 | E | 97.5 | Very high | 97.9 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 22% | 0.22 | 22% | 0.219 | C | C | . | . | trans | -96.5 | 133.9 | 177.2 | -67.8 | -174.9 | -161.7 | 0 | 0 | 111.5 | K179 N180 T261 K262 E263 | K179-E265 HydrophobicContact CD-CG 3.95Å; K179-E265 WeakPolarHBondContact CE-OE1 3.38Å; K179-E265 HydrophobicContact CG-CG 4.47Å; K179-E265 IonicContact NZ-OE1 3.61Å; K179-E265 PolarHBondContact NZ-OE1 3.23Å; N180-E265 WeakPolarHBondContact OD1-CA 3.31Å; T261-E265 PolarHBondContact OG1-O 2.98Å; K262-E265 HydrophobicContact CB-CB 4.21Å; K262-E265 HydrophobicContact CB-CG 4.09Å; K262-E265 PolarHBondContact O-N 3.45Å; E263-E265 PolarHBondContact O-N 3.29Å | ||
| 266 | W | 98.4 | Very high | 97.9 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | trans | -115.4 | 144.7 | -178.9 | -47 | -23.9 | 0 | 0 | 0 | 110.5 | H160 N180 I182 H197 P288 V289 Q290 V299 L302 | H160-W266 PolarHBondContact CE1-O 3.32Å; N180-W266 HydrophobicContact CB-CD2 3.99Å; N180-W266 HydrophobicContact CB-CE3 3.64Å; N180-W266 HydrophobicContact CB-CG 4.43Å; N180-W266 HydrophobicContact CB-CZ3 4.08Å; N180-W266 PolarHBondContact OD1-N 2.77Å; I182-W266 HydrophobicContact CD1-CE3 4.06Å; I182-W266 HydrophobicContact CD1-CZ3 4.02Å; I182-W266 HydrophobicContact CG1-CE3 4.36Å; H197-W266 HydrophobicContact CB-CH2 4.07Å; H197-W266 HydrophobicContact CB-CZ3 3.63Å; W266-P288 HydrophobicContact CE3-CB 4.37Å; W266-V289 WeakPolarHBondContact CA-O 3.39Å; W266-Q290 VanDerWaalsContact CD1-CG 3.49Å; W266-V299 HydrophobicContact CB-CG2 4.47Å; W266-V299 HydrophobicContact CD2-CG1 4.25Å; W266-V299 HydrophobicContact CD2-CG2 4.03Å; W266-V299 HydrophobicContact CG-CG2 3.84Å; W266-V299 HydrophobicContact CH2-CG1 4.29Å; W266-V299 HydrophobicContact CZ2-CG1 3.91Å; W266-L302 HydrophobicContact CH2-CD2 3.51Å; W266-L302 HydrophobicContact CZ2-CD2 4.37Å; W266-L302 HydrophobicContact CZ3-CD1 4.15Å; W266-L302 HydrophobicContact CZ3-CD2 3.79Å | ||
| 267 | V | 98.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 158.2 | 171.6 | -63.5 | 0 | 0 | 0 | 0 | 109.8 | T261 M269 V289 I291 | T261-V267 HydrophobicContact CG2-CG1 4.03Å; T261-V267 HydrophobicContact CG2-CG2 3.94Å; V267-M269 HydrophobicContact CG2-CG 4.33Å; V267-V289 HydrophobicContact CG2-CG2 3.82Å; V267-V289 PolarHBondContact N-O 2.81Å; V267-V289 PolarHBondContact O-N 3.1Å; V267-I291 HydrophobicContact CG2-CD1 4.02Å |
| 268 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.3 | 174.5 | -51.9 | 0 | 0 | 0 | 0 | 110.6 | H160 I183 F287 | H160-S268 PolarHBondContact ND1-OG 2.7Å; H160-S268 VanDerWaalsContact ND1-OG 3.1Å; I183-S268 PolarHBondContact N-OG 2.95Å; S268-F287 WeakPolarHBondContact CA-O 3.47Å |
| 269 | M | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.6 | 174.1 | -67.4 | -178.9 | 70 | 0 | 0 | 109 | H253 W257 V267 V271 S286 F287 V289 I291 W296 | H253-M269 WeakPolarHBondContact CE1-CE 3.39Å; H253-M269 VanDerWaalsContact NE2-CE 3.34Å; H253-M269 WeakPolarHBondContact NE2-CE 3.45Å; W257-M269 HydrophobicContact CB-CE 4.27Å; W257-M269 HydrophobicContact CD2-CE 3.69Å; W257-M269 HydrophobicContact CE3-CE 3.84Å; W257-M269 HydrophobicContact CG-CE 3.91Å; W257-M269 HydrophobicContact CZ3-CE 4.36Å; V267-M269 HydrophobicContact CG2-CG 4.33Å; M269-V271 HydrophobicContact CB-CG1 3.94Å; M269-V271 PolarHBondContact O-N 3.45Å; M269-S286 WeakPolarHBondContact O-CA 3.33Å; M269-F287 PolarHBondContact N-O 3.31Å; M269-F287 PolarHBondContact O-N 3.29Å; M269-V289 HydrophobicContact CB-CG1 4.44Å; M269-V289 HydrophobicContact CB-CG2 3.87Å; M269-V289 HydrophobicContact CG-CG2 3.65Å; M269-V289 HydrophobicContact SD-CG2 3.54Å; M269-V289 VanDerWaalsContact SD-CG2 3.54Å; M269-I291 HydrophobicContact SD-CD1 3.45Å; M269-I291 WeakPolarHBondContact SD-CD1 3.22Å; M269-I291 HydrophobicContact SD-CG1 4.33Å; M269-W296 HydrophobicContact SD-CB 4.39Å |
| 270 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 116.9 | 166.1 | -58.8 | 0 | 0 | 0 | 0 | 109.5 | N134 S153 A154 T156 F285 S286 | N134-S270 PolarHBondContact ND2-OG 3.18Å; S153-S270 CarbonylContact C-O 3.48Å; S153-S270 WeakPolarHBondContact CA-O 3.45Å; S153-S270 VanDerWaalsContact CB-O 3.31Å; S153-S270 WeakPolarHBondContact CB-O 3.5Å; A154-S270 PolarHBondContact N-O 3.49Å; A154-S270 VanDerWaalsContact O-CB 3.31Å; A154-S270 WeakPolarHBondContact O-CB 3.5Å; A154-S270 PolarHBondContact O-N 2.85Å; T156-S270 VanDerWaalsContact CG2-OG 3.27Å; T156-S270 WeakPolarHBondContact CG2-OG 3.4Å; T156-S270 PolarHBondContact OG1-N 2.77Å; T156-S270 PolarHBondContact OG1-OG 2.96Å; S270-F285 VanDerWaalsContact CA-O 3.31Å; S270-F285 WeakPolarHBondContact CA-O 3.25Å; S270-S286 WeakPolarHBondContact OG-CB 3.16Å |
| 271 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 168.1 | -174.6 | -64.7 | 0 | 0 | 0 | 0 | 110 | M269 S273 I284 F285 F287 W296 I298 | M269-V271 HydrophobicContact CB-CG1 3.94Å; M269-V271 PolarHBondContact O-N 3.45Å; V271-S273 PolarHBondContact O-N 2.95Å; V271-I284 CarbonylContact O-C 3.54Å; V271-I284 WeakPolarHBondContact O-CA 3.45Å; V271-F285 PolarHBondContact N-O 3.5Å; V271-F285 PolarHBondContact O-N 3.25Å; V271-F287 HydrophobicContact CG2-CD2 3.88Å; V271-W296 HydrophobicContact CB-CD2 4.39Å; V271-W296 HydrophobicContact CB-CE3 4.49Å; V271-W296 HydrophobicContact CB-CH2 3.78Å; V271-W296 HydrophobicContact CB-CZ2 3.61Å; V271-W296 HydrophobicContact CB-CZ3 4.23Å; V271-W296 HydrophobicContact CG1-CD2 3.94Å; V271-W296 HydrophobicContact CG1-CE3 4.4Å; V271-W296 HydrophobicContact CG1-CG 4.35Å; V271-W296 HydrophobicContact CG1-CH2 4.37Å; V271-W296 HydrophobicContact CG1-CZ2 3.88Å; V271-W296 HydrophobicContact CG2-CE3 4.17Å; V271-W296 HydrophobicContact CG2-CH2 3.78Å; V271-W296 HydrophobicContact CG2-CZ2 4.12Å; V271-W296 HydrophobicContact CG2-CZ3 3.81Å; V271-I298 HydrophobicContact CG2-CD1 4.5Å; V271-I298 HydrophobicContact CG2-CG1 4.45Å |
| 272 | I | 98.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 122.3 | 176.4 | -171.3 | 56.7 | 0 | 0 | 0 | 110.8 | M141 K149 I284 W296 | M141-I272 HydrophobicContact CE-CD1 3.63Å; M141-I272 HydrophobicContact CE-CG1 4.24Å; M141-I272 HydrophobicContact SD-CB 4.29Å; M141-I272 HydrophobicContact SD-CD1 4.27Å; M141-I272 HydrophobicContact SD-CG1 4.28Å; K149-I272 HydrophobicContact CB-CG2 4.17Å; I272-I284 HydrophobicContact CB-CD1 4.13Å; I272-I284 HydrophobicContact CD1-CD1 4.35Å; I272-W296 HydrophobicContact CG2-CH2 4.31Å; I272-W296 HydrophobicContact CG2-CZ2 4.36Å |
| 273 | S | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -75.2 | 129.6 | -179 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | V271 G275 A279 P280 D282 V283 | V271-S273 PolarHBondContact O-N 2.95Å; S273-G275 PolarHBondContact OG-N 3.32Å; S273-A279 WeakPolarHBondContact OG-CB 3.34Å; S273-P280 WeakPolarHBondContact CB-O 3.22Å; S273-P280 PolarHBondContact OG-O 2.88Å; S273-D282 PolarHBondContact O-N 3.23Å; S273-V283 WeakPolarHBondContact CB-O 3.43Å; S273-V283 PolarHBondContact N-O 2.9Å | ||
| 274 | D | 97.8 | Very high | 97.9 | Very high | 93 Ų | 93 | 34.2 Ų | 34.2 | 50% | 0.497 | 19% | 0.187 | S | C | . | . | trans | -94.9 | 1.4 | 172.9 | 64.6 | -2.2 | 0 | 0 | 0 | 113.2 | S276 K281 | D274-S276 WeakPolarHBondContact OD1-CB 3.32Å; D274-S276 PolarHBondContact OD1-N 2.92Å; D274-S276 PolarHBondContact OD1-OG 3.4Å; D274-S276 PolarHBondContact OD2-OG 3.36Å; D274-K281 VanDerWaalsContact O-CE 3.28Å; D274-K281 WeakPolarHBondContact O-CE 3.18Å | ||
| 275 | G | 98.1 | Very high | 98.2 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 96.3 | 2.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S273 Y277 D278 A279 | S273-G275 PolarHBondContact OG-N 3.32Å; G275-Y277 PolarHBondContact O-N 3.15Å; G275-D278 PolarHBondContact O-N 3.39Å; G275-A279 WeakPolarHBondContact CA-O 3.34Å |
| 276 | S | 98.3 | Very high | 98.2 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -50.5 | 135.9 | 174.7 | -70.3 | 0 | 0 | 0 | 0 | 111.6 | D274 D278 A279 Q300 | D274-S276 WeakPolarHBondContact OD1-CB 3.32Å; D274-S276 PolarHBondContact OD1-N 2.92Å; D274-S276 PolarHBondContact OD1-OG 3.4Å; D274-S276 PolarHBondContact OD2-OG 3.36Å; S276-D278 PolarHBondContact O-N 3.35Å; S276-A279 VanDerWaalsContact O-CB 3.27Å; S276-A279 WeakPolarHBondContact O-CB 3.29Å; S276-A279 PolarHBondContact O-N 2.86Å; S276-Q300 PolarHBondContact OG-NE2 3.5Å |
| 277 | Y | 98.1 | Very high | 98.2 | Very high | 39 Ų | 39 | 28.3 Ų | 28.3 | 15% | 0.153 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | 56.6 | 29.8 | 179.9 | -53.7 | -78.9 | 0 | 0 | 0 | 114.7 | W184 G275 A279 F287 I298 V299 Q300 G301 L302 L304 F312 | W184-Y277 AromaticContact CH2-CD2 3.75Å; W184-Y277 HydrophobicContact CH2-CD2 3.75Å; W184-Y277 AromaticContact CH2-CE2 3.68Å; W184-Y277 HydrophobicContact CH2-CE2 3.68Å; W184-Y277 HydrophobicContact CH2-CG 4.2Å; W184-Y277 AromaticContact CZ3-CD2 3.6Å; W184-Y277 HydrophobicContact CZ3-CD2 3.6Å; W184-Y277 AromaticContact CZ3-CE2 3.91Å; W184-Y277 HydrophobicContact CZ3-CE2 3.91Å; W184-Y277 HydrophobicContact CZ3-CG 4.15Å; G275-Y277 PolarHBondContact O-N 3.15Å; Y277-A279 PolarHBondContact O-N 3.33Å; Y277-F287 HydrophobicContact CD2-CD1 4.37Å; Y277-F287 HydrophobicContact CD2-CE1 4.36Å; Y277-I298 HydrophobicContact CE2-CG2 4.1Å; Y277-V299 WeakPolarHBondContact CE2-O 3.24Å; Y277-V299 PolarHBondContact OH-O 3.04Å; Y277-Q300 WeakPolarHBondContact OH-CA 3.36Å; Y277-G301 PolarHBondContact OH-N 3.45Å; Y277-L302 HydrophobicContact CE1-CB 3.93Å; Y277-L302 WeakPolarHBondContact CE1-O 3.49Å; Y277-L302 WeakPolarHBondContact OH-CB 3.4Å; Y277-L302 WeakPolarHBondContact OH-CG 3.2Å; Y277-L302 PolarHBondContact OH-N 3.23Å; Y277-L302 VanDerWaalsContact OH-N 3.12Å; Y277-L304 HydrophobicContact CD1-CD1 4.37Å; Y277-F312 VanDerWaalsContact O-CE1 3.28Å; Y277-F312 WeakPolarHBondContact O-CE1 3.37Å; Y277-F312 VanDerWaalsContact O-CZ 3.31Å; Y277-F312 WeakPolarHBondContact O-CZ 3.28Å |
| 278 | D | 96.2 | Very high | 98.3 | Very high | 156 Ų | 156 | 27.9 Ų | 27.9 | 83% | 0.834 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | 63.4 | 20 | -175.8 | -52.9 | -49 | 0 | 0 | 0 | 113.9 | G275 S276 | G275-D278 PolarHBondContact O-N 3.39Å; S276-D278 PolarHBondContact O-N 3.35Å |
| 279 | A | 98.3 | Very high | 98.3 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 5% | 0.05 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 144.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110 | S273 G275 S276 Y277 K281 F285 F287 F312 | S273-A279 WeakPolarHBondContact OG-CB 3.34Å; G275-A279 WeakPolarHBondContact CA-O 3.34Å; S276-A279 VanDerWaalsContact O-CB 3.27Å; S276-A279 WeakPolarHBondContact O-CB 3.29Å; S276-A279 PolarHBondContact O-N 2.86Å; Y277-A279 PolarHBondContact O-N 3.33Å; A279-K281 PolarHBondContact O-N 2.82Å; A279-F285 HydrophobicContact CB-CD1 4.41Å; A279-F285 HydrophobicContact CB-CD2 4.38Å; A279-F285 HydrophobicContact CB-CE2 4.48Å; A279-F285 HydrophobicContact CB-CG 4.37Å; A279-F287 HydrophobicContact CB-CE1 4Å; A279-F287 HydrophobicContact CB-CZ 3.57Å; A279-F312 HydrophobicContact CB-CE1 4.29Å; A279-F312 HydrophobicContact CB-CZ 3.88Å |
| 280 | P | 97.9 | Very high | 98.2 | Very high | 17 Ų | 17 | 30.4 Ų | 30.4 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 135.4 | 171.1 | 21 | -30.3 | 0 | 0 | 0 | 109.9 | S273 V283 A316 K320 | S273-P280 WeakPolarHBondContact CB-O 3.22Å; S273-P280 PolarHBondContact OG-O 2.88Å; P280-V283 HydrophobicContact CB-CG1 4.49Å; P280-V283 HydrophobicContact CB-CG2 4.21Å; P280-V283 HydrophobicContact CG-CG1 4.47Å; P280-V283 HydrophobicContact CG-CG2 3.7Å; P280-V283 WeakPolarHBondContact O-CG2 3.36Å; P280-A316 HydrophobicContact CG-CB 4.31Å; P280-K320 HydrophobicContact CB-CD 3.88Å; P280-K320 HydrophobicContact CB-CG 3.58Å; P280-K320 HydrophobicContact CG-CD 4.34Å; P280-K320 HydrophobicContact CG-CG 3.87Å |
| 281 | K | 97.4 | Very high | 98.2 | Very high | 134 Ų | 134 | 30.6 Ų | 30.6 | 58% | 0.583 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 154.7 | 172.8 | -67.3 | -175.6 | 178.8 | -173.8 | 0 | 110.4 | D274 A279 V283 R323 | D274-K281 VanDerWaalsContact O-CE 3.28Å; D274-K281 WeakPolarHBondContact O-CE 3.18Å; A279-K281 PolarHBondContact O-N 2.82Å; K281-V283 VanDerWaalsContact C-N 3.3Å; K281-V283 PolarHBondContact O-N 3.43Å; K281-R323 PolarHBondContact O-NH1 3.29Å |
| 282 | D | 95.8 | Very high | 98.2 | Very high | 73 Ų | 73 | 37.7 Ų | 37.7 | 39% | 0.39 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 40.5 | 176 | -60.6 | -63.3 | 0 | 0 | 0 | 113.6 | K149 S273 R323 | K149-D282 IonicContact NZ-OD1 3.92Å; S273-D282 PolarHBondContact O-N 3.23Å; D282-R323 WeakPolarHBondContact O-CD 3.3Å; D282-R323 PolarHBondContact O-NH1 3.34Å; D282-R323 VanDerWaalsContact O-NH1 3.09Å |
| 283 | V | 98.2 | Very high | 98.1 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -126.7 | 157.9 | 161.2 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | S273 P280 K281 F285 R323 | S273-V283 WeakPolarHBondContact CB-O 3.43Å; S273-V283 PolarHBondContact N-O 2.9Å; P280-V283 HydrophobicContact CB-CG1 4.49Å; P280-V283 HydrophobicContact CB-CG2 4.21Å; P280-V283 HydrophobicContact CG-CG1 4.47Å; P280-V283 HydrophobicContact CG-CG2 3.7Å; P280-V283 WeakPolarHBondContact O-CG2 3.36Å; K281-V283 VanDerWaalsContact C-N 3.3Å; K281-V283 PolarHBondContact O-N 3.43Å; V283-F285 HydrophobicContact CG2-CB 4.08Å; V283-R323 HydrophobicContact CG1-CB 4.35Å |
| 284 | I | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113 | 167.7 | -60.4 | -63 | 0 | 0 | 0 | 107.8 | N134 A137 L138 M141 A154 V271 I272 | N134-I284 HydrophobicContact CB-CB 4.4Å; N134-I284 HydrophobicContact CB-CG2 4.39Å; N134-I284 WeakPolarHBondContact CB-O 3.31Å; N134-I284 PolarHBondContact ND2-O 3.18Å; N134-I284 WeakPolarHBondContact O-CB 3.36Å; A137-I284 HydrophobicContact CB-CB 4.39Å; A137-I284 HydrophobicContact CB-CG1 3.91Å; A137-I284 HydrophobicContact CB-CG2 4.08Å; L138-I284 HydrophobicContact CB-CG1 3.97Å; M141-I284 HydrophobicContact CE-CD1 4.47Å; M141-I284 HydrophobicContact SD-CD1 4.41Å; A154-I284 HydrophobicContact CB-CG2 3.91Å; V271-I284 CarbonylContact O-C 3.54Å; V271-I284 WeakPolarHBondContact O-CA 3.45Å; I272-I284 HydrophobicContact CB-CD1 4.13Å; I272-I284 HydrophobicContact CD1-CD1 4.35Å |
| 285 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 139.3 | -171.8 | -171.7 | -77.1 | 0 | 0 | 0 | 109.9 | W184 G185 S270 V271 A279 V283 F287 F312 T315 A316 L319 | W184-F285 HydrophobicContact CB-CE1 4.31Å; W184-F285 HydrophobicContact CE3-CE1 4.3Å; G185-F285 VanDerWaalsContact CA-CE2 3.42Å; S270-F285 VanDerWaalsContact CA-O 3.31Å; S270-F285 WeakPolarHBondContact CA-O 3.25Å; V271-F285 PolarHBondContact N-O 3.5Å; V271-F285 PolarHBondContact O-N 3.25Å; A279-F285 HydrophobicContact CB-CD1 4.41Å; A279-F285 HydrophobicContact CB-CD2 4.38Å; A279-F285 HydrophobicContact CB-CE2 4.48Å; A279-F285 HydrophobicContact CB-CG 4.37Å; V283-F285 HydrophobicContact CG2-CB 4.08Å; F285-F287 HydrophobicContact CB-CD2 4.41Å; F285-F287 HydrophobicContact CB-CE2 3.69Å; F285-F287 HydrophobicContact CB-CZ 4.12Å; F285-F287 HydrophobicContact CD1-CD1 4.23Å; F285-F287 HydrophobicContact CD1-CD2 4.01Å; F285-F287 AromaticContact CD1-CE1 3.82Å; F285-F287 HydrophobicContact CD1-CE1 3.82Å; F285-F287 AromaticContact CD1-CE2 3.62Å; F285-F287 HydrophobicContact CD1-CE2 3.62Å; F285-F287 HydrophobicContact CD1-CG 4.3Å; F285-F287 AromaticContact CD1-CZ 3.5Å; F285-F287 HydrophobicContact CD1-CZ 3.5Å; F285-F287 HydrophobicContact CE1-CE1 4.13Å; F285-F287 HydrophobicContact CE1-CZ 4.22Å; F285-F287 HydrophobicContact CG-CE2 4.05Å; F285-F287 HydrophobicContact CG-CZ 4.06Å; F285-F287 WeakPolarHBondContact O-CD2 3.48Å; F285-F287 WeakPolarHBondContact O-CE2 3.42Å; F285-F312 HydrophobicContact CE1-CD2 4.44Å; F285-F312 AromaticContact CE1-CE2 3.67Å; F285-F312 HydrophobicContact CE1-CE2 3.67Å; F285-F312 AromaticContact CE1-CZ 3.82Å; F285-F312 HydrophobicContact CE1-CZ 3.82Å; F285-F312 HydrophobicContact CE2-CZ 4.4Å; F285-F312 HydrophobicContact CZ-CD1 4.46Å; F285-F312 HydrophobicContact CZ-CD2 4.08Å; F285-F312 AromaticContact CZ-CE1 3.99Å; F285-F312 HydrophobicContact CZ-CE1 3.99Å; F285-F312 AromaticContact CZ-CE2 3.58Å; F285-F312 HydrophobicContact CZ-CE2 3.58Å; F285-F312 AromaticContact CZ-CZ 3.54Å; F285-F312 HydrophobicContact CZ-CZ 3.54Å; F285-T315 HydrophobicContact CE2-CG2 4.35Å; F285-T315 HydrophobicContact CZ-CG2 4.25Å; F285-A316 HydrophobicContact CE2-CB 3.99Å; F285-L319 HydrophobicContact CB-CD1 4.21Å; F285-L319 HydrophobicContact CD2-CD1 3.48Å; F285-L319 VanDerWaalsContact CD2-CD1 3.48Å; F285-L319 HydrophobicContact CE2-CD1 4.22Å; F285-L319 HydrophobicContact CG-CD1 4.15Å |
| 286 | S | 99 | Very high | 98 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 125.2 | 178.8 | -167 | 0 | 0 | 0 | 0 | 112 | T156 I183 W184 G185 M269 S270 | T156-S286 WeakPolarHBondContact CB-OG 3.3Å; T156-S286 PolarHBondContact OG1-OG 3.07Å; I183-S286 CarbonylContact O-C 3.54Å; I183-S286 WeakPolarHBondContact O-CB 3.2Å; I183-S286 PolarHBondContact O-OG 2.96Å; W184-S286 WeakPolarHBondContact CA-O 3.2Å; G185-S286 PolarHBondContact N-O 3.33Å; G185-S286 WeakPolarHBondContact O-CB 3.32Å; G185-S286 PolarHBondContact O-N 3.16Å; M269-S286 WeakPolarHBondContact O-CA 3.33Å; S270-S286 WeakPolarHBondContact OG-CB 3.16Å |
| 287 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 157.7 | 176.1 | -67.4 | -82.7 | 0 | 0 | 0 | 110.4 | W184 S268 M269 V271 Y277 A279 F285 V289 I298 | W184-F287 HydrophobicContact CE3-CD1 4.07Å; W184-F287 AromaticContact CZ3-CD1 3.71Å; W184-F287 HydrophobicContact CZ3-CD1 3.71Å; W184-F287 HydrophobicContact CZ3-CE1 4.35Å; S268-F287 WeakPolarHBondContact CA-O 3.47Å; M269-F287 PolarHBondContact N-O 3.31Å; M269-F287 PolarHBondContact O-N 3.29Å; V271-F287 HydrophobicContact CG2-CD2 3.88Å; Y277-F287 HydrophobicContact CD2-CD1 4.37Å; Y277-F287 HydrophobicContact CD2-CE1 4.36Å; A279-F287 HydrophobicContact CB-CE1 4Å; A279-F287 HydrophobicContact CB-CZ 3.57Å; F285-F287 HydrophobicContact CB-CD2 4.41Å; F285-F287 HydrophobicContact CB-CE2 3.69Å; F285-F287 HydrophobicContact CB-CZ 4.12Å; F285-F287 HydrophobicContact CD1-CD1 4.23Å; F285-F287 HydrophobicContact CD1-CD2 4.01Å; F285-F287 AromaticContact CD1-CE1 3.82Å; F285-F287 HydrophobicContact CD1-CE1 3.82Å; F285-F287 AromaticContact CD1-CE2 3.62Å; F285-F287 HydrophobicContact CD1-CE2 3.62Å; F285-F287 HydrophobicContact CD1-CG 4.3Å; F285-F287 AromaticContact CD1-CZ 3.5Å; F285-F287 HydrophobicContact CD1-CZ 3.5Å; F285-F287 HydrophobicContact CE1-CE1 4.13Å; F285-F287 HydrophobicContact CE1-CZ 4.22Å; F285-F287 HydrophobicContact CG-CE2 4.05Å; F285-F287 HydrophobicContact CG-CZ 4.06Å; F285-F287 WeakPolarHBondContact O-CD2 3.48Å; F285-F287 WeakPolarHBondContact O-CE2 3.42Å; F287-V289 HydrophobicContact CB-CG1 4.31Å; F287-V289 PolarHBondContact O-N 2.99Å; F287-I298 HydrophobicContact CB-CD1 4.42Å; F287-I298 HydrophobicContact CB-CG1 3.99Å; F287-I298 HydrophobicContact CB-CG2 4.14Å; F287-I298 HydrophobicContact CD1-CD1 4.19Å; F287-I298 HydrophobicContact CD1-CG2 3.99Å; F287-I298 HydrophobicContact CD2-CD1 3.76Å; F287-I298 HydrophobicContact CD2-CG1 4.2Å; F287-I298 HydrophobicContact CE1-CD1 4.42Å; F287-I298 HydrophobicContact CE2-CD1 3.97Å; F287-I298 HydrophobicContact CG-CD1 3.88Å; F287-I298 HydrophobicContact CG-CG1 4Å; F287-I298 HydrophobicContact CG-CG2 4.19Å; F287-I298 HydrophobicContact CZ-CD1 4.31Å |
| 288 | P | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 126.6 | 157.6 | 29.2 | -29.9 | 0 | 0 | 0 | 108.7 | I182 W184 W266 V299 L302 | I182-P288 HydrophobicContact CB-CB 4.5Å; I182-P288 HydrophobicContact CD1-CB 4.04Å; I182-P288 HydrophobicContact CD1-CG 4.11Å; I182-P288 HydrophobicContact CG1-CB 4.03Å; I182-P288 HydrophobicContact CG2-CB 3.75Å; I182-P288 HydrophobicContact CG2-CG 3.77Å; W184-P288 HydrophobicContact CH2-CG 3.53Å; W184-P288 HydrophobicContact CZ2-CG 3.8Å; W184-P288 HydrophobicContact CZ3-CG 4.07Å; W266-P288 HydrophobicContact CE3-CB 4.37Å; P288-V299 HydrophobicContact CB-CB 4.19Å; P288-V299 HydrophobicContact CB-CG2 4.23Å; P288-V299 HydrophobicContact CG-CB 4.17Å; P288-V299 PolarHBondContact O-N 3.49Å; P288-L302 HydrophobicContact CB-CD1 4.42Å; P288-L302 HydrophobicContact CG-CD1 3.64Å |
| 289 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 150.4 | 176.2 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | W266 V267 M269 F287 I291 W296 T297 I298 | W266-V289 WeakPolarHBondContact CA-O 3.39Å; V267-V289 HydrophobicContact CG2-CG2 3.82Å; V267-V289 PolarHBondContact N-O 2.81Å; V267-V289 PolarHBondContact O-N 3.1Å; M269-V289 HydrophobicContact CB-CG1 4.44Å; M269-V289 HydrophobicContact CB-CG2 3.87Å; M269-V289 HydrophobicContact CG-CG2 3.65Å; M269-V289 HydrophobicContact SD-CG2 3.54Å; M269-V289 VanDerWaalsContact SD-CG2 3.54Å; F287-V289 HydrophobicContact CB-CG1 4.31Å; F287-V289 PolarHBondContact O-N 2.99Å; V289-I291 HydrophobicContact CG2-CD1 4.41Å; V289-I291 HydrophobicContact CG2-CG1 4.22Å; V289-W296 HydrophobicContact CB-CB 4.24Å; V289-W296 HydrophobicContact CG1-CE3 4.43Å; V289-W296 HydrophobicContact CG2-CB 4.3Å; V289-T297 VanDerWaalsContact CA-O 3.26Å; V289-T297 WeakPolarHBondContact CA-O 3.36Å; V289-T297 WeakPolarHBondContact CB-O 3.35Å; V289-I298 HydrophobicContact CG1-CG1 4.4Å |
| 290 | Q | 98.4 | Very high | 98.1 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 148.6 | 161.2 | -77.9 | -178.8 | -30 | 0 | 0 | 109 | W266 W296 T297 V299 | W266-Q290 VanDerWaalsContact CD1-CG 3.49Å; Q290-W296 CarbonylContact O-C 3.51Å; Q290-W296 VanDerWaalsContact O-CA 3.29Å; Q290-W296 WeakPolarHBondContact O-CA 3.35Å; Q290-T297 PolarHBondContact N-O 3.49Å; Q290-T297 PolarHBondContact O-N 3.33Å; Q290-T297 PolarHBondContact O-OG1 3.47Å; Q290-V299 HydrophobicContact CG-CG2 4.05Å |
| 291 | I | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.8 | -176.6 | -47.4 | 178.2 | 0 | 0 | 0 | 109.7 | D256 W257 G260 T261 V267 M269 V289 K295 W296 | D256-I291 HydrophobicContact CB-CD1 4.22Å; D256-I291 WeakPolarHBondContact O-CG2 3.17Å; W257-I291 HydrophobicContact CB-CD1 4.24Å; G260-I291 CarbonylContact C-O 3.55Å; G260-I291 VanDerWaalsContact CA-O 3.26Å; G260-I291 WeakPolarHBondContact CA-O 3.08Å; T261-I291 HydrophobicContact CG2-CB 4.12Å; T261-I291 HydrophobicContact CG2-CD1 4.29Å; T261-I291 HydrophobicContact CG2-CG1 4.03Å; T261-I291 PolarHBondContact N-O 2.83Å; T261-I291 PolarHBondContact OG1-N 2.92Å; T261-I291 PolarHBondContact OG1-O 3.46Å; V267-I291 HydrophobicContact CG2-CD1 4.02Å; M269-I291 HydrophobicContact SD-CD1 3.45Å; M269-I291 WeakPolarHBondContact SD-CD1 3.22Å; M269-I291 HydrophobicContact SD-CG1 4.33Å; V289-I291 HydrophobicContact CG2-CD1 4.41Å; V289-I291 HydrophobicContact CG2-CG1 4.22Å; I291-K295 WeakPolarHBondContact CA-O 3.32Å; I291-K295 WeakPolarHBondContact CG2-O 3.46Å; I291-W296 HydrophobicContact CG1-CB 4.07Å |
| 292 | K | 98.1 | Very high | 98.1 | Very high | 148 Ų | 148 | 45.8 Ų | 45.8 | 64% | 0.643 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 131.3 | 176.4 | -171.8 | 171.6 | -175.8 | 169.8 | 0 | 109.5 | G294 K295 | K292-G294 VanDerWaalsContact C-N 3.3Å; K292-G294 PolarHBondContact O-N 2.83Å; K292-K295 PolarHBondContact N-O 3.3Å; K292-K295 PolarHBondContact O-N 2.87Å |
| 293 | N | 96 | Very high | 98.2 | Very high | 145 Ų | 145 | 50.8 Ų | 50.8 | 78% | 0.775 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 45.4 | 178.2 | -55.6 | -26.8 | 0 | 0 | 0 | 113.3 | K295 | N293-K295 PolarHBondContact O-N 2.96Š|
| 294 | G | 95.9 | Very high | 98.2 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | K125 W257 K292 | K125-G294 WeakPolarHBondContact CE-O 3.4Å; K125-G294 PolarHBondContact NZ-O 3.32Å; W257-G294 PolarHBondContact NE1-O 3.36Å; W257-G294 VanDerWaalsContact O-CA 3.29Å; W257-G294 WeakPolarHBondContact O-CA 3.41Å; K292-G294 VanDerWaalsContact C-N 3.3Å; K292-G294 PolarHBondContact O-N 2.83Å |
| 295 | K | 98.2 | Very high | 98 | Very high | 159 Ų | 159 | 56 Ų | 56 | 69% | 0.691 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.4 | -177.2 | -63.9 | -174.3 | 177.7 | -172.5 | 0 | 110.4 | I291 K292 N293 | I291-K295 WeakPolarHBondContact CA-O 3.32Å; I291-K295 WeakPolarHBondContact CG2-O 3.46Å; K292-K295 PolarHBondContact N-O 3.3Å; K292-K295 PolarHBondContact O-N 2.87Å; N293-K295 PolarHBondContact O-N 2.96Å |
| 296 | W | 98.5 | Very high | 98 | Very high | 39 Ų | 39 | 62.6 Ų | 62.6 | 15% | 0.148 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 150.9 | 172.9 | 58 | -103.4 | 0 | 0 | 0 | 110.4 | E150 W257 M269 V271 I272 V289 Q290 I291 I298 | E150-W296 HydrophobicContact CB-CZ2 3.7Å; E150-W296 PolarHBondContact O-NE1 3.27Å; W257-W296 AromaticContact CE2-CD1 3.98Å; W257-W296 AromaticContact NE1-CD1 3.65Å; M269-W296 HydrophobicContact SD-CB 4.39Å; V271-W296 HydrophobicContact CB-CD2 4.39Å; V271-W296 HydrophobicContact CB-CE3 4.49Å; V271-W296 HydrophobicContact CB-CH2 3.78Å; V271-W296 HydrophobicContact CB-CZ2 3.61Å; V271-W296 HydrophobicContact CB-CZ3 4.23Å; V271-W296 HydrophobicContact CG1-CD2 3.94Å; V271-W296 HydrophobicContact CG1-CE3 4.4Å; V271-W296 HydrophobicContact CG1-CG 4.35Å; V271-W296 HydrophobicContact CG1-CH2 4.37Å; V271-W296 HydrophobicContact CG1-CZ2 3.88Å; V271-W296 HydrophobicContact CG2-CE3 4.17Å; V271-W296 HydrophobicContact CG2-CH2 3.78Å; V271-W296 HydrophobicContact CG2-CZ2 4.12Å; V271-W296 HydrophobicContact CG2-CZ3 3.81Å; I272-W296 HydrophobicContact CG2-CH2 4.31Å; I272-W296 HydrophobicContact CG2-CZ2 4.36Å; V289-W296 HydrophobicContact CB-CB 4.24Å; V289-W296 HydrophobicContact CG1-CE3 4.43Å; V289-W296 HydrophobicContact CG2-CB 4.3Å; Q290-W296 CarbonylContact O-C 3.51Å; Q290-W296 VanDerWaalsContact O-CA 3.29Å; Q290-W296 WeakPolarHBondContact O-CA 3.35Å; I291-W296 HydrophobicContact CG1-CB 4.07Å; W296-I298 HydrophobicContact CE3-CG1 4.49Å; W296-I298 HydrophobicContact CZ3-CD1 4.43Å; W296-I298 HydrophobicContact CZ3-CG1 4.07Å |
| 297 | T | 98.5 | Very high | 97.8 | Very high | 85 Ų | 85 | 65.7 Ų | 65.7 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 132.3 | 170 | 49.1 | 0 | 0 | 0 | 0 | 108.7 | V289 Q290 V299 | V289-T297 VanDerWaalsContact CA-O 3.26Å; V289-T297 WeakPolarHBondContact CA-O 3.36Å; V289-T297 WeakPolarHBondContact CB-O 3.35Å; Q290-T297 PolarHBondContact N-O 3.49Å; Q290-T297 PolarHBondContact O-N 3.33Å; Q290-T297 PolarHBondContact O-OG1 3.47Å; T297-V299 PolarHBondContact O-N 3.29Å |
| 298 | I | 98.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 65.9 Ų | 65.9 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 128.8 | 172.9 | -65.1 | 170.3 | 0 | 0 | 0 | 108.6 | V271 Y277 F287 V289 W296 Q300 | V271-I298 HydrophobicContact CG2-CD1 4.5Å; V271-I298 HydrophobicContact CG2-CG1 4.45Å; Y277-I298 HydrophobicContact CE2-CG2 4.1Å; F287-I298 HydrophobicContact CB-CD1 4.42Å; F287-I298 HydrophobicContact CB-CG1 3.99Å; F287-I298 HydrophobicContact CB-CG2 4.14Å; F287-I298 HydrophobicContact CD1-CD1 4.19Å; F287-I298 HydrophobicContact CD1-CG2 3.99Å; F287-I298 HydrophobicContact CD2-CD1 3.76Å; F287-I298 HydrophobicContact CD2-CG1 4.2Å; F287-I298 HydrophobicContact CE1-CD1 4.42Å; F287-I298 HydrophobicContact CE2-CD1 3.97Å; F287-I298 HydrophobicContact CG-CD1 3.88Å; F287-I298 HydrophobicContact CG-CG1 4Å; F287-I298 HydrophobicContact CG-CG2 4.19Å; F287-I298 HydrophobicContact CZ-CD1 4.31Å; V289-I298 HydrophobicContact CG1-CG1 4.4Å; W296-I298 HydrophobicContact CE3-CG1 4.49Å; W296-I298 HydrophobicContact CZ3-CD1 4.43Å; W296-I298 HydrophobicContact CZ3-CG1 4.07Å; I298-Q300 PolarHBondContact O-N 3.09Å |
| 299 | V | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 70.6 Ų | 70.6 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 122.9 | 173.7 | 178.5 | 0 | 0 | 0 | 0 | 108 | W266 Y277 P288 Q290 T297 L302 | W266-V299 HydrophobicContact CB-CG2 4.47Å; W266-V299 HydrophobicContact CD2-CG1 4.25Å; W266-V299 HydrophobicContact CD2-CG2 4.03Å; W266-V299 HydrophobicContact CG-CG2 3.84Å; W266-V299 HydrophobicContact CH2-CG1 4.29Å; W266-V299 HydrophobicContact CZ2-CG1 3.91Å; Y277-V299 WeakPolarHBondContact CE2-O 3.24Å; Y277-V299 PolarHBondContact OH-O 3.04Å; P288-V299 HydrophobicContact CB-CB 4.19Å; P288-V299 HydrophobicContact CB-CG2 4.23Å; P288-V299 HydrophobicContact CG-CB 4.17Å; P288-V299 PolarHBondContact O-N 3.49Å; Q290-V299 HydrophobicContact CG-CG2 4.05Å; T297-V299 PolarHBondContact O-N 3.29Å; V299-L302 HydrophobicContact CG1-CD1 4.17Å; V299-L302 HydrophobicContact CG1-CD2 4.08Å; V299-L302 HydrophobicContact CG1-CG 4.12Å |
| 300 | Q | 98.2 | Very high | 97.7 | Very high | 111 Ų | 111 | 73.3 Ų | 73.3 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -100.6 | 163 | -177 | -63.8 | -62.5 | -26 | 0 | 0 | 111.9 | S276 Y277 I298 L302 | S276-Q300 PolarHBondContact OG-NE2 3.5Å; Y277-Q300 WeakPolarHBondContact OH-CA 3.36Å; I298-Q300 PolarHBondContact O-N 3.09Å; Q300-L302 PolarHBondContact O-N 2.83Å |
| 301 | G | 97.6 | Very high | 97.7 | Very high | 71 Ų | 71 | 73.9 Ų | 73.9 | 73% | 0.732 | 38% | 0.377 | S | S | * | . | trans | 78.5 | 11.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y277 | Y277-G301 PolarHBondContact OH-N 3.45Š| ||
| 302 | L | 98 | Very high | 97.7 | Very high | 23 Ų | 23 | 74.2 Ų | 74.2 | 12% | 0.12 | 38% | 0.378 | C | S | . | . | trans | -72.1 | 139.4 | 174.9 | -57.8 | -179.1 | 0 | 0 | 0 | 111 | I182 W184 W266 Y277 P288 V299 Q300 | I182-L302 HydrophobicContact CD1-CD1 3.73Å; W184-L302 HydrophobicContact CH2-CD1 4.06Å; W184-L302 HydrophobicContact CZ2-CD1 3.92Å; W266-L302 HydrophobicContact CH2-CD2 3.51Å; W266-L302 HydrophobicContact CZ2-CD2 4.37Å; W266-L302 HydrophobicContact CZ3-CD1 4.15Å; W266-L302 HydrophobicContact CZ3-CD2 3.79Å; Y277-L302 HydrophobicContact CE1-CB 3.93Å; Y277-L302 WeakPolarHBondContact CE1-O 3.49Å; Y277-L302 WeakPolarHBondContact OH-CB 3.4Å; Y277-L302 WeakPolarHBondContact OH-CG 3.2Å; Y277-L302 PolarHBondContact OH-N 3.23Å; Y277-L302 VanDerWaalsContact OH-N 3.12Å; P288-L302 HydrophobicContact CB-CD1 4.42Å; P288-L302 HydrophobicContact CG-CD1 3.64Å; V299-L302 HydrophobicContact CG1-CD1 4.17Å; V299-L302 HydrophobicContact CG1-CD2 4.08Å; V299-L302 HydrophobicContact CG1-CG 4.12Å; Q300-L302 PolarHBondContact O-N 2.83Å | ||
| 303 | K | 97.1 | Very high | 97.7 | Very high | 178 Ų | 178 | 69.8 Ų | 69.8 | 77% | 0.774 | 37% | 0.369 | S | S | * | . | trans | -88.3 | 130 | 175.7 | -66.5 | 179.8 | -179.3 | 177.3 | 0 | 109.8 | H197 | H197-K303 PolarHBondContact NE2-O 3Š| ||
| 304 | L | 97.4 | Very high | 97.8 | Very high | 29 Ų | 29 | 67.2 Ų | 67.2 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | trans | -113.2 | 121.2 | 170.6 | -58.4 | 178.3 | 0 | 0 | 0 | 108.5 | W184 Y277 A308 K309 F312 | W184-L304 HydrophobicContact CZ2-CD2 4.28Å; Y277-L304 HydrophobicContact CD1-CD1 4.37Å; L304-A308 HydrophobicContact CB-CB 4.11Å; L304-A308 HydrophobicContact CD2-CB 4.23Å; L304-K309 HydrophobicContact CB-CG 4.02Å; L304-K309 WeakPolarHBondContact O-CE 3.49Å; L304-F312 HydrophobicContact CD1-CD2 4.22Å | ||
| 305 | D | 96.2 | Very high | 97.9 | Very high | 84 Ų | 84 | 66.6 Ų | 66.6 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | trans | -72.4 | 172.8 | 172.2 | 75.3 | 6.7 | 0 | 0 | 0 | 111.3 | W307 A308 K309 | D305-W307 PolarHBondContact O-N 3.04Å; D305-W307 PolarHBondContact OD1-N 3.1Å; D305-A308 PolarHBondContact O-N 3.21Å; D305-A308 VanDerWaalsContact OD1-CB 3.29Å; D305-A308 WeakPolarHBondContact OD1-CB 3.32Å; D305-A308 PolarHBondContact OD1-N 3.49Å; D305-K309 WeakPolarHBondContact O-CG 3.48Å; D305-K309 PolarHBondContact O-N 3.48Å | ||
| 306 | E | 97.3 | Very high | 98 | Very high | 137 Ų | 137 | 59.3 Ų | 59.3 | 64% | 0.64 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61 | -33.1 | -177 | -66.4 | -55.7 | 124.6 | 0 | 0 | 113 | K309 S310 | E306-K309 IonicContact OE1-NZ 3.74Å; E306-K309 PolarHBondContact OE1-NZ 3.26Å; E306-S310 PolarHBondContact O-N 3.44Å |
| 307 | W | 96.6 | Very high | 97.9 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 175.5 | 175 | 86.1 | 0 | 0 | 0 | 111 | F192 K220 L224 D305 K309 S310 K311 | F192-W307 HydrophobicContact CE2-CE3 4.38Å; F192-W307 AromaticContact CE2-CH2 3.74Å; F192-W307 HydrophobicContact CE2-CH2 3.74Å; F192-W307 AromaticContact CE2-CZ3 3.5Å; F192-W307 HydrophobicContact CE2-CZ3 3.5Å; F192-W307 VanDerWaalsContact CE2-CZ3 3.5Å; F192-W307 HydrophobicContact CZ-CE3 4.47Å; F192-W307 AromaticContact CZ-CZ3 3.89Å; F192-W307 HydrophobicContact CZ-CZ3 3.89Å; K220-W307 HydrophobicContact CB-CH2 4.13Å; K220-W307 HydrophobicContact CB-CZ2 3.61Å; K220-W307 HydrophobicContact CD-CD2 3.96Å; K220-W307 HydrophobicContact CD-CE3 4.29Å; K220-W307 HydrophobicContact CD-CG 4.29Å; K220-W307 HydrophobicContact CD-CZ2 4.34Å; K220-W307 HydrophobicContact CG-CD2 4.14Å; K220-W307 HydrophobicContact CG-CE3 4.25Å; K220-W307 HydrophobicContact CG-CH2 3.81Å; K220-W307 HydrophobicContact CG-CZ2 3.66Å; K220-W307 HydrophobicContact CG-CZ3 4.09Å; L224-W307 HydrophobicContact CD2-CH2 4.17Å; L224-W307 HydrophobicContact CD2-CZ2 3.97Å; D305-W307 PolarHBondContact O-N 3.04Å; D305-W307 PolarHBondContact OD1-N 3.1Å; W307-K309 PolarHBondContact O-N 3.48Å; W307-S310 WeakPolarHBondContact O-CB 3.47Å; W307-S310 PolarHBondContact O-N 3.3Å; W307-S310 VanDerWaalsContact O-N 3.13Å; W307-S310 PolarHBondContact O-OG 2.9Å; W307-K311 HydrophobicContact CD2-CG 4.37Å; W307-K311 HydrophobicContact CH2-CG 4.4Å; W307-K311 HydrophobicContact CZ2-CG 4.02Å; W307-K311 PolarHBondContact O-N 3.29Å; W307-K311 VanDerWaalsContact O-N 3.09Å |
| 308 | A | 97.4 | Very high | 97.9 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F192 L304 D305 S310 K311 F312 | F192-A308 HydrophobicContact CE1-CB 3.7Å; F192-A308 HydrophobicContact CZ-CB 3.6Å; L304-A308 HydrophobicContact CB-CB 4.11Å; L304-A308 HydrophobicContact CD2-CB 4.23Å; D305-A308 PolarHBondContact O-N 3.21Å; D305-A308 VanDerWaalsContact OD1-CB 3.29Å; D305-A308 WeakPolarHBondContact OD1-CB 3.32Å; D305-A308 PolarHBondContact OD1-N 3.49Å; A308-S310 VanDerWaalsContact C-N 3.29Å; A308-S310 PolarHBondContact O-N 2.92Å; A308-K311 PolarHBondContact O-N 3.36Å; A308-K311 VanDerWaalsContact O-N 3.15Å; A308-F312 WeakPolarHBondContact O-CB 3.3Å; A308-F312 PolarHBondContact O-N 3.28Å |
| 309 | K | 98.1 | Very high | 97.9 | Very high | 100 Ų | 100 | 58 Ų | 58 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57 | -41.5 | 173.4 | -71.2 | 177.2 | -171.5 | 169.4 | 0 | 111.9 | L304 D305 E306 W307 K311 F312 A313 | L304-K309 HydrophobicContact CB-CG 4.02Å; L304-K309 WeakPolarHBondContact O-CE 3.49Å; D305-K309 WeakPolarHBondContact O-CG 3.48Å; D305-K309 PolarHBondContact O-N 3.48Å; E306-K309 IonicContact OE1-NZ 3.74Å; E306-K309 PolarHBondContact OE1-NZ 3.26Å; W307-K309 PolarHBondContact O-N 3.48Å; K309-K311 PolarHBondContact O-N 3.37Å; K309-F312 PolarHBondContact O-N 3.24Å; K309-A313 WeakPolarHBondContact O-CB 3.16Å; K309-A313 PolarHBondContact O-N 3.42Å |
| 310 | S | 97.8 | Very high | 97.8 | Very high | 57 Ų | 57 | 60.3 Ų | 60.3 | 40% | 0.399 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 177.3 | 81.8 | 0 | 0 | 0 | 0 | 112.7 | E306 W307 A308 I314 | E306-S310 PolarHBondContact O-N 3.44Å; W307-S310 WeakPolarHBondContact O-CB 3.47Å; W307-S310 PolarHBondContact O-N 3.3Å; W307-S310 VanDerWaalsContact O-N 3.13Å; W307-S310 PolarHBondContact O-OG 2.9Å; A308-S310 VanDerWaalsContact C-N 3.29Å; A308-S310 PolarHBondContact O-N 2.92Å; S310-I314 WeakPolarHBondContact O-CG1 3.47Å; S310-I314 PolarHBondContact O-N 2.96Å |
| 311 | K | 98.2 | Very high | 97.7 | Very high | 68 Ų | 68 | 60 Ų | 60 | 30% | 0.296 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.9 | -41.3 | 177.2 | -62.4 | -51.8 | -176.8 | -173.7 | 0 | 112 | F192 W307 A308 K309 A313 I314 T315 | F192-K311 HydrophobicContact CB-CB 3.97Å; F192-K311 HydrophobicContact CD1-CB 4.16Å; F192-K311 HydrophobicContact CD2-CB 3.63Å; F192-K311 HydrophobicContact CD2-CG 4.16Å; F192-K311 HydrophobicContact CE2-CB 4.18Å; F192-K311 HydrophobicContact CE2-CG 4.44Å; F192-K311 HydrophobicContact CG-CB 3.64Å; W307-K311 HydrophobicContact CD2-CG 4.37Å; W307-K311 HydrophobicContact CH2-CG 4.4Å; W307-K311 HydrophobicContact CZ2-CG 4.02Å; W307-K311 PolarHBondContact O-N 3.29Å; W307-K311 VanDerWaalsContact O-N 3.09Å; A308-K311 PolarHBondContact O-N 3.36Å; A308-K311 VanDerWaalsContact O-N 3.15Å; K309-K311 PolarHBondContact O-N 3.37Å; K311-A313 VanDerWaalsContact C-N 3.34Å; K311-A313 PolarHBondContact O-N 3.33Å; K311-I314 HydrophobicContact CD-CD1 4.39Å; K311-I314 PolarHBondContact O-N 3.34Å; K311-T315 PolarHBondContact O-N 3.45Å |
| 312 | F | 98.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 5% | 0.048 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.3 | -46.6 | 173.7 | -173.5 | -78.2 | 0 | 0 | 0 | 111.4 | W184 F192 Y277 A279 F285 L304 A308 K309 I314 T315 A316 | W184-F312 HydrophobicContact CB-CD2 4.08Å; W184-F312 HydrophobicContact CB-CE2 4.45Å; W184-F312 HydrophobicContact CD2-CD2 4.21Å; W184-F312 HydrophobicContact CD2-CE2 4.18Å; W184-F312 HydrophobicContact CE3-CD2 4.14Å; W184-F312 AromaticContact CE3-CE2 3.64Å; W184-F312 HydrophobicContact CE3-CE2 3.64Å; W184-F312 HydrophobicContact CG-CD2 4.23Å; W184-F312 HydrophobicContact CZ3-CE2 4.13Å; F192-F312 HydrophobicContact CD1-CB 4.42Å; Y277-F312 VanDerWaalsContact O-CE1 3.28Å; Y277-F312 WeakPolarHBondContact O-CE1 3.37Å; Y277-F312 VanDerWaalsContact O-CZ 3.31Å; Y277-F312 WeakPolarHBondContact O-CZ 3.28Å; A279-F312 HydrophobicContact CB-CE1 4.29Å; A279-F312 HydrophobicContact CB-CZ 3.88Å; F285-F312 HydrophobicContact CE1-CD2 4.44Å; F285-F312 AromaticContact CE1-CE2 3.67Å; F285-F312 HydrophobicContact CE1-CE2 3.67Å; F285-F312 AromaticContact CE1-CZ 3.82Å; F285-F312 HydrophobicContact CE1-CZ 3.82Å; F285-F312 HydrophobicContact CE2-CZ 4.4Å; F285-F312 HydrophobicContact CZ-CD1 4.46Å; F285-F312 HydrophobicContact CZ-CD2 4.08Å; F285-F312 AromaticContact CZ-CE1 3.99Å; F285-F312 HydrophobicContact CZ-CE1 3.99Å; F285-F312 AromaticContact CZ-CE2 3.58Å; F285-F312 HydrophobicContact CZ-CE2 3.58Å; F285-F312 AromaticContact CZ-CZ 3.54Å; F285-F312 HydrophobicContact CZ-CZ 3.54Å; L304-F312 HydrophobicContact CD1-CD2 4.22Å; A308-F312 WeakPolarHBondContact O-CB 3.3Å; A308-F312 PolarHBondContact O-N 3.28Å; K309-F312 PolarHBondContact O-N 3.24Å; F312-I314 VanDerWaalsContact C-N 3.33Å; F312-I314 PolarHBondContact O-N 3.1Å; F312-T315 VanDerWaalsContact O-CG2 3.23Å; F312-T315 WeakPolarHBondContact O-CG2 3.4Å; F312-T315 PolarHBondContact O-N 2.95Å; F312-A316 HydrophobicContact CD1-CB 4.37Å; F312-A316 HydrophobicContact CE1-CB 4.35Å; F312-A316 VanDerWaalsContact O-CB 3.31Å; F312-A316 WeakPolarHBondContact O-CB 3.29Å; F312-A316 PolarHBondContact O-N 3.17Å |
| 313 | A | 98.5 | Very high | 97.4 | Very high | 55 Ų | 55 | 58 Ų | 58 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K309 K311 T315 A316 E317 | K309-A313 WeakPolarHBondContact O-CB 3.16Å; K309-A313 PolarHBondContact O-N 3.42Å; K311-A313 VanDerWaalsContact C-N 3.34Å; K311-A313 PolarHBondContact O-N 3.33Å; A313-T315 PolarHBondContact O-N 3.32Å; A313-A316 PolarHBondContact O-N 2.91Å; A313-E317 WeakPolarHBondContact O-CB 3.21Å; A313-E317 PolarHBondContact O-N 3.18Å |
| 314 | I | 98.5 | Very high | 97.3 | Very high | 91 Ų | 91 | 53.7 Ų | 53.7 | 47% | 0.467 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 178.6 | -66.6 | 164.6 | 0 | 0 | 0 | 110.8 | T190 S310 K311 F312 A316 E317 E318 | T190-I314 HydrophobicContact CG2-CG2 4.12Å; S310-I314 WeakPolarHBondContact O-CG1 3.47Å; S310-I314 PolarHBondContact O-N 2.96Å; K311-I314 HydrophobicContact CD-CD1 4.39Å; K311-I314 PolarHBondContact O-N 3.34Å; F312-I314 VanDerWaalsContact C-N 3.33Å; F312-I314 PolarHBondContact O-N 3.1Å; I314-A316 VanDerWaalsContact C-N 3.35Å; I314-E317 PolarHBondContact O-N 2.89Å; I314-E318 PolarHBondContact O-N 3.13Å; I314-E318 VanDerWaalsContact O-N 3.09Å |
| 315 | T | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.9 | -26.7 | -178.2 | -170 | 0 | 0 | 0 | 0 | 113.3 | G185 N186 T190 F285 K311 F312 A313 L319 | G185-T315 WeakPolarHBondContact CA-OG1 3.2Å; N186-T315 PolarHBondContact N-OG1 3.43Å; T190-T315 WeakPolarHBondContact O-CB 3.23Å; T190-T315 WeakPolarHBondContact OG1-CB 3.2Å; T190-T315 PolarHBondContact OG1-OG1 2.78Å; T190-T315 VanDerWaalsContact OG1-OG1 3.1Å; F285-T315 HydrophobicContact CE2-CG2 4.35Å; F285-T315 HydrophobicContact CZ-CG2 4.25Å; K311-T315 PolarHBondContact O-N 3.45Å; F312-T315 VanDerWaalsContact O-CG2 3.23Å; F312-T315 WeakPolarHBondContact O-CG2 3.4Å; F312-T315 PolarHBondContact O-N 2.95Å; A313-T315 PolarHBondContact O-N 3.32Å; T315-L319 PolarHBondContact O-N 3.42Å |
| 316 | A | 98.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P280 F285 F312 A313 I314 K320 | P280-A316 HydrophobicContact CG-CB 4.31Å; F285-A316 HydrophobicContact CE2-CB 3.99Å; F312-A316 HydrophobicContact CD1-CB 4.37Å; F312-A316 HydrophobicContact CE1-CB 4.35Å; F312-A316 VanDerWaalsContact O-CB 3.31Å; F312-A316 WeakPolarHBondContact O-CB 3.29Å; F312-A316 PolarHBondContact O-N 3.17Å; A313-A316 PolarHBondContact O-N 2.91Å; I314-A316 VanDerWaalsContact C-N 3.35Å; A316-K320 WeakPolarHBondContact O-CE 3.12Å; A316-K320 PolarHBondContact O-N 2.77Å |
| 317 | E | 98.3 | Very high | 96.7 | Very high | 83 Ų | 83 | 47.3 Ų | 47.3 | 39% | 0.388 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 174.4 | -164.3 | 59.5 | -134 | 0 | 0 | 111.4 | A313 I314 L319 K320 E321 | A313-E317 WeakPolarHBondContact O-CB 3.21Å; A313-E317 PolarHBondContact O-N 3.18Å; I314-E317 PolarHBondContact O-N 2.89Å; E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 3.2Å; E317-K320 WeakPolarHBondContact O-CB 3.35Å; E317-K320 PolarHBondContact O-N 2.67Å; E317-K320 IonicContact OE1-NZ 2.71Å; E317-K320 WeakPolarHBondContact OE2-CE 3.47Å; E317-K320 IonicContact OE2-NZ 2.68Å; E317-K320 PolarHBondContact OE2-NZ 3.41Å; E317-E321 WeakPolarHBondContact O-CG 3.47Å; E317-E321 PolarHBondContact O-N 3Å |
| 318 | E | 97.7 | Very high | 96.5 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 12% | 0.117 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.5 | -43.9 | 178.2 | -176 | -179.4 | -128.3 | 0 | 0 | 112.2 | R98 N186 S188 T190 I314 K320 E321 E322 | R98-E318 IonicContact CZ-OE1 3.1Å; R98-E318 IonicContact NH1-OE1 3.84Å; R98-E318 VanDerWaalsContact NH2-CD 3.35Å; R98-E318 IonicContact NH2-OE1 2.58Å; R98-E318 PolarHBondContact NH2-OE1 2.96Å; N186-E318 WeakPolarHBondContact CB-OE2 3.43Å; N186-E318 PolarHBondContact ND2-OE2 3.11Å; S188-E318 VanDerWaalsContact CB-OE2 3.28Å; S188-E318 WeakPolarHBondContact CB-OE2 3.15Å; S188-E318 PolarHBondContact OG-OE2 3.37Å; T190-E318 HydrophobicContact CG2-CB 4.42Å; T190-E318 PolarHBondContact OG1-OE2 3Å; I314-E318 PolarHBondContact O-N 3.13Å; I314-E318 VanDerWaalsContact O-N 3.09Å; E318-K320 VanDerWaalsContact C-N 3.35Å; E318-K320 PolarHBondContact O-N 2.82Å; E318-E321 PolarHBondContact O-N 3.37Å; E318-E322 HydrophobicContact CG-CG 4.43Å; E318-E322 WeakPolarHBondContact O-CB 3.35Å; E318-E322 WeakPolarHBondContact O-CG 3.45Å; E318-E322 PolarHBondContact O-N 3.27Å |
| 319 | L | 97.7 | Very high | 96 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.7 | -31.7 | 178.8 | -78.7 | 169.3 | 0 | 0 | 0 | 113.3 | N134 N186 F285 T315 E317 R323 | N134-L319 HydrophobicContact CB-CD2 3.56Å; N186-L319 HydrophobicContact CB-CD1 4.05Å; N186-L319 HydrophobicContact CB-CD2 4.03Å; N186-L319 HydrophobicContact CB-CG 3.84Å; F285-L319 HydrophobicContact CB-CD1 4.21Å; F285-L319 HydrophobicContact CD2-CD1 3.48Å; F285-L319 VanDerWaalsContact CD2-CD1 3.48Å; F285-L319 HydrophobicContact CE2-CD1 4.22Å; F285-L319 HydrophobicContact CG-CD1 4.15Å; T315-L319 PolarHBondContact O-N 3.42Å; E317-L319 VanDerWaalsContact C-N 3.29Å; E317-L319 PolarHBondContact O-N 3.2Å; L319-R323 WeakPolarHBondContact O-CB 3.16Å; L319-R323 PolarHBondContact O-N 2.79Å |
| 320 | K | 97.4 | Very high | 95.9 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 171.3 | -81.2 | 178.4 | -86.3 | 160.2 | 0 | 110.5 | P280 A316 E317 E318 E322 R323 I324 | P280-K320 HydrophobicContact CB-CD 3.88Å; P280-K320 HydrophobicContact CB-CG 3.58Å; P280-K320 HydrophobicContact CG-CD 4.34Å; P280-K320 HydrophobicContact CG-CG 3.87Å; A316-K320 WeakPolarHBondContact O-CE 3.12Å; A316-K320 PolarHBondContact O-N 2.77Å; E317-K320 WeakPolarHBondContact O-CB 3.35Å; E317-K320 PolarHBondContact O-N 2.67Å; E317-K320 IonicContact OE1-NZ 2.71Å; E317-K320 WeakPolarHBondContact OE2-CE 3.47Å; E317-K320 IonicContact OE2-NZ 2.68Å; E317-K320 PolarHBondContact OE2-NZ 3.41Å; E318-K320 VanDerWaalsContact C-N 3.35Å; E318-K320 PolarHBondContact O-N 2.82Å; K320-E322 PolarHBondContact O-N 3.08Å; K320-R323 PolarHBondContact O-N 3.24Å; K320-I324 VanDerWaalsContact O-CG1 3.3Å; K320-I324 WeakPolarHBondContact O-CG1 3.42Å; K320-I324 PolarHBondContact O-N 2.96Å |
| 321 | E | 95.9 | Very high | 95.8 | Very high | 105 Ų | 105 | 49.5 Ų | 49.5 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 178.2 | -68.7 | 179.7 | 168.9 | 0 | 0 | 111.8 | E317 E318 R323 I324 A325 | E317-E321 WeakPolarHBondContact O-CG 3.47Å; E317-E321 PolarHBondContact O-N 3Å; E318-E321 PolarHBondContact O-N 3.37Å; E321-R323 PolarHBondContact O-N 3.42Å; E321-I324 PolarHBondContact O-N 2.87Å; E321-A325 VanDerWaalsContact O-CB 3.25Å; E321-A325 WeakPolarHBondContact O-CB 3.27Å; E321-A325 PolarHBondContact O-N 3.49Å |
| 322 | E | 95 | Very high | 95.7 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 177 | -76.3 | -165.4 | 172.3 | 0 | 0 | 112.2 | R98 T135 E318 K320 I324 A325 A326 | R98-E322 IonicContact CZ-OE1 3.96Å; R98-E322 IonicContact NE-OE1 3.13Å; R98-E322 IonicContact NH2-OE1 3.86Å; R98-E322 PolarHBondContact NH2-OE1 3.09Å; T135-E322 HydrophobicContact CG2-CB 4.41Å; T135-E322 WeakPolarHBondContact OG1-CB 3.34Å; T135-E322 PolarHBondContact OG1-OE2 3.24Å; E318-E322 HydrophobicContact CG-CG 4.43Å; E318-E322 WeakPolarHBondContact O-CB 3.35Å; E318-E322 WeakPolarHBondContact O-CG 3.45Å; E318-E322 PolarHBondContact O-N 3.27Å; K320-E322 PolarHBondContact O-N 3.08Å; E322-I324 PolarHBondContact O-N 2.54Å; E322-A325 PolarHBondContact O-N 3.03Å; E322-A326 WeakPolarHBondContact O-CB 3.48Å; E322-A326 PolarHBondContact O-N 3.13Å |
| 323 | R | 95.4 | Very high | 95.5 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 15% | 0.151 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59 | -47.9 | 175.6 | -178.9 | -179.7 | 72.4 | -176.3 | 4.8 | 111.5 | L138 K281 D282 V283 L319 K320 E321 A326 G327 L328 E329 | L138-R323 HydrophobicContact CD2-CB 4.22Å; L138-R323 HydrophobicContact CD2-CG 3.74Å; K281-R323 PolarHBondContact O-NH1 3.29Å; D282-R323 WeakPolarHBondContact O-CD 3.3Å; D282-R323 PolarHBondContact O-NH1 3.34Å; D282-R323 VanDerWaalsContact O-NH1 3.09Å; V283-R323 HydrophobicContact CG1-CB 4.35Å; L319-R323 WeakPolarHBondContact O-CB 3.16Å; L319-R323 PolarHBondContact O-N 2.79Å; K320-R323 PolarHBondContact O-N 3.24Å; E321-R323 PolarHBondContact O-N 3.42Å; R323-A326 PolarHBondContact O-N 2.88Å; R323-G327 PolarHBondContact O-N 3.49Å; R323-L328 WeakPolarHBondContact CD-O 3.33Å; R323-L328 HydrophobicContact CG-CB 3.97Å; R323-L328 VanDerWaalsContact CG-O 3.22Å; R323-L328 WeakPolarHBondContact CG-O 3.24Å; R323-L328 PolarHBondContact O-N 2.93Å; R323-E329 HydrophobicContact CG-CG 4.5Å |
| 324 | I | 94.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 50.4 Ų | 50.4 | 45% | 0.451 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 178.8 | -65 | 163.5 | 0 | 0 | 0 | 109.8 | K320 E321 E322 A326 G327 E329 | K320-I324 VanDerWaalsContact O-CG1 3.3Å; K320-I324 WeakPolarHBondContact O-CG1 3.42Å; K320-I324 PolarHBondContact O-N 2.96Å; E321-I324 PolarHBondContact O-N 2.87Å; E322-I324 PolarHBondContact O-N 2.54Å; I324-A326 PolarHBondContact O-N 3.1Å; I324-G327 PolarHBondContact O-N 2.54Å; I324-E329 HydrophobicContact CG1-CG 4.07Å |
| 325 | A | 92.7 | Very high | 95.1 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 35% | 0.347 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -31.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | L102 E321 E322 G327 | L102-A325 HydrophobicContact CD1-CB 3.82Å; E321-A325 VanDerWaalsContact O-CB 3.25Å; E321-A325 WeakPolarHBondContact O-CB 3.27Å; E321-A325 PolarHBondContact O-N 3.49Å; E322-A325 PolarHBondContact O-N 3.03Å; A325-G327 VanDerWaalsContact C-N 3.31Å |
| 326 | A | 92.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -6.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | V106 T135 E322 R323 I324 L328 | V106-A326 HydrophobicContact CG2-CB 3.75Å; T135-A326 HydrophobicContact CG2-CB 3.77Å; E322-A326 WeakPolarHBondContact O-CB 3.48Å; E322-A326 PolarHBondContact O-N 3.13Å; R323-A326 PolarHBondContact O-N 2.88Å; I324-A326 PolarHBondContact O-N 3.1Å; A326-L328 VanDerWaalsContact C-N 3.31Å; A326-L328 HydrophobicContact CB-CB 4.42Å; A326-L328 HydrophobicContact CB-CD1 3.65Å; A326-L328 HydrophobicContact CB-CG 3.77Å |
| 327 | G | 92.9 | Very high | 94.6 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 66% | 0.66 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 33.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | R323 I324 A325 | R323-G327 PolarHBondContact O-N 3.49Å; I324-G327 PolarHBondContact O-N 2.54Å; A325-G327 VanDerWaalsContact C-N 3.31Å |
| 328 | L | 91.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | trans | -109.1 | 28.6 | -175.4 | -63.9 | 173.7 | 0 | 0 | 0 | 112.4 | T135 L138 A139 K142 R323 A326 | T135-L328 HydrophobicContact CG2-CD1 3.93Å; L138-L328 HydrophobicContact CB-CD1 4.28Å; L138-L328 HydrophobicContact CD2-CB 4.02Å; L138-L328 HydrophobicContact CD2-CD1 4.15Å; L138-L328 HydrophobicContact CG-CB 4.36Å; L138-L328 HydrophobicContact CG-CD1 4.12Å; A139-L328 HydrophobicContact CB-CD1 3.86Å; A139-L328 HydrophobicContact CB-CD2 4.12Å; K142-L328 HydrophobicContact CD-CB 4.45Å; K142-L328 HydrophobicContact CD-CD2 4.32Å; K142-L328 WeakPolarHBondContact CE-O 3.5Å; K142-L328 VanDerWaalsContact NZ-C 3.29Å; K142-L328 PolarHBondContact NZ-O 2.81Å; R323-L328 WeakPolarHBondContact CD-O 3.33Å; R323-L328 HydrophobicContact CG-CB 3.97Å; R323-L328 VanDerWaalsContact CG-O 3.22Å; R323-L328 WeakPolarHBondContact CG-O 3.24Å; R323-L328 PolarHBondContact O-N 2.93Å; A326-L328 VanDerWaalsContact C-N 3.31Å; A326-L328 HydrophobicContact CB-CB 4.42Å; A326-L328 HydrophobicContact CB-CD1 3.65Å; A326-L328 HydrophobicContact CB-CG 3.77Å | ||
| 329 | E | 87.6 | Confident | 94 | Very high | 162 Ų | 162 | 54.7 Ų | 54.7 | 76% | 0.757 | 30% | 0.304 | S | S | * | . | trans | -69.7 | 0 | 172.5 | -63.6 | -174.7 | 97.7 | 0 | 0 | 112.2 | K142 R323 I324 | K142-E329 PolarHBondContact NZ-O 2.73Å; K142-E329 PolarHBondContact NZ-OXT 3.4Å; R323-E329 HydrophobicContact CG-CG 4.5Å; I324-E329 HydrophobicContact CG1-CG 4.07Å |
Retrieved 329 of 329 residues in 1210.2 ms
(Link to these results)