| 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 | 49.1 | Very low | 81 | Confident | 177 Ų | 177 | 91.2 Ų | 91.2 | 87% | 0.872 | 45% | 0.453 | S | S | * | . | 0 | 123.7 | 0 | -171.3 | -179 | -112.2 | 0 | 0 | 106.9 | A3 E50 | M1-A3 PolarHBondContact O-N 3.28Å; M1-E50 WeakPolarHBondContact CE-OE1 3.31Å | |||
| 2 | F | 57.3 | Low | 81.9 | Confident | 114 Ų | 114 | 89.8 Ų | 89.8 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | trans | -68.6 | 117.2 | -174.8 | -84.1 | -81.6 | 0 | 0 | 0 | 111 | Q6 R53 | F2-Q6 HydrophobicContact CD1-CB 3.69Å; F2-Q6 HydrophobicContact CD1-CG 4.4Å; F2-Q6 HydrophobicContact CE1-CB 4.37Å; F2-R53 PolarHBondContact O-NH1 3.12Å | ||
| 3 | A | 70.4 | Confident | 83 | Confident | 48 Ų | 48 | 85.1 Ų | 85.1 | 40% | 0.397 | 43% | 0.434 | S | S | . | . | trans | -68.7 | 153.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | M1 F5 Q6 L7 | M1-A3 PolarHBondContact O-N 3.28Å; A3-F5 PolarHBondContact O-N 3.2Å; A3-F5 VanDerWaalsContact O-N 3.14Å; A3-Q6 WeakPolarHBondContact O-CB 3.37Å; A3-Q6 PolarHBondContact O-N 3.41Å; A3-L7 PolarHBondContact O-N 3.11Å | ||
| 4 | I | 80.2 | Confident | 84 | Confident | 60 Ų | 60 | 82.2 Ų | 82.2 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -52.6 | -37.2 | 178.5 | -168.1 | 170.8 | 0 | 0 | 0 | 111.9 | Q6 L7 E8 N57 | I4-Q6 VanDerWaalsContact C-N 3.31Å; I4-Q6 PolarHBondContact O-N 3.37Å; I4-L7 WeakPolarHBondContact O-CB 3.43Å; I4-L7 PolarHBondContact O-N 2.96Å; I4-E8 PolarHBondContact O-N 3.23Å; I4-N57 WeakPolarHBondContact CD1-OD1 3.42Å; I4-N57 HydrophobicContact CG1-CB 4.43Å |
| 5 | F | 83.4 | Confident | 84.9 | Confident | 146 Ų | 146 | 80.8 Ų | 80.8 | 64% | 0.64 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.6 | -41.4 | 175.6 | -66.6 | -67.4 | 0 | 0 | 0 | 113.2 | A3 L7 E8 E9 | A3-F5 PolarHBondContact O-N 3.2Å; A3-F5 VanDerWaalsContact O-N 3.14Å; F5-L7 VanDerWaalsContact C-N 3.28Å; F5-L7 PolarHBondContact O-N 3.1Å; F5-E8 PolarHBondContact O-N 3.24Å; F5-E9 PolarHBondContact O-N 3.44Å; F5-E9 VanDerWaalsContact O-N 3.07Å |
| 6 | Q | 89.4 | Confident | 85.8 | Confident | 80 Ų | 80 | 77.3 Ų | 77.3 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.3 | -27.9 | 179.3 | -64.3 | 176.1 | -49.4 | 0 | 0 | 112.2 | F2 A3 I4 | F2-Q6 HydrophobicContact CD1-CB 3.69Å; F2-Q6 HydrophobicContact CD1-CG 4.4Å; F2-Q6 HydrophobicContact CE1-CB 4.37Å; A3-Q6 WeakPolarHBondContact O-CB 3.37Å; A3-Q6 PolarHBondContact O-N 3.41Å; I4-Q6 VanDerWaalsContact C-N 3.31Å; I4-Q6 PolarHBondContact O-N 3.37Å |
| 7 | L | 91.6 | Very high | 86.5 | Confident | 6 Ų | 6 | 77.5 Ų | 77.5 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.6 | -33.5 | 173.2 | -67.8 | 175 | 0 | 0 | 0 | 111.5 | A3 I4 F5 E9 I10 S11 V54 N57 L58 I61 | A3-L7 PolarHBondContact O-N 3.11Å; I4-L7 WeakPolarHBondContact O-CB 3.43Å; I4-L7 PolarHBondContact O-N 2.96Å; F5-L7 VanDerWaalsContact C-N 3.28Å; F5-L7 PolarHBondContact O-N 3.1Å; L7-E9 VanDerWaalsContact C-N 3.34Å; L7-I10 HydrophobicContact CD2-CD1 4.11Å; L7-I10 WeakPolarHBondContact O-CG1 3.24Å; L7-S11 WeakPolarHBondContact O-CB 3.32Å; L7-S11 PolarHBondContact O-N 3.32Å; L7-S11 PolarHBondContact O-OG 3.21Å; L7-V54 HydrophobicContact CD1-CG1 4.31Å; L7-V54 HydrophobicContact CD2-CG1 4.15Å; L7-N57 HydrophobicContact CD1-CB 3.45Å; L7-N57 VanDerWaalsContact CD1-CB 3.45Å; L7-L58 HydrophobicContact CB-CD2 4.34Å; L7-L58 HydrophobicContact CD2-CD2 4.42Å; L7-I61 HydrophobicContact CB-CD1 3.83Å |
| 8 | E | 91.1 | Very high | 87.1 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 173.6 | -71.6 | 179.7 | 157.3 | 0 | 0 | 111.5 | I4 F5 I10 S11 I61 K64 | I4-E8 PolarHBondContact O-N 3.23Å; F5-E8 PolarHBondContact O-N 3.24Å; E8-I10 PolarHBondContact O-N 3.07Å; E8-S11 WeakPolarHBondContact O-CB 3.22Å; E8-S11 PolarHBondContact O-N 2.96Å; E8-I61 HydrophobicContact CB-CD1 4.49Å; E8-I61 HydrophobicContact CG-CD1 3.6Å; E8-I61 HydrophobicContact CG-CG1 3.8Å; E8-K64 IonicContact OE1-NZ 3.73Å |
| 9 | E | 93.5 | Very high | 87.5 | Confident | 159 Ų | 159 | 72.3 Ų | 72.3 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.6 | -37.6 | 177.5 | -74.9 | 176.1 | 177.6 | 0 | 0 | 114 | F5 L7 S11 | F5-E9 PolarHBondContact O-N 3.44Å; F5-E9 VanDerWaalsContact O-N 3.07Å; L7-E9 VanDerWaalsContact C-N 3.34Å; E9-S11 VanDerWaalsContact C-N 3.35Å |
| 10 | I | 93.7 | Very high | 87.8 | Confident | 107 Ų | 107 | 69.4 Ų | 69.4 | 55% | 0.549 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.9 | 179.5 | 67.5 | 172.5 | 0 | 0 | 0 | 113 | L7 E8 | L7-I10 HydrophobicContact CD2-CD1 4.11Å; L7-I10 WeakPolarHBondContact O-CG1 3.24Å; E8-I10 PolarHBondContact O-N 3.07Å |
| 11 | S | 91.8 | Very high | 87.8 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | trans | -79.3 | 156 | -178.5 | -76.6 | 0 | 0 | 0 | 0 | 112 | L7 E8 E9 | L7-S11 WeakPolarHBondContact O-CB 3.32Å; L7-S11 PolarHBondContact O-N 3.32Å; L7-S11 PolarHBondContact O-OG 3.21Å; E8-S11 WeakPolarHBondContact O-CB 3.22Å; E8-S11 PolarHBondContact O-N 2.96Å; E9-S11 VanDerWaalsContact C-N 3.35Å | ||
| 12 | P | 91 | Very high | 89.3 | Confident | 74 Ų | 74 | 63 Ų | 63 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | cis | -79.7 | 141 | 4.6 | 32.1 | -34.5 | 0 | 0 | 0 | 113.5 | ||||
| 13 | V | 96.2 | Very high | 89.8 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | trans | -104.1 | 121.1 | 169.4 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | L15 L58 N62 L69 | V13-L15 WeakPolarHBondContact CG1-O 3.48Å; V13-L58 HydrophobicContact CB-CD1 4.1Å; V13-L58 HydrophobicContact CB-CD2 3.99Å; V13-L58 HydrophobicContact CG1-CD1 4.01Å; V13-L58 HydrophobicContact CG2-CD1 4.34Å; V13-L58 HydrophobicContact CG2-CD2 3.85Å; V13-N62 PolarHBondContact O-ND2 3.16Å; V13-L69 HydrophobicContact CG1-CD1 4.3Å; V13-L69 VanDerWaalsContact O-CD1 3.24Å; V13-L69 WeakPolarHBondContact O-CD1 3.45Å | ||
| 14 | D | 97.3 | Very high | 89.2 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -94.3 | -18 | -179.6 | -60.7 | -48.9 | 0 | 0 | 0 | 113.3 | R67 F70 F248 | D14-R67 VanDerWaalsContact CG-NH2 3.32Å; D14-R67 IonicContact OD1-CZ 3.86Å; D14-R67 IonicContact OD1-NE 2.76Å; D14-R67 PolarHBondContact OD1-NE 3.17Å; D14-R67 VanDerWaalsContact OD1-NE 3.12Å; D14-R67 IonicContact OD1-NH2 3.1Å; D14-R67 PolarHBondContact OD1-NH2 2.72Å; D14-R67 IonicContact OD2-NH2 3.37Å; D14-R67 PolarHBondContact OD2-NH2 3.46Å; D14-R67 VanDerWaalsContact OD2-NH2 3.1Å; D14-F70 PolarHBondContact O-N 3.42Å; D14-F248 HydrophobicContact CB-CE1 3.54Å; D14-F248 HydrophobicContact CB-CZ 3.7Å |
| 15 | L | 98 | Very high | 87.8 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 119.3 | -179.3 | 176.8 | 62.5 | 0 | 0 | 0 | 111.6 | V13 I17 F70 I116 L244 | V13-L15 WeakPolarHBondContact CG1-O 3.48Å; L15-I17 HydrophobicContact CD1-CG2 3.8Å; L15-I17 HydrophobicContact CD2-CG2 4.18Å; L15-I17 HydrophobicContact CG-CG2 3.83Å; L15-F70 CarbonylContact C-O 3.55Å; L15-F70 VanDerWaalsContact CA-O 3.26Å; L15-F70 WeakPolarHBondContact CA-O 3.29Å; L15-F70 HydrophobicContact CD1-CB 3.75Å; L15-I116 HydrophobicContact CD1-CD1 4.18Å; L15-L244 HydrophobicContact CD1-CD1 4.18Å; L15-L244 HydrophobicContact CD2-CD1 4.02Å |
| 16 | L | 98.2 | Very high | 85.9 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.5 | 171.9 | 175.9 | 68.6 | 0 | 0 | 0 | 111.2 | Y51 V54 L55 L58 L69 F70 W71 L72 | L16-Y51 HydrophobicContact CD1-CE2 4.42Å; L16-Y51 HydrophobicContact CD2-CE2 3.94Å; L16-Y51 HydrophobicContact CG-CE2 3.87Å; L16-V54 HydrophobicContact CD1-CG1 4.06Å; L16-V54 HydrophobicContact CD2-CG1 4.28Å; L16-L55 HydrophobicContact CD2-CB 3.66Å; L16-L55 HydrophobicContact CD2-CD1 3.94Å; L16-L55 HydrophobicContact CD2-CG 4.39Å; L16-L58 HydrophobicContact CB-CD1 4.25Å; L16-L58 HydrophobicContact CD1-CD1 4.15Å; L16-L58 HydrophobicContact CD2-CD1 4.24Å; L16-L58 HydrophobicContact CG-CD1 4.44Å; L16-L69 HydrophobicContact CB-CD1 4.4Å; L16-F70 PolarHBondContact N-O 3.01Å; L16-W71 HydrophobicContact CB-CB 4.17Å; L16-W71 CarbonylContact O-C 3.42Å; L16-W71 WeakPolarHBondContact O-CA 3.48Å; L16-L72 PolarHBondContact O-N 3.4Å |
| 17 | I | 98.3 | Very high | 83.6 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 42% | 0.421 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.7 | 179.4 | 63.9 | 171 | 0 | 0 | 0 | 111.3 | L15 L72 W232 M241 | L15-I17 HydrophobicContact CD1-CG2 3.8Å; L15-I17 HydrophobicContact CD2-CG2 4.18Å; L15-I17 HydrophobicContact CG-CG2 3.83Å; I17-L72 CarbonylContact C-O 3.58Å; I17-L72 WeakPolarHBondContact CA-O 3.48Å; I17-L72 HydrophobicContact CG2-CB 4.15Å; I17-W232 HydrophobicContact CB-CH2 4Å; I17-W232 HydrophobicContact CB-CZ3 4.4Å; I17-W232 HydrophobicContact CD1-CH2 4.41Å; I17-W232 HydrophobicContact CD1-CZ3 4.09Å; I17-M241 HydrophobicContact CD1-CE 4.44Å; I17-M241 HydrophobicContact CG2-CE 3.66Å |
| 18 | G | 97.1 | Very high | 81 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 156.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L72 F73 E74 | G18-L72 PolarHBondContact N-O 3.21Å; G18-F73 CarbonylContact O-C 3.53Å; G18-F73 VanDerWaalsContact O-CA 3.29Å; G18-F73 WeakPolarHBondContact O-CA 3.48Å; G18-E74 PolarHBondContact O-N 3.27Å |
| 19 | G | 95.3 | Very high | 78.3 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 117.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | E74 | G19-E74 VanDerWaalsContact CA-O 3.3Å; G19-E74 WeakPolarHBondContact CA-O 3.34Å |
| 20 | S | 92.7 | Very high | 75.5 | Confident | 14 Ų | 14 | 59.3 Ų | 59.3 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | trans | -73.5 | 153.4 | -179.6 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | C22 F73 N75 | S20-C22 PolarHBondContact O-N 3.14Å; S20-F73 WeakPolarHBondContact OG-CZ 3.29Å; S20-N75 PolarHBondContact OG-ND2 2.98Å | ||
| 21 | P | 88.5 | Confident | 72.9 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | trans | -52.8 | 136 | 171.4 | -26.2 | 36.3 | 0 | 0 | 0 | 111.7 | L47 | P21-L47 HydrophobicContact CG-CD1 3.84Š| ||
| 22 | C | 81.4 | Confident | 70.7 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | trans | -103.7 | 14 | -176.1 | 66.7 | 0 | 0 | 0 | 0 | 113.3 | S20 N75 V76 | S20-C22 PolarHBondContact O-N 3.14Å; C22-N75 WeakPolarHBondContact CB-OD1 3.39Å; C22-V76 HydrophobicContact CB-CB 4.34Å; C22-V76 HydrophobicContact CB-CG1 3.57Å; C22-V76 HydrophobicContact CB-CG2 3.85Å; C22-V76 VanDerWaalsContact SG-CG1 3.53Å | ||
| 23 | N | 67.1 | Low | 68.4 | Low | 102 Ų | 102 | 63.9 Ų | 63.9 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -84.7 | -23.5 | -167.5 | -59.7 | -17.8 | 0 | 0 | 0 | 112.5 | ||
| 24 | D | 58.3 | Low | 65.8 | Low | 75 Ų | 75 | 65.8 Ų | 65.8 | 40% | 0.401 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -115 | 147.8 | -173.4 | -59.6 | -30.8 | 0 | 0 | 0 | 112.9 | T44 | D24-T44 VanDerWaalsContact OD2-CB 3.29Å; D24-T44 WeakPolarHBondContact OD2-CB 3.41Å; D24-T44 VanDerWaalsContact OD2-CG2 3.3Å; D24-T44 WeakPolarHBondContact OD2-CG2 3.34Å; D24-T44 PolarHBondContact OD2-N 3.04Å; D24-T44 PolarHBondContact OD2-OG1 3.26Å |
| 25 | K | 49.1 | Very low | 63.1 | Low | 144 Ų | 144 | 71.2 Ų | 71.2 | 63% | 0.626 | 44% | 0.439 | S | S | * | . | trans | -83.4 | 124.8 | 175.7 | -69.8 | 178.9 | -173.6 | 177 | 0 | 108.1 | H27 Y83 | K25-H27 PolarHBondContact O-N 3.38Å; K25-Y83 WeakPolarHBondContact CA-OH 3.26Å; K25-Y83 HydrophobicContact CB-CE2 4.32Å; K25-Y83 VanDerWaalsContact CB-OH 3.26Å; K25-Y83 WeakPolarHBondContact CB-OH 3.5Å | ||
| 26 | L | 44.8 | Very low | 60.4 | Low | 13 Ų | 13 | 72.2 Ų | 72.2 | 7% | 0.068 | 45% | 0.447 | C | S | . | . | trans | -61.5 | 118.8 | 160.1 | -68 | 152.7 | 0 | 0 | 0 | 106.6 | T28 F49 Y83 | L26-T28 PolarHBondContact O-N 2.76Å; L26-F49 HydrophobicContact CD2-CE2 4.18Å; L26-Y83 HydrophobicContact CB-CD1 3.69Å; L26-Y83 HydrophobicContact CB-CE1 3.48Å; L26-Y83 VanDerWaalsContact CB-CE1 3.48Å; L26-Y83 HydrophobicContact CB-CG 4.46Å; L26-Y83 HydrophobicContact CD1-CD1 3.83Å; L26-Y83 HydrophobicContact CD1-CE1 4.49Å; L26-Y83 HydrophobicContact CD1-CG 4.08Å; L26-Y83 HydrophobicContact CG-CD1 4.31Å; L26-Y83 PolarHBondContact N-OH 3.1Å; L26-Y83 WeakPolarHBondContact O-CE1 3.49Å; L26-Y83 PolarHBondContact O-OH 3.12Å | ||
| 27 | H | 40.2 | Very low | 58.2 | Low | 118 Ų | 118 | 72.2 Ų | 72.2 | 55% | 0.546 | 45% | 0.451 | S | S | . | . | trans | -66.2 | 111.3 | -176.8 | -106.6 | 87.1 | 0 | 0 | 0 | 110.2 | K25 G29 V38 D40 | K25-H27 PolarHBondContact O-N 3.38Å; H27-G29 PolarHBondContact O-N 2.87Å; H27-V38 CarbonylContact C-O 3.5Å; H27-V38 PolarHBondContact N-O 2.64Å; H27-V38 VanDerWaalsContact N-O 3.15Å; H27-V38 CarbonylContact O-C 3.53Å; H27-V38 WeakPolarHBondContact O-CA 3.28Å; H27-V38 WeakPolarHBondContact O-CB 3.48Å; H27-V38 PolarHBondContact O-N 2.79Å; H27-D40 HydrophobicContact CB-CB 4.45Å; H27-D40 IonicContact ND1-OD2 3.54Å | ||
| 28 | T | 37.2 | Very low | 55.7 | Low | 22 Ų | 22 | 72 Ų | 72 | 14% | 0.135 | 45% | 0.453 | C | S | . | . | B | Isolated β-bridge | trans | -64.3 | 130.1 | 161 | 47.1 | 0 | 0 | 0 | 0 | 106.2 | L26 R80 C82 Y83 | L26-T28 PolarHBondContact O-N 2.76Å; T28-R80 PolarHBondContact OG1-NH1 3.45Å; T28-R80 PolarHBondContact OG1-NH2 2.78Å; T28-C82 HydrophobicContact CG2-CB 4.15Å; T28-C82 VanDerWaalsContact CG2-SG 3.59Å; T28-Y83 HydrophobicContact CG2-CE1 4.4Å |
| 29 | G | 34.7 | Very low | 53.7 | Low | 27 Ų | 27 | 73.2 Ų | 73.2 | 28% | 0.278 | 46% | 0.459 | S | S | . | . | trans | -49.2 | 158.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H27 V36 | H27-G29 PolarHBondContact O-N 2.87Å; G29-V36 PolarHBondContact N-O 3.29Å | ||
| 30 | S | 34.1 | Very low | 52 | Low | 111 Ų | 111 | 73.8 Ų | 73.8 | 78% | 0.776 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -36.9 | 143.5 | 179 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | A32 D33 | S30-A32 PolarHBondContact O-N 3.45Å; S30-D33 PolarHBondContact O-N 2.93Å |
| 31 | A | 40.7 | Very low | 50.4 | Low | 103 Ų | 103 | 78.1 Ų | 78.1 | 85% | 0.851 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -4.1 | -165 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||
| 32 | A | 44.8 | Very low | 49.1 | Very low | 96 Ų | 96 | 84.5 Ų | 84.5 | 79% | 0.793 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -27.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S30 | S30-A32 PolarHBondContact O-N 3.45Š|
| 33 | D | 42.4 | Very low | 48.4 | Very low | 108 Ų | 108 | 81.9 Ų | 81.9 | 58% | 0.578 | 49% | 0.489 | S | S | * | . | trans | -118.4 | 44.1 | -174.2 | -88.7 | -28.5 | 0 | 0 | 0 | 112.8 | S30 N35 V36 | S30-D33 PolarHBondContact O-N 2.93Å; D33-N35 PolarHBondContact O-N 3.41Å; D33-V36 PolarHBondContact O-N 2.91Å | ||
| 34 | S | 40.8 | Very low | 48.8 | Very low | 70 Ų | 70 | 79.2 Ų | 79.2 | 49% | 0.49 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -6.9 | -177.7 | 58.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 35 | N | 41 | Very low | 49.7 | Very low | 159 Ų | 159 | 76 Ų | 76 | 85% | 0.85 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -6 | 177.7 | -68.9 | -34.1 | 0 | 0 | 0 | 114.8 | D33 | D33-N35 PolarHBondContact O-N 3.41Š|
| 36 | V | 42.9 | Very low | 51.4 | Low | 82 Ų | 82 | 72.2 Ų | 72.2 | 50% | 0.497 | 45% | 0.447 | S | S | . | . | trans | -115.1 | 103.5 | 178.4 | -172 | 0 | 0 | 0 | 0 | 109.2 | G29 D33 V38 | G29-V36 PolarHBondContact N-O 3.29Å; D33-V36 PolarHBondContact O-N 2.91Å; V36-V38 HydrophobicContact CG1-CG2 4.06Å; V36-V38 PolarHBondContact O-N 3.13Å; V36-V38 VanDerWaalsContact O-N 3.08Å | ||
| 37 | A | 50.2 | Low | 53.6 | Low | 24 Ų | 24 | 75.2 Ų | 75.2 | 20% | 0.198 | 46% | 0.463 | C | S | . | . | B | Isolated β-bridge | trans | -68.6 | 104.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | V86 | A37-V86 HydrophobicContact CB-CG2 3.54Å |
| 38 | V | 47.1 | Very low | 56.1 | Low | 76 Ų | 76 | 69.8 Ų | 69.8 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | trans | -83.6 | 120.9 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 105.6 | H27 V36 D40 | H27-V38 CarbonylContact C-O 3.5Å; H27-V38 PolarHBondContact N-O 2.64Å; H27-V38 VanDerWaalsContact N-O 3.15Å; H27-V38 CarbonylContact O-C 3.53Å; H27-V38 WeakPolarHBondContact O-CA 3.28Å; H27-V38 WeakPolarHBondContact O-CB 3.48Å; H27-V38 PolarHBondContact O-N 2.79Å; V36-V38 HydrophobicContact CG1-CG2 4.06Å; V36-V38 PolarHBondContact O-N 3.13Å; V36-V38 VanDerWaalsContact O-N 3.08Å; V38-D40 PolarHBondContact O-N 2.98Å; V38-D40 VanDerWaalsContact O-N 3.09Å | ||
| 39 | S | 55.5 | Low | 58.7 | Low | 43 Ų | 43 | 71.1 Ų | 71.1 | 30% | 0.301 | 44% | 0.442 | S | S | . | . | trans | -61 | 119.1 | 173.2 | 53.2 | 0 | 0 | 0 | 0 | 107.9 | P41 | S39-P41 WeakPolarHBondContact O-CD 3.4Š| ||
| 40 | D | 58.5 | Low | 61.4 | Low | 50 Ų | 50 | 72.6 Ų | 72.6 | 27% | 0.267 | 44% | 0.442 | S | S | . | . | trans | -61.3 | 114 | 164.1 | -177.1 | -13.5 | 0 | 0 | 0 | 106.7 | H27 V38 E42 G43 | H27-D40 HydrophobicContact CB-CB 4.45Å; H27-D40 IonicContact ND1-OD2 3.54Å; V38-D40 PolarHBondContact O-N 2.98Å; V38-D40 VanDerWaalsContact O-N 3.09Å; D40-E42 PolarHBondContact O-N 3.43Å; D40-E42 VanDerWaalsContact O-N 3.15Å; D40-E42 PolarHBondContact OD1-N 3.23Å; D40-G43 PolarHBondContact O-N 3.46Å; D40-G43 PolarHBondContact OD1-N 3.46Å | ||
| 41 | P | 59.6 | Low | 64.4 | Low | 105 Ų | 105 | 68.4 Ų | 68.4 | 68% | 0.682 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25 | -177.8 | -20.9 | 32.8 | 0 | 0 | 0 | 112.5 | S39 | S39-P41 WeakPolarHBondContact O-CD 3.4Š|
| 42 | E | 60.8 | Low | 67 | Low | 186 Ų | 186 | 66.4 Ų | 66.4 | 87% | 0.869 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -12.6 | -179.6 | -59.5 | -174.8 | 177.1 | 0 | 0 | 112.5 | D40 | D40-E42 PolarHBondContact O-N 3.43Å; D40-E42 VanDerWaalsContact O-N 3.15Å; D40-E42 PolarHBondContact OD1-N 3.23Å |
| 43 | G | 66.3 | Low | 69.4 | Low | 6 Ų | 6 | 64.5 Ų | 64.5 | 6% | 0.062 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -79.8 | 143.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D40 G45 I46 | D40-G43 PolarHBondContact O-N 3.46Å; D40-G43 PolarHBondContact OD1-N 3.46Å; G43-G45 PolarHBondContact O-N 3.22Å; G43-I46 VanDerWaalsContact O-CG2 3.31Å; G43-I46 WeakPolarHBondContact O-CG2 3.35Å; G43-I46 PolarHBondContact O-N 2.95Å |
| 44 | T | 76.6 | Confident | 72 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -66.8 | -11.5 | 177.7 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | D24 I46 L47 | D24-T44 VanDerWaalsContact OD2-CB 3.29Å; D24-T44 WeakPolarHBondContact OD2-CB 3.41Å; D24-T44 VanDerWaalsContact OD2-CG2 3.3Å; D24-T44 WeakPolarHBondContact OD2-CG2 3.34Å; D24-T44 PolarHBondContact OD2-N 3.04Å; D24-T44 PolarHBondContact OD2-OG1 3.26Å; T44-I46 PolarHBondContact O-N 2.9Å; T44-L47 WeakPolarHBondContact O-CB 3.39Å; T44-L47 WeakPolarHBondContact O-CG 3.25Å; T44-L47 PolarHBondContact O-N 3.44Å; T44-L47 VanDerWaalsContact O-N 3.1Å |
| 45 | G | 76.7 | Confident | 74.6 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -59.2 | -23.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G43 L47 F48 | G43-G45 PolarHBondContact O-N 3.22Å; G45-L47 PolarHBondContact O-N 3.3Å; G45-F48 PolarHBondContact O-N 3.07Å |
| 46 | I | 84.4 | Confident | 77.3 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 32% | 0.323 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -62 | -24.3 | 175.6 | -160.6 | 168.6 | 0 | 0 | 0 | 112.9 | G43 T44 F48 F49 | G43-I46 VanDerWaalsContact O-CG2 3.31Å; G43-I46 WeakPolarHBondContact O-CG2 3.35Å; G43-I46 PolarHBondContact O-N 2.95Å; T44-I46 PolarHBondContact O-N 2.9Å; I46-F48 PolarHBondContact O-N 3.36Å; I46-F48 VanDerWaalsContact O-N 3.15Å; I46-F49 HydrophobicContact CG1-CD2 4.19Å; I46-F49 WeakPolarHBondContact O-CB 3.4Å; I46-F49 PolarHBondContact O-N 3.4Å |
| 47 | L | 90.4 | Very high | 79.8 | Confident | 76 Ų | 76 | 50.5 Ų | 50.5 | 40% | 0.398 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.5 | -15.9 | -178.3 | -62.5 | 174.7 | 0 | 0 | 0 | 113.2 | P21 T44 G45 F49 E50 Y51 | P21-L47 HydrophobicContact CG-CD1 3.84Å; T44-L47 WeakPolarHBondContact O-CB 3.39Å; T44-L47 WeakPolarHBondContact O-CG 3.25Å; T44-L47 PolarHBondContact O-N 3.44Å; T44-L47 VanDerWaalsContact O-N 3.1Å; G45-L47 PolarHBondContact O-N 3.3Å; L47-F49 VanDerWaalsContact C-N 3.29Å; L47-E50 HydrophobicContact CD2-CG 4.41Å; L47-E50 PolarHBondContact O-N 2.96Å; L47-Y51 PolarHBondContact O-N 3.34Å |
| 48 | F | 92.5 | Very high | 82 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | 165.4 | 165.4 | -110.9 | 0 | 0 | 0 | 111.6 | G45 I46 E50 Y51 Y52 F73 I87 F90 L91 | G45-F48 PolarHBondContact O-N 3.07Å; I46-F48 PolarHBondContact O-N 3.36Å; I46-F48 VanDerWaalsContact O-N 3.15Å; F48-E50 VanDerWaalsContact C-N 3.28Å; F48-E50 PolarHBondContact O-N 2.91Å; F48-Y51 WeakPolarHBondContact O-CB 3.33Å; F48-Y51 PolarHBondContact O-N 3.45Å; F48-Y52 PolarHBondContact O-N 2.82Å; F48-F73 HydrophobicContact CB-CZ 4.42Å; F48-F73 HydrophobicContact CD2-CD1 4.34Å; F48-F73 AromaticContact CD2-CE1 3.66Å; F48-F73 HydrophobicContact CD2-CE1 3.66Å; F48-F73 AromaticContact CD2-CE2 3.98Å; F48-F73 HydrophobicContact CD2-CE2 3.98Å; F48-F73 AromaticContact CD2-CZ 3.47Å; F48-F73 HydrophobicContact CD2-CZ 3.47Å; F48-F73 VanDerWaalsContact CD2-CZ 3.47Å; F48-F73 HydrophobicContact CE2-CD1 4.32Å; F48-F73 HydrophobicContact CE2-CE1 4.02Å; F48-F73 HydrophobicContact CE2-CZ 4.22Å; F48-F73 HydrophobicContact CG-CZ 4.37Å; F48-I87 HydrophobicContact CD1-CG1 4.2Å; F48-I87 HydrophobicContact CD2-CG1 4.24Å; F48-I87 HydrophobicContact CD2-CG2 4.47Å; F48-I87 HydrophobicContact CE1-CG1 4.07Å; F48-I87 HydrophobicContact CE2-CB 4.33Å; F48-I87 HydrophobicContact CE2-CG1 4.12Å; F48-I87 HydrophobicContact CE2-CG2 3.78Å; F48-I87 HydrophobicContact CG-CG1 4.27Å; F48-I87 HydrophobicContact CZ-CB 4.12Å; F48-I87 HydrophobicContact CZ-CG1 4.03Å; F48-I87 HydrophobicContact CZ-CG2 3.95Å; F48-F90 HydrophobicContact CE1-CB 3.88Å; F48-F90 HydrophobicContact CE1-CG 4.16Å; F48-F90 HydrophobicContact CZ-CB 3.74Å; F48-L91 HydrophobicContact CE2-CD1 4.01Å; F48-L91 HydrophobicContact CE2-CD2 4.15Å; F48-L91 HydrophobicContact CE2-CG 3.97Å; F48-L91 HydrophobicContact CZ-CD1 4.48Å; F48-L91 HydrophobicContact CZ-CD2 4.36Å; F48-L91 HydrophobicContact CZ-CG 4.04Å |
| 49 | F | 92.3 | Very high | 84.3 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 22% | 0.219 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.4 | -28.6 | -179.5 | -60.2 | -70.1 | 0 | 0 | 0 | 112.1 | L26 I46 L47 Y52 R53 V86 F90 | L26-F49 HydrophobicContact CD2-CE2 4.18Å; I46-F49 HydrophobicContact CG1-CD2 4.19Å; I46-F49 WeakPolarHBondContact O-CB 3.4Å; I46-F49 PolarHBondContact O-N 3.4Å; L47-F49 VanDerWaalsContact C-N 3.29Å; F49-Y52 PolarHBondContact O-N 3.22Å; F49-R53 VanDerWaalsContact O-CB 3.25Å; F49-R53 WeakPolarHBondContact O-CB 3.12Å; F49-R53 PolarHBondContact O-N 2.67Å; F49-V86 HydrophobicContact CZ-CG1 4.32Å; F49-F90 HydrophobicContact CD1-CD1 4.2Å; F49-F90 AromaticContact CD1-CE1 3.91Å; F49-F90 HydrophobicContact CD1-CE1 3.91Å; F49-F90 HydrophobicContact CD1-CZ 4.21Å; F49-F90 HydrophobicContact CE1-CD1 4.14Å; F49-F90 HydrophobicContact CE1-CD2 4.22Å; F49-F90 AromaticContact CE1-CE1 3.77Å; F49-F90 HydrophobicContact CE1-CE1 3.77Å; F49-F90 AromaticContact CE1-CE2 3.85Å; F49-F90 HydrophobicContact CE1-CE2 3.85Å; F49-F90 HydrophobicContact CE1-CG 4.35Å; F49-F90 AromaticContact CE1-CZ 3.61Å; F49-F90 HydrophobicContact CE1-CZ 3.61Å |
| 50 | E | 92.8 | Very high | 86.2 | Confident | 58 Ų | 58 | 51.5 Ų | 51.5 | 27% | 0.271 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 170 | -71.7 | -56.4 | 141.3 | 0 | 0 | 111.9 | M1 L47 F48 Y52 R53 V54 | M1-E50 WeakPolarHBondContact CE-OE1 3.31Å; L47-E50 HydrophobicContact CD2-CG 4.41Å; L47-E50 PolarHBondContact O-N 2.96Å; F48-E50 VanDerWaalsContact C-N 3.28Å; F48-E50 PolarHBondContact O-N 2.91Å; E50-Y52 VanDerWaalsContact C-N 3.34Å; E50-Y52 PolarHBondContact O-N 2.8Å; E50-R53 PolarHBondContact O-N 2.9Å; E50-R53 IonicContact OE1-NE 2.9Å; E50-R53 IonicContact OE2-CZ 2.8Å; E50-R53 VanDerWaalsContact OE2-CZ 3.28Å; E50-R53 IonicContact OE2-NE 3.28Å; E50-R53 PolarHBondContact OE2-NE 3.16Å; E50-R53 IonicContact OE2-NH2 3.12Å; E50-R53 PolarHBondContact OE2-NH2 3.1Å; E50-V54 WeakPolarHBondContact O-CG2 3.43Å; E50-V54 PolarHBondContact O-N 3.02Å |
| 51 | Y | 95.5 | Very high | 87.9 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 9% | 0.09 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 172.6 | 175.5 | -87.6 | 0 | 0 | 0 | 111 | L16 L47 F48 R53 V54 L55 W71 L72 F73 L91 | L16-Y51 HydrophobicContact CD1-CE2 4.42Å; L16-Y51 HydrophobicContact CD2-CE2 3.94Å; L16-Y51 HydrophobicContact CG-CE2 3.87Å; L47-Y51 PolarHBondContact O-N 3.34Å; F48-Y51 WeakPolarHBondContact O-CB 3.33Å; F48-Y51 PolarHBondContact O-N 3.45Å; Y51-R53 VanDerWaalsContact C-N 3.33Å; Y51-R53 PolarHBondContact O-N 3.18Å; Y51-V54 PolarHBondContact O-N 3.4Å; Y51-L55 HydrophobicContact CE1-CB 4.38Å; Y51-L55 HydrophobicContact CE1-CD2 4.09Å; Y51-L55 WeakPolarHBondContact O-CB 3.46Å; Y51-L55 PolarHBondContact O-N 2.88Å; Y51-W71 HydrophobicContact CE1-CE3 4.32Å; Y51-L72 VanDerWaalsContact OH-C 3.28Å; Y51-L72 PolarHBondContact OH-O 2.81Å; Y51-F73 HydrophobicContact CD1-CB 4.29Å; Y51-F73 AromaticContact CD1-CD2 3.52Å; Y51-F73 HydrophobicContact CD1-CD2 3.52Å; Y51-F73 HydrophobicContact CD1-CE2 4.16Å; Y51-F73 HydrophobicContact CD1-CG 4.09Å; Y51-F73 AromaticContact CD2-CD2 3.93Å; Y51-F73 HydrophobicContact CD2-CD2 3.93Å; Y51-F73 HydrophobicContact CE1-CB 3.65Å; Y51-F73 AromaticContact CE1-CD2 3.74Å; Y51-F73 HydrophobicContact CE1-CD2 3.74Å; Y51-F73 AromaticContact CE1-CG 3.97Å; Y51-F73 HydrophobicContact CE1-CG 3.97Å; Y51-F73 HydrophobicContact CE2-CD2 4.1Å; Y51-F73 AromaticContact CG-CD2 3.64Å; Y51-F73 HydrophobicContact CG-CD2 3.64Å; Y51-F73 HydrophobicContact CG-CE2 4.04Å; Y51-L91 HydrophobicContact CE1-CD2 4.38Å |
| 52 | Y | 96 | Very high | 89.6 | Confident | 61 Ų | 61 | 45 Ų | 45 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 179 | 177.8 | -106.2 | 0 | 0 | 0 | 112 | F48 F49 E50 V54 L55 Q56 F90 L91 | F48-Y52 PolarHBondContact O-N 2.82Å; F49-Y52 PolarHBondContact O-N 3.22Å; E50-Y52 VanDerWaalsContact C-N 3.34Å; E50-Y52 PolarHBondContact O-N 2.8Å; Y52-V54 PolarHBondContact O-N 2.8Å; Y52-L55 WeakPolarHBondContact O-CB 3.39Å; Y52-L55 PolarHBondContact O-N 3.23Å; Y52-Q56 HydrophobicContact CD1-CG 4.23Å; Y52-Q56 HydrophobicContact CD2-CG 4.25Å; Y52-Q56 HydrophobicContact CE1-CG 3.74Å; Y52-Q56 HydrophobicContact CE2-CG 3.74Å; Y52-Q56 HydrophobicContact CG-CG 4.48Å; Y52-Q56 VanDerWaalsContact CZ-CG 3.49Å; Y52-Q56 WeakPolarHBondContact O-CG 3.25Å; Y52-Q56 PolarHBondContact O-N 3.23Å; Y52-F90 AromaticContact CD1-CD1 3.68Å; Y52-F90 HydrophobicContact CD1-CD1 3.68Å; Y52-F90 HydrophobicContact CD1-CE1 4.29Å; Y52-F90 HydrophobicContact CD2-CB 4.19Å; Y52-F90 HydrophobicContact CD2-CD1 4.4Å; Y52-F90 AromaticContact CE1-CD1 3.64Å; Y52-F90 HydrophobicContact CE1-CD1 3.64Å; Y52-F90 HydrophobicContact CE1-CE1 4.19Å; Y52-F90 HydrophobicContact CE2-CB 4.25Å; Y52-F90 HydrophobicContact CE2-CD1 4.38Å; Y52-F90 WeakPolarHBondContact CE2-O 3.3Å; Y52-F90 HydrophobicContact CG-CD1 4.06Å; Y52-F90 AromaticContact CZ-CD1 3.99Å; Y52-L91 HydrophobicContact CD2-CD2 4.15Å |
| 53 | R | 94.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 21% | 0.211 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 177.2 | -172.1 | -174.1 | 63.9 | 67.2 | 3.6 | 111.5 | F2 F49 E50 Y51 N57 | F2-R53 PolarHBondContact O-NH1 3.12Å; F49-R53 VanDerWaalsContact O-CB 3.25Å; F49-R53 WeakPolarHBondContact O-CB 3.12Å; F49-R53 PolarHBondContact O-N 2.67Å; E50-R53 PolarHBondContact O-N 2.9Å; E50-R53 IonicContact OE1-NE 2.9Å; E50-R53 IonicContact OE2-CZ 2.8Å; E50-R53 VanDerWaalsContact OE2-CZ 3.28Å; E50-R53 IonicContact OE2-NE 3.28Å; E50-R53 PolarHBondContact OE2-NE 3.16Å; E50-R53 IonicContact OE2-NH2 3.12Å; E50-R53 PolarHBondContact OE2-NH2 3.1Å; Y51-R53 VanDerWaalsContact C-N 3.33Å; Y51-R53 PolarHBondContact O-N 3.18Å; R53-N57 PolarHBondContact O-N 3.17Å; R53-N57 PolarHBondContact O-ND2 3.01Å |
| 54 | V | 96.4 | Very high | 92.5 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 16% | 0.158 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 175.8 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L7 L16 E50 Y51 Y52 Q56 N57 L58 | L7-V54 HydrophobicContact CD1-CG1 4.31Å; L7-V54 HydrophobicContact CD2-CG1 4.15Å; L16-V54 HydrophobicContact CD1-CG1 4.06Å; L16-V54 HydrophobicContact CD2-CG1 4.28Å; E50-V54 WeakPolarHBondContact O-CG2 3.43Å; E50-V54 PolarHBondContact O-N 3.02Å; Y51-V54 PolarHBondContact O-N 3.4Å; Y52-V54 PolarHBondContact O-N 2.8Å; V54-Q56 PolarHBondContact O-N 2.78Å; V54-N57 PolarHBondContact O-N 2.9Å; V54-L58 HydrophobicContact CG1-CD1 3.94Å; V54-L58 HydrophobicContact CG1-CG 4.33Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 2.87Å |
| 55 | L | 97.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.3 | -49.3 | 177.3 | 174.3 | 60.2 | 0 | 0 | 0 | 111.8 | L16 Y51 Y52 N57 L58 L59 L69 W71 L91 | L16-L55 HydrophobicContact CD2-CB 3.66Å; L16-L55 HydrophobicContact CD2-CD1 3.94Å; L16-L55 HydrophobicContact CD2-CG 4.39Å; Y51-L55 HydrophobicContact CE1-CB 4.38Å; Y51-L55 HydrophobicContact CE1-CD2 4.09Å; Y51-L55 WeakPolarHBondContact O-CB 3.46Å; Y51-L55 PolarHBondContact O-N 2.88Å; Y52-L55 WeakPolarHBondContact O-CB 3.39Å; Y52-L55 PolarHBondContact O-N 3.23Å; L55-N57 PolarHBondContact O-N 2.92Å; L55-L58 PolarHBondContact O-N 3.46Å; L55-L59 HydrophobicContact CD1-CD1 3.99Å; L55-L59 HydrophobicContact CD1-CG 4.04Å; L55-L59 HydrophobicContact CG-CD1 3.99Å; L55-L59 HydrophobicContact CG-CG 4.47Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.3Å; L55-L59 PolarHBondContact O-N 3.42Å; L55-L69 HydrophobicContact CD1-CD2 3.9Å; L55-W71 HydrophobicContact CD1-CB 3.77Å; L55-W71 HydrophobicContact CD1-CD2 4Å; L55-W71 HydrophobicContact CD1-CG 3.55Å; L55-W71 HydrophobicContact CD2-CD2 3.83Å; L55-W71 HydrophobicContact CD2-CE3 3.91Å; L55-W71 HydrophobicContact CD2-CG 4.29Å; L55-W71 HydrophobicContact CD2-CZ2 4.43Å; L55-W71 HydrophobicContact CD2-CZ3 4.27Å; L55-L91 HydrophobicContact CD2-CD2 3.9Å |
| 56 | Q | 96.1 | Very high | 94.2 | Very high | 70 Ų | 70 | 56.2 Ų | 56.2 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 180 | -68.3 | -54.8 | -55.3 | 0 | 0 | 112.2 | Y52 V54 L59 L60 | Y52-Q56 HydrophobicContact CD1-CG 4.23Å; Y52-Q56 HydrophobicContact CD2-CG 4.25Å; Y52-Q56 HydrophobicContact CE1-CG 3.74Å; Y52-Q56 HydrophobicContact CE2-CG 3.74Å; Y52-Q56 HydrophobicContact CG-CG 4.48Å; Y52-Q56 VanDerWaalsContact CZ-CG 3.49Å; Y52-Q56 WeakPolarHBondContact O-CG 3.25Å; Y52-Q56 PolarHBondContact O-N 3.23Å; V54-Q56 PolarHBondContact O-N 2.78Å; Q56-L59 PolarHBondContact O-N 3.35Å; Q56-L60 WeakPolarHBondContact O-CG 3.02Å; Q56-L60 PolarHBondContact O-N 2.83Å; Q56-L60 VanDerWaalsContact O-N 3.07Å |
| 57 | N | 95.7 | Very high | 94.7 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 177.6 | -75.1 | -56.9 | 0 | 0 | 0 | 111.9 | I4 L7 R53 V54 L55 L59 L60 I61 | I4-N57 WeakPolarHBondContact CD1-OD1 3.42Å; I4-N57 HydrophobicContact CG1-CB 4.43Å; L7-N57 HydrophobicContact CD1-CB 3.45Å; L7-N57 VanDerWaalsContact CD1-CB 3.45Å; R53-N57 PolarHBondContact O-N 3.17Å; R53-N57 PolarHBondContact O-ND2 3.01Å; V54-N57 PolarHBondContact O-N 2.9Å; L55-N57 PolarHBondContact O-N 2.92Å; N57-L59 VanDerWaalsContact C-N 3.34Å; N57-L59 PolarHBondContact O-N 3.18Å; N57-L60 PolarHBondContact O-N 3.25Å; N57-I61 VanDerWaalsContact O-CG1 3.29Å; N57-I61 WeakPolarHBondContact O-CG1 3.4Å; N57-I61 PolarHBondContact O-N 3.48Å |
| 58 | L | 96.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -35.9 | 177 | -71.3 | 178.7 | 0 | 0 | 0 | 112.5 | L7 V13 L16 V54 L55 L60 I61 N62 L69 | L7-L58 HydrophobicContact CB-CD2 4.34Å; L7-L58 HydrophobicContact CD2-CD2 4.42Å; V13-L58 HydrophobicContact CB-CD1 4.1Å; V13-L58 HydrophobicContact CB-CD2 3.99Å; V13-L58 HydrophobicContact CG1-CD1 4.01Å; V13-L58 HydrophobicContact CG2-CD1 4.34Å; V13-L58 HydrophobicContact CG2-CD2 3.85Å; L16-L58 HydrophobicContact CB-CD1 4.25Å; L16-L58 HydrophobicContact CD1-CD1 4.15Å; L16-L58 HydrophobicContact CD2-CD1 4.24Å; L16-L58 HydrophobicContact CG-CD1 4.44Å; V54-L58 HydrophobicContact CG1-CD1 3.94Å; V54-L58 HydrophobicContact CG1-CG 4.33Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 2.87Å; L55-L58 PolarHBondContact O-N 3.46Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-I61 HydrophobicContact CD2-CD1 4.46Å; L58-I61 PolarHBondContact O-N 2.93Å; L58-N62 WeakPolarHBondContact O-CB 3.38Å; L58-N62 PolarHBondContact O-N 3.47Å; L58-L69 HydrophobicContact CB-CD2 3.71Å |
| 59 | L | 95.5 | Very high | 95.2 | Very high | 62 Ų | 62 | 60.9 Ų | 60.9 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 173.1 | -74.3 | 170 | 0 | 0 | 0 | 111.5 | L55 Q56 N57 A63 L69 | L55-L59 HydrophobicContact CD1-CD1 3.99Å; L55-L59 HydrophobicContact CD1-CG 4.04Å; L55-L59 HydrophobicContact CG-CD1 3.99Å; L55-L59 HydrophobicContact CG-CG 4.47Å; L55-L59 WeakPolarHBondContact O-CB 3.36Å; L55-L59 VanDerWaalsContact O-CG 3.28Å; L55-L59 WeakPolarHBondContact O-CG 3.3Å; L55-L59 PolarHBondContact O-N 3.42Å; Q56-L59 PolarHBondContact O-N 3.35Å; N57-L59 VanDerWaalsContact C-N 3.34Å; N57-L59 PolarHBondContact O-N 3.18Å; L59-A63 VanDerWaalsContact O-CB 3.22Å; L59-A63 WeakPolarHBondContact O-CB 3.27Å; L59-A63 PolarHBondContact O-N 2.83Å; L59-L69 HydrophobicContact CD2-CB 4.18Å; L59-L69 HydrophobicContact CD2-CD2 3.84Å; L59-L69 HydrophobicContact CG-CD2 3.95Å |
| 60 | L | 94.6 | Very high | 95.5 | Very high | 98 Ų | 98 | 59.4 Ų | 59.4 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 176.9 | -69.7 | 171.8 | 0 | 0 | 0 | 112.1 | Q56 N57 L58 A63 K64 | Q56-L60 WeakPolarHBondContact O-CG 3.02Å; Q56-L60 PolarHBondContact O-N 2.83Å; Q56-L60 VanDerWaalsContact O-N 3.07Å; N57-L60 PolarHBondContact O-N 3.25Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L60-A63 PolarHBondContact O-N 3.45Å; L60-K64 WeakPolarHBondContact O-CG 3.1Å; L60-K64 PolarHBondContact O-N 3.25Å; L60-K64 VanDerWaalsContact O-N 3.13Å |
| 61 | I | 95 | Very high | 95.7 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.087 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 179.1 | -66.2 | 163.6 | 0 | 0 | 0 | 110.3 | L7 E8 N57 L58 A63 K64 A65 | L7-I61 HydrophobicContact CB-CD1 3.83Å; E8-I61 HydrophobicContact CB-CD1 4.49Å; E8-I61 HydrophobicContact CG-CD1 3.6Å; E8-I61 HydrophobicContact CG-CG1 3.8Å; N57-I61 VanDerWaalsContact O-CG1 3.29Å; N57-I61 WeakPolarHBondContact O-CG1 3.4Å; N57-I61 PolarHBondContact O-N 3.48Å; L58-I61 HydrophobicContact CD2-CD1 4.46Å; L58-I61 PolarHBondContact O-N 2.93Å; I61-A63 PolarHBondContact O-N 3.36Å; I61-K64 PolarHBondContact O-N 3.39Å; I61-A65 PolarHBondContact O-N 2.87Å; I61-A65 VanDerWaalsContact O-N 3.1Å |
| 62 | N | 95.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.7 | -34.8 | -179.9 | -79 | 17.8 | 0 | 0 | 0 | 112.5 | V13 L58 A65 K66 R67 N68 L69 | V13-N62 PolarHBondContact O-ND2 3.16Å; L58-N62 WeakPolarHBondContact O-CB 3.38Å; L58-N62 PolarHBondContact O-N 3.47Å; N62-A65 CarbonylContact O-C 3.55Å; N62-A65 PolarHBondContact O-N 3.44Å; N62-K66 PolarHBondContact O-N 3.14Å; N62-R67 HydrophobicContact CB-CB 4.28Å; N62-R67 PolarHBondContact O-N 3Å; N62-N68 PolarHBondContact ND2-O 3.14Å; N62-L69 HydrophobicContact CB-CB 4.49Å |
| 63 | A | 94.6 | Very high | 96 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 59% | 0.587 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.9 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L59 L60 I61 A65 K66 | L59-A63 VanDerWaalsContact O-CB 3.22Å; L59-A63 WeakPolarHBondContact O-CB 3.27Å; L59-A63 PolarHBondContact O-N 2.83Å; L60-A63 PolarHBondContact O-N 3.45Å; I61-A63 PolarHBondContact O-N 3.36Å; A63-A65 VanDerWaalsContact C-N 3.29Å; A63-A65 PolarHBondContact O-N 3.38Å; A63-K66 PolarHBondContact O-N 3.23Å; A63-K66 VanDerWaalsContact O-N 3.11Å |
| 64 | K | 94.1 | Very high | 96.1 | Very high | 151 Ų | 151 | 51.3 Ų | 51.3 | 66% | 0.657 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.2 | -41.5 | 173.8 | -68.2 | 174.2 | -174.7 | 176.3 | 0 | 111.5 | E8 L60 I61 K66 | E8-K64 IonicContact OE1-NZ 3.73Å; L60-K64 WeakPolarHBondContact O-CG 3.1Å; L60-K64 PolarHBondContact O-N 3.25Å; L60-K64 VanDerWaalsContact O-N 3.13Å; I61-K64 PolarHBondContact O-N 3.39Å; K64-K66 PolarHBondContact O-N 3.38Å |
| 65 | A | 93.9 | Very high | 96.1 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 0.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I61 N62 A63 R67 | I61-A65 PolarHBondContact O-N 2.87Å; I61-A65 VanDerWaalsContact O-N 3.1Å; N62-A65 CarbonylContact O-C 3.55Å; N62-A65 PolarHBondContact O-N 3.44Å; A63-A65 VanDerWaalsContact C-N 3.29Å; A63-A65 PolarHBondContact O-N 3.38Å; A65-R67 HydrophobicContact CB-CG 4.07Å; A65-R67 PolarHBondContact O-N 3.45Å |
| 66 | K | 95.3 | Very high | 95.9 | Very high | 201 Ų | 201 | 51.6 Ų | 51.6 | 87% | 0.874 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.2 | -173.2 | -58 | 179.9 | -179.4 | 177.5 | 0 | 113.2 | N62 A63 K64 | N62-K66 PolarHBondContact O-N 3.14Å; A63-K66 PolarHBondContact O-N 3.23Å; A63-K66 VanDerWaalsContact O-N 3.11Å; K64-K66 PolarHBondContact O-N 3.38Å |
| 67 | R | 94.8 | Very high | 95.8 | Very high | 108 Ų | 108 | 49.3 Ų | 49.3 | 41% | 0.408 | 26% | 0.257 | S | S | . | . | trans | -108.5 | 151.4 | 177.3 | -64.1 | -175.2 | 71.3 | 93.4 | -5.2 | 111 | D14 N62 A65 | D14-R67 VanDerWaalsContact CG-NH2 3.32Å; D14-R67 IonicContact OD1-CZ 3.86Å; D14-R67 IonicContact OD1-NE 2.76Å; D14-R67 PolarHBondContact OD1-NE 3.17Å; D14-R67 VanDerWaalsContact OD1-NE 3.12Å; D14-R67 IonicContact OD1-NH2 3.1Å; D14-R67 PolarHBondContact OD1-NH2 2.72Å; D14-R67 IonicContact OD2-NH2 3.37Å; D14-R67 PolarHBondContact OD2-NH2 3.46Å; D14-R67 VanDerWaalsContact OD2-NH2 3.1Å; N62-R67 HydrophobicContact CB-CB 4.28Å; N62-R67 PolarHBondContact O-N 3Å; A65-R67 HydrophobicContact CB-CG 4.07Å; A65-R67 PolarHBondContact O-N 3.45Å | ||
| 68 | N | 94.2 | Very high | 95.6 | Very high | 124 Ų | 124 | 53.1 Ų | 53.1 | 66% | 0.663 | 29% | 0.286 | S | S | * | . | trans | -82.2 | 142.7 | 171 | -67.2 | -39.5 | 0 | 0 | 0 | 110 | N62 | N62-N68 PolarHBondContact ND2-O 3.14Š| ||
| 69 | L | 97.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | trans | -111.9 | 120.7 | 167.5 | 179.5 | 64.3 | 0 | 0 | 0 | 108.7 | V13 L16 L55 L58 L59 N62 N115 | V13-L69 HydrophobicContact CG1-CD1 4.3Å; V13-L69 VanDerWaalsContact O-CD1 3.24Å; V13-L69 WeakPolarHBondContact O-CD1 3.45Å; L16-L69 HydrophobicContact CB-CD1 4.4Å; L55-L69 HydrophobicContact CD1-CD2 3.9Å; L58-L69 HydrophobicContact CB-CD2 3.71Å; L59-L69 HydrophobicContact CD2-CB 4.18Å; L59-L69 HydrophobicContact CD2-CD2 3.84Å; L59-L69 HydrophobicContact CG-CD2 3.95Å; N62-L69 HydrophobicContact CB-CB 4.49Å; L69-N115 PolarHBondContact O-ND2 3.37Å | ||
| 70 | F | 98.5 | Very high | 94.8 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 9% | 0.088 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 143.6 | 162.8 | -66.7 | -69.4 | 0 | 0 | 0 | 109.8 | D14 L15 L16 N115 I116 P117 L244 F247 F248 | D14-F70 PolarHBondContact O-N 3.42Å; L15-F70 CarbonylContact C-O 3.55Å; L15-F70 VanDerWaalsContact CA-O 3.26Å; L15-F70 WeakPolarHBondContact CA-O 3.29Å; L15-F70 HydrophobicContact CD1-CB 3.75Å; L16-F70 PolarHBondContact N-O 3.01Å; F70-N115 VanDerWaalsContact CA-OD1 3.31Å; F70-N115 WeakPolarHBondContact CA-OD1 3.27Å; F70-I116 HydrophobicContact CB-CD1 3.82Å; F70-I116 HydrophobicContact CD1-CD1 4.29Å; F70-I116 HydrophobicContact CG-CD1 4.37Å; F70-P117 HydrophobicContact CE1-CG 4.14Å; F70-L244 HydrophobicContact CB-CD2 4.27Å; F70-L244 HydrophobicContact CD1-CD2 3.82Å; F70-L244 HydrophobicContact CD2-CD2 3.78Å; F70-L244 HydrophobicContact CE1-CD2 4.05Å; F70-L244 HydrophobicContact CE2-CD2 4Å; F70-L244 HydrophobicContact CG-CD2 3.67Å; F70-L244 HydrophobicContact CZ-CD2 4.13Å; F70-F247 HydrophobicContact CE2-CB 4.07Å; F70-F247 HydrophobicContact CE2-CD1 4.17Å; F70-F247 HydrophobicContact CE2-CD2 4.47Å; F70-F247 AromaticContact CE2-CG 3.98Å; F70-F247 HydrophobicContact CE2-CG 3.98Å; F70-F247 HydrophobicContact CZ-CB 4.37Å; F70-F247 AromaticContact CZ-CD1 3.75Å; F70-F247 HydrophobicContact CZ-CD1 3.75Å; F70-F247 HydrophobicContact CZ-CD2 4.03Å; F70-F247 AromaticContact CZ-CE1 3.97Å; F70-F247 HydrophobicContact CZ-CE1 3.97Å; F70-F247 HydrophobicContact CZ-CE2 4.24Å; F70-F247 AromaticContact CZ-CG 3.78Å; F70-F247 HydrophobicContact CZ-CG 3.78Å; F70-F247 HydrophobicContact CZ-CZ 4.21Å; F70-F248 AromaticContact CD2-CE2 3.79Å; F70-F248 HydrophobicContact CD2-CE2 3.79Å; F70-F248 AromaticContact CD2-CZ 3.78Å; F70-F248 HydrophobicContact CD2-CZ 3.78Å; F70-F248 AromaticContact CE2-CE2 3.92Å; F70-F248 HydrophobicContact CE2-CE2 3.92Å; F70-F248 AromaticContact CE2-CZ 3.99Å; F70-F248 HydrophobicContact CE2-CZ 3.99Å |
| 71 | W | 98.5 | Very high | 94.5 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 151.3 | 175.5 | 66.8 | -86.7 | 0 | 0 | 0 | 112.6 | L16 Y51 L55 F73 L91 W113 G114 N115 | L16-W71 HydrophobicContact CB-CB 4.17Å; L16-W71 CarbonylContact O-C 3.42Å; L16-W71 WeakPolarHBondContact O-CA 3.48Å; Y51-W71 HydrophobicContact CE1-CE3 4.32Å; L55-W71 HydrophobicContact CD1-CB 3.77Å; L55-W71 HydrophobicContact CD1-CD2 4Å; L55-W71 HydrophobicContact CD1-CG 3.55Å; L55-W71 HydrophobicContact CD2-CD2 3.83Å; L55-W71 HydrophobicContact CD2-CE3 3.91Å; L55-W71 HydrophobicContact CD2-CG 4.29Å; L55-W71 HydrophobicContact CD2-CZ2 4.43Å; L55-W71 HydrophobicContact CD2-CZ3 4.27Å; W71-F73 HydrophobicContact CZ3-CB 4.23Å; W71-L91 HydrophobicContact CH2-CB 3.9Å; W71-L91 HydrophobicContact CH2-CD1 4.19Å; W71-L91 HydrophobicContact CH2-CD2 4.05Å; W71-L91 HydrophobicContact CH2-CG 4.27Å; W71-L91 HydrophobicContact CZ3-CB 4.46Å; W71-L91 HydrophobicContact CZ3-CD1 3.96Å; W71-L91 HydrophobicContact CZ3-CD2 3.93Å; W71-L91 HydrophobicContact CZ3-CG 4.35Å; W71-W113 HydrophobicContact CH2-CB 4.03Å; W71-W113 HydrophobicContact CZ3-CB 3.86Å; W71-G114 WeakPolarHBondContact O-CA 3.38Å; W71-N115 VanDerWaalsContact CD1-CG 3.48Å; W71-N115 PolarHBondContact N-OD1 3.01Å; W71-N115 PolarHBondContact O-N 3.3Å; W71-N115 PolarHBondContact O-OD1 2.98Å |
| 72 | L | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 126.7 | 178.9 | -168.5 | 73.1 | 0 | 0 | 0 | 110 | L16 I17 G18 Y51 F112 W113 I116 M119 I240 M241 | L16-L72 PolarHBondContact O-N 3.4Å; I17-L72 CarbonylContact C-O 3.58Å; I17-L72 WeakPolarHBondContact CA-O 3.48Å; I17-L72 HydrophobicContact CG2-CB 4.15Å; G18-L72 PolarHBondContact N-O 3.21Å; Y51-L72 VanDerWaalsContact OH-C 3.28Å; Y51-L72 PolarHBondContact OH-O 2.81Å; L72-F112 HydrophobicContact CD1-CB 4.25Å; L72-F112 HydrophobicContact CD1-CD1 4.08Å; L72-F112 HydrophobicContact CD2-CD1 4.07Å; L72-F112 HydrophobicContact CD2-CE1 4.38Å; L72-F112 HydrophobicContact CG-CD1 4.12Å; L72-W113 CarbonylContact C-O 3.42Å; L72-W113 WeakPolarHBondContact CA-O 3.41Å; L72-I116 HydrophobicContact CB-CG1 4.47Å; L72-I116 HydrophobicContact CD1-CG1 4.13Å; L72-M119 HydrophobicContact CD1-CE 3.57Å; L72-M119 HydrophobicContact CD1-SD 4.08Å; L72-I240 HydrophobicContact CD1-CG2 3.87Å; L72-I240 HydrophobicContact CD2-CG2 4.11Å; L72-M241 HydrophobicContact CD2-CE 3.88Å |
| 73 | F | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.4 | 172.5 | -176.4 | -104.7 | 0 | 0 | 0 | 110 | G18 S20 F48 Y51 W71 N75 I87 L91 F112 W113 | G18-F73 CarbonylContact O-C 3.53Å; G18-F73 VanDerWaalsContact O-CA 3.29Å; G18-F73 WeakPolarHBondContact O-CA 3.48Å; S20-F73 WeakPolarHBondContact OG-CZ 3.29Å; F48-F73 HydrophobicContact CB-CZ 4.42Å; F48-F73 HydrophobicContact CD2-CD1 4.34Å; F48-F73 AromaticContact CD2-CE1 3.66Å; F48-F73 HydrophobicContact CD2-CE1 3.66Å; F48-F73 AromaticContact CD2-CE2 3.98Å; F48-F73 HydrophobicContact CD2-CE2 3.98Å; F48-F73 AromaticContact CD2-CZ 3.47Å; F48-F73 HydrophobicContact CD2-CZ 3.47Å; F48-F73 VanDerWaalsContact CD2-CZ 3.47Å; F48-F73 HydrophobicContact CE2-CD1 4.32Å; F48-F73 HydrophobicContact CE2-CE1 4.02Å; F48-F73 HydrophobicContact CE2-CZ 4.22Å; F48-F73 HydrophobicContact CG-CZ 4.37Å; Y51-F73 HydrophobicContact CD1-CB 4.29Å; Y51-F73 AromaticContact CD1-CD2 3.52Å; Y51-F73 HydrophobicContact CD1-CD2 3.52Å; Y51-F73 HydrophobicContact CD1-CE2 4.16Å; Y51-F73 HydrophobicContact CD1-CG 4.09Å; Y51-F73 AromaticContact CD2-CD2 3.93Å; Y51-F73 HydrophobicContact CD2-CD2 3.93Å; Y51-F73 HydrophobicContact CE1-CB 3.65Å; Y51-F73 AromaticContact CE1-CD2 3.74Å; Y51-F73 HydrophobicContact CE1-CD2 3.74Å; Y51-F73 AromaticContact CE1-CG 3.97Å; Y51-F73 HydrophobicContact CE1-CG 3.97Å; Y51-F73 HydrophobicContact CE2-CD2 4.1Å; Y51-F73 AromaticContact CG-CD2 3.64Å; Y51-F73 HydrophobicContact CG-CD2 3.64Å; Y51-F73 HydrophobicContact CG-CE2 4.04Å; W71-F73 HydrophobicContact CZ3-CB 4.23Å; F73-N75 HydrophobicContact CE1-CB 4.2Å; F73-I87 HydrophobicContact CD1-CG2 4.23Å; F73-I87 HydrophobicContact CE1-CD1 4.34Å; F73-I87 HydrophobicContact CE1-CG2 4.13Å; F73-L91 HydrophobicContact CB-CD1 4.1Å; F73-L91 HydrophobicContact CD1-CD1 3.88Å; F73-L91 HydrophobicContact CG-CD1 4.23Å; F73-F112 CarbonylContact O-C 3.34Å; F73-F112 WeakPolarHBondContact O-CA 3.49Å; F73-W113 HydrophobicContact CB-CB 4.36Å; F73-W113 HydrophobicContact CD1-CD2 4.38Å; F73-W113 AromaticContact CD1-CE3 3.7Å; F73-W113 HydrophobicContact CD1-CE3 3.7Å; F73-W113 HydrophobicContact CD1-CZ3 4.17Å; F73-W113 HydrophobicContact CE1-CE3 4.32Å; F73-W113 HydrophobicContact CE1-CZ3 4.35Å; F73-W113 PolarHBondContact N-O 3.43Å; F73-W113 PolarHBondContact O-N 3.47Å |
| 74 | E | 97.5 | Very high | 93.3 | Very high | 15 Ų | 15 | 57.8 Ų | 57.8 | 7% | 0.07 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145 | -179 | -178.4 | -86.3 | 160 | 0 | 0 | 111.8 | G18 G19 R110 Y111 F112 W232 | G18-E74 PolarHBondContact O-N 3.27Å; G19-E74 VanDerWaalsContact CA-O 3.3Å; G19-E74 WeakPolarHBondContact CA-O 3.34Å; E74-R110 HydrophobicContact CG-CB 4.28Å; E74-R110 WeakPolarHBondContact OE1-CD 3.41Å; E74-R110 WeakPolarHBondContact OE1-CG 3.07Å; E74-R110 IonicContact OE1-NE 3.96Å; E74-R110 PolarHBondContact OE1-NE 3.46Å; E74-Y111 WeakPolarHBondContact CA-O 3.36Å; E74-F112 HydrophobicContact CB-CD1 3.82Å; E74-F112 HydrophobicContact CB-CE1 3.67Å; E74-F112 HydrophobicContact CB-CZ 4.37Å; E74-F112 HydrophobicContact CG-CD1 3.93Å; E74-F112 HydrophobicContact CG-CE1 3.45Å; E74-F112 VanDerWaalsContact CG-CE1 3.45Å; E74-F112 HydrophobicContact CG-CE2 4.24Å; E74-F112 HydrophobicContact CG-CZ 3.63Å; E74-W232 HydrophobicContact CB-CZ2 3.85Å; E74-W232 PolarHBondContact OE2-NE1 2.96Å |
| 75 | N | 95.5 | Very high | 93.2 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 8% | 0.08 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 171.9 | 168.5 | -153.8 | -26.8 | 0 | 0 | 0 | 111.9 | S20 C22 F73 M79 R110 Y111 W113 | S20-N75 PolarHBondContact OG-ND2 2.98Å; C22-N75 WeakPolarHBondContact CB-OD1 3.39Å; F73-N75 HydrophobicContact CE1-CB 4.2Å; N75-M79 HydrophobicContact CB-CE 3.42Å; N75-M79 VanDerWaalsContact CB-CE 3.42Å; N75-M79 VanDerWaalsContact CG-CE 3.48Å; N75-R110 WeakPolarHBondContact O-CD 3.43Å; N75-Y111 PolarHBondContact N-O 3.31Å; N75-Y111 PolarHBondContact O-N 3.18Å; N75-W113 HydrophobicContact CB-CZ3 4Å |
| 76 | V | 93.7 | Very high | 93.1 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 136.2 | -174.9 | -61.7 | 0 | 0 | 0 | 0 | 113.4 | C22 S78 M79 | C22-V76 HydrophobicContact CB-CB 4.34Å; C22-V76 HydrophobicContact CB-CG1 3.57Å; C22-V76 HydrophobicContact CB-CG2 3.85Å; C22-V76 VanDerWaalsContact SG-CG1 3.53Å; V76-S78 PolarHBondContact O-N 3.17Å; V76-M79 HydrophobicContact CG2-CB 4.2Å; V76-M79 WeakPolarHBondContact O-CE 3.27Å; V76-M79 WeakPolarHBondContact O-CG 3.16Å; V76-M79 PolarHBondContact O-N 3.43Å |
| 77 | A | 93.8 | Very high | 93.1 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M79 L97 A109 Y111 | A77-M79 VanDerWaalsContact C-N 3.28Å; A77-M79 PolarHBondContact O-N 3.02Å; A77-L97 HydrophobicContact CB-CD1 3.77Å; A77-A109 HydrophobicContact CB-CB 3.75Å; A77-A109 WeakPolarHBondContact CB-O 3.36Å; A77-A109 PolarHBondContact N-O 3.41Å; A77-Y111 HydrophobicContact CB-CD2 4.33Å; A77-Y111 HydrophobicContact CB-CE2 4.16Å; A77-Y111 WeakPolarHBondContact O-CE2 3.45Å |
| 78 | S | 90.8 | Very high | 93.1 | Very high | 109 Ų | 109 | 39.9 Ų | 39.9 | 76% | 0.762 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | 10.4 | 178.8 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | V76 | V76-S78 PolarHBondContact O-N 3.17Š|
| 79 | M | 89.3 | Confident | 93.2 | Very high | 24 Ų | 24 | 44 Ų | 44 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -62.6 | 156.7 | 174 | 66 | 173.6 | 66.4 | 0 | 0 | 111 | N75 V76 A77 K84 I87 Y111 W113 | N75-M79 HydrophobicContact CB-CE 3.42Å; N75-M79 VanDerWaalsContact CB-CE 3.42Å; N75-M79 VanDerWaalsContact CG-CE 3.48Å; V76-M79 HydrophobicContact CG2-CB 4.2Å; V76-M79 WeakPolarHBondContact O-CE 3.27Å; V76-M79 WeakPolarHBondContact O-CG 3.16Å; V76-M79 PolarHBondContact O-N 3.43Å; A77-M79 VanDerWaalsContact C-N 3.28Å; A77-M79 PolarHBondContact O-N 3.02Å; M79-K84 HydrophobicContact CG-CB 4.21Å; M79-K84 HydrophobicContact SD-CB 3.68Å; M79-K84 HydrophobicContact SD-CG 4.33Å; M79-I87 HydrophobicContact CE-CD1 4.03Å; M79-I87 HydrophobicContact SD-CD1 4.11Å; M79-Y111 HydrophobicContact CE-CD2 4.24Å; M79-Y111 HydrophobicContact CG-CD2 4.35Å; M79-Y111 HydrophobicContact CG-CE2 4.29Å; M79-Y111 HydrophobicContact SD-CD2 4.3Å; M79-W113 HydrophobicContact CE-CH2 3.78Å; M79-W113 HydrophobicContact CE-CZ3 4.38Å; M79-W113 HydrophobicContact SD-CH2 4.19Å |
| 80 | R | 85.7 | Confident | 93.2 | Very high | 110 Ų | 110 | 47.3 Ų | 47.3 | 42% | 0.415 | 24% | 0.238 | S | C | . | . | trans | -64.2 | 144.8 | 172.6 | -66.4 | 173.7 | 65.5 | -165.8 | 2.1 | 110 | T28 C82 Y83 K84 | T28-R80 PolarHBondContact OG1-NH1 3.45Å; T28-R80 PolarHBondContact OG1-NH2 2.78Å; R80-C82 PolarHBondContact O-N 3.04Å; R80-Y83 HydrophobicContact CB-CD2 3.88Å; R80-Y83 HydrophobicContact CB-CE2 3.91Å; R80-Y83 HydrophobicContact CB-CG 4.31Å; R80-Y83 HydrophobicContact CG-CD2 4.41Å; R80-Y83 HydrophobicContact CG-CE2 4Å; R80-Y83 PolarHBondContact NH1-OH 2.88Å; R80-Y83 PolarHBondContact O-N 3.3Å; R80-K84 PolarHBondContact O-N 3.38Å | ||
| 81 | D | 88.3 | Confident | 93.1 | Very high | 123 Ų | 123 | 47 Ų | 47 | 66% | 0.658 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -58 | -36 | 179.9 | -68.3 | -31.2 | 0 | 0 | 0 | 112.6 | Y83 K84 T85 | D81-Y83 VanDerWaalsContact C-N 3.28Å; D81-Y83 PolarHBondContact O-N 3.16Å; D81-K84 WeakPolarHBondContact O-CB 3.14Å; D81-K84 PolarHBondContact O-N 2.93Å; D81-T85 PolarHBondContact O-N 3.15Å; D81-T85 PolarHBondContact O-OG1 3.4Å |
| 82 | C | 84.8 | Confident | 93.1 | Very high | 31 Ų | 31 | 49.3 Ų | 49.3 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | T28 R80 V86 | T28-C82 HydrophobicContact CG2-CB 4.15Å; T28-C82 VanDerWaalsContact CG2-SG 3.59Å; R80-C82 PolarHBondContact O-N 3.04Å; C82-V86 WeakPolarHBondContact O-CG2 3.29Å; C82-V86 PolarHBondContact O-N 3.41Å |
| 83 | Y | 86.1 | Confident | 93 | Very high | 19 Ų | 19 | 53.8 Ų | 53.8 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.2 | -42 | 177 | -54.5 | -24.3 | 0 | 0 | 0 | 111.3 | K25 L26 T28 R80 D81 T85 V86 I87 | K25-Y83 WeakPolarHBondContact CA-OH 3.26Å; K25-Y83 HydrophobicContact CB-CE2 4.32Å; K25-Y83 VanDerWaalsContact CB-OH 3.26Å; K25-Y83 WeakPolarHBondContact CB-OH 3.5Å; L26-Y83 HydrophobicContact CB-CD1 3.69Å; L26-Y83 HydrophobicContact CB-CE1 3.48Å; L26-Y83 VanDerWaalsContact CB-CE1 3.48Å; L26-Y83 HydrophobicContact CB-CG 4.46Å; L26-Y83 HydrophobicContact CD1-CD1 3.83Å; L26-Y83 HydrophobicContact CD1-CE1 4.49Å; L26-Y83 HydrophobicContact CD1-CG 4.08Å; L26-Y83 HydrophobicContact CG-CD1 4.31Å; L26-Y83 PolarHBondContact N-OH 3.1Å; L26-Y83 WeakPolarHBondContact O-CE1 3.49Å; L26-Y83 PolarHBondContact O-OH 3.12Å; T28-Y83 HydrophobicContact CG2-CE1 4.4Å; R80-Y83 HydrophobicContact CB-CD2 3.88Å; R80-Y83 HydrophobicContact CB-CE2 3.91Å; R80-Y83 HydrophobicContact CB-CG 4.31Å; R80-Y83 HydrophobicContact CG-CD2 4.41Å; R80-Y83 HydrophobicContact CG-CE2 4Å; R80-Y83 PolarHBondContact NH1-OH 2.88Å; R80-Y83 PolarHBondContact O-N 3.3Å; D81-Y83 VanDerWaalsContact C-N 3.28Å; D81-Y83 PolarHBondContact O-N 3.16Å; Y83-T85 VanDerWaalsContact C-N 3.3Å; Y83-T85 PolarHBondContact O-N 3.09Å; Y83-V86 PolarHBondContact O-N 3.32Å; Y83-I87 WeakPolarHBondContact O-CG1 3.38Å; Y83-I87 PolarHBondContact O-N 3.21Å |
| 84 | K | 90.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 57.6 Ų | 57.6 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 174.2 | -174.3 | -172.5 | 156.8 | -65.1 | 0 | 110.1 | M79 R80 D81 V86 I87 D88 P95 Y111 W113 | M79-K84 HydrophobicContact CG-CB 4.21Å; M79-K84 HydrophobicContact SD-CB 3.68Å; M79-K84 HydrophobicContact SD-CG 4.33Å; R80-K84 PolarHBondContact O-N 3.38Å; D81-K84 WeakPolarHBondContact O-CB 3.14Å; D81-K84 PolarHBondContact O-N 2.93Å; K84-V86 VanDerWaalsContact C-N 3.3Å; K84-V86 PolarHBondContact O-N 3.31Å; K84-I87 PolarHBondContact O-N 3.29Å; K84-D88 IonicContact NZ-OD2 2.72Å; K84-D88 PolarHBondContact NZ-OD2 3.25Å; K84-D88 WeakPolarHBondContact O-CB 3.21Å; K84-D88 PolarHBondContact O-N 3.04Å; K84-D88 VanDerWaalsContact O-OD1 3.1Å; K84-P95 HydrophobicContact CD-CG 4.48Å; K84-Y111 HydrophobicContact CD-CD2 4.46Å; K84-Y111 HydrophobicContact CD-CE2 3.83Å; K84-Y111 HydrophobicContact CG-CE2 4.4Å; K84-W113 HydrophobicContact CG-CZ2 4.2Å |
| 85 | T | 92 | Very high | 92.9 | Very high | 86 Ų | 86 | 57.9 Ų | 57.9 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.7 | -39 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | D81 Y83 R89 | D81-T85 PolarHBondContact O-N 3.15Å; D81-T85 PolarHBondContact O-OG1 3.4Å; Y83-T85 VanDerWaalsContact C-N 3.3Å; Y83-T85 PolarHBondContact O-N 3.09Å; T85-R89 WeakPolarHBondContact O-CB 3.5Å; T85-R89 PolarHBondContact O-N 3.03Å |
| 86 | V | 91.6 | Very high | 92.9 | Very high | 27 Ų | 27 | 57.6 Ų | 57.6 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.9 | -48 | 176.4 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | A37 F49 C82 Y83 K84 D88 R89 F90 | A37-V86 HydrophobicContact CB-CG2 3.54Å; F49-V86 HydrophobicContact CZ-CG1 4.32Å; C82-V86 WeakPolarHBondContact O-CG2 3.29Å; C82-V86 PolarHBondContact O-N 3.41Å; Y83-V86 PolarHBondContact O-N 3.32Å; K84-V86 VanDerWaalsContact C-N 3.3Å; K84-V86 PolarHBondContact O-N 3.31Å; V86-D88 VanDerWaalsContact C-N 3.32Å; V86-D88 PolarHBondContact O-N 3.13Å; V86-R89 PolarHBondContact O-N 3.22Å; V86-F90 HydrophobicContact CG1-CD2 3.99Å; V86-F90 HydrophobicContact CG1-CE2 4.09Å; V86-F90 WeakPolarHBondContact O-CD2 3.42Å; V86-F90 PolarHBondContact O-N 2.96Å |
| 87 | I | 94.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 177.4 | -64.8 | 170.1 | 0 | 0 | 0 | 110.2 | F48 F73 M79 Y83 K84 R89 F90 L91 W113 | F48-I87 HydrophobicContact CD1-CG1 4.2Å; F48-I87 HydrophobicContact CD2-CG1 4.24Å; F48-I87 HydrophobicContact CD2-CG2 4.47Å; F48-I87 HydrophobicContact CE1-CG1 4.07Å; F48-I87 HydrophobicContact CE2-CB 4.33Å; F48-I87 HydrophobicContact CE2-CG1 4.12Å; F48-I87 HydrophobicContact CE2-CG2 3.78Å; F48-I87 HydrophobicContact CG-CG1 4.27Å; F48-I87 HydrophobicContact CZ-CB 4.12Å; F48-I87 HydrophobicContact CZ-CG1 4.03Å; F48-I87 HydrophobicContact CZ-CG2 3.95Å; F73-I87 HydrophobicContact CD1-CG2 4.23Å; F73-I87 HydrophobicContact CE1-CD1 4.34Å; F73-I87 HydrophobicContact CE1-CG2 4.13Å; M79-I87 HydrophobicContact CE-CD1 4.03Å; M79-I87 HydrophobicContact SD-CD1 4.11Å; Y83-I87 WeakPolarHBondContact O-CG1 3.38Å; Y83-I87 PolarHBondContact O-N 3.21Å; K84-I87 PolarHBondContact O-N 3.29Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 3.1Å; I87-F90 PolarHBondContact O-N 2.88Å; I87-L91 HydrophobicContact CG2-CD1 3.57Å; I87-L91 HydrophobicContact CG2-CG 4.2Å; I87-L91 WeakPolarHBondContact O-CB 3.34Å; I87-L91 WeakPolarHBondContact O-CG 2.98Å; I87-L91 PolarHBondContact O-N 2.92Å; I87-W113 HydrophobicContact CB-CZ2 4.07Å; I87-W113 HydrophobicContact CD1-CH2 4.31Å; I87-W113 HydrophobicContact CG2-CD2 3.81Å; I87-W113 VanDerWaalsContact CG2-CE2 3.47Å; I87-W113 HydrophobicContact CG2-CE3 4.17Å; I87-W113 HydrophobicContact CG2-CG 4.39Å; I87-W113 HydrophobicContact CG2-CH2 3.97Å; I87-W113 HydrophobicContact CG2-CZ2 3.58Å; I87-W113 HydrophobicContact CG2-CZ3 4.24Å |
| 88 | D | 95.9 | Very high | 93 | Very high | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.6 | -44.4 | 177.2 | -68 | -2.9 | 0 | 0 | 0 | 111.4 | K84 V86 G92 R93 P95 W113 | K84-D88 IonicContact NZ-OD2 2.72Å; K84-D88 PolarHBondContact NZ-OD2 3.25Å; K84-D88 WeakPolarHBondContact O-CB 3.21Å; K84-D88 PolarHBondContact O-N 3.04Å; K84-D88 VanDerWaalsContact O-OD1 3.1Å; V86-D88 VanDerWaalsContact C-N 3.32Å; V86-D88 PolarHBondContact O-N 3.13Å; D88-G92 WeakPolarHBondContact O-CA 3.44Å; D88-G92 PolarHBondContact O-N 2.98Å; D88-R93 VanDerWaalsContact CA-O 3.32Å; D88-R93 WeakPolarHBondContact CA-O 3.4Å; D88-R93 PolarHBondContact O-N 2.86Å; D88-P95 VanDerWaalsContact OD1-CD 3.31Å; D88-P95 WeakPolarHBondContact OD1-CD 3.4Å; D88-W113 WeakPolarHBondContact OD1-CZ2 3.39Å; D88-W113 PolarHBondContact OD1-NE1 3.35Å |
| 89 | R | 96.2 | Very high | 93.1 | Very high | 210 Ų | 210 | 56.1 Ų | 56.1 | 79% | 0.792 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.6 | -50.1 | 178.6 | -179.1 | -179.7 | 178.1 | -178.7 | 0.4 | 111.7 | T85 V86 I87 G92 | T85-R89 WeakPolarHBondContact O-CB 3.5Å; T85-R89 PolarHBondContact O-N 3.03Å; V86-R89 PolarHBondContact O-N 3.22Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 3.1Å; R89-G92 PolarHBondContact O-N 2.58Å |
| 90 | F | 96.6 | Very high | 93.3 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 34% | 0.342 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | -178.2 | -87 | -102.2 | 0 | 0 | 0 | 111.6 | F48 F49 Y52 V86 I87 G92 | F48-F90 HydrophobicContact CE1-CB 3.88Å; F48-F90 HydrophobicContact CE1-CG 4.16Å; F48-F90 HydrophobicContact CZ-CB 3.74Å; F49-F90 HydrophobicContact CD1-CD1 4.2Å; F49-F90 AromaticContact CD1-CE1 3.91Å; F49-F90 HydrophobicContact CD1-CE1 3.91Å; F49-F90 HydrophobicContact CD1-CZ 4.21Å; F49-F90 HydrophobicContact CE1-CD1 4.14Å; F49-F90 HydrophobicContact CE1-CD2 4.22Å; F49-F90 AromaticContact CE1-CE1 3.77Å; F49-F90 HydrophobicContact CE1-CE1 3.77Å; F49-F90 AromaticContact CE1-CE2 3.85Å; F49-F90 HydrophobicContact CE1-CE2 3.85Å; F49-F90 HydrophobicContact CE1-CG 4.35Å; F49-F90 AromaticContact CE1-CZ 3.61Å; F49-F90 HydrophobicContact CE1-CZ 3.61Å; Y52-F90 AromaticContact CD1-CD1 3.68Å; Y52-F90 HydrophobicContact CD1-CD1 3.68Å; Y52-F90 HydrophobicContact CD1-CE1 4.29Å; Y52-F90 HydrophobicContact CD2-CB 4.19Å; Y52-F90 HydrophobicContact CD2-CD1 4.4Å; Y52-F90 AromaticContact CE1-CD1 3.64Å; Y52-F90 HydrophobicContact CE1-CD1 3.64Å; Y52-F90 HydrophobicContact CE1-CE1 4.19Å; Y52-F90 HydrophobicContact CE2-CB 4.25Å; Y52-F90 HydrophobicContact CE2-CD1 4.38Å; Y52-F90 WeakPolarHBondContact CE2-O 3.3Å; Y52-F90 HydrophobicContact CG-CD1 4.06Å; Y52-F90 AromaticContact CZ-CD1 3.99Å; V86-F90 HydrophobicContact CG1-CD2 3.99Å; V86-F90 HydrophobicContact CG1-CE2 4.09Å; V86-F90 WeakPolarHBondContact O-CD2 3.42Å; V86-F90 PolarHBondContact O-N 2.96Å; I87-F90 PolarHBondContact O-N 2.88Å; F90-G92 PolarHBondContact O-N 2.64Å |
| 91 | L | 97.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.068 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -80.6 | -3.9 | 178.5 | -62.9 | -178.1 | 0 | 0 | 0 | 113.6 | F48 Y51 Y52 L55 W71 F73 I87 R93 W113 | F48-L91 HydrophobicContact CE2-CD1 4.01Å; F48-L91 HydrophobicContact CE2-CD2 4.15Å; F48-L91 HydrophobicContact CE2-CG 3.97Å; F48-L91 HydrophobicContact CZ-CD1 4.48Å; F48-L91 HydrophobicContact CZ-CD2 4.36Å; F48-L91 HydrophobicContact CZ-CG 4.04Å; Y51-L91 HydrophobicContact CE1-CD2 4.38Å; Y52-L91 HydrophobicContact CD2-CD2 4.15Å; L55-L91 HydrophobicContact CD2-CD2 3.9Å; W71-L91 HydrophobicContact CH2-CB 3.9Å; W71-L91 HydrophobicContact CH2-CD1 4.19Å; W71-L91 HydrophobicContact CH2-CD2 4.05Å; W71-L91 HydrophobicContact CH2-CG 4.27Å; W71-L91 HydrophobicContact CZ3-CB 4.46Å; W71-L91 HydrophobicContact CZ3-CD1 3.96Å; W71-L91 HydrophobicContact CZ3-CD2 3.93Å; W71-L91 HydrophobicContact CZ3-CG 4.35Å; F73-L91 HydrophobicContact CB-CD1 4.1Å; F73-L91 HydrophobicContact CD1-CD1 3.88Å; F73-L91 HydrophobicContact CG-CD1 4.23Å; I87-L91 HydrophobicContact CG2-CD1 3.57Å; I87-L91 HydrophobicContact CG2-CG 4.2Å; I87-L91 WeakPolarHBondContact O-CB 3.34Å; I87-L91 WeakPolarHBondContact O-CG 2.98Å; I87-L91 PolarHBondContact O-N 2.92Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.03Å; L91-W113 HydrophobicContact CD1-CB 3.42Å; L91-W113 VanDerWaalsContact CD1-CB 3.42Å; L91-W113 HydrophobicContact CD1-CD2 4.06Å; L91-W113 HydrophobicContact CD1-CG 3.5Å; L91-W113 VanDerWaalsContact CD1-CG 3.5Å |
| 92 | G | 96.8 | Very high | 93.6 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 23.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D88 R89 F90 | D88-G92 WeakPolarHBondContact O-CA 3.44Å; D88-G92 PolarHBondContact O-N 2.98Å; R89-G92 PolarHBondContact O-N 2.58Å; F90-G92 PolarHBondContact O-N 2.64Å |
| 93 | R | 97 | Very high | 93.9 | Very high | 94 Ų | 94 | 50.8 Ų | 50.8 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -166 | 154.5 | -179.9 | 61.2 | -169.8 | 63.6 | -151.9 | -11.6 | 113.1 | D88 L91 W113 G114 Y120 | D88-R93 VanDerWaalsContact CA-O 3.32Å; D88-R93 WeakPolarHBondContact CA-O 3.4Å; D88-R93 PolarHBondContact O-N 2.86Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.03Å; R93-W113 PolarHBondContact O-NE1 2.79Å; R93-G114 VanDerWaalsContact CD-O 3.27Å; R93-G114 WeakPolarHBondContact CD-O 3.27Å; R93-G114 PolarHBondContact NH1-O 2.81Å; R93-Y120 WeakPolarHBondContact CD-OH 3.46Å |
| 94 | P | 96.6 | Very high | 94.2 | Very high | 80 Ų | 80 | 50.1 Ų | 50.1 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 164.1 | 168.1 | 31 | -35.6 | 0 | 0 | 0 | 112.1 | Y120 | P94-Y120 VanDerWaalsContact O-CE1 3.27Å; P94-Y120 WeakPolarHBondContact O-CE1 3.32Å; P94-Y120 PolarHBondContact O-OH 2.91Å |
| 95 | P | 96.9 | Very high | 94.3 | Very high | 20 Ų | 20 | 48 Ų | 48 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 156.9 | 176.4 | 30.3 | -28.6 | 0 | 0 | 0 | 112.3 | K84 D88 Y111 F112 W113 | K84-P95 HydrophobicContact CD-CG 4.48Å; D88-P95 VanDerWaalsContact OD1-CD 3.31Å; D88-P95 WeakPolarHBondContact OD1-CD 3.4Å; P95-Y111 HydrophobicContact CB-CD1 3.72Å; P95-Y111 HydrophobicContact CB-CG 3.85Å; P95-Y111 HydrophobicContact CG-CD1 3.43Å; P95-Y111 VanDerWaalsContact CG-CD1 3.43Å; P95-Y111 HydrophobicContact CG-CD2 4.37Å; P95-Y111 HydrophobicContact CG-CE1 3.96Å; P95-Y111 HydrophobicContact CG-CG 3.68Å; P95-F112 CarbonylContact C-O 3.53Å; P95-F112 WeakPolarHBondContact CA-O 3.43Å; P95-W113 HydrophobicContact CB-CD2 3.73Å; P95-W113 VanDerWaalsContact CB-CE2 3.46Å; P95-W113 HydrophobicContact CB-CE3 4.19Å; P95-W113 HydrophobicContact CB-CG 4.19Å; P95-W113 HydrophobicContact CB-CH2 4.17Å; P95-W113 HydrophobicContact CB-CZ2 3.71Å; P95-W113 HydrophobicContact CB-CZ3 4.39Å; P95-W113 HydrophobicContact CG-CH2 4.34Å; P95-W113 HydrophobicContact CG-CZ2 3.69Å |
| 96 | A | 95.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 44 Ų | 44 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y98 F112 M119 Y120 | A96-Y98 HydrophobicContact CB-CD2 4.12Å; A96-Y98 HydrophobicContact CB-CE2 3.61Å; A96-F112 PolarHBondContact N-O 2.87Å; A96-F112 PolarHBondContact O-N 3.03Å; A96-M119 HydrophobicContact CB-CE 4.28Å; A96-M119 WeakPolarHBondContact CB-O 3.37Å; A96-Y120 HydrophobicContact CB-CD1 3.8Å; A96-Y120 HydrophobicContact CB-CE1 3.99Å; A96-Y120 HydrophobicContact CB-CG 4.45Å |
| 97 | L | 95.1 | Very high | 94.3 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 44% | 0.44 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.6 | 176.3 | 177.7 | 62.9 | 0 | 0 | 0 | 110.1 | A77 A109 Y111 | A77-L97 HydrophobicContact CB-CD1 3.77Å; L97-A109 HydrophobicContact CD1-CB 4.19Å; L97-Y111 HydrophobicContact CB-CD1 4.24Å; L97-Y111 HydrophobicContact CB-CE1 4.14Å; L97-Y111 HydrophobicContact CD1-CD1 3.95Å; L97-Y111 HydrophobicContact CD1-CE1 3.79Å; L97-Y111 HydrophobicContact CG-CE1 4.43Å |
| 98 | Y | 94.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.7 | 173.5 | -75.1 | -103.2 | 0 | 0 | 0 | 110.1 | A96 F103 A109 R110 F112 M119 A122 V236 H239 I240 | A96-Y98 HydrophobicContact CB-CD2 4.12Å; A96-Y98 HydrophobicContact CB-CE2 3.61Å; Y98-F103 HydrophobicContact CD1-CE2 4.29Å; Y98-F103 HydrophobicContact CD1-CZ 4.28Å; Y98-A109 CarbonylContact O-C 3.59Å; Y98-A109 WeakPolarHBondContact O-CA 3.34Å; Y98-R110 PolarHBondContact N-O 3.08Å; Y98-R110 PolarHBondContact O-N 3.32Å; Y98-F112 HydrophobicContact CD2-CB 4.45Å; Y98-F112 AromaticContact CD2-CD2 3.66Å; Y98-F112 HydrophobicContact CD2-CD2 3.66Å; Y98-F112 HydrophobicContact CD2-CE2 4.31Å; Y98-F112 HydrophobicContact CD2-CG 4.35Å; Y98-F112 HydrophobicContact CG-CD2 4.09Å; Y98-F112 HydrophobicContact CG-CE2 4.29Å; Y98-M119 WeakPolarHBondContact CE2-O 3.34Å; Y98-M119 WeakPolarHBondContact OH-CA 3.35Å; Y98-M119 PolarHBondContact OH-O 2.6Å; Y98-A122 HydrophobicContact CD1-CB 4.12Å; Y98-A122 HydrophobicContact CE1-CB 3.17Å; Y98-A122 HydrophobicContact CE2-CB 4.17Å; Y98-A122 WeakPolarHBondContact OH-CB 3.4Å; Y98-V236 HydrophobicContact CD1-CG1 3.85Å; Y98-V236 HydrophobicContact CG-CG1 3.96Å; Y98-H239 AromaticContact CE1-CD2 3.87Å; Y98-I240 HydrophobicContact CD1-CD1 4.28Å; Y98-I240 HydrophobicContact CD1-CG1 4.26Å; Y98-I240 HydrophobicContact CD2-CD1 4.01Å; Y98-I240 HydrophobicContact CD2-CG1 4.46Å; Y98-I240 HydrophobicContact CE1-CD1 4.12Å; Y98-I240 HydrophobicContact CE1-CG1 3.65Å; Y98-I240 HydrophobicContact CE2-CD1 3.87Å; Y98-I240 HydrophobicContact CE2-CG1 3.91Å; Y98-I240 HydrophobicContact CG-CD1 4.2Å; Y98-I240 VanDerWaalsContact CZ-CG1 3.45Å |
| 99 | D | 92.7 | Very high | 94.1 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.2 | 170.7 | -164.7 | -21.5 | 0 | 0 | 0 | 110.7 | R101 F102 R108 A109 | D99-R101 HydrophobicContact CB-CG 3.96Å; D99-R101 PolarHBondContact O-N 3.27Å; D99-R101 PolarHBondContact OD1-N 3.24Å; D99-R101 WeakPolarHBondContact OD2-CD 3.4Å; D99-R101 IonicContact OD2-NE 3.58Å; D99-F102 HydrophobicContact CB-CD2 4.07Å; D99-F102 HydrophobicContact CB-CE2 4.11Å; D99-F102 WeakPolarHBondContact O-CD2 3.31Å; D99-F102 PolarHBondContact O-N 3.16Å; D99-R108 PolarHBondContact OD1-N 3.01Å; D99-A109 HydrophobicContact CB-CB 4.31Å |
| 100 | S | 93.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -58 | -17.1 | 176.6 | -57.1 | 0 | 0 | 0 | 0 | 113 | F102 F103 S104 Q106 R108 T233 | S100-F102 PolarHBondContact O-N 2.73Å; S100-F102 VanDerWaalsContact O-N 3.13Å; S100-F103 CarbonylContact O-C 3.53Å; S100-F103 PolarHBondContact O-N 2.82Å; S100-S104 PolarHBondContact O-N 3.01Å; S100-S104 PolarHBondContact O-OG 3.16Å; S100-Q106 CarbonylContact C-O 3.52Å; S100-R108 WeakPolarHBondContact CB-O 3.49Å; S100-R108 PolarHBondContact N-O 3.26Å; S100-R108 PolarHBondContact OG-O 2.82Å; S100-T233 WeakPolarHBondContact OG-CB 3.08Å; S100-T233 PolarHBondContact OG-OG1 2.64Å |
| 101 | R | 90.5 | Very high | 94.1 | Very high | 85 Ų | 85 | 35.3 Ų | 35.3 | 32% | 0.321 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -58.1 | -26.4 | 176.4 | 77.1 | -178.9 | -165.2 | 174.5 | 6.1 | 113.5 | D99 F103 Q106 L128 A131 R167 | D99-R101 HydrophobicContact CB-CG 3.96Å; D99-R101 PolarHBondContact O-N 3.27Å; D99-R101 PolarHBondContact OD1-N 3.24Å; D99-R101 WeakPolarHBondContact OD2-CD 3.4Å; D99-R101 IonicContact OD2-NE 3.58Å; R101-F103 VanDerWaalsContact C-N 3.31Å; R101-Q106 WeakPolarHBondContact CA-O 3.45Å; R101-Q106 PolarHBondContact N-O 3.05Å; R101-L128 HydrophobicContact CB-CD1 4.47Å; R101-L128 HydrophobicContact CG-CD1 4.08Å; R101-L128 WeakPolarHBondContact O-CD1 3.47Å; R101-A131 WeakPolarHBondContact O-CB 3.5Å; R101-R167 PolarHBondContact O-NE 2.93Å; R101-R167 PolarHBondContact O-NH2 2.91Å |
| 102 | F | 90.2 | Very high | 94.1 | Very high | 56 Ų | 56 | 34.9 Ų | 34.9 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -83 | -10.4 | 177.7 | -60.9 | -74.4 | 0 | 0 | 0 | 112.9 | D99 S100 V126 L128 A131 | D99-F102 HydrophobicContact CB-CD2 4.07Å; D99-F102 HydrophobicContact CB-CE2 4.11Å; D99-F102 WeakPolarHBondContact O-CD2 3.31Å; D99-F102 PolarHBondContact O-N 3.16Å; S100-F102 PolarHBondContact O-N 2.73Å; S100-F102 VanDerWaalsContact O-N 3.13Å; F102-V126 HydrophobicContact CB-CB 4.46Å; F102-V126 HydrophobicContact CB-CG1 4.09Å; F102-V126 WeakPolarHBondContact O-CG1 3.39Å; F102-L128 HydrophobicContact CD1-CB 4.04Å; F102-L128 HydrophobicContact CD1-CD1 3.81Å; F102-L128 HydrophobicContact CE1-CB 4.13Å; F102-L128 HydrophobicContact CE1-CD1 4.11Å; F102-A131 WeakPolarHBondContact O-CB 3.36Å |
| 103 | F | 91.5 | Very high | 94.2 | Very high | 31 Ų | 31 | 31.9 Ų | 31.9 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -14.2 | -173.4 | -58.2 | -97.1 | 0 | 0 | 0 | 113.5 | Y98 S100 R101 V126 P235 V236 H239 | Y98-F103 HydrophobicContact CD1-CE2 4.29Å; Y98-F103 HydrophobicContact CD1-CZ 4.28Å; S100-F103 CarbonylContact O-C 3.53Å; S100-F103 PolarHBondContact O-N 2.82Å; R101-F103 VanDerWaalsContact C-N 3.31Å; F103-V126 HydrophobicContact CD1-CG1 4.43Å; F103-V126 HydrophobicContact CE1-CB 4.33Å; F103-V126 HydrophobicContact CE1-CG1 4.29Å; F103-V126 HydrophobicContact CE1-CG2 3.67Å; F103-V126 HydrophobicContact CZ-CB 4.21Å; F103-V126 HydrophobicContact CZ-CG1 4.46Å; F103-V126 HydrophobicContact CZ-CG2 3.78Å; F103-P235 HydrophobicContact CB-CB 3.76Å; F103-P235 HydrophobicContact CD1-CB 4.33Å; F103-P235 HydrophobicContact CG-CB 4.46Å; F103-V236 HydrophobicContact CB-CG2 4.15Å; F103-V236 HydrophobicContact CD2-CG2 3.59Å; F103-V236 HydrophobicContact CE2-CG2 4.09Å; F103-V236 HydrophobicContact CG-CG2 3.86Å; F103-H239 HydrophobicContact CD1-CB 4.45Å; F103-H239 HydrophobicContact CE1-CB 3.61Å; F103-H239 AromaticContact CE1-CG 3.69Å; F103-H239 AromaticContact CE1-ND1 3.95Å; F103-H239 HydrophobicContact CZ-CB 4.24Å |
| 104 | S | 92 | Very high | 94.2 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 4% | 0.035 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -156.9 | 170.3 | -173.4 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | S100 Q106 R167 L206 | S100-S104 PolarHBondContact O-N 3.01Å; S100-S104 PolarHBondContact O-OG 3.16Å; S104-Q106 PolarHBondContact O-N 2.94Å; S104-Q106 VanDerWaalsContact O-N 3.16Å; S104-Q106 VanDerWaalsContact OG-CG 3.26Å; S104-Q106 WeakPolarHBondContact OG-CG 3.42Å; S104-R167 PolarHBondContact O-NE 2.83Å; S104-L206 WeakPolarHBondContact CB-O 3.39Å |
| 105 | A | 92.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -85.6 | 33.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P132 L134 I137 R167 V168 L206 | A105-P132 WeakPolarHBondContact CA-O 3.36Å; A105-P132 WeakPolarHBondContact CB-O 3.41Å; A105-P132 PolarHBondContact N-O 3.11Å; A105-L134 HydrophobicContact CB-CB 4.35Å; A105-L134 VanDerWaalsContact CB-N 3.29Å; A105-I137 HydrophobicContact CB-CD1 3.3Å; A105-I137 HydrophobicContact CB-CG1 4.26Å; A105-R167 HydrophobicContact CB-CG 4.32Å; A105-R167 CarbonylContact O-C 3.55Å; A105-R167 WeakPolarHBondContact O-CA 3.39Å; A105-R167 VanDerWaalsContact O-CB 3.31Å; A105-R167 WeakPolarHBondContact O-CB 2.9Å; A105-V168 PolarHBondContact O-N 3.4Å; A105-L206 HydrophobicContact CB-CD1 4.14Å |
| 106 | Q | 92.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -126.6 | 145.5 | 172.3 | 57.6 | 173.4 | -47.6 | 0 | 0 | 111.7 | S100 R101 S104 R108 V168 L206 F207 | S100-Q106 CarbonylContact C-O 3.52Å; R101-Q106 WeakPolarHBondContact CA-O 3.45Å; R101-Q106 PolarHBondContact N-O 3.05Å; S104-Q106 PolarHBondContact O-N 2.94Å; S104-Q106 VanDerWaalsContact O-N 3.16Å; S104-Q106 VanDerWaalsContact OG-CG 3.26Å; S104-Q106 WeakPolarHBondContact OG-CG 3.42Å; Q106-R108 HydrophobicContact CG-CB 4.34Å; Q106-R108 PolarHBondContact O-N 3.11Å; Q106-V168 WeakPolarHBondContact CA-O 3.39Å; Q106-V168 HydrophobicContact CB-CG2 3.89Å; Q106-L206 HydrophobicContact CB-CD1 3.92Å; Q106-L206 HydrophobicContact CB-CD2 4.08Å; Q106-L206 HydrophobicContact CB-CG 4.03Å; Q106-L206 HydrophobicContact CG-CD1 4.19Å; Q106-L206 HydrophobicContact CG-CD2 4.47Å; Q106-L206 HydrophobicContact CG-CG 4.04Å; Q106-L206 PolarHBondContact NE2-O 3.05Å; Q106-F207 VanDerWaalsContact NE2-CD2 3.33Å |
| 107 | N | 91.4 | Very high | 94.3 | Very high | 56 Ų | 56 | 26.9 Ų | 26.9 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | trans | -80.9 | 114.1 | 164.5 | -60.7 | -76.5 | 0 | 0 | 0 | 107.9 | V168 T170 | N107-V168 PolarHBondContact N-O 2.94Å; N107-V168 PolarHBondContact ND2-O 3.29Å; N107-V168 VanDerWaalsContact ND2-O 3.1Å; N107-T170 WeakPolarHBondContact O-CA 3.49Å; N107-T170 WeakPolarHBondContact O-CB 3.15Å; N107-T170 PolarHBondContact O-N 3.35Å; N107-T170 PolarHBondContact O-OG1 3Å | ||
| 108 | R | 93.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 2% | 0.023 | 13% | 0.134 | C | C | . | . | trans | -156.3 | 87.4 | 178.5 | -179.7 | -178.1 | -178.7 | 107.3 | -3.5 | 108.4 | D99 S100 Q106 R110 T170 I171 G229 G231 | D99-R108 PolarHBondContact OD1-N 3.01Å; S100-R108 WeakPolarHBondContact CB-O 3.49Å; S100-R108 PolarHBondContact N-O 3.26Å; S100-R108 PolarHBondContact OG-O 2.82Å; Q106-R108 HydrophobicContact CG-CB 4.34Å; Q106-R108 PolarHBondContact O-N 3.11Å; R108-R110 HydrophobicContact CG-CG 4.46Å; R108-T170 HydrophobicContact CB-CG2 4.21Å; R108-T170 HydrophobicContact CG-CG2 4Å; R108-I171 PolarHBondContact NH1-O 3.41Å; R108-I171 VanDerWaalsContact NH1-O 3.13Å; R108-G229 PolarHBondContact NH1-O 3.16Å; R108-G229 PolarHBondContact NH2-O 3.02Å; R108-G231 PolarHBondContact NH2-O 3.22Å | ||
| 109 | A | 94 | Very high | 94.2 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 26% | 0.256 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | A77 L97 Y98 D99 | A77-A109 HydrophobicContact CB-CB 3.75Å; A77-A109 WeakPolarHBondContact CB-O 3.36Å; A77-A109 PolarHBondContact N-O 3.41Å; L97-A109 HydrophobicContact CD1-CB 4.19Å; Y98-A109 CarbonylContact O-C 3.59Å; Y98-A109 WeakPolarHBondContact O-CA 3.34Å; D99-A109 HydrophobicContact CB-CB 4.31Å |
| 110 | R | 95.6 | Very high | 94.3 | Very high | 29 Ų | 29 | 28 Ų | 28 | 11% | 0.109 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.1 | 179.7 | -65.7 | -56.8 | -170.3 | -100 | 4.6 | 111.4 | E74 N75 Y98 R108 F112 | E74-R110 HydrophobicContact CG-CB 4.28Å; E74-R110 WeakPolarHBondContact OE1-CD 3.41Å; E74-R110 WeakPolarHBondContact OE1-CG 3.07Å; E74-R110 IonicContact OE1-NE 3.96Å; E74-R110 PolarHBondContact OE1-NE 3.46Å; N75-R110 WeakPolarHBondContact O-CD 3.43Å; Y98-R110 PolarHBondContact N-O 3.08Å; Y98-R110 PolarHBondContact O-N 3.32Å; R108-R110 HydrophobicContact CG-CG 4.46Å; R110-F112 HydrophobicContact CB-CD2 4.29Å; R110-F112 HydrophobicContact CB-CE2 3.68Å; R110-F112 HydrophobicContact CB-CZ 4.28Å |
| 111 | Y | 96.7 | Very high | 93.9 | Very high | 41 Ų | 41 | 34.7 Ų | 34.7 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137 | 170.4 | -72.6 | -46.2 | 0 | 0 | 0 | 109.9 | E74 N75 A77 M79 K84 P95 L97 W113 | E74-Y111 WeakPolarHBondContact CA-O 3.36Å; N75-Y111 PolarHBondContact N-O 3.31Å; N75-Y111 PolarHBondContact O-N 3.18Å; A77-Y111 HydrophobicContact CB-CD2 4.33Å; A77-Y111 HydrophobicContact CB-CE2 4.16Å; A77-Y111 WeakPolarHBondContact O-CE2 3.45Å; M79-Y111 HydrophobicContact CE-CD2 4.24Å; M79-Y111 HydrophobicContact CG-CD2 4.35Å; M79-Y111 HydrophobicContact CG-CE2 4.29Å; M79-Y111 HydrophobicContact SD-CD2 4.3Å; K84-Y111 HydrophobicContact CD-CD2 4.46Å; K84-Y111 HydrophobicContact CD-CE2 3.83Å; K84-Y111 HydrophobicContact CG-CE2 4.4Å; P95-Y111 HydrophobicContact CB-CD1 3.72Å; P95-Y111 HydrophobicContact CB-CG 3.85Å; P95-Y111 HydrophobicContact CG-CD1 3.43Å; P95-Y111 VanDerWaalsContact CG-CD1 3.43Å; P95-Y111 HydrophobicContact CG-CD2 4.37Å; P95-Y111 HydrophobicContact CG-CE1 3.96Å; P95-Y111 HydrophobicContact CG-CG 3.68Å; L97-Y111 HydrophobicContact CB-CD1 4.24Å; L97-Y111 HydrophobicContact CB-CE1 4.14Å; L97-Y111 HydrophobicContact CD1-CD1 3.95Å; L97-Y111 HydrophobicContact CD1-CE1 3.79Å; L97-Y111 HydrophobicContact CG-CE1 4.43Å; Y111-W113 HydrophobicContact CD2-CH2 4.05Å; Y111-W113 HydrophobicContact CG-CH2 4.03Å; Y111-W113 HydrophobicContact CG-CZ3 4.47Å |
| 112 | F | 97.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 2% | 0.022 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 121.1 | 174.6 | -69.8 | -91.8 | 0 | 0 | 0 | 109.4 | L72 F73 E74 P95 A96 Y98 R110 M119 V236 I240 | L72-F112 HydrophobicContact CD1-CB 4.25Å; L72-F112 HydrophobicContact CD1-CD1 4.08Å; L72-F112 HydrophobicContact CD2-CD1 4.07Å; L72-F112 HydrophobicContact CD2-CE1 4.38Å; L72-F112 HydrophobicContact CG-CD1 4.12Å; F73-F112 CarbonylContact O-C 3.34Å; F73-F112 WeakPolarHBondContact O-CA 3.49Å; E74-F112 HydrophobicContact CB-CD1 3.82Å; E74-F112 HydrophobicContact CB-CE1 3.67Å; E74-F112 HydrophobicContact CB-CZ 4.37Å; E74-F112 HydrophobicContact CG-CD1 3.93Å; E74-F112 HydrophobicContact CG-CE1 3.45Å; E74-F112 VanDerWaalsContact CG-CE1 3.45Å; E74-F112 HydrophobicContact CG-CE2 4.24Å; E74-F112 HydrophobicContact CG-CZ 3.63Å; P95-F112 CarbonylContact C-O 3.53Å; P95-F112 WeakPolarHBondContact CA-O 3.43Å; A96-F112 PolarHBondContact N-O 2.87Å; A96-F112 PolarHBondContact O-N 3.03Å; Y98-F112 HydrophobicContact CD2-CB 4.45Å; Y98-F112 AromaticContact CD2-CD2 3.66Å; Y98-F112 HydrophobicContact CD2-CD2 3.66Å; Y98-F112 HydrophobicContact CD2-CE2 4.31Å; Y98-F112 HydrophobicContact CD2-CG 4.35Å; Y98-F112 HydrophobicContact CG-CD2 4.09Å; Y98-F112 HydrophobicContact CG-CE2 4.29Å; R110-F112 HydrophobicContact CB-CD2 4.29Å; R110-F112 HydrophobicContact CB-CE2 3.68Å; R110-F112 HydrophobicContact CB-CZ 4.28Å; F112-M119 HydrophobicContact CB-CE 3.62Å; F112-M119 WeakPolarHBondContact O-CE 3.13Å; F112-V236 HydrophobicContact CE2-CG1 3.84Å; F112-V236 HydrophobicContact CZ-CG1 3.91Å; F112-I240 HydrophobicContact CB-CD1 4.32Å; F112-I240 HydrophobicContact CD1-CD1 3.66Å; F112-I240 HydrophobicContact CD2-CD1 3.85Å; F112-I240 HydrophobicContact CE1-CD1 3.8Å; F112-I240 HydrophobicContact CE2-CD1 3.98Å; F112-I240 HydrophobicContact CG-CD1 3.67Å; F112-I240 HydrophobicContact CZ-CD1 3.95Å |
| 113 | W | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 144.9 | 168.2 | -64.2 | -102.2 | 0 | 0 | 0 | 108.7 | W71 L72 F73 N75 M79 K84 I87 D88 L91 R93 P95 Y111 | W71-W113 HydrophobicContact CH2-CB 4.03Å; W71-W113 HydrophobicContact CZ3-CB 3.86Å; L72-W113 CarbonylContact C-O 3.42Å; L72-W113 WeakPolarHBondContact CA-O 3.41Å; F73-W113 HydrophobicContact CB-CB 4.36Å; F73-W113 HydrophobicContact CD1-CD2 4.38Å; F73-W113 AromaticContact CD1-CE3 3.7Å; F73-W113 HydrophobicContact CD1-CE3 3.7Å; F73-W113 HydrophobicContact CD1-CZ3 4.17Å; F73-W113 HydrophobicContact CE1-CE3 4.32Å; F73-W113 HydrophobicContact CE1-CZ3 4.35Å; F73-W113 PolarHBondContact N-O 3.43Å; F73-W113 PolarHBondContact O-N 3.47Å; N75-W113 HydrophobicContact CB-CZ3 4Å; M79-W113 HydrophobicContact CE-CH2 3.78Å; M79-W113 HydrophobicContact CE-CZ3 4.38Å; M79-W113 HydrophobicContact SD-CH2 4.19Å; K84-W113 HydrophobicContact CG-CZ2 4.2Å; I87-W113 HydrophobicContact CB-CZ2 4.07Å; I87-W113 HydrophobicContact CD1-CH2 4.31Å; I87-W113 HydrophobicContact CG2-CD2 3.81Å; I87-W113 VanDerWaalsContact CG2-CE2 3.47Å; I87-W113 HydrophobicContact CG2-CE3 4.17Å; I87-W113 HydrophobicContact CG2-CG 4.39Å; I87-W113 HydrophobicContact CG2-CH2 3.97Å; I87-W113 HydrophobicContact CG2-CZ2 3.58Å; I87-W113 HydrophobicContact CG2-CZ3 4.24Å; D88-W113 WeakPolarHBondContact OD1-CZ2 3.39Å; D88-W113 PolarHBondContact OD1-NE1 3.35Å; L91-W113 HydrophobicContact CD1-CB 3.42Å; L91-W113 VanDerWaalsContact CD1-CB 3.42Å; L91-W113 HydrophobicContact CD1-CD2 4.06Å; L91-W113 HydrophobicContact CD1-CG 3.5Å; L91-W113 VanDerWaalsContact CD1-CG 3.5Å; R93-W113 PolarHBondContact O-NE1 2.79Å; P95-W113 HydrophobicContact CB-CD2 3.73Å; P95-W113 VanDerWaalsContact CB-CE2 3.46Å; P95-W113 HydrophobicContact CB-CE3 4.19Å; P95-W113 HydrophobicContact CB-CG 4.19Å; P95-W113 HydrophobicContact CB-CH2 4.17Å; P95-W113 HydrophobicContact CB-CZ2 3.71Å; P95-W113 HydrophobicContact CB-CZ3 4.39Å; P95-W113 HydrophobicContact CG-CH2 4.34Å; P95-W113 HydrophobicContact CG-CZ2 3.69Å; Y111-W113 HydrophobicContact CD2-CH2 4.05Å; Y111-W113 HydrophobicContact CG-CH2 4.03Å; Y111-W113 HydrophobicContact CG-CZ3 4.47Å |
| 114 | G | 98.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -172.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | W71 R93 Y120 | W71-G114 WeakPolarHBondContact O-CA 3.38Å; R93-G114 VanDerWaalsContact CD-O 3.27Å; R93-G114 WeakPolarHBondContact CD-O 3.27Å; R93-G114 PolarHBondContact NH1-O 2.81Å; G114-Y120 PolarHBondContact N-OH 2.7Å; G114-Y120 PolarHBondContact O-OH 3.44Å |
| 115 | N | 97.7 | Very high | 87.7 | Confident | 50 Ų | 50 | 46.2 Ų | 46.2 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | trans | -123.4 | 17.5 | 174.6 | 68.9 | -10.9 | 0 | 0 | 0 | 112.6 | L69 F70 W71 | L69-N115 PolarHBondContact O-ND2 3.37Å; F70-N115 VanDerWaalsContact CA-OD1 3.31Å; F70-N115 WeakPolarHBondContact CA-OD1 3.27Å; W71-N115 VanDerWaalsContact CD1-CG 3.48Å; W71-N115 PolarHBondContact N-OD1 3.01Å; W71-N115 PolarHBondContact O-N 3.3Å; W71-N115 PolarHBondContact O-OD1 2.98Å | ||
| 116 | I | 97.3 | Very high | 86.7 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | trans | -63 | 126.8 | 176.7 | -49.5 | -58.4 | 0 | 0 | 0 | 109.1 | L15 F70 L72 G118 M119 I240 L244 | L15-I116 HydrophobicContact CD1-CD1 4.18Å; F70-I116 HydrophobicContact CB-CD1 3.82Å; F70-I116 HydrophobicContact CD1-CD1 4.29Å; F70-I116 HydrophobicContact CG-CD1 4.37Å; L72-I116 HydrophobicContact CB-CG1 4.47Å; L72-I116 HydrophobicContact CD1-CG1 4.13Å; I116-G118 PolarHBondContact O-N 3.23Å; I116-M119 HydrophobicContact CB-CB 4.36Å; I116-M119 HydrophobicContact CB-SD 4.05Å; I116-M119 HydrophobicContact CG1-SD 4.36Å; I116-M119 WeakPolarHBondContact O-CB 3.29Å; I116-M119 VanDerWaalsContact O-CG 3.27Å; I116-M119 WeakPolarHBondContact O-CG 3.12Å; I116-M119 PolarHBondContact O-N 3.36Å; I116-I240 HydrophobicContact CB-CG2 4.27Å; I116-I240 HydrophobicContact CG1-CG2 4.27Å; I116-I240 HydrophobicContact CG2-CG2 4.33Å; I116-I240 WeakPolarHBondContact CG2-O 3.47Å; I116-L244 HydrophobicContact CD1-CD1 4.14Å; I116-L244 HydrophobicContact CD1-CD2 4.06Å; I116-L244 HydrophobicContact CD1-CG 4.44Å; I116-L244 HydrophobicContact CG2-CD2 4.18Å; I116-L244 HydrophobicContact CG2-CG 4.26Å | ||
| 117 | P | 95.9 | Very high | 85.8 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 29% | 0.292 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 135.7 | -176.4 | -29 | 36 | 0 | 0 | 0 | 112.4 | F70 M119 P243 F247 | F70-P117 HydrophobicContact CE1-CG 4.14Å; P117-M119 PolarHBondContact O-N 3.38Å; P117-M119 VanDerWaalsContact O-N 3.14Å; P117-P243 HydrophobicContact CB-CB 4.06Å; P117-P243 WeakPolarHBondContact O-CG 3.48Å; P117-F247 HydrophobicContact CG-CE2 3.91Å; P117-F247 HydrophobicContact CG-CZ 4.08Å |
| 118 | G | 93.5 | Very high | 85 | Confident | 41 Ų | 41 | 50.5 Ų | 50.5 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -4.9 | 176 | 0 | 0 | 0 | 0 | 0 | 116.4 | I116 Y120 Q121 | I116-G118 PolarHBondContact O-N 3.23Å; G118-Y120 PolarHBondContact O-N 3Å; G118-Q121 WeakPolarHBondContact O-CB 3.46Å; G118-Q121 PolarHBondContact O-N 2.96Å |
| 119 | M | 94.6 | Very high | 84 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -61.7 | -21.3 | -174.9 | 74.1 | 178.5 | -74.3 | 0 | 0 | 114.3 | L72 A96 Y98 F112 I116 P117 Q121 I240 | L72-M119 HydrophobicContact CD1-CE 3.57Å; L72-M119 HydrophobicContact CD1-SD 4.08Å; A96-M119 HydrophobicContact CB-CE 4.28Å; A96-M119 WeakPolarHBondContact CB-O 3.37Å; Y98-M119 WeakPolarHBondContact CE2-O 3.34Å; Y98-M119 WeakPolarHBondContact OH-CA 3.35Å; Y98-M119 PolarHBondContact OH-O 2.6Å; F112-M119 HydrophobicContact CB-CE 3.62Å; F112-M119 WeakPolarHBondContact O-CE 3.13Å; I116-M119 HydrophobicContact CB-CB 4.36Å; I116-M119 HydrophobicContact CB-SD 4.05Å; I116-M119 HydrophobicContact CG1-SD 4.36Å; I116-M119 WeakPolarHBondContact O-CB 3.29Å; I116-M119 VanDerWaalsContact O-CG 3.27Å; I116-M119 WeakPolarHBondContact O-CG 3.12Å; I116-M119 PolarHBondContact O-N 3.36Å; P117-M119 PolarHBondContact O-N 3.38Å; P117-M119 VanDerWaalsContact O-N 3.14Å; M119-Q121 VanDerWaalsContact C-N 3.32Å; M119-I240 HydrophobicContact CB-CG2 4.18Å |
| 120 | Y | 93.6 | Very high | 83.4 | Confident | 100 Ų | 100 | 61.8 Ų | 61.8 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -86.3 | 0.1 | 177.4 | -66 | -81.8 | 0 | 0 | 0 | 113.8 | R93 P94 A96 G114 G118 | R93-Y120 WeakPolarHBondContact CD-OH 3.46Å; P94-Y120 VanDerWaalsContact O-CE1 3.27Å; P94-Y120 WeakPolarHBondContact O-CE1 3.32Å; P94-Y120 PolarHBondContact O-OH 2.91Å; A96-Y120 HydrophobicContact CB-CD1 3.8Å; A96-Y120 HydrophobicContact CB-CE1 3.99Å; A96-Y120 HydrophobicContact CB-CG 4.45Å; G114-Y120 PolarHBondContact N-OH 2.7Å; G114-Y120 PolarHBondContact O-OH 3.44Å; G118-Y120 PolarHBondContact O-N 3Å |
| 121 | Q | 84.4 | Confident | 82.8 | Confident | 143 Ų | 143 | 60.8 Ų | 60.8 | 67% | 0.668 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -103.4 | -2.7 | -178 | -57.9 | 176.5 | 2.5 | 0 | 0 | 113.4 | G118 M119 N123 K124 | G118-Q121 WeakPolarHBondContact O-CB 3.46Å; G118-Q121 PolarHBondContact O-N 2.96Å; M119-Q121 VanDerWaalsContact C-N 3.32Å; Q121-N123 VanDerWaalsContact C-N 3.26Å; Q121-N123 PolarHBondContact O-N 3.18Å; Q121-K124 PolarHBondContact O-N 3.25Å |
| 122 | A | 62 | Low | 82.5 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 12% | 0.116 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -62.5 | -20.5 | -161.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y98 K124 A125 | Y98-A122 HydrophobicContact CD1-CB 4.12Å; Y98-A122 HydrophobicContact CE1-CB 3.17Å; Y98-A122 HydrophobicContact CE2-CB 4.17Å; Y98-A122 WeakPolarHBondContact OH-CB 3.4Å; A122-K124 PolarHBondContact O-N 3.07Å; A122-A125 PolarHBondContact O-N 3.05Å |
| 123 | N | 56.1 | Low | 82 | Confident | 141 Ų | 141 | 63.2 Ų | 63.2 | 75% | 0.754 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -60.2 | -14.1 | 177 | -68.3 | -13.5 | 0 | 0 | 0 | 113.2 | Q121 | Q121-N123 VanDerWaalsContact C-N 3.26Å; Q121-N123 PolarHBondContact O-N 3.18Å |
| 124 | K | 58 | Low | 81.7 | Confident | 194 Ų | 194 | 63.2 Ų | 63.2 | 84% | 0.843 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -90.9 | -23.2 | -179.9 | -62.6 | -173.7 | 179.4 | -177.4 | 0 | 114.6 | Q121 A122 | Q121-K124 PolarHBondContact O-N 3.25Å; A122-K124 PolarHBondContact O-N 3.07Å |
| 125 | A | 59.8 | Low | 81.4 | Confident | 69 Ų | 69 | 66.7 Ų | 66.7 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -22 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A122 | A122-A125 PolarHBondContact O-N 3.05Š|
| 126 | V | 70.1 | Confident | 81 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 24% | 0.236 | 39% | 0.386 | C | S | . | . | trans | -128.9 | 112.5 | -169.8 | -169.8 | 0 | 0 | 0 | 0 | 111 | F102 F103 | F102-V126 HydrophobicContact CB-CB 4.46Å; F102-V126 HydrophobicContact CB-CG1 4.09Å; F102-V126 WeakPolarHBondContact O-CG1 3.39Å; F103-V126 HydrophobicContact CD1-CG1 4.43Å; F103-V126 HydrophobicContact CE1-CB 4.33Å; F103-V126 HydrophobicContact CE1-CG1 4.29Å; F103-V126 HydrophobicContact CE1-CG2 3.67Å; F103-V126 HydrophobicContact CZ-CB 4.21Å; F103-V126 HydrophobicContact CZ-CG1 4.46Å; F103-V126 HydrophobicContact CZ-CG2 3.78Å | ||
| 127 | T | 73.4 | Confident | 80.8 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | trans | -89.5 | 141.3 | 179.8 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | A129 K130 | T127-A129 PolarHBondContact O-N 3.48Å; T127-A129 VanDerWaalsContact O-N 3.12Å; T127-K130 PolarHBondContact O-N 3.15Å; T127-K130 VanDerWaalsContact O-N 3.13Å | ||
| 128 | L | 74.7 | Confident | 80.8 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 15% | 0.147 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -60.5 | -24.1 | 179.8 | -165 | 69.1 | 0 | 0 | 0 | 113.2 | R101 F102 K130 A131 Q164 | R101-L128 HydrophobicContact CB-CD1 4.47Å; R101-L128 HydrophobicContact CG-CD1 4.08Å; R101-L128 WeakPolarHBondContact O-CD1 3.47Å; F102-L128 HydrophobicContact CD1-CB 4.04Å; F102-L128 HydrophobicContact CD1-CD1 3.81Å; F102-L128 HydrophobicContact CE1-CB 4.13Å; F102-L128 HydrophobicContact CE1-CD1 4.11Å; L128-K130 PolarHBondContact O-N 3.09Å; L128-A131 WeakPolarHBondContact O-CB 3.33Å; L128-A131 PolarHBondContact O-N 3.02Å; L128-Q164 HydrophobicContact CD2-CB 4.15Å; L128-Q164 HydrophobicContact CD2-CG 3.66Å |
| 129 | A | 73.5 | Confident | 80.8 | Confident | 88 Ų | 88 | 67.5 Ų | 67.5 | 73% | 0.727 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -66 | -24.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T127 | T127-A129 PolarHBondContact O-N 3.48Å; T127-A129 VanDerWaalsContact O-N 3.12Å |
| 130 | K | 79.7 | Confident | 80.7 | Confident | 185 Ų | 185 | 71.3 Ų | 71.3 | 80% | 0.804 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -99.8 | -2.5 | 178.3 | -64.4 | -175.5 | 177.9 | -177.6 | 0 | 113.1 | T127 L128 | T127-K130 PolarHBondContact O-N 3.15Å; T127-K130 VanDerWaalsContact O-N 3.13Å; L128-K130 PolarHBondContact O-N 3.09Å |
| 131 | A | 84.5 | Confident | 80.6 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 7% | 0.074 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -78 | 136.9 | -178 | 0 | 0 | 0 | 0 | 0 | 110.3 | R101 F102 L128 | R101-A131 WeakPolarHBondContact O-CB 3.5Å; F102-A131 WeakPolarHBondContact O-CB 3.36Å; L128-A131 WeakPolarHBondContact O-CB 3.33Å; L128-A131 PolarHBondContact O-N 3.02Å |
| 132 | P | 88.8 | Confident | 81 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 31% | 0.312 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 144.7 | 177.4 | -25.9 | 33.5 | 0 | 0 | 0 | 112.9 | A105 D136 | A105-P132 WeakPolarHBondContact CA-O 3.36Å; A105-P132 WeakPolarHBondContact CB-O 3.41Å; A105-P132 PolarHBondContact N-O 3.11Å; P132-D136 WeakPolarHBondContact CA-OD2 3.46Å; P132-D136 HydrophobicContact CB-CB 4.41Å |
| 133 | I | 89.1 | Confident | 82.4 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 25% | 0.246 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -99.7 | 167 | 169.5 | 60.9 | 163.9 | 0 | 0 | 0 | 110.4 | D135 D136 I137 A166 | I133-D135 VanDerWaalsContact C-N 3.27Å; I133-D135 HydrophobicContact CD1-CB 4.2Å; I133-D135 HydrophobicContact CG1-CB 4.48Å; I133-D135 PolarHBondContact O-N 3.18Å; I133-D136 VanDerWaalsContact CG1-OD2 3.25Å; I133-D136 WeakPolarHBondContact CG1-OD2 3.08Å; I133-D136 PolarHBondContact N-OD2 3.31Å; I133-D136 WeakPolarHBondContact O-CB 3.2Å; I133-D136 PolarHBondContact O-N 3.23Å; I133-D136 VanDerWaalsContact O-N 3.1Å; I133-I137 WeakPolarHBondContact O-CG1 3.5Å; I133-A166 HydrophobicContact CB-CB 4.07Å; I133-A166 HydrophobicContact CG2-CB 4.17Å |
| 134 | L | 91.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -58.5 | -39.6 | -173.3 | -174.3 | 59.3 | 0 | 0 | 0 | 112.7 | A105 D136 I137 L138 V148 A166 V168 P188 V189 L198 | A105-L134 HydrophobicContact CB-CB 4.35Å; A105-L134 VanDerWaalsContact CB-N 3.29Å; L134-D136 PolarHBondContact O-N 3.25Å; L134-I137 WeakPolarHBondContact O-CB 3.4Å; L134-I137 PolarHBondContact O-N 3.32Å; L134-L138 HydrophobicContact CD1-CD2 4.35Å; L134-L138 HydrophobicContact CG-CD2 4.27Å; L134-L138 WeakPolarHBondContact O-CG 3.44Å; L134-L138 PolarHBondContact O-N 2.93Å; L134-V148 HydrophobicContact CD2-CB 4.43Å; L134-V148 HydrophobicContact CD2-CG2 3.62Å; L134-A166 PolarHBondContact N-O 3Å; L134-V168 HydrophobicContact CD1-CG1 3.97Å; L134-V168 HydrophobicContact CD2-CG1 3.75Å; L134-V168 HydrophobicContact CG-CG1 4.49Å; L134-P188 HydrophobicContact CD2-CB 4.08Å; L134-V189 HydrophobicContact CD2-CG2 4.44Å; L134-L198 HydrophobicContact CD1-CD2 4.01Å |
| 135 | D | 91.1 | Very high | 85.9 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -58.6 | -32.9 | 178.9 | -68.3 | -66.7 | 0 | 0 | 0 | 113 | I133 I137 L138 S146 | I133-D135 VanDerWaalsContact C-N 3.27Å; I133-D135 HydrophobicContact CD1-CB 4.2Å; I133-D135 HydrophobicContact CG1-CB 4.48Å; I133-D135 PolarHBondContact O-N 3.18Å; D135-I137 PolarHBondContact O-N 2.95Å; D135-I137 VanDerWaalsContact O-N 3.14Å; D135-L138 PolarHBondContact O-N 3.21Å; D135-S146 VanDerWaalsContact CG-CB 3.43Å; D135-S146 WeakPolarHBondContact OD1-CB 3.3Å; D135-S146 PolarHBondContact OD1-N 3.04Å; D135-S146 VanDerWaalsContact OD2-CB 3.25Å; D135-S146 WeakPolarHBondContact OD2-CB 3.29Å |
| 136 | D | 90.7 | Very high | 87.3 | Confident | 110 Ų | 110 | 60.2 Ų | 60.2 | 59% | 0.588 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -66.9 | -15.3 | 179 | -54.8 | -32.8 | 0 | 0 | 0 | 112.8 | P132 I133 L134 | P132-D136 WeakPolarHBondContact CA-OD2 3.46Å; P132-D136 HydrophobicContact CB-CB 4.41Å; I133-D136 VanDerWaalsContact CG1-OD2 3.25Å; I133-D136 WeakPolarHBondContact CG1-OD2 3.08Å; I133-D136 PolarHBondContact N-OD2 3.31Å; I133-D136 WeakPolarHBondContact O-CB 3.2Å; I133-D136 PolarHBondContact O-N 3.23Å; I133-D136 VanDerWaalsContact O-N 3.1Å; L134-D136 PolarHBondContact O-N 3.25Å |
| 137 | I | 92.6 | Very high | 88.1 | Confident | 11 Ų | 11 | 62.4 Ų | 62.4 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -21.1 | -170.7 | -43.9 | -172.3 | 0 | 0 | 0 | 111.1 | A105 I133 L134 D135 E202 R205 L206 | A105-I137 HydrophobicContact CB-CD1 3.3Å; A105-I137 HydrophobicContact CB-CG1 4.26Å; I133-I137 WeakPolarHBondContact O-CG1 3.5Å; L134-I137 WeakPolarHBondContact O-CB 3.4Å; L134-I137 PolarHBondContact O-N 3.32Å; D135-I137 PolarHBondContact O-N 2.95Å; D135-I137 VanDerWaalsContact O-N 3.14Å; I137-E202 WeakPolarHBondContact CG2-O 3.41Å; I137-R205 HydrophobicContact CG2-CB 3.38Å; I137-R205 WeakPolarHBondContact O-CD 3.48Å; I137-R205 PolarHBondContact O-NH1 2.99Å; I137-L206 HydrophobicContact CD1-CD1 3.48Å; I137-L206 VanDerWaalsContact CD1-CD1 3.48Å; I137-L206 HydrophobicContact CG2-CB 4.15Å |
| 138 | L | 94.6 | Very high | 87.9 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -65.6 | 153.6 | -179.8 | -59.4 | -174.6 | 0 | 0 | 0 | 111.1 | L134 D135 P140 R144 K145 V189 L198 E202 | L134-L138 HydrophobicContact CD1-CD2 4.35Å; L134-L138 HydrophobicContact CG-CD2 4.27Å; L134-L138 WeakPolarHBondContact O-CG 3.44Å; L134-L138 PolarHBondContact O-N 2.93Å; D135-L138 PolarHBondContact O-N 3.21Å; L138-P140 WeakPolarHBondContact O-CD 3.26Å; L138-R144 HydrophobicContact CB-CB 4.37Å; L138-R144 HydrophobicContact CD1-CB 4.31Å; L138-K145 VanDerWaalsContact CD1-C 3.47Å; L138-V189 HydrophobicContact CD1-CG1 4.01Å; L138-V189 HydrophobicContact CD1-CG2 4.25Å; L138-V189 HydrophobicContact CD2-CG1 4.32Å; L138-V189 HydrophobicContact CD2-CG2 3.58Å; L138-L198 HydrophobicContact CD2-CD2 3.75Å; L138-E202 WeakPolarHBondContact CA-OE1 3.41Å |
| 139 | T | 94.9 | Very high | 87.2 | Confident | 23 Ų | 23 | 69 Ų | 69 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -68 | 121.5 | 179.1 | -56.2 | 0 | 0 | 0 | 0 | 109.7 | W199 E202 R205 | T139-W199 HydrophobicContact CG2-CZ3 4.1Å; T139-E202 PolarHBondContact N-OE1 2.91Å; T139-E202 WeakPolarHBondContact OG1-CG 3.41Å; T139-E202 PolarHBondContact OG1-OE1 2.8Å; T139-R205 PolarHBondContact OG1-NH1 3.15Å |
| 140 | P | 92 | Very high | 86.1 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 156.5 | -177.1 | 29.1 | -35.4 | 0 | 0 | 0 | 110.6 | L138 C142 | L138-P140 WeakPolarHBondContact O-CD 3.26Å; P140-C142 PolarHBondContact O-N 2.8Å; P140-C142 VanDerWaalsContact O-N 3.11Å |
| 141 | N | 91.4 | Very high | 84.5 | Confident | 172 Ų | 172 | 66.4 Ų | 66.4 | 92% | 0.92 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 18.5 | 174.3 | -51.9 | -30 | 0 | 0 | 0 | 115.6 | ||
| 142 | C | 92.4 | Very high | 82.5 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 26% | 0.264 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -110 | 15.7 | 176.9 | -64.1 | 0 | 0 | 0 | 0 | 113.5 | P140 R144 W199 | P140-C142 PolarHBondContact O-N 2.8Å; P140-C142 VanDerWaalsContact O-N 3.11Å; C142-R144 HydrophobicContact CB-CG 3.8Å; C142-R144 WeakPolarHBondContact O-CG 3.4Å; C142-R144 PolarHBondContact O-N 3.18Å; C142-R144 VanDerWaalsContact O-N 3.13Å; C142-W199 HydrophobicContact CB-CH2 4.07Å; C142-W199 HydrophobicContact CB-CZ3 4.38Å |
| 143 | G | 91.7 | Very high | 80.4 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 65.8 | 15.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D192 | G143-D192 PolarHBondContact O-N 3.29Š|
| 144 | R | 94.7 | Very high | 78.2 | Confident | 18 Ų | 18 | 78.8 Ų | 78.8 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.2 | -174.6 | -58.9 | -179.8 | 67.1 | 73.8 | -6.6 | 111.2 | L138 C142 V189 E190 M191 D196 I197 W199 E202 | L138-R144 HydrophobicContact CB-CB 4.37Å; L138-R144 HydrophobicContact CD1-CB 4.31Å; C142-R144 HydrophobicContact CB-CG 3.8Å; C142-R144 WeakPolarHBondContact O-CG 3.4Å; C142-R144 PolarHBondContact O-N 3.18Å; C142-R144 VanDerWaalsContact O-N 3.13Å; R144-V189 HydrophobicContact CB-CG1 4.16Å; R144-E190 CarbonylContact C-O 3.56Å; R144-E190 VanDerWaalsContact CA-O 3.29Å; R144-E190 WeakPolarHBondContact CA-O 3.39Å; R144-M191 HydrophobicContact CG-CB 4.26Å; R144-M191 HydrophobicContact CG-CG 4.13Å; R144-M191 HydrophobicContact CG-SD 4.33Å; R144-D196 IonicContact CZ-OD2 3.17Å; R144-D196 IonicContact NH1-OD2 2.98Å; R144-D196 PolarHBondContact NH1-OD2 3.46Å; R144-D196 IonicContact NH2-OD2 3.93Å; R144-I197 PolarHBondContact NH2-O 3.06Å; R144-W199 VanDerWaalsContact CZ-CE2 3.45Å; R144-W199 VanDerWaalsContact NH1-CE2 3.28Å; R144-W199 VanDerWaalsContact NH1-NE1 3.2Å; R144-E202 WeakPolarHBondContact CD-OE1 3.36Å; R144-E202 IonicContact CZ-OE1 2.82Å; R144-E202 IonicContact CZ-OE2 3.55Å; R144-E202 IonicContact NE-OE1 3.53Å; R144-E202 PolarHBondContact NE-OE1 3.13Å; R144-E202 IonicContact NE-OE2 3.95Å; R144-E202 PolarHBondContact NE-OE2 3.19Å; R144-E202 IonicContact NH2-OE1 3.44Å; R144-E202 IonicContact NH2-OE2 2.66Å; R144-E202 PolarHBondContact NH2-OE2 3.42Å |
| 145 | K | 92.2 | Very high | 76.1 | Confident | 142 Ų | 142 | 81.9 Ų | 81.9 | 62% | 0.617 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 144.9 | 179.8 | -63.9 | 178.6 | -176.5 | 173.6 | 0 | 111 | L138 K147 V189 E190 | L138-K145 VanDerWaalsContact CD1-C 3.47Å; K145-K147 PolarHBondContact O-N 3.47Å; K145-V189 WeakPolarHBondContact O-CA 3.27Å; K145-E190 PolarHBondContact N-O 3.44Å; K145-E190 PolarHBondContact O-N 2.89Å |
| 146 | S | 89.6 | Confident | 74.1 | Confident | 23 Ų | 23 | 84.4 Ų | 84.4 | 16% | 0.161 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 127.5 | 174 | 176.6 | 0 | 0 | 0 | 0 | 111 | D135 V148 | D135-S146 VanDerWaalsContact CG-CB 3.43Å; D135-S146 WeakPolarHBondContact OD1-CB 3.3Å; D135-S146 PolarHBondContact OD1-N 3.04Å; D135-S146 VanDerWaalsContact OD2-CB 3.25Å; D135-S146 WeakPolarHBondContact OD2-CB 3.29Å; S146-V148 VanDerWaalsContact C-N 3.34Å; S146-V148 PolarHBondContact OG-N 3.25Å; S146-V148 VanDerWaalsContact OG-N 3.12Å |
| 147 | K | 86.5 | Confident | 72.4 | Confident | 84 Ų | 84 | 88 Ų | 88 | 37% | 0.365 | 45% | 0.451 | S | S | . | . | trans | -87.1 | -8.2 | 165.7 | -62.1 | -169.9 | 75.5 | 128.3 | 0 | 112.6 | K145 R149 P188 V189 E190 | K145-K147 PolarHBondContact O-N 3.47Å; K147-R149 PolarHBondContact O-N 2.87Å; K147-P188 PolarHBondContact N-O 2.94Å; K147-V189 WeakPolarHBondContact CD-O 3.43Å; K147-E190 HydrophobicContact CD-CB 3.84Å; K147-E190 HydrophobicContact CD-CG 4.43Å; K147-E190 WeakPolarHBondContact CE-OE2 3.45Å; K147-E190 HydrophobicContact CG-CB 3.68Å; K147-E190 IonicContact NZ-OE2 2.72Å; K147-E190 PolarHBondContact NZ-OE2 3.14Å | ||
| 148 | V | 70.9 | Confident | 69.9 | Low | 26 Ų | 26 | 96.2 Ų | 96.2 | 16% | 0.158 | 48% | 0.482 | C | S | . | . | trans | -74.7 | 83.7 | -179.4 | -162.4 | 0 | 0 | 0 | 0 | 108 | L134 S146 L150 M165 V168 Q180 P188 | L134-V148 HydrophobicContact CD2-CB 4.43Å; L134-V148 HydrophobicContact CD2-CG2 3.62Å; S146-V148 VanDerWaalsContact C-N 3.34Å; S146-V148 PolarHBondContact OG-N 3.25Å; S146-V148 VanDerWaalsContact OG-N 3.12Å; V148-L150 PolarHBondContact O-N 2.95Å; V148-M165 WeakPolarHBondContact CG1-O 3.4Å; V148-V168 HydrophobicContact CG2-CG1 4.44Å; V148-Q180 HydrophobicContact CG2-CG 4.46Å; V148-P188 HydrophobicContact CG2-CB 3.71Å | ||
| 149 | R | 58.6 | Low | 67.6 | Low | 222 Ų | 222 | 100.2 Ų | 100.2 | 84% | 0.838 | 51% | 0.507 | S | S | * | . | trans | -62.7 | 133.6 | -175 | -80.6 | -173.8 | 174.7 | -161.3 | -0.6 | 110.9 | K147 K151 | K147-R149 PolarHBondContact O-N 2.87Å; R149-K151 PolarHBondContact O-N 3.48Å | ||
| 150 | L | 50.9 | Low | 65.2 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | trans | -49.1 | 110.4 | 157.8 | -67.2 | 162.5 | 0 | 0 | 0 | 108.1 | V148 I152 M162 P163 A166 | V148-L150 PolarHBondContact O-N 2.95Å; L150-I152 PolarHBondContact O-N 3.05Å; L150-M162 VanDerWaalsContact CD2-O 3.25Å; L150-M162 WeakPolarHBondContact CD2-O 3.48Å; L150-P163 VanDerWaalsContact CD2-CA 3.41Å; L150-P163 HydrophobicContact CD2-CB 4.42Å; L150-A166 HydrophobicContact CD2-CB 4.15Å; L150-A166 HydrophobicContact CG-CB 4.48Å | ||
| 151 | K | 45.1 | Very low | 62.8 | Low | 145 Ų | 145 | 106.8 Ų | 106.8 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | trans | -66.8 | 109.3 | 161.4 | -81.2 | -164.6 | -175 | 179.2 | 0 | 106.8 | R149 K153 M162 M165 | R149-K151 PolarHBondContact O-N 3.48Å; K151-K153 PolarHBondContact O-N 3.1Å; K151-M162 WeakPolarHBondContact O-CB 3.42Å; K151-M165 HydrophobicContact CB-CG 4.49Å; K151-M165 HydrophobicContact CB-SD 3.48Å; K151-M165 WeakPolarHBondContact CB-SD 3.33Å; K151-M165 HydrophobicContact CD-CE 4.02Å; K151-M165 HydrophobicContact CD-SD 3.43Å; K151-M165 WeakPolarHBondContact CD-SD 3.47Å; K151-M165 HydrophobicContact CG-CE 3.99Å; K151-M165 HydrophobicContact CG-SD 3.36Å; K151-M165 WeakPolarHBondContact CG-SD 3.4Å | ||
| 152 | I | 43.9 | Very low | 60.8 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 116.2 | 164.6 | -63.8 | 174 | 0 | 0 | 0 | 105.7 | L150 L154 V159 | L150-I152 PolarHBondContact O-N 3.05Å; I152-L154 HydrophobicContact CG2-CD1 3.98Å; I152-V159 HydrophobicContact CG2-CG1 3.6Å |
| 153 | K | 44.3 | Very low | 58.6 | Low | 137 Ų | 137 | 101.2 Ų | 101.2 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 107.3 | 166.7 | -154.4 | -179.2 | -175.6 | -172.5 | 0 | 105.6 | K151 C155 M162 | K151-K153 PolarHBondContact O-N 3.1Å; K153-C155 PolarHBondContact O-N 3.26Å; K153-M162 HydrophobicContact CB-CE 4.16Å; K153-M162 HydrophobicContact CD-CE 4.37Å |
| 154 | L | 42.5 | Very low | 56.6 | Low | 135 Ų | 135 | 104.2 Ų | 104.2 | 71% | 0.707 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 114.8 | 167.2 | -119.1 | 81.2 | 0 | 0 | 0 | 107 | I152 V159 | I152-L154 HydrophobicContact CG2-CD1 3.98Å; L154-V159 HydrophobicContact CD1-CG2 4.17Å |
| 155 | C | 46.8 | Very low | 54.6 | Low | 66 Ų | 66 | 107.1 Ų | 107.1 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 146.1 | 157.5 | -78.2 | 0 | 0 | 0 | 0 | 106.6 | K153 F157 Y158 | K153-C155 PolarHBondContact O-N 3.26Å; C155-F157 PolarHBondContact O-N 2.79Å; C155-Y158 PolarHBondContact N-O 2.86Å; C155-Y158 PolarHBondContact O-N 2.96Å; C155-Y158 VanDerWaalsContact O-O 3.14Å |
| 156 | S | 50.6 | Low | 53.7 | Low | 125 Ų | 125 | 100.5 Ų | 100.5 | 87% | 0.874 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -16.3 | -164 | -63 | 0 | 0 | 0 | 0 | 117.5 | ||
| 157 | F | 55 | Low | 53.5 | Low | 186 Ų | 186 | 99.8 Ų | 99.8 | 82% | 0.816 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.5 | -8.6 | -179.2 | -84 | -90.2 | 0 | 0 | 0 | 115.6 | C155 | C155-F157 PolarHBondContact O-N 2.79Š|
| 158 | Y | 39.1 | Very low | 53.7 | Low | 184 Ų | 184 | 95.8 Ų | 95.8 | 72% | 0.722 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 137.6 | -177.1 | -65.9 | -82.7 | 0 | 0 | 0 | 112.5 | C155 L160 | C155-Y158 PolarHBondContact N-O 2.86Å; C155-Y158 PolarHBondContact O-N 2.96Å; C155-Y158 VanDerWaalsContact O-O 3.14Å; Y158-L160 PolarHBondContact O-N 2.92Å |
| 159 | V | 46.3 | Very low | 54.6 | Low | 95 Ų | 95 | 98.1 Ų | 98.1 | 58% | 0.576 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 92.9 | 166.9 | -180 | 0 | 0 | 0 | 0 | 108.2 | I152 L154 K161 | I152-V159 HydrophobicContact CG2-CG1 3.6Å; L154-V159 HydrophobicContact CD1-CG2 4.17Å; V159-K161 PolarHBondContact O-N 2.86Å |
| 160 | L | 45.5 | Very low | 56.3 | Low | 94 Ų | 94 | 89.5 Ų | 89.5 | 49% | 0.492 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 99.9 | 169.1 | -82.8 | 160 | 0 | 0 | 0 | 108.7 | Y158 M162 | Y158-L160 PolarHBondContact O-N 2.92Å; L160-M162 HydrophobicContact CB-CE 4.44Å; L160-M162 PolarHBondContact O-N 2.79Å; L160-M162 VanDerWaalsContact O-N 3.11Å |
| 161 | K | 41.5 | Very low | 58.3 | Low | 150 Ų | 150 | 86 Ų | 86 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 115.8 | 161.5 | -80.2 | -174.3 | 179.1 | 178.7 | 0 | 106.8 | V159 P163 | V159-K161 PolarHBondContact O-N 2.86Å; K161-P163 VanDerWaalsContact C-CD 3.46Å; K161-P163 WeakPolarHBondContact O-CD 3.4Å |
| 162 | M | 48.3 | Very low | 60.4 | Low | 48 Ų | 48 | 81.5 Ų | 81.5 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | trans | -95.8 | 88.4 | 176.8 | -66.1 | -100 | -177.1 | 0 | 0 | 108.4 | L150 K151 K153 L160 Q164 M165 | L150-M162 VanDerWaalsContact CD2-O 3.25Å; L150-M162 WeakPolarHBondContact CD2-O 3.48Å; K151-M162 WeakPolarHBondContact O-CB 3.42Å; K153-M162 HydrophobicContact CB-CE 4.16Å; K153-M162 HydrophobicContact CD-CE 4.37Å; L160-M162 HydrophobicContact CB-CE 4.44Å; L160-M162 PolarHBondContact O-N 2.79Å; L160-M162 VanDerWaalsContact O-N 3.11Å; M162-Q164 HydrophobicContact CB-CB 4.33Å; M162-Q164 HydrophobicContact CB-CG 4.09Å; M162-Q164 PolarHBondContact O-N 3.21Å; M162-Q164 HydrophobicContact SD-CG 4.11Å; M162-Q164 PolarHBondContact SD-NE2 2.87Å; M162-Q164 VanDerWaalsContact SD-NE2 3.37Å; M162-M165 PolarHBondContact O-N 2.9Å | ||
| 163 | P | 46.7 | Very low | 62.6 | Low | 47 Ų | 47 | 79.5 Ų | 79.5 | 31% | 0.305 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -55 | -13.6 | 171.2 | 25.1 | -34.6 | 0 | 0 | 0 | 112.3 | L150 K161 M165 A166 R167 | L150-P163 VanDerWaalsContact CD2-CA 3.41Å; L150-P163 HydrophobicContact CD2-CB 4.42Å; K161-P163 VanDerWaalsContact C-CD 3.46Å; K161-P163 WeakPolarHBondContact O-CD 3.4Å; P163-M165 PolarHBondContact O-N 3.13Å; P163-A166 PolarHBondContact O-N 2.93Å; P163-R167 PolarHBondContact O-NH1 2.8Å |
| 164 | Q | 48.9 | Very low | 64.8 | Low | 97 Ų | 97 | 81.4 Ų | 81.4 | 45% | 0.453 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -47.6 | -28.6 | 173.5 | -41.5 | -153.7 | 22.5 | 0 | 0 | 113.9 | L128 M162 R167 | L128-Q164 HydrophobicContact CD2-CB 4.15Å; L128-Q164 HydrophobicContact CD2-CG 3.66Å; M162-Q164 HydrophobicContact CB-CB 4.33Å; M162-Q164 HydrophobicContact CB-CG 4.09Å; M162-Q164 PolarHBondContact O-N 3.21Å; M162-Q164 HydrophobicContact SD-CG 4.11Å; M162-Q164 PolarHBondContact SD-NE2 2.87Å; M162-Q164 VanDerWaalsContact SD-NE2 3.37Å; Q164-R167 VanDerWaalsContact CA-NH1 3.31Å; Q164-R167 PolarHBondContact O-NH1 3.29Å |
| 165 | M | 53.2 | Low | 67 | Low | 79 Ų | 79 | 79.2 Ų | 79.2 | 39% | 0.389 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -105 | -7.2 | -175 | -73.5 | -160.4 | 69 | 0 | 0 | 116.8 | V148 K151 M162 P163 R167 | V148-M165 WeakPolarHBondContact CG1-O 3.4Å; K151-M165 HydrophobicContact CB-CG 4.49Å; K151-M165 HydrophobicContact CB-SD 3.48Å; K151-M165 WeakPolarHBondContact CB-SD 3.33Å; K151-M165 HydrophobicContact CD-CE 4.02Å; K151-M165 HydrophobicContact CD-SD 3.43Å; K151-M165 WeakPolarHBondContact CD-SD 3.47Å; K151-M165 HydrophobicContact CG-CE 3.99Å; K151-M165 HydrophobicContact CG-SD 3.36Å; K151-M165 WeakPolarHBondContact CG-SD 3.4Å; M162-M165 PolarHBondContact O-N 2.9Å; P163-M165 PolarHBondContact O-N 3.13Å; M165-R167 PolarHBondContact O-N 2.9Å |
| 166 | A | 73.8 | Confident | 69.1 | Low | 3 Ų | 3 | 79 Ų | 79 | 3% | 0.025 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -81.2 | 45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I133 L134 L150 P163 | I133-A166 HydrophobicContact CB-CB 4.07Å; I133-A166 HydrophobicContact CG2-CB 4.17Å; L134-A166 PolarHBondContact N-O 3Å; L150-A166 HydrophobicContact CD2-CB 4.15Å; L150-A166 HydrophobicContact CG-CB 4.48Å; P163-A166 PolarHBondContact O-N 2.93Å |
| 167 | R | 84.4 | Confident | 71.1 | Confident | 8 Ų | 8 | 73 Ų | 73 | 3% | 0.03 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -131.8 | 143.1 | -176.9 | -62.9 | -169.7 | 178.8 | 62.4 | 13.2 | 110.3 | R101 S104 A105 P163 Q164 M165 | R101-R167 PolarHBondContact O-NE 2.93Å; R101-R167 PolarHBondContact O-NH2 2.91Å; S104-R167 PolarHBondContact O-NE 2.83Å; A105-R167 HydrophobicContact CB-CG 4.32Å; A105-R167 CarbonylContact O-C 3.55Å; A105-R167 WeakPolarHBondContact O-CA 3.39Å; A105-R167 VanDerWaalsContact O-CB 3.31Å; A105-R167 WeakPolarHBondContact O-CB 2.9Å; P163-R167 PolarHBondContact O-NH1 2.8Å; Q164-R167 VanDerWaalsContact CA-NH1 3.31Å; Q164-R167 PolarHBondContact O-NH1 3.29Å; M165-R167 PolarHBondContact O-N 2.9Å |
| 168 | V | 91.4 | Very high | 72.8 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 156.6 | 170.8 | -63.6 | 0 | 0 | 0 | 0 | 110.8 | A105 Q106 N107 L134 V148 I171 P188 L198 L206 | A105-V168 PolarHBondContact O-N 3.4Å; Q106-V168 WeakPolarHBondContact CA-O 3.39Å; Q106-V168 HydrophobicContact CB-CG2 3.89Å; N107-V168 PolarHBondContact N-O 2.94Å; N107-V168 PolarHBondContact ND2-O 3.29Å; N107-V168 VanDerWaalsContact ND2-O 3.1Å; L134-V168 HydrophobicContact CD1-CG1 3.97Å; L134-V168 HydrophobicContact CD2-CG1 3.75Å; L134-V168 HydrophobicContact CG-CG1 4.49Å; V148-V168 HydrophobicContact CG2-CG1 4.44Å; V168-I171 HydrophobicContact CB-CD1 4.48Å; V168-I171 HydrophobicContact CG2-CD1 4.09Å; V168-I171 HydrophobicContact CG2-CG1 4.36Å; V168-P188 HydrophobicContact CG1-CB 3.79Å; V168-P188 HydrophobicContact CG1-CG 4.3Å; V168-L198 HydrophobicContact CG1-CD1 4.16Å; V168-L198 HydrophobicContact CG2-CD1 4.43Å; V168-L206 HydrophobicContact CG2-CD1 4.14Å; V168-L206 HydrophobicContact CG2-CD2 3.59Å; V168-L206 HydrophobicContact CG2-CG 4.49Å |
| 169 | R | 90.8 | Very high | 75.3 | Confident | 75 Ų | 75 | 59.9 Ų | 59.9 | 28% | 0.283 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 170.9 | 162.9 | 64.6 | -178.2 | -73.9 | 152.2 | -0.7 | 111.7 | I171 S177 K179 F184 | R169-I171 PolarHBondContact O-N 3.36Å; R169-I171 VanDerWaalsContact O-N 3.15Å; R169-S177 VanDerWaalsContact CD-O 3.3Å; R169-S177 WeakPolarHBondContact CD-O 3.49Å; R169-S177 WeakPolarHBondContact CG-O 3.43Å; R169-K179 WeakPolarHBondContact CD-O 2.87Å; R169-F184 VanDerWaalsContact NH2-CZ 3.35Å |
| 170 | T | 92.6 | Very high | 77.3 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 121.3 | 171.3 | -51.5 | 0 | 0 | 0 | 0 | 110.3 | N107 R108 T172 | N107-T170 WeakPolarHBondContact O-CA 3.49Å; N107-T170 WeakPolarHBondContact O-CB 3.15Å; N107-T170 PolarHBondContact O-N 3.35Å; N107-T170 PolarHBondContact O-OG1 3Å; R108-T170 HydrophobicContact CB-CG2 4.21Å; R108-T170 HydrophobicContact CG-CG2 4Å; T170-T172 HydrophobicContact CG2-CG2 4.36Å |
| 171 | I | 93 | Very high | 79.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 128.4 | 169.5 | -53.4 | -50.7 | 0 | 0 | 0 | 108.3 | R108 V168 R169 S177 L178 L198 I203 L206 F207 Q225 | R108-I171 PolarHBondContact NH1-O 3.41Å; R108-I171 VanDerWaalsContact NH1-O 3.13Å; V168-I171 HydrophobicContact CB-CD1 4.48Å; V168-I171 HydrophobicContact CG2-CD1 4.09Å; V168-I171 HydrophobicContact CG2-CG1 4.36Å; R169-I171 PolarHBondContact O-N 3.36Å; R169-I171 VanDerWaalsContact O-N 3.15Å; I171-S177 WeakPolarHBondContact CD1-O 3.31Å; I171-L178 HydrophobicContact CD1-CD2 4.13Å; I171-L178 HydrophobicContact CG2-CD2 4.03Å; I171-L198 HydrophobicContact CD1-CD1 4.44Å; I171-I203 HydrophobicContact CG2-CG2 4.38Å; I171-L206 HydrophobicContact CG1-CD2 3.68Å; I171-F207 HydrophobicContact CB-CE2 4.05Å; I171-F207 HydrophobicContact CB-CZ 4.32Å; I171-F207 HydrophobicContact CG1-CE2 4.47Å; I171-Q225 HydrophobicContact CG2-CG 4.29Å |
| 172 | T | 90.2 | Very high | 80.9 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 31% | 0.307 | 29% | 0.289 | S | S | . | . | trans | -119.4 | -174.7 | 179.4 | 76 | 0 | 0 | 0 | 0 | 109.9 | T170 R174 S177 Q225 | T170-T172 HydrophobicContact CG2-CG2 4.36Å; T172-R174 PolarHBondContact O-N 3.3Å; T172-R174 PolarHBondContact OG1-N 3.2Å; T172-S177 PolarHBondContact N-OG 3.22Å; T172-S177 PolarHBondContact O-OG 2.69Å; T172-S177 WeakPolarHBondContact OG1-CB 3.2Å; T172-S177 PolarHBondContact OG1-OG 2.87Å; T172-Q225 PolarHBondContact O-NE2 3.32Å | ||
| 173 | T | 90 | Very high | 82.6 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 31% | 0.307 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -67.6 | -15 | 175.5 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | K226 Q230 | T173-K226 HydrophobicContact CG2-CG 3.82Å; T173-Q230 HydrophobicContact CG2-CG 3.43Å; T173-Q230 VanDerWaalsContact CG2-CG 3.43Å |
| 174 | R | 90.3 | Very high | 84.3 | Confident | 177 Ų | 177 | 62.6 Ų | 62.6 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -94.7 | 136.5 | -177.8 | -61.8 | -169.6 | -178.3 | -163.9 | 1.8 | 110.5 | T172 N176 S177 Q225 | T172-R174 PolarHBondContact O-N 3.3Å; T172-R174 PolarHBondContact OG1-N 3.2Å; R174-N176 WeakPolarHBondContact CB-OD1 3.4Å; R174-N176 PolarHBondContact O-N 3.2Å; R174-S177 VanDerWaalsContact O-CB 3.31Å; R174-S177 WeakPolarHBondContact O-CB 3.43Å; R174-S177 PolarHBondContact O-N 3.23Å; R174-S177 PolarHBondContact O-OG 3.4Å; R174-Q225 PolarHBondContact O-NE2 3.32Å |
| 175 | S | 89.4 | Confident | 86.1 | Confident | 90 Ų | 90 | 61.4 Ų | 61.4 | 63% | 0.629 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -58 | -32.6 | -180 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | S177 L178 | S175-S177 PolarHBondContact O-N 3.2Å; S175-S177 VanDerWaalsContact O-N 3.14Å; S175-L178 WeakPolarHBondContact O-CB 3.38Å; S175-L178 WeakPolarHBondContact O-CG 3.2Å; S175-L178 PolarHBondContact O-N 3.43Å |
| 176 | N | 90.8 | Very high | 87.7 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 33% | 0.326 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -58.7 | -26.6 | 176.1 | 70 | -14 | 0 | 0 | 0 | 112.9 | R174 L178 K179 F184 | R174-N176 WeakPolarHBondContact CB-OD1 3.4Å; R174-N176 PolarHBondContact O-N 3.2Å; N176-L178 PolarHBondContact O-N 2.53Å; N176-K179 PolarHBondContact O-N 3.21Å; N176-F184 HydrophobicContact CB-CB 4.47Å; N176-F184 HydrophobicContact CB-CD1 3.92Å; N176-F184 HydrophobicContact CB-CE1 4.49Å; N176-F184 WeakPolarHBondContact O-CD1 3.43Å |
| 177 | S | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -65.1 | -17.6 | 177.2 | 69.7 | 0 | 0 | 0 | 0 | 114.1 | R169 I171 T172 R174 S175 K179 Q225 | R169-S177 VanDerWaalsContact CD-O 3.3Å; R169-S177 WeakPolarHBondContact CD-O 3.49Å; R169-S177 WeakPolarHBondContact CG-O 3.43Å; I171-S177 WeakPolarHBondContact CD1-O 3.31Å; T172-S177 PolarHBondContact N-OG 3.22Å; T172-S177 PolarHBondContact O-OG 2.69Å; T172-S177 WeakPolarHBondContact OG1-CB 3.2Å; T172-S177 PolarHBondContact OG1-OG 2.87Å; R174-S177 VanDerWaalsContact O-CB 3.31Å; R174-S177 WeakPolarHBondContact O-CB 3.43Å; R174-S177 PolarHBondContact O-N 3.23Å; R174-S177 PolarHBondContact O-OG 3.4Å; S175-S177 PolarHBondContact O-N 3.2Å; S175-S177 VanDerWaalsContact O-N 3.14Å; S177-K179 VanDerWaalsContact C-N 3.25Å; S177-Q225 PolarHBondContact OG-NE2 3.04Å |
| 178 | L | 91.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -71.6 | -22.7 | 171.9 | -57.4 | -179.1 | 0 | 0 | 0 | 111.8 | I171 S175 N176 Q180 P188 I197 I203 Q225 | I171-L178 HydrophobicContact CD1-CD2 4.13Å; I171-L178 HydrophobicContact CG2-CD2 4.03Å; S175-L178 WeakPolarHBondContact O-CB 3.38Å; S175-L178 WeakPolarHBondContact O-CG 3.2Å; S175-L178 PolarHBondContact O-N 3.43Å; N176-L178 PolarHBondContact O-N 2.53Å; L178-Q180 PolarHBondContact O-NE2 2.98Å; L178-P188 WeakPolarHBondContact O-CD 3.34Å; L178-P188 VanDerWaalsContact O-CG 3.29Å; L178-P188 WeakPolarHBondContact O-CG 3.5Å; L178-I197 HydrophobicContact CB-CB 4.49Å; L178-I197 HydrophobicContact CB-CG2 4.39Å; L178-I197 HydrophobicContact CD1-CB 4.33Å; L178-I197 HydrophobicContact CD1-CD1 3.97Å; L178-I203 HydrophobicContact CD2-CD1 3.73Å; L178-I203 HydrophobicContact CD2-CG1 4.42Å; L178-Q225 HydrophobicContact CD2-CG 4.5Å |
| 179 | K | 91.7 | Very high | 88.9 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 37% | 0.37 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -94.9 | 145.1 | -179.4 | -61.3 | -175.8 | 178.5 | -176.1 | 0 | 111.7 | R169 N176 S177 F184 L186 | R169-K179 WeakPolarHBondContact CD-O 2.87Å; N176-K179 PolarHBondContact O-N 3.21Å; S177-K179 VanDerWaalsContact C-N 3.25Å; K179-F184 HydrophobicContact CB-CB 4.42Å; K179-F184 WeakPolarHBondContact CB-O 3.39Å; K179-F184 WeakPolarHBondContact CD-O 3.25Å; K179-L186 CarbonylContact C-O 3.56Å; K179-L186 WeakPolarHBondContact CA-O 3.49Å |
| 180 | Q | 88.2 | Confident | 89.1 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -99.3 | 173.8 | -176.6 | -48.2 | -53.5 | -56 | 0 | 0 | 111.7 | V148 L178 F184 S185 L186 P188 | V148-Q180 HydrophobicContact CG2-CG 4.46Å; L178-Q180 PolarHBondContact O-NE2 2.98Å; Q180-F184 WeakPolarHBondContact O-CA 3.41Å; Q180-S185 PolarHBondContact O-N 3.15Å; Q180-L186 HydrophobicContact CB-CB 4.29Å; Q180-L186 PolarHBondContact N-O 3.13Å; Q180-L186 PolarHBondContact O-N 3.36Å; Q180-P188 HydrophobicContact CG-CB 3.75Å; Q180-P188 HydrophobicContact CG-CG 4.45Å |
| 181 | G | 82.2 | Confident | 89.2 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 40% | 0.402 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 167.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T183 F184 | G181-T183 VanDerWaalsContact C-N 3.28Å; G181-T183 PolarHBondContact O-N 3.35Å; G181-F184 PolarHBondContact O-N 2.93Å |
| 182 | R | 79.8 | Confident | 89.2 | Confident | 247 Ų | 247 | 69.4 Ų | 69.4 | 93% | 0.932 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -34.6 | -178.7 | -69.4 | -176.1 | 178.5 | 178.7 | -1.2 | 112.4 | F184 | R182-F184 VanDerWaalsContact O-CD2 3.32Å; R182-F184 WeakPolarHBondContact O-CD2 3.42Å; R182-F184 WeakPolarHBondContact O-CE2 3.33Å |
| 183 | T | 84.1 | Confident | 89.1 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 69% | 0.693 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 4.2 | -179 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | G181 S185 | G181-T183 VanDerWaalsContact C-N 3.28Å; G181-T183 PolarHBondContact O-N 3.35Å; T183-S185 PolarHBondContact O-N 3.08Å; T183-S185 PolarHBondContact OG1-OG 3.46Å |
| 184 | F | 82.6 | Confident | 89.3 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 30% | 0.298 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 34.8 | 178.1 | -56.6 | -115.2 | 0 | 0 | 0 | 113.6 | R169 N176 K179 Q180 G181 R182 | R169-F184 VanDerWaalsContact NH2-CZ 3.35Å; N176-F184 HydrophobicContact CB-CB 4.47Å; N176-F184 HydrophobicContact CB-CD1 3.92Å; N176-F184 HydrophobicContact CB-CE1 4.49Å; N176-F184 WeakPolarHBondContact O-CD1 3.43Å; K179-F184 HydrophobicContact CB-CB 4.42Å; K179-F184 WeakPolarHBondContact CB-O 3.39Å; K179-F184 WeakPolarHBondContact CD-O 3.25Å; Q180-F184 WeakPolarHBondContact O-CA 3.41Å; G181-F184 PolarHBondContact O-N 2.93Å; R182-F184 VanDerWaalsContact O-CD2 3.32Å; R182-F184 WeakPolarHBondContact O-CD2 3.42Å; R182-F184 WeakPolarHBondContact O-CE2 3.33Å |
| 185 | S | 85.4 | Confident | 89.4 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | trans | -102.1 | -17.1 | -177.1 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | Q180 T183 | Q180-S185 PolarHBondContact O-N 3.15Å; T183-S185 PolarHBondContact O-N 3.08Å; T183-S185 PolarHBondContact OG1-OG 3.46Å | ||
| 186 | L | 86.9 | Confident | 89.7 | Confident | 106 Ų | 106 | 69.9 Ų | 69.9 | 56% | 0.555 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -95.4 | 121.9 | -169.6 | -60.8 | 174.4 | 0 | 0 | 0 | 111.8 | K179 Q180 | K179-L186 CarbonylContact C-O 3.56Å; K179-L186 WeakPolarHBondContact CA-O 3.49Å; Q180-L186 HydrophobicContact CB-CB 4.29Å; Q180-L186 PolarHBondContact N-O 3.13Å; Q180-L186 PolarHBondContact O-N 3.36Å |
| 187 | C | 91.3 | Very high | 89.8 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | trans | -69.3 | 132 | 169.7 | -75.7 | 0 | 0 | 0 | 0 | 110.7 | V189 P195 D196 | C187-V189 VanDerWaalsContact C-N 3.25Å; C187-V189 PolarHBondContact O-N 3.26Å; C187-P195 HydrophobicContact CB-CB 3.76Å; C187-D196 VanDerWaalsContact CB-O 3.26Å; C187-D196 WeakPolarHBondContact CB-O 3.42Å | ||
| 188 | P | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 70.3 Ų | 70.3 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -74.7 | -15.9 | -178.5 | 29.4 | -33.5 | 0 | 0 | 0 | 113.1 | L134 K147 V148 V168 L178 Q180 L198 | L134-P188 HydrophobicContact CD2-CB 4.08Å; K147-P188 PolarHBondContact N-O 2.94Å; V148-P188 HydrophobicContact CG2-CB 3.71Å; V168-P188 HydrophobicContact CG1-CB 3.79Å; V168-P188 HydrophobicContact CG1-CG 4.3Å; L178-P188 WeakPolarHBondContact O-CD 3.34Å; L178-P188 VanDerWaalsContact O-CG 3.29Å; L178-P188 WeakPolarHBondContact O-CG 3.5Å; Q180-P188 HydrophobicContact CG-CB 3.75Å; Q180-P188 HydrophobicContact CG-CG 4.45Å; P188-L198 HydrophobicContact CG-CG 4.24Å |
| 189 | V | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 152.9 | -176 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | L134 L138 R144 K145 K147 C187 D196 L198 | L134-V189 HydrophobicContact CD2-CG2 4.44Å; L138-V189 HydrophobicContact CD1-CG1 4.01Å; L138-V189 HydrophobicContact CD1-CG2 4.25Å; L138-V189 HydrophobicContact CD2-CG1 4.32Å; L138-V189 HydrophobicContact CD2-CG2 3.58Å; R144-V189 HydrophobicContact CB-CG1 4.16Å; K145-V189 WeakPolarHBondContact O-CA 3.27Å; K147-V189 WeakPolarHBondContact CD-O 3.43Å; C187-V189 VanDerWaalsContact C-N 3.25Å; C187-V189 PolarHBondContact O-N 3.26Å; V189-D196 CarbonylContact C-O 3.5Å; V189-D196 WeakPolarHBondContact CB-O 3.43Å; V189-D196 PolarHBondContact N-O 3.1Å; V189-D196 PolarHBondContact O-N 2.72Å; V189-D196 VanDerWaalsContact O-O 3.08Å; V189-L198 HydrophobicContact CG2-CD2 3.71Å; V189-L198 HydrophobicContact CG2-CG 4.39Å |
| 190 | E | 93.2 | Very high | 90.4 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.4 | 166.3 | -163.4 | 168.2 | 103.4 | 0 | 0 | 108.4 | R144 K145 K147 G193 R194 | R144-E190 CarbonylContact C-O 3.56Å; R144-E190 VanDerWaalsContact CA-O 3.29Å; R144-E190 WeakPolarHBondContact CA-O 3.39Å; K145-E190 PolarHBondContact N-O 3.44Å; K145-E190 PolarHBondContact O-N 2.89Å; K147-E190 HydrophobicContact CD-CB 3.84Å; K147-E190 HydrophobicContact CD-CG 4.43Å; K147-E190 WeakPolarHBondContact CE-OE2 3.45Å; K147-E190 HydrophobicContact CG-CB 3.68Å; K147-E190 IonicContact NZ-OE2 2.72Å; K147-E190 PolarHBondContact NZ-OE2 3.14Å; E190-G193 VanDerWaalsContact CG-C 3.48Å; E190-G193 WeakPolarHBondContact OE1-CA 3.47Å; E190-R194 CarbonylContact C-O 3.6Å; E190-R194 VanDerWaalsContact CA-O 3.28Å; E190-R194 WeakPolarHBondContact CA-O 3.44Å; E190-R194 WeakPolarHBondContact CG-O 3.37Å |
| 191 | M | 94.7 | Very high | 90.8 | Very high | 59 Ų | 59 | 70.5 Ų | 70.5 | 29% | 0.291 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 117.3 | 170.9 | -178.1 | 174.2 | 172.8 | 0 | 0 | 107.5 | R144 G193 R194 D196 W199 | R144-M191 HydrophobicContact CG-CB 4.26Å; R144-M191 HydrophobicContact CG-CG 4.13Å; R144-M191 HydrophobicContact CG-SD 4.33Å; M191-G193 VanDerWaalsContact C-N 3.28Å; M191-G193 PolarHBondContact O-N 3.13Å; M191-R194 PolarHBondContact N-O 2.84Å; M191-R194 PolarHBondContact O-N 2.82Å; M191-D196 HydrophobicContact CB-CB 4.35Å; M191-W199 HydrophobicContact CE-CZ2 4.43Å; M191-W199 HydrophobicContact SD-CH2 4.35Å; M191-W199 HydrophobicContact SD-CZ2 3.75Å |
| 192 | D | 93 | Very high | 91.6 | Very high | 121 Ų | 121 | 68.6 Ų | 68.6 | 65% | 0.647 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 45.4 | 178.3 | -53.1 | -42.6 | 0 | 0 | 0 | 113.5 | G143 R194 | G143-D192 PolarHBondContact O-N 3.29Å; D192-R194 VanDerWaalsContact C-N 3.26Å; D192-R194 PolarHBondContact O-N 3.12Å |
| 193 | G | 90 | Very high | 92.4 | Very high | 53 Ų | 53 | 57 Ų | 57 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -7.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | E190 M191 | E190-G193 VanDerWaalsContact CG-C 3.48Å; E190-G193 WeakPolarHBondContact OE1-CA 3.47Å; M191-G193 VanDerWaalsContact C-N 3.28Å; M191-G193 PolarHBondContact O-N 3.13Å |
| 194 | R | 93.6 | Very high | 93 | Very high | 195 Ų | 195 | 51.7 Ų | 51.7 | 74% | 0.736 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 136.6 | -177.3 | -62.6 | -177.2 | -177.7 | 174.5 | 1.7 | 111.8 | E190 M191 D192 D196 | E190-R194 CarbonylContact C-O 3.6Å; E190-R194 VanDerWaalsContact CA-O 3.28Å; E190-R194 WeakPolarHBondContact CA-O 3.44Å; E190-R194 WeakPolarHBondContact CG-O 3.37Å; M191-R194 PolarHBondContact N-O 2.84Å; M191-R194 PolarHBondContact O-N 2.82Å; D192-R194 VanDerWaalsContact C-N 3.26Å; D192-R194 PolarHBondContact O-N 3.12Å; R194-D196 PolarHBondContact O-N 3.39Å |
| 195 | P | 92.6 | Very high | 93.7 | Very high | 86 Ų | 86 | 52 Ų | 52 | 56% | 0.558 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 132.9 | 176.3 | -18 | 29.3 | 0 | 0 | 0 | 111.9 | C187 | C187-P195 HydrophobicContact CB-CB 3.76Å |
| 196 | D | 94.7 | Very high | 94.2 | Very high | 43 Ų | 43 | 48.6 Ų | 48.6 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 156.4 | 178.3 | -164.4 | 19 | 0 | 0 | 0 | 112.7 | R144 C187 V189 M191 R194 W199 | R144-D196 IonicContact CZ-OD2 3.17Å; R144-D196 IonicContact NH1-OD2 2.98Å; R144-D196 PolarHBondContact NH1-OD2 3.46Å; R144-D196 IonicContact NH2-OD2 3.93Å; C187-D196 VanDerWaalsContact CB-O 3.26Å; C187-D196 WeakPolarHBondContact CB-O 3.42Å; V189-D196 CarbonylContact C-O 3.5Å; V189-D196 WeakPolarHBondContact CB-O 3.43Å; V189-D196 PolarHBondContact N-O 3.1Å; V189-D196 PolarHBondContact O-N 2.72Å; V189-D196 VanDerWaalsContact O-O 3.08Å; M191-D196 HydrophobicContact CB-CB 4.35Å; R194-D196 PolarHBondContact O-N 3.39Å; D196-W199 PolarHBondContact OD2-NE1 3.05Å; D196-W199 VanDerWaalsContact OD2-NE1 3.08Å |
| 197 | I | 93.5 | Very high | 94.7 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 33% | 0.333 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -85.7 | 166.2 | 174.4 | 58.2 | 169.3 | 0 | 0 | 0 | 111.2 | R144 L178 | R144-I197 PolarHBondContact NH2-O 3.06Å; L178-I197 HydrophobicContact CB-CB 4.49Å; L178-I197 HydrophobicContact CB-CG2 4.39Å; L178-I197 HydrophobicContact CD1-CB 4.33Å; L178-I197 HydrophobicContact CD1-CD1 3.97Å |
| 198 | L | 95.5 | Very high | 95 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 135.5 | 171 | -68.8 | 170.1 | 0 | 0 | 0 | 110.7 | L134 L138 V168 I171 P188 V189 E202 I203 L206 | L134-L198 HydrophobicContact CD1-CD2 4.01Å; L138-L198 HydrophobicContact CD2-CD2 3.75Å; V168-L198 HydrophobicContact CG1-CD1 4.16Å; V168-L198 HydrophobicContact CG2-CD1 4.43Å; I171-L198 HydrophobicContact CD1-CD1 4.44Å; P188-L198 HydrophobicContact CG-CG 4.24Å; V189-L198 HydrophobicContact CG2-CD2 3.71Å; V189-L198 HydrophobicContact CG2-CG 4.39Å; L198-E202 WeakPolarHBondContact CA-OE2 3.43Å; L198-E202 HydrophobicContact CD2-CB 4.12Å; L198-I203 HydrophobicContact CB-CD1 4.4Å; L198-I203 HydrophobicContact CB-CG1 3.85Å; L198-L206 HydrophobicContact CD1-CD2 4.21Å |
| 199 | W | 96.1 | Very high | 95.2 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 29% | 0.288 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -76.2 | 156 | 172.9 | -64.8 | -8.7 | 0 | 0 | 0 | 111.3 | T139 C142 R144 M191 D196 T201 E202 I203 | T139-W199 HydrophobicContact CG2-CZ3 4.1Å; C142-W199 HydrophobicContact CB-CH2 4.07Å; C142-W199 HydrophobicContact CB-CZ3 4.38Å; R144-W199 VanDerWaalsContact CZ-CE2 3.45Å; R144-W199 VanDerWaalsContact NH1-CE2 3.28Å; R144-W199 VanDerWaalsContact NH1-NE1 3.2Å; M191-W199 HydrophobicContact CE-CZ2 4.43Å; M191-W199 HydrophobicContact SD-CH2 4.35Å; M191-W199 HydrophobicContact SD-CZ2 3.75Å; D196-W199 PolarHBondContact OD2-NE1 3.05Å; D196-W199 VanDerWaalsContact OD2-NE1 3.08Å; W199-T201 PolarHBondContact O-N 3.25Å; W199-E202 HydrophobicContact CB-CG 4.11Å; W199-E202 PolarHBondContact N-OE2 2.9Å; W199-E202 WeakPolarHBondContact O-CA 3.19Å; W199-E202 WeakPolarHBondContact O-CB 3.37Å; W199-E202 PolarHBondContact O-N 3.46Å; W199-I203 WeakPolarHBondContact O-CG1 3.35Å; W199-I203 PolarHBondContact O-N 3.02Å |
| 200 | P | 96.3 | Very high | 95.4 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -52 | -40.7 | 177.8 | -29.7 | 37.3 | 0 | 0 | 0 | 113.9 | E202 I203 E204 P221 R224 | P200-E202 VanDerWaalsContact C-N 3.34Å; P200-E202 PolarHBondContact O-N 3.49Å; P200-I203 PolarHBondContact O-N 3.08Å; P200-E204 WeakPolarHBondContact O-CG 3.42Å; P200-E204 PolarHBondContact O-N 2.91Å; P200-P221 HydrophobicContact CG-CB 3.78Å; P200-P221 HydrophobicContact CG-CG 4.27Å; P200-R224 HydrophobicContact CB-CB 4.5Å |
| 201 | T | 96.8 | Very high | 95.5 | Very high | 18 Ų | 18 | 49 Ų | 49 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67 | -32.2 | 176.7 | 49.2 | 0 | 0 | 0 | 0 | 113.5 | W199 E204 R205 V211 | W199-T201 PolarHBondContact O-N 3.25Å; T201-E204 WeakPolarHBondContact CA-OE2 3.31Å; T201-E204 WeakPolarHBondContact O-CB 3.12Å; T201-E204 PolarHBondContact O-N 2.82Å; T201-R205 WeakPolarHBondContact O-CG 3.35Å; T201-R205 PolarHBondContact O-N 3.49Å; T201-V211 HydrophobicContact CG2-CG1 3.75Å |
| 202 | E | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.6 | -35.2 | 174.2 | -60.4 | 175.4 | 151.5 | 0 | 0 | 110.8 | I137 L138 T139 R144 L198 W199 P200 R205 L206 | I137-E202 WeakPolarHBondContact CG2-O 3.41Å; L138-E202 WeakPolarHBondContact CA-OE1 3.41Å; T139-E202 PolarHBondContact N-OE1 2.91Å; T139-E202 WeakPolarHBondContact OG1-CG 3.41Å; T139-E202 PolarHBondContact OG1-OE1 2.8Å; R144-E202 WeakPolarHBondContact CD-OE1 3.36Å; R144-E202 IonicContact CZ-OE1 2.82Å; R144-E202 IonicContact CZ-OE2 3.55Å; R144-E202 IonicContact NE-OE1 3.53Å; R144-E202 PolarHBondContact NE-OE1 3.13Å; R144-E202 IonicContact NE-OE2 3.95Å; R144-E202 PolarHBondContact NE-OE2 3.19Å; R144-E202 IonicContact NH2-OE1 3.44Å; R144-E202 IonicContact NH2-OE2 2.66Å; R144-E202 PolarHBondContact NH2-OE2 3.42Å; L198-E202 WeakPolarHBondContact CA-OE2 3.43Å; L198-E202 HydrophobicContact CD2-CB 4.12Å; W199-E202 HydrophobicContact CB-CG 4.11Å; W199-E202 PolarHBondContact N-OE2 2.9Å; W199-E202 WeakPolarHBondContact O-CA 3.19Å; W199-E202 WeakPolarHBondContact O-CB 3.37Å; W199-E202 PolarHBondContact O-N 3.46Å; P200-E202 VanDerWaalsContact C-N 3.34Å; P200-E202 PolarHBondContact O-N 3.49Å; E202-R205 PolarHBondContact O-N 3.01Å; E202-L206 VanDerWaalsContact O-CB 3.27Å; E202-L206 WeakPolarHBondContact O-CB 3.49Å; E202-L206 PolarHBondContact O-N 3.16Å |
| 203 | I | 97.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 172.1 | -58.1 | 168.4 | 0 | 0 | 0 | 110.2 | I171 L178 L198 W199 P200 L206 F207 Q225 I228 | I171-I203 HydrophobicContact CG2-CG2 4.38Å; L178-I203 HydrophobicContact CD2-CD1 3.73Å; L178-I203 HydrophobicContact CD2-CG1 4.42Å; L198-I203 HydrophobicContact CB-CD1 4.4Å; L198-I203 HydrophobicContact CB-CG1 3.85Å; W199-I203 WeakPolarHBondContact O-CG1 3.35Å; W199-I203 PolarHBondContact O-N 3.02Å; P200-I203 PolarHBondContact O-N 3.08Å; I203-L206 WeakPolarHBondContact O-CB 3.12Å; I203-L206 PolarHBondContact O-N 2.58Å; I203-F207 HydrophobicContact CG2-CD2 4.18Å; I203-F207 HydrophobicContact CG2-CE2 4.17Å; I203-F207 WeakPolarHBondContact O-CD2 3.33Å; I203-F207 PolarHBondContact O-N 3.43Å; I203-F207 VanDerWaalsContact O-N 3.1Å; I203-Q225 HydrophobicContact CD1-CB 4.49Å; I203-Q225 HydrophobicContact CD1-CG 4.36Å; I203-I228 HydrophobicContact CB-CD1 4.35Å; I203-I228 HydrophobicContact CG2-CB 4.18Å; I203-I228 HydrophobicContact CG2-CD1 3.99Å; I203-I228 HydrophobicContact CG2-CG2 3.8Å |
| 204 | E | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.4 | -53 | 172.9 | -73.5 | 164.8 | 171.4 | 0 | 0 | 111 | P200 T201 L206 F207 G208 L209 H212 Y213 T214 R224 I228 | P200-E204 WeakPolarHBondContact O-CG 3.42Å; P200-E204 PolarHBondContact O-N 2.91Å; T201-E204 WeakPolarHBondContact CA-OE2 3.31Å; T201-E204 WeakPolarHBondContact O-CB 3.12Å; T201-E204 PolarHBondContact O-N 2.82Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 3.44Å; E204-F207 CarbonylContact O-C 3.4Å; E204-F207 PolarHBondContact O-N 2.82Å; E204-F207 VanDerWaalsContact O-N 3.08Å; E204-G208 PolarHBondContact O-N 3.26Å; E204-L209 HydrophobicContact CB-CB 4.04Å; E204-L209 HydrophobicContact CG-CB 4.45Å; E204-L209 HydrophobicContact CG-CD1 4.49Å; E204-L209 PolarHBondContact O-N 3.03Å; E204-H212 WeakPolarHBondContact OE2-CA 3.18Å; E204-H212 PolarHBondContact OE2-N 3.44Å; E204-Y213 PolarHBondContact OE1-N 3.47Å; E204-T214 WeakPolarHBondContact OE1-CB 3.47Å; E204-T214 PolarHBondContact OE1-N 2.66Å; E204-T214 PolarHBondContact OE1-OG1 2.93Å; E204-R224 IonicContact OE1-CZ 3.89Å; E204-R224 IonicContact OE1-NE 3.66Å; E204-R224 IonicContact OE1-NH2 3.61Å; E204-R224 PolarHBondContact OE1-NH2 2.91Å; E204-R224 IonicContact OE2-NH2 2.69Å; E204-I228 HydrophobicContact CG-CD1 3.66Å |
| 205 | R | 96.8 | Very high | 96.4 | Very high | 75 Ų | 75 | 45 Ų | 45 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 176.2 | -69.6 | -177.8 | -166.1 | 125 | 4.9 | 112.4 | I137 T139 T201 E202 F207 G208 V211 | I137-R205 HydrophobicContact CG2-CB 3.38Å; I137-R205 WeakPolarHBondContact O-CD 3.48Å; I137-R205 PolarHBondContact O-NH1 2.99Å; T139-R205 PolarHBondContact OG1-NH1 3.15Å; T201-R205 WeakPolarHBondContact O-CG 3.35Å; T201-R205 PolarHBondContact O-N 3.49Å; E202-R205 PolarHBondContact O-N 3.01Å; R205-F207 PolarHBondContact O-N 2.95Å; R205-G208 WeakPolarHBondContact O-CA 3.26Å; R205-G208 PolarHBondContact O-N 3.03Å; R205-V211 HydrophobicContact CG-CG2 4.03Å |
| 206 | L | 95.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -32.3 | 177.2 | -173.5 | 70 | 0 | 0 | 0 | 112.7 | S104 A105 Q106 I137 V168 I171 L198 E202 I203 E204 | S104-L206 WeakPolarHBondContact CB-O 3.39Å; A105-L206 HydrophobicContact CB-CD1 4.14Å; Q106-L206 HydrophobicContact CB-CD1 3.92Å; Q106-L206 HydrophobicContact CB-CD2 4.08Å; Q106-L206 HydrophobicContact CB-CG 4.03Å; Q106-L206 HydrophobicContact CG-CD1 4.19Å; Q106-L206 HydrophobicContact CG-CD2 4.47Å; Q106-L206 HydrophobicContact CG-CG 4.04Å; Q106-L206 PolarHBondContact NE2-O 3.05Å; I137-L206 HydrophobicContact CD1-CD1 3.48Å; I137-L206 VanDerWaalsContact CD1-CD1 3.48Å; I137-L206 HydrophobicContact CG2-CB 4.15Å; V168-L206 HydrophobicContact CG2-CD1 4.14Å; V168-L206 HydrophobicContact CG2-CD2 3.59Å; V168-L206 HydrophobicContact CG2-CG 4.49Å; I171-L206 HydrophobicContact CG1-CD2 3.68Å; L198-L206 HydrophobicContact CD1-CD2 4.21Å; E202-L206 VanDerWaalsContact O-CB 3.27Å; E202-L206 WeakPolarHBondContact O-CB 3.49Å; E202-L206 PolarHBondContact O-N 3.16Å; I203-L206 WeakPolarHBondContact O-CB 3.12Å; I203-L206 PolarHBondContact O-N 2.58Å; E204-L206 VanDerWaalsContact C-N 3.28Å; E204-L206 PolarHBondContact O-N 3.44Å |
| 207 | F | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -89.9 | -3.3 | 173.7 | -80.2 | -110.4 | 0 | 0 | 0 | 112.7 | Q106 I171 I203 E204 R205 L209 I228 I234 P235 | Q106-F207 VanDerWaalsContact NE2-CD2 3.33Å; I171-F207 HydrophobicContact CB-CE2 4.05Å; I171-F207 HydrophobicContact CB-CZ 4.32Å; I171-F207 HydrophobicContact CG1-CE2 4.47Å; I203-F207 HydrophobicContact CG2-CD2 4.18Å; I203-F207 HydrophobicContact CG2-CE2 4.17Å; I203-F207 WeakPolarHBondContact O-CD2 3.33Å; I203-F207 PolarHBondContact O-N 3.43Å; I203-F207 VanDerWaalsContact O-N 3.1Å; E204-F207 CarbonylContact O-C 3.4Å; E204-F207 PolarHBondContact O-N 2.82Å; E204-F207 VanDerWaalsContact O-N 3.08Å; R205-F207 PolarHBondContact O-N 2.95Å; F207-L209 VanDerWaalsContact C-N 3.29Å; F207-L209 HydrophobicContact CB-CD1 4.38Å; F207-L209 HydrophobicContact CB-CG 4.36Å; F207-I228 HydrophobicContact CB-CG2 3.86Å; F207-I228 HydrophobicContact CD1-CG2 3.79Å; F207-I228 HydrophobicContact CD2-CG2 3.42Å; F207-I228 VanDerWaalsContact CD2-CG2 3.42Å; F207-I228 HydrophobicContact CE1-CG2 4.14Å; F207-I228 WeakPolarHBondContact CE1-O 3.14Å; F207-I228 HydrophobicContact CE2-CG2 3.81Å; F207-I228 HydrophobicContact CG-CG2 3.4Å; F207-I228 VanDerWaalsContact CG-CG2 3.4Å; F207-I228 HydrophobicContact CZ-CG2 4.15Å; F207-I234 WeakPolarHBondContact O-CB 3.3Å; F207-I234 WeakPolarHBondContact O-CG1 3.37Å; F207-I234 PolarHBondContact O-N 2.88Å; F207-P235 WeakPolarHBondContact O-CD 2.89Å |
| 208 | G | 96.8 | Very high | 96.5 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 32% | 0.32 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 25.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E204 R205 I234 | E204-G208 PolarHBondContact O-N 3.26Å; R205-G208 WeakPolarHBondContact O-CA 3.26Å; R205-G208 PolarHBondContact O-N 3.03Å; G208-I234 WeakPolarHBondContact O-CB 3.25Å |
| 209 | L | 97.6 | Very high | 96.5 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 150.8 | 167.7 | -66.5 | 168.2 | 0 | 0 | 0 | 109.8 | E204 F207 Y213 I228 I234 | E204-L209 HydrophobicContact CB-CB 4.04Å; E204-L209 HydrophobicContact CG-CB 4.45Å; E204-L209 HydrophobicContact CG-CD1 4.49Å; E204-L209 PolarHBondContact O-N 3.03Å; F207-L209 VanDerWaalsContact C-N 3.29Å; F207-L209 HydrophobicContact CB-CD1 4.38Å; F207-L209 HydrophobicContact CB-CG 4.36Å; L209-Y213 HydrophobicContact CB-CG 4.35Å; L209-Y213 HydrophobicContact CD1-CD1 4.18Å; L209-Y213 HydrophobicContact CD2-CD1 3.8Å; L209-Y213 HydrophobicContact CD2-CE1 3.96Å; L209-Y213 HydrophobicContact CD2-CG 4.16Å; L209-Y213 HydrophobicContact CG-CD1 4.4Å; L209-I228 HydrophobicContact CD1-CG1 4.05Å; L209-I228 HydrophobicContact CD1-CG2 4.07Å; L209-I234 HydrophobicContact CD2-CD1 4.04Å; L209-I234 HydrophobicContact CD2-CG1 3.79Å; L209-I234 HydrophobicContact CG-CG1 4.24Å |
| 210 | P | 97.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 49.2 Ų | 49.2 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 148 | 166.5 | -23.9 | 34 | 0 | 0 | 0 | 111.5 | H212 Y213 | P210-H212 PolarHBondContact O-N 2.93Å; P210-Y213 HydrophobicContact CB-CD2 4.49Å; P210-Y213 HydrophobicContact CG-CD2 4.07Å; P210-Y213 WeakPolarHBondContact O-CB 3.44Å; P210-Y213 PolarHBondContact O-N 2.97Å; P210-Y213 VanDerWaalsContact O-N 3.14Å |
| 211 | V | 96.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 52 Ų | 52 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 135.9 | 174.6 | -166.9 | 0 | 0 | 0 | 0 | 108.6 | T201 R205 Y213 | T201-V211 HydrophobicContact CG2-CG1 3.75Å; R205-V211 HydrophobicContact CG-CG2 4.03Å; V211-Y213 VanDerWaalsContact C-N 3.28Å; V211-Y213 PolarHBondContact O-N 2.64Å |
| 212 | H | 97.1 | Very high | 96.3 | Very high | 107 Ų | 107 | 54.8 Ų | 54.8 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 12.8 | -173.6 | -53.8 | -80 | 0 | 0 | 0 | 115.4 | E204 P210 T214 D215 | E204-H212 WeakPolarHBondContact OE2-CA 3.18Å; E204-H212 PolarHBondContact OE2-N 3.44Å; P210-H212 PolarHBondContact O-N 2.93Å; H212-T214 PolarHBondContact O-N 2.99Å; H212-T214 VanDerWaalsContact O-N 3.17Å; H212-D215 HydrophobicContact CB-CB 3.82Å; H212-D215 IonicContact CE1-OD2 3.9Å; H212-D215 IonicContact CG-OD2 3.95Å; H212-D215 IonicContact ND1-OD2 3.6Å; H212-D215 PolarHBondContact ND1-OD2 3.27Å; H212-D215 VanDerWaalsContact O-CB 3.29Å; H212-D215 WeakPolarHBondContact O-CB 3.29Å; H212-D215 PolarHBondContact O-N 3.2Å |
| 213 | Y | 97.9 | Very high | 96.2 | Very high | 145 Ų | 145 | 60.1 Ų | 60.1 | 57% | 0.569 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -32.8 | 178.9 | -173.1 | -92.4 | 0 | 0 | 0 | 113.7 | E204 L209 P210 V211 | E204-Y213 PolarHBondContact OE1-N 3.47Å; L209-Y213 HydrophobicContact CB-CG 4.35Å; L209-Y213 HydrophobicContact CD1-CD1 4.18Å; L209-Y213 HydrophobicContact CD2-CD1 3.8Å; L209-Y213 HydrophobicContact CD2-CE1 3.96Å; L209-Y213 HydrophobicContact CD2-CG 4.16Å; L209-Y213 HydrophobicContact CG-CD1 4.4Å; P210-Y213 HydrophobicContact CB-CD2 4.49Å; P210-Y213 HydrophobicContact CG-CD2 4.07Å; P210-Y213 WeakPolarHBondContact O-CB 3.44Å; P210-Y213 PolarHBondContact O-N 2.97Å; P210-Y213 VanDerWaalsContact O-N 3.14Å; V211-Y213 VanDerWaalsContact C-N 3.28Å; V211-Y213 PolarHBondContact O-N 2.64Å |
| 214 | T | 97.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 9.5 | 177.8 | 65 | 0 | 0 | 0 | 0 | 113.7 | E204 H212 V216 R224 I228 | E204-T214 WeakPolarHBondContact OE1-CB 3.47Å; E204-T214 PolarHBondContact OE1-N 2.66Å; E204-T214 PolarHBondContact OE1-OG1 2.93Å; H212-T214 PolarHBondContact O-N 2.99Å; H212-T214 VanDerWaalsContact O-N 3.17Å; T214-V216 PolarHBondContact O-N 3.03Å; T214-R224 WeakPolarHBondContact O-CG 3.31Å; T214-R224 PolarHBondContact O-NE 3.3Å; T214-R224 PolarHBondContact OG1-NE 2.78Å; T214-I228 HydrophobicContact CG2-CD1 3.92Å; T214-I228 HydrophobicContact CG2-CG1 3.59Å |
| 215 | D | 96.8 | Very high | 96.1 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | trans | -83.9 | 59.3 | 179.9 | -150.7 | 3 | 0 | 0 | 0 | 111.1 | H212 R224 | H212-D215 HydrophobicContact CB-CB 3.82Å; H212-D215 IonicContact CE1-OD2 3.9Å; H212-D215 IonicContact CG-OD2 3.95Å; H212-D215 IonicContact ND1-OD2 3.6Å; H212-D215 PolarHBondContact ND1-OD2 3.27Å; H212-D215 VanDerWaalsContact O-CB 3.29Å; H212-D215 WeakPolarHBondContact O-CB 3.29Å; H212-D215 PolarHBondContact O-N 3.2Å; D215-R224 VanDerWaalsContact CG-NH1 3.34Å; D215-R224 IonicContact OD1-CZ 3.88Å; D215-R224 IonicContact OD1-NH1 3.21Å; D215-R224 PolarHBondContact OD1-NH1 3.22Å; D215-R224 IonicContact OD2-NH1 2.79Å | ||
| 216 | V | 96.1 | Very high | 96 | Very high | 82 Ų | 82 | 62.6 Ų | 62.6 | 50% | 0.497 | 38% | 0.378 | S | S | . | . | trans | -123.4 | 144.2 | -173.2 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | T214 G218 L219 | T214-V216 PolarHBondContact O-N 3.03Å; V216-G218 PolarHBondContact O-N 3.03Å; V216-G218 VanDerWaalsContact O-N 3.09Å; V216-L219 HydrophobicContact CG2-CD1 3.95Å; V216-L219 WeakPolarHBondContact O-CB 3.18Å; V216-L219 WeakPolarHBondContact O-CG 3.33Å; V216-L219 PolarHBondContact O-N 3.21Å; V216-L219 VanDerWaalsContact O-N 3.16Å | ||
| 217 | G | 94.2 | Very high | 96 | Very high | 88 Ų | 88 | 67.2 Ų | 67.2 | 91% | 0.907 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 25 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L219 | G217-L219 PolarHBondContact O-N 2.81Š|
| 218 | G | 94 | Very high | 96 | Very high | 74 Ų | 74 | 67.3 Ų | 67.3 | 76% | 0.763 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 26.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | V216 | V216-G218 PolarHBondContact O-N 3.03Å; V216-G218 VanDerWaalsContact O-N 3.09Å |
| 219 | L | 95 | Very high | 95.9 | Very high | 55 Ų | 55 | 66.1 Ų | 66.1 | 29% | 0.288 | 39% | 0.391 | S | S | . | . | trans | -61.2 | 128.6 | -178.3 | -75.6 | 171.9 | 0 | 0 | 0 | 111.7 | V216 G217 K223 R224 L227 | V216-L219 HydrophobicContact CG2-CD1 3.95Å; V216-L219 WeakPolarHBondContact O-CB 3.18Å; V216-L219 WeakPolarHBondContact O-CG 3.33Å; V216-L219 PolarHBondContact O-N 3.21Å; V216-L219 VanDerWaalsContact O-N 3.16Å; G217-L219 PolarHBondContact O-N 2.81Å; L219-K223 HydrophobicContact CD2-CB 4.05Å; L219-R224 HydrophobicContact CB-CG 3.93Å; L219-L227 HydrophobicContact CD1-CD1 3.77Å | ||
| 220 | P | 95.8 | Very high | 95.6 | Very high | 63 Ų | 63 | 69.3 Ų | 69.3 | 41% | 0.409 | 41% | 0.405 | S | S | . | . | trans | -68.8 | 156.6 | 177.3 | 28.9 | -35.1 | 0 | 0 | 0 | 111 | S222 K223 R224 | P220-S222 PolarHBondContact O-N 3.04Å; P220-K223 HydrophobicContact CG-CB 4.08Å; P220-K223 HydrophobicContact CG-CG 3.61Å; P220-K223 PolarHBondContact O-N 2.81Å; P220-R224 PolarHBondContact O-N 3.34Å; P220-R224 VanDerWaalsContact O-N 3.11Å | ||
| 221 | P | 94.5 | Very high | 95.5 | Very high | 86 Ų | 86 | 66.6 Ų | 66.6 | 56% | 0.558 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -49.7 | -38.1 | -177.3 | -32.2 | 37 | 0 | 0 | 0 | 115.1 | P200 R224 Q225 | P200-P221 HydrophobicContact CG-CB 3.78Å; P200-P221 HydrophobicContact CG-CG 4.27Å; P221-R224 PolarHBondContact O-N 3.42Å; P221-Q225 PolarHBondContact O-N 3.38Å |
| 222 | S | 94.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 66.4 Ų | 66.4 | 52% | 0.524 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 179.2 | 60 | 0 | 0 | 0 | 0 | 113.2 | P220 K226 | P220-S222 PolarHBondContact O-N 3.04Å; S222-K226 PolarHBondContact O-N 2.85Å |
| 223 | K | 95.6 | Very high | 95.5 | Very high | 112 Ų | 112 | 61.6 Ų | 61.6 | 49% | 0.487 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -74.3 | -39.1 | 176.3 | -65.3 | -73.7 | -174.1 | 171.1 | 0 | 110.7 | L219 P220 K226 L227 | L219-K223 HydrophobicContact CD2-CB 4.05Å; P220-K223 HydrophobicContact CG-CB 4.08Å; P220-K223 HydrophobicContact CG-CG 3.61Å; P220-K223 PolarHBondContact O-N 2.81Å; K223-K226 WeakPolarHBondContact O-CB 3.46Å; K223-K226 PolarHBondContact O-N 2.85Å; K223-K226 VanDerWaalsContact O-N 3.16Å; K223-L227 WeakPolarHBondContact O-CG 3.29Å; K223-L227 PolarHBondContact O-N 2.85Å |
| 224 | R | 97.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 8% | 0.075 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.8 | -49.9 | 170.7 | -66.2 | 178.3 | 63.1 | 173.5 | 0.4 | 110.8 | P200 E204 T214 D215 L219 P220 P221 K226 L227 I228 | P200-R224 HydrophobicContact CB-CB 4.5Å; E204-R224 IonicContact OE1-CZ 3.89Å; E204-R224 IonicContact OE1-NE 3.66Å; E204-R224 IonicContact OE1-NH2 3.61Å; E204-R224 PolarHBondContact OE1-NH2 2.91Å; E204-R224 IonicContact OE2-NH2 2.69Å; T214-R224 WeakPolarHBondContact O-CG 3.31Å; T214-R224 PolarHBondContact O-NE 3.3Å; T214-R224 PolarHBondContact OG1-NE 2.78Å; D215-R224 VanDerWaalsContact CG-NH1 3.34Å; D215-R224 IonicContact OD1-CZ 3.88Å; D215-R224 IonicContact OD1-NH1 3.21Å; D215-R224 PolarHBondContact OD1-NH1 3.22Å; D215-R224 IonicContact OD2-NH1 2.79Å; L219-R224 HydrophobicContact CB-CG 3.93Å; P220-R224 PolarHBondContact O-N 3.34Å; P220-R224 VanDerWaalsContact O-N 3.11Å; P221-R224 PolarHBondContact O-N 3.42Å; R224-K226 VanDerWaalsContact C-N 3.32Å; R224-K226 PolarHBondContact O-N 3.12Å; R224-L227 PolarHBondContact O-N 2.9Å; R224-I228 VanDerWaalsContact O-CG1 3.29Å; R224-I228 WeakPolarHBondContact O-CG1 3.34Å; R224-I228 PolarHBondContact O-N 2.98Å |
| 225 | Q | 95.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.8 | -44 | 174.1 | -177.5 | -169.5 | -10.2 | 0 | 0 | 112 | I171 T172 R174 S177 L178 I203 P221 L227 I228 G229 | I171-Q225 HydrophobicContact CG2-CG 4.29Å; T172-Q225 PolarHBondContact O-NE2 3.32Å; R174-Q225 PolarHBondContact O-NE2 3.32Å; S177-Q225 PolarHBondContact OG-NE2 3.04Å; L178-Q225 HydrophobicContact CD2-CG 4.5Å; I203-Q225 HydrophobicContact CD1-CB 4.49Å; I203-Q225 HydrophobicContact CD1-CG 4.36Å; P221-Q225 PolarHBondContact O-N 3.38Å; Q225-L227 PolarHBondContact O-N 3.43Å; Q225-I228 PolarHBondContact O-N 3.21Å; Q225-G229 PolarHBondContact O-N 3.19Å |
| 226 | K | 94.7 | Very high | 95.3 | Very high | 101 Ų | 101 | 55.8 Ų | 55.8 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 179.3 | -175.9 | 175.5 | 174.5 | 179.2 | 0 | 111.5 | T173 S222 K223 R224 Q230 | T173-K226 HydrophobicContact CG2-CG 3.82Å; S222-K226 PolarHBondContact O-N 2.85Å; K223-K226 WeakPolarHBondContact O-CB 3.46Å; K223-K226 PolarHBondContact O-N 2.85Å; K223-K226 VanDerWaalsContact O-N 3.16Å; R224-K226 VanDerWaalsContact C-N 3.32Å; R224-K226 PolarHBondContact O-N 3.12Å; K226-Q230 WeakPolarHBondContact O-CG 3.26Å; K226-Q230 PolarHBondContact O-N 2.85Å; K226-Q230 PolarHBondContact O-OE1 3.43Å |
| 227 | L | 95.6 | Very high | 95.3 | Very high | 97 Ų | 97 | 52.6 Ų | 52.6 | 51% | 0.508 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -50.8 | 177.9 | -66.7 | 173.7 | 0 | 0 | 0 | 111.4 | L219 K223 R224 Q225 G229 Q230 G231 | L219-L227 HydrophobicContact CD1-CD1 3.77Å; K223-L227 WeakPolarHBondContact O-CG 3.29Å; K223-L227 PolarHBondContact O-N 2.85Å; R224-L227 PolarHBondContact O-N 2.9Å; Q225-L227 PolarHBondContact O-N 3.43Å; L227-G229 PolarHBondContact O-N 3.28Å; L227-Q230 PolarHBondContact O-N 3.1Å; L227-G231 PolarHBondContact O-N 2.96Å |
| 228 | I | 96.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | -177.8 | -57.3 | 162.8 | 0 | 0 | 0 | 111 | I203 E204 F207 L209 T214 R224 Q225 Q230 G231 | I203-I228 HydrophobicContact CB-CD1 4.35Å; I203-I228 HydrophobicContact CG2-CB 4.18Å; I203-I228 HydrophobicContact CG2-CD1 3.99Å; I203-I228 HydrophobicContact CG2-CG2 3.8Å; E204-I228 HydrophobicContact CG-CD1 3.66Å; F207-I228 HydrophobicContact CB-CG2 3.86Å; F207-I228 HydrophobicContact CD1-CG2 3.79Å; F207-I228 HydrophobicContact CD2-CG2 3.42Å; F207-I228 VanDerWaalsContact CD2-CG2 3.42Å; F207-I228 HydrophobicContact CE1-CG2 4.14Å; F207-I228 WeakPolarHBondContact CE1-O 3.14Å; F207-I228 HydrophobicContact CE2-CG2 3.81Å; F207-I228 HydrophobicContact CG-CG2 3.4Å; F207-I228 VanDerWaalsContact CG-CG2 3.4Å; F207-I228 HydrophobicContact CZ-CG2 4.15Å; L209-I228 HydrophobicContact CD1-CG1 4.05Å; L209-I228 HydrophobicContact CD1-CG2 4.07Å; T214-I228 HydrophobicContact CG2-CD1 3.92Å; T214-I228 HydrophobicContact CG2-CG1 3.59Å; R224-I228 VanDerWaalsContact O-CG1 3.29Å; R224-I228 WeakPolarHBondContact O-CG1 3.34Å; R224-I228 PolarHBondContact O-N 2.98Å; Q225-I228 PolarHBondContact O-N 3.21Å; I228-Q230 PolarHBondContact O-N 3.05Å; I228-Q230 VanDerWaalsContact O-N 3.16Å; I228-G231 PolarHBondContact O-N 3.14Å |
| 229 | G | 93.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.7 | -28.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R108 Q225 L227 | R108-G229 PolarHBondContact NH1-O 3.16Å; R108-G229 PolarHBondContact NH2-O 3.02Å; Q225-G229 PolarHBondContact O-N 3.19Å; L227-G229 PolarHBondContact O-N 3.28Å |
| 230 | Q | 93 | Very high | 95.4 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -86.7 | -18.7 | 174.2 | -64 | -179.7 | -75.2 | 0 | 0 | 113.2 | T173 K226 L227 I228 | T173-Q230 HydrophobicContact CG2-CG 3.43Å; T173-Q230 VanDerWaalsContact CG2-CG 3.43Å; K226-Q230 WeakPolarHBondContact O-CG 3.26Å; K226-Q230 PolarHBondContact O-N 2.85Å; K226-Q230 PolarHBondContact O-OE1 3.43Å; L227-Q230 PolarHBondContact O-N 3.1Å; I228-Q230 PolarHBondContact O-N 3.05Å; I228-Q230 VanDerWaalsContact O-N 3.16Å |
| 231 | G | 94.9 | Very high | 95.4 | Very high | 28 Ų | 28 | 51.3 Ų | 51.3 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -72.3 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R108 L227 I228 | R108-G231 PolarHBondContact NH2-O 3.22Å; L227-G231 PolarHBondContact O-N 2.96Å; I228-G231 PolarHBondContact O-N 3.14Å |
| 232 | W | 96.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 21% | 0.205 | 27% | 0.27 | C | S | . | . | trans | -84.7 | 153.2 | 174.2 | -65.2 | -21 | 0 | 0 | 0 | 112.4 | I17 E74 I234 V237 | I17-W232 HydrophobicContact CB-CH2 4Å; I17-W232 HydrophobicContact CB-CZ3 4.4Å; I17-W232 HydrophobicContact CD1-CH2 4.41Å; I17-W232 HydrophobicContact CD1-CZ3 4.09Å; E74-W232 HydrophobicContact CB-CZ2 3.85Å; E74-W232 PolarHBondContact OE2-NE1 2.96Å; W232-I234 PolarHBondContact O-N 3.25Å; W232-V237 HydrophobicContact CB-CG2 3.59Å; W232-V237 HydrophobicContact CD2-CG2 3.96Å; W232-V237 HydrophobicContact CE3-CB 4.49Å; W232-V237 HydrophobicContact CE3-CG1 4.08Å; W232-V237 HydrophobicContact CE3-CG2 3.61Å; W232-V237 HydrophobicContact CG-CG2 4.02Å; W232-V237 HydrophobicContact CZ3-CG1 4.34Å; W232-V237 HydrophobicContact CZ3-CG2 4.48Å | ||
| 233 | T | 96.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | trans | -75.4 | 108.4 | 167.8 | -55 | 0 | 0 | 0 | 0 | 108.5 | S100 V236 V237 | S100-T233 WeakPolarHBondContact OG-CB 3.08Å; S100-T233 PolarHBondContact OG-OG1 2.64Å; T233-V236 HydrophobicContact CG2-CG2 3.95Å; T233-V236 WeakPolarHBondContact O-CB 3.25Å; T233-V236 PolarHBondContact O-N 3.34Å; T233-V237 PolarHBondContact O-N 2.78Å | ||
| 234 | I | 97.1 | Very high | 95.4 | Very high | 71 Ų | 71 | 49 Ų | 49 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.1 | -44.7 | -171.5 | -58.7 | -57.7 | 0 | 0 | 0 | 112.8 | F207 G208 L209 W232 V236 V237 K238 | F207-I234 WeakPolarHBondContact O-CB 3.3Å; F207-I234 WeakPolarHBondContact O-CG1 3.37Å; F207-I234 PolarHBondContact O-N 2.88Å; G208-I234 WeakPolarHBondContact O-CB 3.25Å; L209-I234 HydrophobicContact CD2-CD1 4.04Å; L209-I234 HydrophobicContact CD2-CG1 3.79Å; L209-I234 HydrophobicContact CG-CG1 4.24Å; W232-I234 PolarHBondContact O-N 3.25Å; I234-V236 VanDerWaalsContact C-N 3.26Å; I234-V236 PolarHBondContact O-N 3.21Å; I234-V237 PolarHBondContact O-N 3.37Å; I234-K238 VanDerWaalsContact O-CB 3.3Å; I234-K238 WeakPolarHBondContact O-CB 3.28Å; I234-K238 PolarHBondContact O-N 2.72Å |
| 235 | P | 94.8 | Very high | 95.3 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 26% | 0.26 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.4 | -34.4 | 175.9 | -32 | 38.6 | 0 | 0 | 0 | 114.8 | F103 F207 H239 | F103-P235 HydrophobicContact CB-CB 3.76Å; F103-P235 HydrophobicContact CD1-CB 4.33Å; F103-P235 HydrophobicContact CG-CB 4.46Å; F207-P235 WeakPolarHBondContact O-CD 2.89Å; P235-H239 WeakPolarHBondContact O-CB 3.4Å; P235-H239 PolarHBondContact O-N 3.44Å |
| 236 | V | 94.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -49.7 | 177.1 | 174 | 0 | 0 | 0 | 0 | 109.8 | Y98 F103 F112 T233 I234 K238 H239 I240 | Y98-V236 HydrophobicContact CD1-CG1 3.85Å; Y98-V236 HydrophobicContact CG-CG1 3.96Å; F103-V236 HydrophobicContact CB-CG2 4.15Å; F103-V236 HydrophobicContact CD2-CG2 3.59Å; F103-V236 HydrophobicContact CE2-CG2 4.09Å; F103-V236 HydrophobicContact CG-CG2 3.86Å; F112-V236 HydrophobicContact CE2-CG1 3.84Å; F112-V236 HydrophobicContact CZ-CG1 3.91Å; T233-V236 HydrophobicContact CG2-CG2 3.95Å; T233-V236 WeakPolarHBondContact O-CB 3.25Å; T233-V236 PolarHBondContact O-N 3.34Å; I234-V236 VanDerWaalsContact C-N 3.26Å; I234-V236 PolarHBondContact O-N 3.21Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 2.72Å; V236-H239 WeakPolarHBondContact O-CB 3.44Å; V236-H239 PolarHBondContact O-N 3.21Å; V236-H239 VanDerWaalsContact O-N 3.13Å; V236-I240 HydrophobicContact CG1-CD1 3.9Å; V236-I240 WeakPolarHBondContact O-CG1 3.36Å; V236-I240 PolarHBondContact O-N 3.31Å |
| 237 | V | 95.9 | Very high | 95.2 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | W232 T233 I234 H239 I240 M241 | W232-V237 HydrophobicContact CB-CG2 3.59Å; W232-V237 HydrophobicContact CD2-CG2 3.96Å; W232-V237 HydrophobicContact CE3-CB 4.49Å; W232-V237 HydrophobicContact CE3-CG1 4.08Å; W232-V237 HydrophobicContact CE3-CG2 3.61Å; W232-V237 HydrophobicContact CG-CG2 4.02Å; W232-V237 HydrophobicContact CZ3-CG1 4.34Å; W232-V237 HydrophobicContact CZ3-CG2 4.48Å; T233-V237 PolarHBondContact O-N 2.78Å; I234-V237 PolarHBondContact O-N 3.37Å; V237-H239 VanDerWaalsContact C-N 3.27Å; V237-H239 PolarHBondContact O-N 3.44Å; V237-I240 PolarHBondContact O-N 2.8Å; V237-M241 HydrophobicContact CG1-CE 3.69Å; V237-M241 HydrophobicContact CG1-CG 4.17Å; V237-M241 HydrophobicContact CG1-SD 3.62Å; V237-M241 WeakPolarHBondContact O-CB 3.02Å; V237-M241 WeakPolarHBondContact O-CG 3.43Å; V237-M241 PolarHBondContact O-N 2.92Å |
| 238 | K | 95 | Very high | 95.2 | Very high | 157 Ų | 157 | 58.4 Ų | 58.4 | 68% | 0.683 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.8 | -40.6 | 173.8 | -177 | 176.7 | -178 | 175.3 | 0 | 111.7 | I234 V236 R242 | I234-K238 VanDerWaalsContact O-CB 3.3Å; I234-K238 WeakPolarHBondContact O-CB 3.28Å; I234-K238 PolarHBondContact O-N 2.72Å; V236-K238 VanDerWaalsContact C-N 3.34Å; V236-K238 PolarHBondContact O-N 2.72Å; K238-R242 PolarHBondContact O-N 3.29Å; K238-R242 VanDerWaalsContact O-N 3.16Å |
| 239 | H | 94.3 | Very high | 95.1 | Very high | 53 Ų | 53 | 68.2 Ų | 68.2 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.6 | -49.6 | 176.3 | -178.7 | 89.4 | 0 | 0 | 0 | 111.7 | Y98 F103 P235 V236 V237 M241 R242 | Y98-H239 AromaticContact CE1-CD2 3.87Å; F103-H239 HydrophobicContact CD1-CB 4.45Å; F103-H239 HydrophobicContact CE1-CB 3.61Å; F103-H239 AromaticContact CE1-CG 3.69Å; F103-H239 AromaticContact CE1-ND1 3.95Å; F103-H239 HydrophobicContact CZ-CB 4.24Å; P235-H239 WeakPolarHBondContact O-CB 3.4Å; P235-H239 PolarHBondContact O-N 3.44Å; V236-H239 WeakPolarHBondContact O-CB 3.44Å; V236-H239 PolarHBondContact O-N 3.21Å; V236-H239 VanDerWaalsContact O-N 3.13Å; V237-H239 VanDerWaalsContact C-N 3.27Å; V237-H239 PolarHBondContact O-N 3.44Å; H239-M241 PolarHBondContact O-N 3.41Å; H239-R242 WeakPolarHBondContact O-CB 3Å; H239-R242 PolarHBondContact O-N 3.24Å |
| 240 | I | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.2 | -47.8 | 179 | -68.2 | 167.3 | 0 | 0 | 0 | 110.7 | L72 Y98 F112 I116 M119 V236 V237 R242 P243 | L72-I240 HydrophobicContact CD1-CG2 3.87Å; L72-I240 HydrophobicContact CD2-CG2 4.11Å; Y98-I240 HydrophobicContact CD1-CD1 4.28Å; Y98-I240 HydrophobicContact CD1-CG1 4.26Å; Y98-I240 HydrophobicContact CD2-CD1 4.01Å; Y98-I240 HydrophobicContact CD2-CG1 4.46Å; Y98-I240 HydrophobicContact CE1-CD1 4.12Å; Y98-I240 HydrophobicContact CE1-CG1 3.65Å; Y98-I240 HydrophobicContact CE2-CD1 3.87Å; Y98-I240 HydrophobicContact CE2-CG1 3.91Å; Y98-I240 HydrophobicContact CG-CD1 4.2Å; Y98-I240 VanDerWaalsContact CZ-CG1 3.45Å; F112-I240 HydrophobicContact CB-CD1 4.32Å; F112-I240 HydrophobicContact CD1-CD1 3.66Å; F112-I240 HydrophobicContact CD2-CD1 3.85Å; F112-I240 HydrophobicContact CE1-CD1 3.8Å; F112-I240 HydrophobicContact CE2-CD1 3.98Å; F112-I240 HydrophobicContact CG-CD1 3.67Å; F112-I240 HydrophobicContact CZ-CD1 3.95Å; I116-I240 HydrophobicContact CB-CG2 4.27Å; I116-I240 HydrophobicContact CG1-CG2 4.27Å; I116-I240 HydrophobicContact CG2-CG2 4.33Å; I116-I240 WeakPolarHBondContact CG2-O 3.47Å; M119-I240 HydrophobicContact CB-CG2 4.18Å; V236-I240 HydrophobicContact CG1-CD1 3.9Å; V236-I240 WeakPolarHBondContact O-CG1 3.36Å; V236-I240 PolarHBondContact O-N 3.31Å; V237-I240 PolarHBondContact O-N 2.8Å; I240-R242 VanDerWaalsContact C-N 3.33Å; I240-R242 PolarHBondContact O-N 3.11Å; I240-P243 VanDerWaalsContact O-CD 3.27Å; I240-P243 WeakPolarHBondContact O-CD 3.48Å |
| 241 | M | 95.7 | Very high | 94.7 | Very high | 41 Ų | 41 | 78.7 Ų | 78.7 | 20% | 0.202 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -80.8 | -8.7 | -173.6 | -67.5 | -176.4 | 173.6 | 0 | 0 | 114.3 | I17 L72 V237 H239 P243 L244 | I17-M241 HydrophobicContact CD1-CE 4.44Å; I17-M241 HydrophobicContact CG2-CE 3.66Å; L72-M241 HydrophobicContact CD2-CE 3.88Å; V237-M241 HydrophobicContact CG1-CE 3.69Å; V237-M241 HydrophobicContact CG1-CG 4.17Å; V237-M241 HydrophobicContact CG1-SD 3.62Å; V237-M241 WeakPolarHBondContact O-CB 3.02Å; V237-M241 WeakPolarHBondContact O-CG 3.43Å; V237-M241 PolarHBondContact O-N 2.92Å; H239-M241 PolarHBondContact O-N 3.41Å; M241-P243 VanDerWaalsContact C-CD 3.41Å; M241-P243 VanDerWaalsContact C-N 3.33Å; M241-L244 HydrophobicContact CB-CD1 4.28Å; M241-L244 HydrophobicContact CG-CD1 4.4Å; M241-L244 VanDerWaalsContact O-CB 3.25Å; M241-L244 WeakPolarHBondContact O-CB 3.32Å; M241-L244 WeakPolarHBondContact O-CG 3.42Å; M241-L244 PolarHBondContact O-N 3.2Å |
| 242 | R | 94.2 | Very high | 93.5 | Very high | 173 Ų | 173 | 86.4 Ų | 86.4 | 65% | 0.653 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -51.2 | -42.4 | -176.2 | -175 | 176.1 | -176.5 | 166.6 | 1.1 | 114 | K238 H239 I240 L244 Q245 | K238-R242 PolarHBondContact O-N 3.29Å; K238-R242 VanDerWaalsContact O-N 3.16Å; H239-R242 WeakPolarHBondContact O-CB 3Å; H239-R242 PolarHBondContact O-N 3.24Å; I240-R242 VanDerWaalsContact C-N 3.33Å; I240-R242 PolarHBondContact O-N 3.11Å; R242-L244 PolarHBondContact O-N 3.03Å; R242-L244 VanDerWaalsContact O-N 3.16Å; R242-Q245 WeakPolarHBondContact O-CB 3.43Å; R242-Q245 WeakPolarHBondContact O-CG 3.36Å; R242-Q245 PolarHBondContact O-N 3.37Å |
| 243 | P | 94.6 | Very high | 93.4 | Very high | 37 Ų | 37 | 88.1 Ų | 88.1 | 24% | 0.24 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -63.6 | -20.1 | -178.9 | -27.1 | 41 | 0 | 0 | 0 | 114.4 | P117 I240 M241 Q245 N246 F247 | P117-P243 HydrophobicContact CB-CB 4.06Å; P117-P243 WeakPolarHBondContact O-CG 3.48Å; I240-P243 VanDerWaalsContact O-CD 3.27Å; I240-P243 WeakPolarHBondContact O-CD 3.48Å; M241-P243 VanDerWaalsContact C-CD 3.41Å; M241-P243 VanDerWaalsContact C-N 3.33Å; P243-Q245 PolarHBondContact O-N 3.06Å; P243-Q245 VanDerWaalsContact O-N 3.17Å; P243-N246 PolarHBondContact O-N 3.22Å; P243-N246 VanDerWaalsContact O-N 3.12Å; P243-F247 WeakPolarHBondContact O-CD2 3.18Å |
| 244 | L | 95.9 | Very high | 93.2 | Very high | 14 Ų | 14 | 92.3 Ų | 92.3 | 7% | 0.073 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -62.3 | -21.4 | 176.6 | -59.9 | -174.3 | 0 | 0 | 0 | 112.7 | L15 F70 I116 M241 R242 N246 F247 F248 | L15-L244 HydrophobicContact CD1-CD1 4.18Å; L15-L244 HydrophobicContact CD2-CD1 4.02Å; F70-L244 HydrophobicContact CB-CD2 4.27Å; F70-L244 HydrophobicContact CD1-CD2 3.82Å; F70-L244 HydrophobicContact CD2-CD2 3.78Å; F70-L244 HydrophobicContact CE1-CD2 4.05Å; F70-L244 HydrophobicContact CE2-CD2 4Å; F70-L244 HydrophobicContact CG-CD2 3.67Å; F70-L244 HydrophobicContact CZ-CD2 4.13Å; I116-L244 HydrophobicContact CD1-CD1 4.14Å; I116-L244 HydrophobicContact CD1-CD2 4.06Å; I116-L244 HydrophobicContact CD1-CG 4.44Å; I116-L244 HydrophobicContact CG2-CD2 4.18Å; I116-L244 HydrophobicContact CG2-CG 4.26Å; M241-L244 HydrophobicContact CB-CD1 4.28Å; M241-L244 HydrophobicContact CG-CD1 4.4Å; M241-L244 VanDerWaalsContact O-CB 3.25Å; M241-L244 WeakPolarHBondContact O-CB 3.32Å; M241-L244 WeakPolarHBondContact O-CG 3.42Å; M241-L244 PolarHBondContact O-N 3.2Å; R242-L244 PolarHBondContact O-N 3.03Å; R242-L244 VanDerWaalsContact O-N 3.16Å; L244-N246 PolarHBondContact O-N 3.4Å; L244-N246 VanDerWaalsContact O-N 3.1Å; L244-F247 PolarHBondContact O-N 3.01Å; L244-F248 HydrophobicContact CB-CD2 4.09Å; L244-F248 HydrophobicContact CB-CE2 4.24Å; L244-F248 HydrophobicContact CD2-CE2 4.37Å; L244-F248 WeakPolarHBondContact O-CD2 3.48Å; L244-F248 PolarHBondContact O-N 3.28Å |
| 245 | Q | 94.7 | Very high | 93 | Very high | 98 Ų | 98 | 93.5 Ų | 93.5 | 46% | 0.458 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -60.5 | -19 | 174.7 | -66 | -180 | 13.8 | 0 | 0 | 113.8 | R242 P243 | R242-Q245 WeakPolarHBondContact O-CB 3.43Å; R242-Q245 WeakPolarHBondContact O-CG 3.36Å; R242-Q245 PolarHBondContact O-N 3.37Å; P243-Q245 PolarHBondContact O-N 3.06Å; P243-Q245 VanDerWaalsContact O-N 3.17Å |
| 246 | N | 94.8 | Very high | 92.9 | Very high | 138 Ų | 138 | 96.6 Ų | 96.6 | 74% | 0.738 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -85.7 | -10.6 | 176.1 | -62.3 | -24.4 | 0 | 0 | 0 | 113 | P243 L244 | P243-N246 PolarHBondContact O-N 3.22Å; P243-N246 VanDerWaalsContact O-N 3.12Å; L244-N246 PolarHBondContact O-N 3.4Å; L244-N246 VanDerWaalsContact O-N 3.1Å |
| 247 | F | 95.3 | Very high | 92.8 | Very high | 112 Ų | 112 | 102.5 Ų | 102.5 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | -22.7 | -175.6 | -63.7 | -90.7 | 0 | 0 | 0 | 112.9 | F70 P117 P243 L244 | F70-F247 HydrophobicContact CE2-CB 4.07Å; F70-F247 HydrophobicContact CE2-CD1 4.17Å; F70-F247 HydrophobicContact CE2-CD2 4.47Å; F70-F247 AromaticContact CE2-CG 3.98Å; F70-F247 HydrophobicContact CE2-CG 3.98Å; F70-F247 HydrophobicContact CZ-CB 4.37Å; F70-F247 AromaticContact CZ-CD1 3.75Å; F70-F247 HydrophobicContact CZ-CD1 3.75Å; F70-F247 HydrophobicContact CZ-CD2 4.03Å; F70-F247 AromaticContact CZ-CE1 3.97Å; F70-F247 HydrophobicContact CZ-CE1 3.97Å; F70-F247 HydrophobicContact CZ-CE2 4.24Å; F70-F247 AromaticContact CZ-CG 3.78Å; F70-F247 HydrophobicContact CZ-CG 3.78Å; F70-F247 HydrophobicContact CZ-CZ 4.21Å; P117-F247 HydrophobicContact CG-CE2 3.91Å; P117-F247 HydrophobicContact CG-CZ 4.08Å; P243-F247 WeakPolarHBondContact O-CD2 3.18Å; L244-F247 PolarHBondContact O-N 3.01Å |
| 248 | F | 95.3 | Very high | 92.6 | Very high | 78 Ų | 78 | 108.3 Ų | 108.3 | 34% | 0.342 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -120.7 | 155.3 | -174.9 | -61 | -72.7 | 0 | 0 | 0 | 112.4 | D14 F70 L244 R250 | D14-F248 HydrophobicContact CB-CE1 3.54Å; D14-F248 HydrophobicContact CB-CZ 3.7Å; F70-F248 AromaticContact CD2-CE2 3.79Å; F70-F248 HydrophobicContact CD2-CE2 3.79Å; F70-F248 AromaticContact CD2-CZ 3.78Å; F70-F248 HydrophobicContact CD2-CZ 3.78Å; F70-F248 AromaticContact CE2-CE2 3.92Å; F70-F248 HydrophobicContact CE2-CE2 3.92Å; F70-F248 AromaticContact CE2-CZ 3.99Å; F70-F248 HydrophobicContact CE2-CZ 3.99Å; L244-F248 HydrophobicContact CB-CD2 4.09Å; L244-F248 HydrophobicContact CB-CE2 4.24Å; L244-F248 HydrophobicContact CD2-CE2 4.37Å; L244-F248 WeakPolarHBondContact O-CD2 3.48Å; L244-F248 PolarHBondContact O-N 3.28Å; F248-R250 PolarHBondContact O-N 2.72Å |
| 249 | K | 94.2 | Very high | 92.4 | Very high | 210 Ų | 210 | 104.8 Ų | 104.8 | 91% | 0.913 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 132.1 | 174.4 | -174.3 | 175.6 | -179.7 | -178.6 | 0 | 109.6 | ||
| 250 | R | 91 | Very high | 92.2 | Very high | 179 Ų | 179 | 108.8 Ų | 108.8 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 133.4 | 172.2 | -63.5 | 178 | -68.5 | 178.4 | -0 | 108.3 | F248 | F248-R250 PolarHBondContact O-N 2.72Š|
| 251 | T | 86.8 | Confident | 92 | Very high | 141 Ų | 141 | 117.7 Ų | 117.7 | 87% | 0.865 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -74 | 123.5 | 163.3 | 46 | 0 | 0 | 0 | 0 | 107.6 | ||
| 252 | S | 71.1 | Confident | 91.6 | Very high | 191 Ų | 191 | 124.6 Ų | 124.6 | 100% | 1.336 | 62% | 0.617 | S | S | * | * | trans | -63.1 | 0 | 173.5 | 53.2 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 252 of 252 residues in 690.3 ms
(Link to these results)