| 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 | E | 65.7 | Low | 73.4 | Confident | 186 Ų | 186 | 114.1 Ų | 114.1 | 87% | 0.869 | 58% | 0.577 | S | S | * | * | 0 | -80.5 | 0 | -66.8 | -173.2 | 177 | 0 | 0 | 113.6 | L3 E4 Q5 | E1-L3 PolarHBondContact O-N 2.71Å; E1-E4 WeakPolarHBondContact CA-OE2 3.41Å; E1-E4 PolarHBondContact N-OE2 3.45Å; E1-E4 PolarHBondContact O-N 3.3Å; E1-Q5 WeakPolarHBondContact O-CG 3.45Å; E1-Q5 PolarHBondContact O-N 2.82Å | |||
| 2 | L | 72.4 | Confident | 75.4 | Confident | 147 Ų | 147 | 106.8 Ų | 106.8 | 77% | 0.77 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.2 | -41.8 | -177.5 | -88.1 | 159 | 0 | 0 | 0 | 114.5 | Q5 E6 | L2-Q5 PolarHBondContact O-N 3.21Å; L2-E6 PolarHBondContact O-N 3.42Å |
| 3 | L | 68.2 | Low | 77.1 | Confident | 128 Ų | 128 | 100 Ų | 100 | 67% | 0.67 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -35.9 | 176.5 | -74 | 165.1 | 0 | 0 | 0 | 112.4 | E1 E6 H7 | E1-L3 PolarHBondContact O-N 2.71Å; L3-E6 WeakPolarHBondContact O-CB 3.41Å; L3-E6 PolarHBondContact O-N 3.27Å; L3-H7 PolarHBondContact O-CD2 3.22Å; L3-H7 PolarHBondContact O-N 3.44Å |
| 4 | E | 68.9 | Low | 78.5 | Confident | 130 Ų | 130 | 93.9 Ų | 93.9 | 61% | 0.607 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -71.3 | -35.2 | 178.2 | -70.2 | 160.5 | 149 | 0 | 0 | 111.1 | E1 E6 H7 T8 | E1-E4 WeakPolarHBondContact CA-OE2 3.41Å; E1-E4 PolarHBondContact N-OE2 3.45Å; E1-E4 PolarHBondContact O-N 3.3Å; E4-E6 VanDerWaalsContact C-N 3.28Å; E4-E6 PolarHBondContact O-N 3.39Å; E4-H7 PolarHBondContact O-N 3.19Å; E4-T8 PolarHBondContact O-N 3.01Å |
| 5 | Q | 65.6 | Low | 79.5 | Confident | 121 Ų | 121 | 92.7 Ų | 92.7 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.3 | -37.9 | 171.5 | -73.3 | 176.8 | -32.4 | 0 | 0 | 111.7 | E1 L2 H7 T8 | E1-Q5 WeakPolarHBondContact O-CG 3.45Å; E1-Q5 PolarHBondContact O-N 2.82Å; L2-Q5 PolarHBondContact O-N 3.21Å; Q5-H7 VanDerWaalsContact C-N 3.32Å; Q5-H7 PolarHBondContact O-N 2.78Å; Q5-T8 PolarHBondContact O-N 3.37Å; Q5-T8 PolarHBondContact O-OG1 2.88Å |
| 6 | E | 67.1 | Low | 80.5 | Confident | 91 Ų | 91 | 90.8 Ų | 90.8 | 43% | 0.425 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.1 | -36.1 | 177.2 | -161.5 | -175.3 | 167.9 | 0 | 0 | 112.6 | L2 L3 E4 T8 Q9 K31 | L2-E6 PolarHBondContact O-N 3.42Å; L3-E6 WeakPolarHBondContact O-CB 3.41Å; L3-E6 PolarHBondContact O-N 3.27Å; E4-E6 VanDerWaalsContact C-N 3.28Å; E4-E6 PolarHBondContact O-N 3.39Å; E6-T8 VanDerWaalsContact C-N 3.26Å; E6-T8 PolarHBondContact O-N 3.15Å; E6-Q9 PolarHBondContact O-N 3.35Å; E6-K31 IonicContact OE1-NZ 2.73Å; E6-K31 PolarHBondContact OE1-NZ 3.06Å |
| 7 | H | 65.4 | Low | 81.3 | Confident | 166 Ų | 166 | 90.6 Ų | 90.6 | 77% | 0.769 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -74.1 | -13.8 | 177.8 | -77.7 | -71 | 0 | 0 | 0 | 114.3 | L3 E4 Q5 | L3-H7 PolarHBondContact O-CD2 3.22Å; L3-H7 PolarHBondContact O-N 3.44Å; E4-H7 PolarHBondContact O-N 3.19Å; Q5-H7 VanDerWaalsContact C-N 3.32Å; Q5-H7 PolarHBondContact O-N 2.78Å |
| 8 | T | 68.6 | Low | 82.2 | Confident | 115 Ų | 115 | 88.8 Ų | 88.8 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | 3.8 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | E4 Q5 E6 G10 | E4-T8 PolarHBondContact O-N 3.01Å; Q5-T8 PolarHBondContact O-N 3.37Å; Q5-T8 PolarHBondContact O-OG1 2.88Å; E6-T8 VanDerWaalsContact C-N 3.26Å; E6-T8 PolarHBondContact O-N 3.15Å; T8-G10 PolarHBondContact O-N 2.97Å |
| 9 | Q | 78.2 | Confident | 82.9 | Confident | 56 Ų | 56 | 86.7 Ų | 86.7 | 26% | 0.262 | 46% | 0.461 | S | S | . | . | trans | -72.5 | 131.3 | -177.6 | -71.4 | 178.2 | -18.2 | 0 | 0 | 111.1 | E6 L29 M30 | E6-Q9 PolarHBondContact O-N 3.35Å; Q9-L29 PolarHBondContact OE1-O 2.79Å; Q9-M30 HydrophobicContact CG-SD 4.26Å; Q9-M30 PolarHBondContact NE2-SD 3.03Å; Q9-M30 VanDerWaalsContact NE2-SD 3.44Å | ||
| 10 | G | 91.1 | Very high | 83.5 | Confident | 33 Ų | 33 | 83.4 Ų | 83.4 | 34% | 0.34 | 44% | 0.443 | S | S | . | . | trans | -71.5 | 179.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | T8 L29 | T8-G10 PolarHBondContact O-N 2.97Å; G10-L29 VanDerWaalsContact O-CB 3.32Å; G10-L29 WeakPolarHBondContact O-CB 3.08Å; G10-L29 WeakPolarHBondContact O-CG 3.49Å; G10-L29 PolarHBondContact O-N 3.23Å | ||
| 11 | F | 96.3 | Very high | 84.1 | Confident | 82 Ų | 82 | 85.3 Ų | 85.3 | 36% | 0.36 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 156.9 | -179.8 | 41.9 | -98.2 | 0 | 0 | 0 | 110.3 | I13 G25 V27 V63 | F11-I13 HydrophobicContact CD2-CG2 3.6Å; F11-I13 HydrophobicContact CE2-CG2 3.5Å; F11-G25 WeakPolarHBondContact CD2-O 3.42Å; F11-G25 VanDerWaalsContact CE2-O 3.28Å; F11-G25 WeakPolarHBondContact CE2-O 3.5Å; F11-V27 CarbonylContact C-O 3.59Å; F11-V27 VanDerWaalsContact CA-O 3.23Å; F11-V27 WeakPolarHBondContact CA-O 3.41Å; F11-V27 WeakPolarHBondContact CB-O 3.11Å; F11-V63 WeakPolarHBondContact O-CG1 3.46Å |
| 12 | I | 97.9 | Very high | 85.5 | Confident | 26 Ų | 26 | 83.2 Ų | 83.2 | 13% | 0.133 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 111.7 | 165.3 | -56.3 | 169.7 | 0 | 0 | 0 | 106.5 | G26 V27 L29 L50 D53 V54 V63 | I12-G26 CarbonylContact O-C 3.49Å; I12-G26 WeakPolarHBondContact O-CA 3.43Å; I12-V27 HydrophobicContact CB-CB 4.37Å; I12-V27 PolarHBondContact N-O 3.43Å; I12-V27 PolarHBondContact O-N 3.36Å; I12-L29 HydrophobicContact CD1-CD2 4.17Å; I12-L29 HydrophobicContact CG1-CD2 3.83Å; I12-L50 HydrophobicContact CG2-CD2 4.19Å; I12-D53 HydrophobicContact CG2-CB 3.8Å; I12-V54 HydrophobicContact CD1-CB 4.13Å; I12-V54 HydrophobicContact CD1-CG2 3.89Å; I12-V54 HydrophobicContact CG1-CG2 4.22Å; I12-V54 HydrophobicContact CG2-CB 4.42Å; I12-V63 HydrophobicContact CG1-CG2 4.44Å |
| 13 | I | 97.3 | Very high | 86.5 | Confident | 19 Ų | 19 | 79.5 Ų | 79.5 | 10% | 0.097 | 43% | 0.428 | C | S | . | . | trans | -67 | 145.1 | 174.4 | 58 | 170.6 | 0 | 0 | 0 | 110.7 | F11 F15 D53 I56 F60 | F11-I13 HydrophobicContact CD2-CG2 3.6Å; F11-I13 HydrophobicContact CE2-CG2 3.5Å; I13-F15 HydrophobicContact CD1-CD1 4.48Å; I13-F15 HydrophobicContact CD1-CD2 4.47Å; I13-F15 HydrophobicContact CD1-CE1 3.97Å; I13-F15 HydrophobicContact CD1-CE2 4.01Å; I13-F15 HydrophobicContact CD1-CZ 3.7Å; I13-D53 WeakPolarHBondContact O-CB 3.19Å; I13-I56 HydrophobicContact CD1-CD1 4.23Å; I13-I56 HydrophobicContact CD1-CG2 4.32Å; I13-I56 HydrophobicContact CG1-CD1 4.02Å; I13-F60 WeakPolarHBondContact CD1-O 3.48Å | ||
| 14 | T | 95.9 | Very high | 87.6 | Confident | 14 Ų | 14 | 76.7 Ų | 76.7 | 9% | 0.086 | 43% | 0.43 | C | S | . | . | trans | -105.4 | -4.7 | 179.7 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | C16 L19 D20 V27 L50 | T14-C16 PolarHBondContact O-N 3.44Å; T14-C16 PolarHBondContact OG1-N 3.39Å; T14-L19 HydrophobicContact CG2-CD2 3.91Å; T14-L19 HydrophobicContact CG2-CG 4.38Å; T14-D20 WeakPolarHBondContact CB-OD1 3.34Å; T14-D20 WeakPolarHBondContact CG2-OD1 3.3Å; T14-D20 PolarHBondContact N-OD1 3.18Å; T14-D20 PolarHBondContact N-OD2 2.92Å; T14-D20 VanDerWaalsContact OG1-CG 3.27Å; T14-D20 PolarHBondContact OG1-OD1 3.41Å; T14-D20 PolarHBondContact OG1-OD2 3.5Å; T14-V27 HydrophobicContact CG2-CG2 4.44Å; T14-L50 HydrophobicContact CG2-CD2 3.91Å | ||
| 15 | F | 94.5 | Very high | 88.7 | Confident | 76 Ų | 76 | 71.6 Ų | 71.6 | 33% | 0.333 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 55 | 13 | -168.7 | -75.2 | -63 | 0 | 0 | 0 | 114.3 | I13 D20 I56 H91 L92 I95 | I13-F15 HydrophobicContact CD1-CD1 4.48Å; I13-F15 HydrophobicContact CD1-CD2 4.47Å; I13-F15 HydrophobicContact CD1-CE1 3.97Å; I13-F15 HydrophobicContact CD1-CE2 4.01Å; I13-F15 HydrophobicContact CD1-CZ 3.7Å; F15-D20 PolarHBondContact N-OD2 3.49Å; F15-I56 HydrophobicContact CD2-CD1 3.67Å; F15-I56 HydrophobicContact CE2-CD1 3.29Å; F15-I56 HydrophobicContact CE2-CG1 4.04Å; F15-I56 HydrophobicContact CE2-CG2 4.23Å; F15-I56 HydrophobicContact CZ-CD1 4.31Å; F15-I56 HydrophobicContact CZ-CG2 4.37Å; F15-H91 AromaticContact CD1-CD2 3.89Å; F15-H91 AromaticContact CD1-NE2 3.54Å; F15-H91 AromaticContact CE1-NE2 3.89Å; F15-H91 AromaticContact CG-CD2 3.89Å; F15-H91 AromaticContact CG-NE2 3.87Å; F15-L92 HydrophobicContact CE2-CD2 3.76Å; F15-L92 HydrophobicContact CZ-CD2 3.58Å; F15-I95 HydrophobicContact CE1-CD1 3.88Å; F15-I95 HydrophobicContact CZ-CD1 4.19Å |
| 16 | C | 95.4 | Very high | 90.2 | Very high | 62 Ų | 62 | 65.9 Ų | 65.9 | 42% | 0.419 | 39% | 0.386 | S | S | . | . | trans | -107.6 | 98.5 | 169.9 | 177.7 | 0 | 0 | 0 | 0 | 107.5 | T14 A18 L19 D20 | T14-C16 PolarHBondContact O-N 3.44Å; T14-C16 PolarHBondContact OG1-N 3.39Å; C16-A18 PolarHBondContact O-N 3.2Å; C16-A18 VanDerWaalsContact O-N 3.14Å; C16-L19 HydrophobicContact CB-CB 3.88Å; C16-L19 PolarHBondContact O-N 3.34Å; C16-D20 PolarHBondContact O-N 3.36Å | ||
| 17 | S | 94.2 | Very high | 91.6 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 62% | 0.622 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -53.5 | -41.5 | -174.7 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | L19 D20 D21 | S17-L19 VanDerWaalsContact C-N 3.32Å; S17-L19 PolarHBondContact O-N 3.29Å; S17-D20 PolarHBondContact O-N 3.48Å; S17-D21 VanDerWaalsContact O-CB 3.24Å; S17-D21 WeakPolarHBondContact O-CB 3.39Å; S17-D21 PolarHBondContact O-N 3.42Å |
| 18 | A | 96.7 | Very high | 93 | Very high | 57 Ų | 57 | 56.4 Ų | 56.4 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C16 I22 | C16-A18 PolarHBondContact O-N 3.2Å; C16-A18 VanDerWaalsContact O-N 3.14Å; A18-I22 WeakPolarHBondContact O-CD1 3.3Å; A18-I22 VanDerWaalsContact O-CG1 3.23Å; A18-I22 WeakPolarHBondContact O-CG1 3.28Å; A18-I22 PolarHBondContact O-N 3.45Å |
| 19 | L | 95.1 | Very high | 94.2 | Very high | 49 Ų | 49 | 53.8 Ų | 53.8 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -75.6 | -44.9 | 177.5 | -179.5 | 58.1 | 0 | 0 | 0 | 110.9 | T14 C16 S17 D21 I22 L23 L46 | T14-L19 HydrophobicContact CG2-CD2 3.91Å; T14-L19 HydrophobicContact CG2-CG 4.38Å; C16-L19 HydrophobicContact CB-CB 3.88Å; C16-L19 PolarHBondContact O-N 3.34Å; S17-L19 VanDerWaalsContact C-N 3.32Å; S17-L19 PolarHBondContact O-N 3.29Å; L19-D21 VanDerWaalsContact C-N 3.3Å; L19-D21 PolarHBondContact O-N 3.19Å; L19-I22 PolarHBondContact O-N 3.26Å; L19-L23 HydrophobicContact CD1-CD1 3.91Å; L19-L23 HydrophobicContact CD1-CG 4.21Å; L19-L23 HydrophobicContact CG-CD1 3.97Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.2Å; L19-L46 HydrophobicContact CD2-CD1 4.03Å |
| 20 | D | 95.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 59.2 Ų | 59.2 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 176.7 | -67.7 | -21.9 | 0 | 0 | 0 | 110.4 | T14 F15 C16 S17 I22 L23 G24 G25 | T14-D20 WeakPolarHBondContact CB-OD1 3.34Å; T14-D20 WeakPolarHBondContact CG2-OD1 3.3Å; T14-D20 PolarHBondContact N-OD1 3.18Å; T14-D20 PolarHBondContact N-OD2 2.92Å; T14-D20 VanDerWaalsContact OG1-CG 3.27Å; T14-D20 PolarHBondContact OG1-OD1 3.41Å; T14-D20 PolarHBondContact OG1-OD2 3.5Å; F15-D20 PolarHBondContact N-OD2 3.49Å; C16-D20 PolarHBondContact O-N 3.36Å; S17-D20 PolarHBondContact O-N 3.48Å; D20-I22 PolarHBondContact O-N 3.28Å; D20-L23 CarbonylContact O-C 3.48Å; D20-L23 PolarHBondContact O-N 3.09Å; D20-G24 PolarHBondContact O-N 3.34Å; D20-G25 PolarHBondContact O-N 3.37Å |
| 21 | D | 95.5 | Very high | 94.8 | Very high | 125 Ų | 125 | 62 Ų | 62 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.4 | -43.9 | 176.7 | -71.1 | -21.1 | 0 | 0 | 0 | 112.2 | S17 L19 L23 G24 | S17-D21 VanDerWaalsContact O-CB 3.24Å; S17-D21 WeakPolarHBondContact O-CB 3.39Å; S17-D21 PolarHBondContact O-N 3.42Å; L19-D21 VanDerWaalsContact C-N 3.3Å; L19-D21 PolarHBondContact O-N 3.19Å; D21-L23 VanDerWaalsContact C-N 3.26Å; D21-L23 PolarHBondContact O-N 3.47Å; D21-G24 PolarHBondContact O-N 3.28Å |
| 22 | I | 95.6 | Very high | 94.7 | Very high | 142 Ų | 142 | 65 Ų | 65 | 73% | 0.728 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.6 | -33.3 | 177.3 | -71.5 | 167.4 | 0 | 0 | 0 | 111.3 | A18 L19 D20 | A18-I22 WeakPolarHBondContact O-CD1 3.3Å; A18-I22 VanDerWaalsContact O-CG1 3.23Å; A18-I22 WeakPolarHBondContact O-CG1 3.28Å; A18-I22 PolarHBondContact O-N 3.45Å; L19-I22 PolarHBondContact O-N 3.26Å; D20-I22 PolarHBondContact O-N 3.28Å |
| 23 | L | 93.2 | Very high | 94.5 | Very high | 68 Ų | 68 | 66.7 Ų | 66.7 | 36% | 0.356 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -88.9 | -4.8 | 179.8 | -63 | 174.5 | 0 | 0 | 0 | 113.7 | L19 D20 D21 G26 V27 | L19-L23 HydrophobicContact CD1-CD1 3.91Å; L19-L23 HydrophobicContact CD1-CG 4.21Å; L19-L23 HydrophobicContact CG-CD1 3.97Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.2Å; D20-L23 CarbonylContact O-C 3.48Å; D20-L23 PolarHBondContact O-N 3.09Å; D21-L23 VanDerWaalsContact C-N 3.26Å; D21-L23 PolarHBondContact O-N 3.47Å; L23-G26 VanDerWaalsContact CB-O 3.26Å; L23-G26 WeakPolarHBondContact CB-O 3.39Å; L23-V27 HydrophobicContact CD1-CG2 3.84Å |
| 24 | G | 91.6 | Very high | 94.5 | Very high | 70 Ų | 70 | 73.6 Ų | 73.6 | 72% | 0.722 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 29.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | D20 D21 | D20-G24 PolarHBondContact O-N 3.34Å; D21-G24 PolarHBondContact O-N 3.28Å |
| 25 | G | 92.1 | Very high | 94.5 | Very high | 22 Ų | 22 | 75.8 Ų | 75.8 | 23% | 0.227 | 44% | 0.437 | C | S | . | . | S | Bend | trans | 130.3 | -19.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | F11 D20 | F11-G25 WeakPolarHBondContact CD2-O 3.42Å; F11-G25 VanDerWaalsContact CE2-O 3.28Å; F11-G25 WeakPolarHBondContact CE2-O 3.5Å; D20-G25 PolarHBondContact O-N 3.37Å |
| 26 | G | 96.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 76.6 Ų | 76.6 | 2% | 0.021 | 45% | 0.451 | C | S | . | . | S | Bend | trans | 148.5 | -170.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I12 L23 P28 | I12-G26 CarbonylContact O-C 3.49Å; I12-G26 WeakPolarHBondContact O-CA 3.43Å; L23-G26 VanDerWaalsContact CB-O 3.26Å; L23-G26 WeakPolarHBondContact CB-O 3.39Å; G26-P28 WeakPolarHBondContact O-CD 3.32Å |
| 27 | V | 96.9 | Very high | 94.7 | Very high | 19 Ų | 19 | 75.8 Ų | 75.8 | 12% | 0.115 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 120 | 177.7 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | F11 I12 T14 L23 T33 L50 | F11-V27 CarbonylContact C-O 3.59Å; F11-V27 VanDerWaalsContact CA-O 3.23Å; F11-V27 WeakPolarHBondContact CA-O 3.41Å; F11-V27 WeakPolarHBondContact CB-O 3.11Å; I12-V27 HydrophobicContact CB-CB 4.37Å; I12-V27 PolarHBondContact N-O 3.43Å; I12-V27 PolarHBondContact O-N 3.36Å; T14-V27 HydrophobicContact CG2-CG2 4.44Å; L23-V27 HydrophobicContact CD1-CG2 3.84Å; V27-T33 HydrophobicContact CG1-CG2 4.47Å; V27-L50 HydrophobicContact CB-CD2 4.28Å; V27-L50 HydrophobicContact CG2-CD1 3.93Å; V27-L50 HydrophobicContact CG2-CD2 3.57Å; V27-L50 HydrophobicContact CG2-CG 4.42Å |
| 28 | P | 95.2 | Very high | 94.8 | Very high | 39 Ų | 39 | 74.4 Ų | 74.4 | 25% | 0.253 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 135.2 | -171.9 | 26.3 | -34.8 | 0 | 0 | 0 | 112.6 | G26 K31 | G26-P28 WeakPolarHBondContact O-CD 3.32Å; P28-K31 HydrophobicContact CB-CB 4.25Å; P28-K31 HydrophobicContact CB-CD 4.03Å; P28-K31 HydrophobicContact CB-CG 4.29Å; P28-K31 HydrophobicContact CG-CB 4.09Å; P28-K31 HydrophobicContact CG-CD 4.27Å |
| 29 | L | 94 | Very high | 94.7 | Very high | 59 Ų | 59 | 77.7 Ų | 77.7 | 31% | 0.309 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 157.4 | 170.2 | -64.8 | 179.2 | 0 | 0 | 0 | 111.2 | Q9 G10 I12 K31 V63 | Q9-L29 PolarHBondContact OE1-O 2.79Å; G10-L29 VanDerWaalsContact O-CB 3.32Å; G10-L29 WeakPolarHBondContact O-CB 3.08Å; G10-L29 WeakPolarHBondContact O-CG 3.49Å; G10-L29 PolarHBondContact O-N 3.23Å; I12-L29 HydrophobicContact CD1-CD2 4.17Å; I12-L29 HydrophobicContact CG1-CD2 3.83Å; L29-K31 PolarHBondContact O-N 3Å; L29-V63 HydrophobicContact CD1-CG1 4.15Å |
| 30 | M | 90.2 | Very high | 94.7 | Very high | 170 Ų | 170 | 79.5 Ų | 79.5 | 84% | 0.837 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 16.1 | 179.4 | -59.6 | -178 | 148.7 | 0 | 0 | 114.6 | Q9 | Q9-M30 HydrophobicContact CG-SD 4.26Å; Q9-M30 PolarHBondContact NE2-SD 3.03Å; Q9-M30 VanDerWaalsContact NE2-SD 3.44Å |
| 31 | K | 90.6 | Very high | 94.8 | Very high | 93 Ų | 93 | 82.8 Ų | 82.8 | 40% | 0.404 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -127.6 | 152.4 | 174.8 | -57.6 | -168.8 | -168.3 | -166.8 | 0 | 109.5 | E6 P28 L29 | E6-K31 IonicContact OE1-NZ 2.73Å; E6-K31 PolarHBondContact OE1-NZ 3.06Å; P28-K31 HydrophobicContact CB-CB 4.25Å; P28-K31 HydrophobicContact CB-CD 4.03Å; P28-K31 HydrophobicContact CB-CG 4.29Å; P28-K31 HydrophobicContact CG-CB 4.09Å; P28-K31 HydrophobicContact CG-CD 4.27Å; L29-K31 PolarHBondContact O-N 3Å |
| 32 | T | 94.6 | Very high | 94.8 | Very high | 145 Ų | 145 | 78.3 Ų | 78.3 | 89% | 0.89 | 50% | 0.499 | S | S | * | . | trans | -88.1 | 124.5 | 171.3 | -57 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 33 | T | 95 | Very high | 94.9 | Very high | 60 Ų | 60 | 74.5 Ų | 74.5 | 37% | 0.368 | 48% | 0.476 | S | S | . | . | trans | -110.5 | 121.9 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 109.6 | V27 | V27-T33 HydrophobicContact CG1-CG2 4.47Š| ||
| 34 | E | 96.8 | Very high | 95.1 | Very high | 164 Ų | 164 | 73.3 Ų | 73.3 | 77% | 0.766 | 47% | 0.472 | S | S | * | . | trans | -99.1 | 127 | 177.1 | -167 | -174.8 | -179.2 | 0 | 0 | 110.4 | C36 | E34-C36 VanDerWaalsContact CG-SG 3.57Å; E34-C36 PolarHBondContact OE1-SG 2.89Å | ||
| 35 | I | 95.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 74 Ų | 74 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | trans | -106.7 | 108.1 | 176.9 | -59.2 | 160.8 | 0 | 0 | 0 | 108.4 | K43 L46 L50 | I35-K43 HydrophobicContact CG2-CB 4.19Å; I35-K43 HydrophobicContact CG2-CG 4.03Å; I35-K43 WeakPolarHBondContact O-CD 3.33Å; I35-L46 HydrophobicContact CD1-CB 4.49Å; I35-L46 HydrophobicContact CD1-CD2 3.63Å; I35-L46 HydrophobicContact CD1-CG 3.92Å; I35-L46 HydrophobicContact CG1-CD2 4.19Å; I35-L46 HydrophobicContact CG2-CD2 4.24Å; I35-L50 HydrophobicContact CD1-CD1 4.4Å | ||
| 36 | C | 96.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 75.2 Ų | 75.2 | 62% | 0.622 | 46% | 0.458 | S | S | * | . | trans | -108.3 | 152.2 | -175.7 | -68 | 0 | 0 | 0 | 0 | 113 | E34 | E34-C36 VanDerWaalsContact CG-SG 3.57Å; E34-C36 PolarHBondContact OE1-SG 2.89Å | ||
| 37 | G | 97.2 | Very high | 95.6 | Very high | 45 Ų | 45 | 77.4 Ų | 77.4 | 46% | 0.464 | 47% | 0.472 | S | S | . | . | trans | 153.4 | 172.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | K43 | G37-K43 WeakPolarHBondContact O-CE 3.35Å; G37-K43 PolarHBondContact O-NZ 3.1Å | ||
| 38 | A | 97.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 76.6 Ų | 76.6 | 50% | 0.504 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -61.2 | 162.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V41 K43 | A38-V41 HydrophobicContact CB-CG1 3.92Å; A38-V41 WeakPolarHBondContact O-CG1 3.23Å; A38-V41 WeakPolarHBondContact O-CG2 3.28Å; A38-V41 PolarHBondContact O-N 3.07Å; A38-K43 PolarHBondContact O-NZ 3.17Å |
| 39 | P | 94.8 | Very high | 95.8 | Very high | 126 Ų | 126 | 77.2 Ų | 77.2 | 82% | 0.818 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 141.8 | 169.4 | -25.3 | 35.6 | 0 | 0 | 0 | 111.6 | V41 | P39-V41 VanDerWaalsContact C-N 3.32Å; P39-V41 PolarHBondContact O-N 2.97Å |
| 40 | G | 94.9 | Very high | 96 | Very high | 86 Ų | 86 | 75.6 Ų | 75.6 | 89% | 0.887 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -5.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | G42 | G40-G42 PolarHBondContact O-N 2.94Å; G40-G42 VanDerWaalsContact O-N 3.16Å |
| 41 | V | 96.8 | Very high | 96.4 | Very high | 90 Ų | 90 | 67.8 Ų | 67.8 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -75.1 | 1.2 | -179.5 | -55.2 | 0 | 0 | 0 | 0 | 114.9 | A38 P39 K43 | A38-V41 HydrophobicContact CB-CG1 3.92Å; A38-V41 WeakPolarHBondContact O-CG1 3.23Å; A38-V41 WeakPolarHBondContact O-CG2 3.28Å; A38-V41 PolarHBondContact O-N 3.07Å; P39-V41 VanDerWaalsContact C-N 3.32Å; P39-V41 PolarHBondContact O-N 2.97Å; V41-K43 HydrophobicContact CG2-CD 4.34Å; V41-K43 HydrophobicContact CG2-CG 3.72Å |
| 42 | G | 96.4 | Very high | 96.8 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 32% | 0.32 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 99.2 | 8.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | G40 T44 Q45 L46 | G40-G42 PolarHBondContact O-N 2.94Å; G40-G42 VanDerWaalsContact O-N 3.16Å; G42-T44 PolarHBondContact O-N 3.05Å; G42-Q45 WeakPolarHBondContact O-CB 3.41Å; G42-Q45 PolarHBondContact O-N 3.43Å; G42-Q45 VanDerWaalsContact O-N 3.08Å; G42-L46 PolarHBondContact O-N 3.05Å |
| 43 | K | 97.3 | Very high | 97 | Very high | 61 Ų | 61 | 57 Ų | 57 | 27% | 0.265 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -52.2 | -54.7 | 180 | -52.8 | -173.9 | -64.6 | -72.6 | 0 | 113.1 | I35 G37 A38 V41 Q45 L46 C47 | I35-K43 HydrophobicContact CG2-CB 4.19Å; I35-K43 HydrophobicContact CG2-CG 4.03Å; I35-K43 WeakPolarHBondContact O-CD 3.33Å; G37-K43 WeakPolarHBondContact O-CE 3.35Å; G37-K43 PolarHBondContact O-NZ 3.1Å; A38-K43 PolarHBondContact O-NZ 3.17Å; V41-K43 HydrophobicContact CG2-CD 4.34Å; V41-K43 HydrophobicContact CG2-CG 3.72Å; K43-Q45 VanDerWaalsContact C-N 3.28Å; K43-Q45 PolarHBondContact O-N 2.81Å; K43-L46 PolarHBondContact O-N 3.38Å; K43-C47 PolarHBondContact O-N 2.92Å; K43-C47 PolarHBondContact O-SG 2.91Å; K43-C47 VanDerWaalsContact O-SG 3.36Å |
| 44 | T | 96.8 | Very high | 97.1 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 27% | 0.27 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 178.2 | -48.3 | 0 | 0 | 0 | 0 | 112.2 | G42 C47 M48 F69 S75 | G42-T44 PolarHBondContact O-N 3.05Å; T44-C47 PolarHBondContact O-N 2.73Å; T44-M48 HydrophobicContact CG2-CE 4.26Å; T44-M48 WeakPolarHBondContact O-CG 3.38Å; T44-M48 PolarHBondContact O-N 3.42Å; T44-F69 HydrophobicContact CG2-CZ 4.5Å; T44-S75 VanDerWaalsContact CG2-OG 3.31Å; T44-S75 WeakPolarHBondContact CG2-OG 3.4Å |
| 45 | Q | 96.9 | Very high | 97.2 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 176.5 | -68.9 | -67.9 | -37.3 | 0 | 0 | 111.1 | G42 K43 M48 Q49 | G42-Q45 WeakPolarHBondContact O-CB 3.41Å; G42-Q45 PolarHBondContact O-N 3.43Å; G42-Q45 VanDerWaalsContact O-N 3.08Å; K43-Q45 VanDerWaalsContact C-N 3.28Å; K43-Q45 PolarHBondContact O-N 2.81Å; Q45-M48 PolarHBondContact O-N 3.13Å; Q45-Q49 WeakPolarHBondContact O-CB 3.36Å; Q45-Q49 PolarHBondContact O-N 3.41Å |
| 46 | L | 97.1 | Very high | 97.3 | Very high | 48 Ų | 48 | 47.4 Ų | 47.4 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.8 | -178.3 | 56.1 | 0 | 0 | 0 | 111.6 | L19 I35 G42 K43 M48 Q49 L50 | L19-L46 HydrophobicContact CD2-CD1 4.03Å; I35-L46 HydrophobicContact CD1-CB 4.49Å; I35-L46 HydrophobicContact CD1-CD2 3.63Å; I35-L46 HydrophobicContact CD1-CG 3.92Å; I35-L46 HydrophobicContact CG1-CD2 4.19Å; I35-L46 HydrophobicContact CG2-CD2 4.24Å; G42-L46 PolarHBondContact O-N 3.05Å; K43-L46 PolarHBondContact O-N 3.38Å; L46-M48 VanDerWaalsContact C-N 3.33Å; L46-M48 PolarHBondContact O-N 2.93Å; L46-Q49 WeakPolarHBondContact O-CB 3.39Å; L46-Q49 PolarHBondContact O-N 3.34Å; L46-L50 HydrophobicContact CD1-CD1 4.38Å; L46-L50 HydrophobicContact CD1-CG 4.25Å; L46-L50 HydrophobicContact CG-CD1 4.23Å; L46-L50 WeakPolarHBondContact O-CG 3.23Å; L46-L50 PolarHBondContact O-N 3.39Å |
| 47 | C | 97.5 | Very high | 97.2 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 32% | 0.324 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 175.6 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | K43 T44 A51 F69 | K43-C47 PolarHBondContact O-N 2.92Å; K43-C47 PolarHBondContact O-SG 2.91Å; K43-C47 VanDerWaalsContact O-SG 3.36Å; T44-C47 PolarHBondContact O-N 2.73Å; C47-A51 PolarHBondContact O-N 3.29Å; C47-A51 VanDerWaalsContact O-N 3.08Å; C47-F69 HydrophobicContact CB-CE2 3.53Å; C47-F69 HydrophobicContact CB-CZ 3.89Å |
| 48 | M | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 176 | -73.8 | -173.3 | -64.3 | 0 | 0 | 112 | T44 Q45 L46 A51 V52 F69 F76 R80 V81 L84 | T44-M48 HydrophobicContact CG2-CE 4.26Å; T44-M48 WeakPolarHBondContact O-CG 3.38Å; T44-M48 PolarHBondContact O-N 3.42Å; Q45-M48 PolarHBondContact O-N 3.13Å; L46-M48 VanDerWaalsContact C-N 3.33Å; L46-M48 PolarHBondContact O-N 2.93Å; M48-A51 PolarHBondContact O-N 2.97Å; M48-V52 PolarHBondContact O-N 3.39Å; M48-F69 HydrophobicContact CG-CE2 3.95Å; M48-F69 HydrophobicContact CG-CZ 4.33Å; M48-F76 HydrophobicContact CG-CD2 4.16Å; M48-F76 HydrophobicContact CG-CE2 4.29Å; M48-F76 HydrophobicContact SD-CD2 4.33Å; M48-R80 HydrophobicContact CE-CB 4.31Å; M48-R80 HydrophobicContact CE-CG 3.71Å; M48-R80 HydrophobicContact SD-CB 4.34Å; M48-R80 HydrophobicContact SD-CG 4.24Å; M48-V81 HydrophobicContact CB-CG2 4.17Å; M48-V81 HydrophobicContact CG-CG2 4.03Å; M48-V81 HydrophobicContact SD-CG2 3.91Å; M48-L84 HydrophobicContact CB-CD1 3.89Å |
| 49 | Q | 98.3 | Very high | 97 | Very high | 53 Ų | 53 | 50.5 Ų | 50.5 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -49.9 | 173.8 | -175.8 | 63.9 | 64 | 0 | 0 | 110.9 | Q45 L46 A51 V52 D53 L84 | Q45-Q49 WeakPolarHBondContact O-CB 3.36Å; Q45-Q49 PolarHBondContact O-N 3.41Å; L46-Q49 WeakPolarHBondContact O-CB 3.39Å; L46-Q49 PolarHBondContact O-N 3.34Å; Q49-A51 VanDerWaalsContact C-N 3.25Å; Q49-A51 PolarHBondContact O-N 3.41Å; Q49-V52 CarbonylContact O-C 3.56Å; Q49-V52 WeakPolarHBondContact O-CA 3.4Å; Q49-V52 WeakPolarHBondContact O-CB 3.43Å; Q49-V52 PolarHBondContact O-N 3.4Å; Q49-D53 WeakPolarHBondContact CG-OD2 3.49Å; Q49-D53 PolarHBondContact NE2-OD1 2.96Å; Q49-D53 VanDerWaalsContact O-CG 3.26Å; Q49-D53 PolarHBondContact O-N 3.25Å; Q49-L84 HydrophobicContact CB-CD1 4.36Å; Q49-L84 VanDerWaalsContact OE1-CD2 3.28Å |
| 50 | L | 98.1 | Very high | 97 | Very high | 24 Ų | 24 | 45.9 Ų | 45.9 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -32.4 | 177.9 | -68.9 | 171.5 | 0 | 0 | 0 | 113.1 | I12 T14 V27 I35 L46 V52 D53 V54 | I12-L50 HydrophobicContact CG2-CD2 4.19Å; T14-L50 HydrophobicContact CG2-CD2 3.91Å; V27-L50 HydrophobicContact CB-CD2 4.28Å; V27-L50 HydrophobicContact CG2-CD1 3.93Å; V27-L50 HydrophobicContact CG2-CD2 3.57Å; V27-L50 HydrophobicContact CG2-CG 4.42Å; I35-L50 HydrophobicContact CD1-CD1 4.4Å; L46-L50 HydrophobicContact CD1-CD1 4.38Å; L46-L50 HydrophobicContact CD1-CG 4.25Å; L46-L50 HydrophobicContact CG-CD1 4.23Å; L46-L50 WeakPolarHBondContact O-CG 3.23Å; L46-L50 PolarHBondContact O-N 3.39Å; L50-V52 PolarHBondContact O-N 2.9Å; L50-D53 PolarHBondContact O-N 3.25Å; L50-V54 PolarHBondContact O-N 3.33Å |
| 51 | A | 98.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.5 | -26.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C47 M48 Q49 Q55 A67 F69 | C47-A51 PolarHBondContact O-N 3.29Å; C47-A51 VanDerWaalsContact O-N 3.08Å; M48-A51 PolarHBondContact O-N 2.97Å; Q49-A51 VanDerWaalsContact C-N 3.25Å; Q49-A51 PolarHBondContact O-N 3.41Å; A51-Q55 PolarHBondContact O-NE2 3.21Å; A51-A67 HydrophobicContact CB-CB 3.78Å; A51-F69 HydrophobicContact CB-CD2 4.46Å |
| 52 | V | 98.4 | Very high | 96.7 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -82.4 | -46.5 | 170 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | M48 Q49 L50 V54 Q55 V81 L84 A85 C88 | M48-V52 PolarHBondContact O-N 3.39Å; Q49-V52 CarbonylContact O-C 3.56Å; Q49-V52 WeakPolarHBondContact O-CA 3.4Å; Q49-V52 WeakPolarHBondContact O-CB 3.43Å; Q49-V52 PolarHBondContact O-N 3.4Å; L50-V52 PolarHBondContact O-N 2.9Å; V52-V54 VanDerWaalsContact C-N 3.3Å; V52-V54 PolarHBondContact O-N 3.22Å; V52-Q55 WeakPolarHBondContact O-CB 3.34Å; V52-Q55 PolarHBondContact O-N 3.06Å; V52-V81 HydrophobicContact CG2-CG1 3.82Å; V52-L84 HydrophobicContact CG2-CB 4.01Å; V52-A85 HydrophobicContact CG1-CB 4.32Å; V52-A85 HydrophobicContact CG2-CB 4.36Å; V52-C88 HydrophobicContact CG1-CB 3.82Å |
| 53 | D | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.011 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -33.5 | -173.1 | -65 | -16.7 | 0 | 0 | 0 | 113.3 | I12 I13 Q49 L50 Q55 I56 | I12-D53 HydrophobicContact CG2-CB 3.8Å; I13-D53 WeakPolarHBondContact O-CB 3.19Å; Q49-D53 WeakPolarHBondContact CG-OD2 3.49Å; Q49-D53 PolarHBondContact NE2-OD1 2.96Å; Q49-D53 VanDerWaalsContact O-CG 3.26Å; Q49-D53 PolarHBondContact O-N 3.25Å; L50-D53 PolarHBondContact O-N 3.25Å; D53-Q55 PolarHBondContact O-N 3.02Å; D53-I56 HydrophobicContact CB-CD1 3.83Å; D53-I56 VanDerWaalsContact O-CB 3.28Å; D53-I56 WeakPolarHBondContact O-CB 3.4Å; D53-I56 VanDerWaalsContact O-CD1 3.26Å; D53-I56 WeakPolarHBondContact O-CD1 3.26Å; D53-I56 WeakPolarHBondContact O-CG1 3.26Å; D53-I56 PolarHBondContact O-N 3.09Å |
| 54 | V | 98.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.8 | 175.8 | 76 | 0 | 0 | 0 | 0 | 112.5 | I12 L50 V52 I56 V63 A64 G65 A67 | I12-V54 HydrophobicContact CD1-CB 4.13Å; I12-V54 HydrophobicContact CD1-CG2 3.89Å; I12-V54 HydrophobicContact CG1-CG2 4.22Å; I12-V54 HydrophobicContact CG2-CB 4.42Å; L50-V54 PolarHBondContact O-N 3.33Å; V52-V54 VanDerWaalsContact C-N 3.3Å; V52-V54 PolarHBondContact O-N 3.22Å; V54-I56 VanDerWaalsContact C-N 3.33Å; V54-V63 HydrophobicContact CG2-CG2 3.66Å; V54-V63 VanDerWaalsContact O-CG2 3.3Å; V54-V63 WeakPolarHBondContact O-CG2 3.5Å; V54-A64 PolarHBondContact O-N 3.46Å; V54-G65 PolarHBondContact O-N 3.35Å; V54-A67 HydrophobicContact CG1-CB 3.95Å |
| 55 | Q | 98 | Very high | 96.7 | Very high | 67 Ų | 67 | 39.9 Ų | 39.9 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.3 | -179.9 | -60.2 | 172.3 | 68.2 | 0 | 0 | 113 | A51 V52 D53 G65 | A51-Q55 PolarHBondContact O-NE2 3.21Å; V52-Q55 WeakPolarHBondContact O-CB 3.34Å; V52-Q55 PolarHBondContact O-N 3.06Å; D53-Q55 PolarHBondContact O-N 3.02Å; Q55-G65 WeakPolarHBondContact CG-O 3.35Å |
| 56 | I | 97.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -59.6 | 131.7 | 178.6 | -65.9 | 159.6 | 0 | 0 | 0 | 109.3 | I13 F15 D53 V54 F60 G62 V63 A64 L92 | I13-I56 HydrophobicContact CD1-CD1 4.23Å; I13-I56 HydrophobicContact CD1-CG2 4.32Å; I13-I56 HydrophobicContact CG1-CD1 4.02Å; F15-I56 HydrophobicContact CD2-CD1 3.67Å; F15-I56 HydrophobicContact CE2-CD1 3.29Å; F15-I56 HydrophobicContact CE2-CG1 4.04Å; F15-I56 HydrophobicContact CE2-CG2 4.23Å; F15-I56 HydrophobicContact CZ-CD1 4.31Å; F15-I56 HydrophobicContact CZ-CG2 4.37Å; D53-I56 HydrophobicContact CB-CD1 3.83Å; D53-I56 VanDerWaalsContact O-CB 3.28Å; D53-I56 WeakPolarHBondContact O-CB 3.4Å; D53-I56 VanDerWaalsContact O-CD1 3.26Å; D53-I56 WeakPolarHBondContact O-CD1 3.26Å; D53-I56 WeakPolarHBondContact O-CG1 3.26Å; D53-I56 PolarHBondContact O-N 3.09Å; V54-I56 VanDerWaalsContact C-N 3.33Å; I56-F60 HydrophobicContact CG2-CB 3.79Å; I56-G62 CarbonylContact O-C 3.34Å; I56-G62 VanDerWaalsContact O-CA 3.3Å; I56-G62 WeakPolarHBondContact O-CA 3.45Å; I56-V63 PolarHBondContact O-N 3.22Å; I56-A64 PolarHBondContact O-N 3.37Å; I56-L92 HydrophobicContact CG2-CD1 4.45Å; I56-L92 HydrophobicContact CG2-CD2 4.26Å |
| 57 | P | 96.4 | Very high | 96.7 | Very high | 34 Ų | 34 | 43.1 Ų | 43.1 | 22% | 0.221 | 26% | 0.261 | C | S | . | . | trans | -65.1 | 151.3 | 179 | -21.3 | 32.2 | 0 | 0 | 0 | 113.6 | C59 F60 G62 | P57-C59 PolarHBondContact O-N 3.34Å; P57-F60 HydrophobicContact CB-CD2 4.13Å; P57-F60 HydrophobicContact CG-CD2 4.12Å; P57-F60 PolarHBondContact O-N 2.88Å; P57-G62 PolarHBondContact O-N 3.36Å; P57-G62 VanDerWaalsContact O-N 3.17Å | ||
| 58 | E | 94.9 | Very high | 96.7 | Very high | 152 Ų | 152 | 46.7 Ų | 46.7 | 71% | 0.71 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -56.8 | -32.8 | 178 | -64.7 | 179.2 | -175.9 | 0 | 0 | 113.5 | F60 G61 G62 | E58-F60 PolarHBondContact O-N 2.85Å; E58-F60 VanDerWaalsContact O-N 3.1Å; E58-G61 PolarHBondContact O-N 3.43Å; E58-G62 WeakPolarHBondContact CA-O 3.34Å |
| 59 | C | 93.9 | Very high | 96.6 | Very high | 78 Ų | 78 | 49.2 Ų | 49.2 | 53% | 0.527 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -66.1 | -11.6 | 176.9 | 61.9 | 0 | 0 | 0 | 0 | 114 | P57 | P57-C59 PolarHBondContact O-N 3.34Š|
| 60 | F | 94.6 | Very high | 96.5 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 13% | 0.127 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -110.1 | 12.9 | 171.8 | -63.8 | -78.8 | 0 | 0 | 0 | 112.5 | I13 I56 P57 E58 L92 I95 A96 | I13-F60 WeakPolarHBondContact CD1-O 3.48Å; I56-F60 HydrophobicContact CG2-CB 3.79Å; P57-F60 HydrophobicContact CB-CD2 4.13Å; P57-F60 HydrophobicContact CG-CD2 4.12Å; P57-F60 PolarHBondContact O-N 2.88Å; E58-F60 PolarHBondContact O-N 2.85Å; E58-F60 VanDerWaalsContact O-N 3.1Å; F60-L92 HydrophobicContact CB-CD2 3.81Å; F60-L92 HydrophobicContact CD1-CD2 3.81Å; F60-L92 HydrophobicContact CD2-CD1 4.24Å; F60-L92 HydrophobicContact CD2-CD2 4.13Å; F60-L92 HydrophobicContact CE1-CB 4.22Å; F60-L92 HydrophobicContact CE1-CD2 4.37Å; F60-L92 WeakPolarHBondContact CE1-O 3.39Å; F60-L92 HydrophobicContact CE2-CB 4.34Å; F60-L92 HydrophobicContact CE2-CD1 4.49Å; F60-L92 HydrophobicContact CG-CD2 3.67Å; F60-L92 HydrophobicContact CZ-CB 4.14Å; F60-I95 HydrophobicContact CD1-CB 4.35Å; F60-I95 HydrophobicContact CD1-CG2 3.95Å; F60-I95 HydrophobicContact CE1-CB 4.18Å; F60-I95 HydrophobicContact CE1-CG2 3.99Å; F60-A96 HydrophobicContact CE1-CB 4.21Å; F60-A96 HydrophobicContact CZ-CB 4.12Å |
| 61 | G | 91.8 | Very high | 96.4 | Very high | 44 Ų | 44 | 55 Ų | 55 | 45% | 0.454 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 9.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | E58 | E58-G61 PolarHBondContact O-N 3.43Š|
| 62 | G | 95.5 | Very high | 96.2 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | trans | -87.3 | -167.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I56 P57 E58 | I56-G62 CarbonylContact O-C 3.34Å; I56-G62 VanDerWaalsContact O-CA 3.3Å; I56-G62 WeakPolarHBondContact O-CA 3.45Å; P57-G62 PolarHBondContact O-N 3.36Å; P57-G62 VanDerWaalsContact O-N 3.17Å; E58-G62 WeakPolarHBondContact CA-O 3.34Å | ||
| 63 | V | 96.3 | Very high | 96 | Very high | 42 Ų | 42 | 68.3 Ų | 68.3 | 26% | 0.255 | 39% | 0.392 | S | S | . | . | trans | -122.7 | 1.6 | -173.7 | -58.1 | 0 | 0 | 0 | 0 | 114 | F11 I12 L29 V54 I56 G65 | F11-V63 WeakPolarHBondContact O-CG1 3.46Å; I12-V63 HydrophobicContact CG1-CG2 4.44Å; L29-V63 HydrophobicContact CD1-CG1 4.15Å; V54-V63 HydrophobicContact CG2-CG2 3.66Å; V54-V63 VanDerWaalsContact O-CG2 3.3Å; V54-V63 WeakPolarHBondContact O-CG2 3.5Å; I56-V63 PolarHBondContact O-N 3.22Å; V63-G65 PolarHBondContact O-N 3.28Å | ||
| 64 | A | 97.1 | Very high | 95.7 | Very high | 64 Ų | 64 | 70.9 Ų | 70.9 | 53% | 0.529 | 42% | 0.42 | S | S | . | . | trans | 47.4 | 35.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V54 I56 | V54-A64 PolarHBondContact O-N 3.46Å; I56-A64 PolarHBondContact O-N 3.37Å | ||
| 65 | G | 96 | Very high | 95.4 | Very high | 26 Ų | 26 | 72 Ų | 72 | 27% | 0.268 | 43% | 0.429 | S | S | . | . | trans | -93.2 | -171.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V54 Q55 V63 | V54-G65 PolarHBondContact O-N 3.35Å; Q55-G65 WeakPolarHBondContact CG-O 3.35Å; V63-G65 PolarHBondContact O-N 3.28Å | ||
| 66 | E | 96.9 | Very high | 95.2 | Very high | 168 Ų | 168 | 71 Ų | 71 | 79% | 0.785 | 42% | 0.423 | S | S | * | . | trans | -125.4 | 154.1 | 177.5 | -62.5 | -172.9 | 143.6 | 0 | 0 | 110.4 | ||||
| 67 | A | 96.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 76.2 Ų | 76.2 | 26% | 0.264 | 45% | 0.449 | S | S | . | . | trans | -116 | 141.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A51 V54 | A51-A67 HydrophobicContact CB-CB 3.78Å; V54-A67 HydrophobicContact CG1-CB 3.95Å | ||
| 68 | V | 97.2 | Very high | 95.1 | Very high | 123 Ų | 123 | 78.8 Ų | 78.8 | 75% | 0.745 | 46% | 0.463 | S | S | * | . | trans | -111.6 | 120.5 | 163.2 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | I70 | V68-I70 HydrophobicContact CG1-CG1 4.36Š| ||
| 69 | F | 96.7 | Very high | 95.2 | Very high | 53 Ų | 53 | 77.6 Ų | 77.6 | 23% | 0.232 | 46% | 0.462 | C | S | . | . | trans | -106.4 | 119.2 | 178.5 | -160.2 | -70.2 | 0 | 0 | 0 | 109.5 | T44 C47 M48 A51 D71 F76 | T44-F69 HydrophobicContact CG2-CZ 4.5Å; C47-F69 HydrophobicContact CB-CE2 3.53Å; C47-F69 HydrophobicContact CB-CZ 3.89Å; M48-F69 HydrophobicContact CG-CE2 3.95Å; M48-F69 HydrophobicContact CG-CZ 4.33Å; A51-F69 HydrophobicContact CB-CD2 4.46Å; F69-D71 HydrophobicContact CD1-CB 4.14Å; F69-D71 HydrophobicContact CE1-CB 4.04Å; F69-F76 HydrophobicContact CB-CD2 4.37Å; F69-F76 HydrophobicContact CB-CE2 4.18Å; F69-F76 HydrophobicContact CD1-CB 4.48Å; F69-F76 AromaticContact CD1-CD2 3.62Å; F69-F76 HydrophobicContact CD1-CD2 3.62Å; F69-F76 HydrophobicContact CD1-CE2 4.26Å; F69-F76 HydrophobicContact CD1-CG 4.35Å; F69-F76 AromaticContact CD2-CD2 3.98Å; F69-F76 HydrophobicContact CD2-CD2 3.98Å; F69-F76 HydrophobicContact CD2-CE2 4Å; F69-F76 HydrophobicContact CE1-CB 4.3Å; F69-F76 AromaticContact CE1-CD2 3.82Å; F69-F76 HydrophobicContact CE1-CD2 3.82Å; F69-F76 HydrophobicContact CE2-CD2 4.13Å; F69-F76 HydrophobicContact CE2-CE2 4.45Å; F69-F76 AromaticContact CG-CD2 3.72Å; F69-F76 HydrophobicContact CG-CD2 3.72Å; F69-F76 AromaticContact CG-CE2 3.88Å; F69-F76 HydrophobicContact CG-CE2 3.88Å; F69-F76 HydrophobicContact CZ-CD2 4.06Å | ||
| 70 | I | 96.6 | Very high | 95.4 | Very high | 142 Ų | 142 | 78.3 Ų | 78.3 | 73% | 0.728 | 45% | 0.454 | S | S | * | . | trans | -104.8 | 114 | 175.4 | -57.6 | 174.9 | 0 | 0 | 0 | 107.5 | V68 | V68-I70 HydrophobicContact CG1-CG1 4.36Š| ||
| 71 | D | 95.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 77 Ų | 77 | 30% | 0.299 | 45% | 0.448 | S | S | . | . | trans | -107.7 | 118.7 | -179.4 | -179 | 15.7 | 0 | 0 | 0 | 110.2 | F69 E73 G74 S75 F76 | F69-D71 HydrophobicContact CD1-CB 4.14Å; F69-D71 HydrophobicContact CE1-CB 4.04Å; D71-E73 PolarHBondContact OD1-N 3.4Å; D71-E73 VanDerWaalsContact OD1-N 3.09Å; D71-G74 PolarHBondContact OD1-N 3.33Å; D71-G74 WeakPolarHBondContact OD2-CA 3.34Å; D71-G74 PolarHBondContact OD2-N 3.08Å; D71-S75 PolarHBondContact OD1-N 3.25Å; D71-S75 PolarHBondContact OD1-OG 2.93Å; D71-S75 PolarHBondContact OD2-N 3.04Å; D71-F76 HydrophobicContact CB-CB 4.01Å; D71-F76 VanDerWaalsContact OD2-CB 3.27Å; D71-F76 WeakPolarHBondContact OD2-CB 3.48Å; D71-F76 PolarHBondContact OD2-N 2.88Å | ||
| 72 | T | 94.7 | Very high | 95.8 | Very high | 129 Ų | 129 | 78.5 Ų | 78.5 | 79% | 0.791 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -98.3 | -13.4 | -179.1 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 73 | E | 93.7 | Very high | 96 | Very high | 166 Ų | 166 | 82.4 Ų | 82.4 | 78% | 0.776 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -115.6 | -7.4 | -173.4 | -64.8 | -174.7 | 179.2 | 0 | 0 | 113.1 | D71 | D71-E73 PolarHBondContact OD1-N 3.4Å; D71-E73 VanDerWaalsContact OD1-N 3.09Å |
| 74 | G | 91.6 | Very high | 96.1 | Very high | 57 Ų | 57 | 80.9 Ų | 80.9 | 59% | 0.588 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 76.6 | 24.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D71 | D71-G74 PolarHBondContact OD1-N 3.33Å; D71-G74 WeakPolarHBondContact OD2-CA 3.34Å; D71-G74 PolarHBondContact OD2-N 3.08Å |
| 75 | S | 91.9 | Very high | 96.1 | Very high | 39 Ų | 39 | 78.7 Ų | 78.7 | 27% | 0.273 | 44% | 0.439 | S | S | . | . | trans | -90.3 | -6.3 | -176.8 | 65.4 | 0 | 0 | 0 | 0 | 114 | T44 D71 M77 | T44-S75 VanDerWaalsContact CG2-OG 3.31Å; T44-S75 WeakPolarHBondContact CG2-OG 3.4Å; D71-S75 PolarHBondContact OD1-N 3.25Å; D71-S75 PolarHBondContact OD1-OG 2.93Å; D71-S75 PolarHBondContact OD2-N 3.04Å; S75-M77 PolarHBondContact O-N 2.96Å | ||
| 76 | F | 93.8 | Very high | 96.2 | Very high | 44 Ų | 44 | 80.5 Ų | 80.5 | 19% | 0.193 | 45% | 0.445 | C | S | . | . | trans | -72.8 | 122.5 | 177.3 | -176.3 | -92 | 0 | 0 | 0 | 111.4 | M48 F69 D71 V78 V81 F127 | M48-F76 HydrophobicContact CG-CD2 4.16Å; M48-F76 HydrophobicContact CG-CE2 4.29Å; M48-F76 HydrophobicContact SD-CD2 4.33Å; F69-F76 HydrophobicContact CB-CD2 4.37Å; F69-F76 HydrophobicContact CB-CE2 4.18Å; F69-F76 HydrophobicContact CD1-CB 4.48Å; F69-F76 AromaticContact CD1-CD2 3.62Å; F69-F76 HydrophobicContact CD1-CD2 3.62Å; F69-F76 HydrophobicContact CD1-CE2 4.26Å; F69-F76 HydrophobicContact CD1-CG 4.35Å; F69-F76 AromaticContact CD2-CD2 3.98Å; F69-F76 HydrophobicContact CD2-CD2 3.98Å; F69-F76 HydrophobicContact CD2-CE2 4Å; F69-F76 HydrophobicContact CE1-CB 4.3Å; F69-F76 AromaticContact CE1-CD2 3.82Å; F69-F76 HydrophobicContact CE1-CD2 3.82Å; F69-F76 HydrophobicContact CE2-CD2 4.13Å; F69-F76 HydrophobicContact CE2-CE2 4.45Å; F69-F76 AromaticContact CG-CD2 3.72Å; F69-F76 HydrophobicContact CG-CD2 3.72Å; F69-F76 AromaticContact CG-CE2 3.88Å; F69-F76 HydrophobicContact CG-CE2 3.88Å; F69-F76 HydrophobicContact CZ-CD2 4.06Å; D71-F76 HydrophobicContact CB-CB 4.01Å; D71-F76 VanDerWaalsContact OD2-CB 3.27Å; D71-F76 WeakPolarHBondContact OD2-CB 3.48Å; D71-F76 PolarHBondContact OD2-N 2.88Å; F76-V78 HydrophobicContact CD1-CG2 4.36Å; F76-V78 HydrophobicContact CE1-CG2 3.82Å; F76-V81 HydrophobicContact CE2-CG2 3.75Å; F76-V81 HydrophobicContact CZ-CG2 3.71Å; F76-F127 HydrophobicContact CE1-CD1 4.49Å; F76-F127 HydrophobicContact CE2-CD1 4.3Å; F76-F127 AromaticContact CE2-CE1 3.93Å; F76-F127 HydrophobicContact CE2-CE1 3.93Å; F76-F127 HydrophobicContact CE2-CZ 4.39Å; F76-F127 AromaticContact CZ-CD1 3.67Å; F76-F127 HydrophobicContact CZ-CD1 3.67Å; F76-F127 HydrophobicContact CZ-CD2 4.39Å; F76-F127 AromaticContact CZ-CE1 3.64Å; F76-F127 HydrophobicContact CZ-CE1 3.64Å; F76-F127 HydrophobicContact CZ-CE2 4.33Å; F76-F127 HydrophobicContact CZ-CG 4.08Å; F76-F127 AromaticContact CZ-CZ 4Å; F76-F127 HydrophobicContact CZ-CZ 4Å | ||
| 77 | M | 95.6 | Very high | 96.3 | Very high | 112 Ų | 112 | 75 Ų | 75 | 55% | 0.552 | 43% | 0.428 | S | S | * | . | trans | -118.8 | 110.6 | -177.5 | -65.7 | -68.1 | 174.9 | 0 | 0 | 109.8 | S75 D79 R80 V81 | S75-M77 PolarHBondContact O-N 2.96Å; M77-D79 VanDerWaalsContact C-N 3.32Å; M77-D79 PolarHBondContact O-N 3.27Å; M77-R80 HydrophobicContact CB-CB 3.87Å; M77-R80 WeakPolarHBondContact O-CB 3.37Å; M77-R80 PolarHBondContact O-N 2.77Å; M77-R80 VanDerWaalsContact O-N 3.11Å; M77-V81 PolarHBondContact O-N 3.17Å | ||
| 78 | V | 95.6 | Very high | 96.3 | Very high | 88 Ų | 88 | 74.3 Ų | 74.3 | 53% | 0.533 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | -178.8 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | F76 R80 V81 V82 | F76-V78 HydrophobicContact CD1-CG2 4.36Å; F76-V78 HydrophobicContact CE1-CG2 3.82Å; V78-R80 PolarHBondContact O-N 3.35Å; V78-V81 WeakPolarHBondContact O-CA 3.35Å; V78-V81 PolarHBondContact O-N 2.77Å; V78-V82 HydrophobicContact CG1-CG2 4.39Å; V78-V82 WeakPolarHBondContact O-CG2 3.46Å; V78-V82 PolarHBondContact O-N 3.49Å |
| 79 | D | 97.5 | Very high | 96.4 | Very high | 127 Ų | 127 | 71.3 Ų | 71.3 | 68% | 0.679 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.1 | -38.4 | 179.8 | -62.1 | -26.6 | 0 | 0 | 0 | 111.2 | M77 V81 V82 D83 | M77-D79 VanDerWaalsContact C-N 3.32Å; M77-D79 PolarHBondContact O-N 3.27Å; D79-V81 PolarHBondContact O-N 2.94Å; D79-V82 WeakPolarHBondContact O-CB 3.41Å; D79-V82 PolarHBondContact O-N 3.23Å; D79-D83 PolarHBondContact O-N 2.91Å |
| 80 | R | 97.4 | Very high | 96.4 | Very high | 93 Ų | 93 | 74.1 Ų | 74.1 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 175.5 | -177.8 | 55.6 | 179.7 | 153.7 | 3.7 | 111.8 | M48 M77 V78 V82 D83 L84 | M48-R80 HydrophobicContact CE-CB 4.31Å; M48-R80 HydrophobicContact CE-CG 3.71Å; M48-R80 HydrophobicContact SD-CB 4.34Å; M48-R80 HydrophobicContact SD-CG 4.24Å; M77-R80 HydrophobicContact CB-CB 3.87Å; M77-R80 WeakPolarHBondContact O-CB 3.37Å; M77-R80 PolarHBondContact O-N 2.77Å; M77-R80 VanDerWaalsContact O-N 3.11Å; V78-R80 PolarHBondContact O-N 3.35Å; R80-V82 VanDerWaalsContact C-N 3.3Å; R80-V82 PolarHBondContact O-N 2.98Å; R80-D83 WeakPolarHBondContact O-CB 3.27Å; R80-D83 PolarHBondContact O-N 3.47Å; R80-L84 VanDerWaalsContact O-CG 3.31Å; R80-L84 WeakPolarHBondContact O-CG 3.45Å; R80-L84 PolarHBondContact O-N 3.46Å |
| 81 | V | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.012 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.3 | -35.7 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | M48 V52 F76 M77 V78 D79 D83 L84 A85 F127 | M48-V81 HydrophobicContact CB-CG2 4.17Å; M48-V81 HydrophobicContact CG-CG2 4.03Å; M48-V81 HydrophobicContact SD-CG2 3.91Å; V52-V81 HydrophobicContact CG2-CG1 3.82Å; F76-V81 HydrophobicContact CE2-CG2 3.75Å; F76-V81 HydrophobicContact CZ-CG2 3.71Å; M77-V81 PolarHBondContact O-N 3.17Å; V78-V81 WeakPolarHBondContact O-CA 3.35Å; V78-V81 PolarHBondContact O-N 2.77Å; D79-V81 PolarHBondContact O-N 2.94Å; V81-D83 VanDerWaalsContact C-N 3.34Å; V81-L84 PolarHBondContact O-N 3.18Å; V81-A85 WeakPolarHBondContact O-CB 3.4Å; V81-A85 PolarHBondContact O-N 3.25Å; V81-F127 HydrophobicContact CB-CE2 4.33Å; V81-F127 HydrophobicContact CG1-CE2 3.48Å; V81-F127 VanDerWaalsContact CG1-CE2 3.48Å; V81-F127 HydrophobicContact CG1-CZ 3.65Å; V81-F127 HydrophobicContact CG2-CZ 4.46Å |
| 82 | V | 98.3 | Very high | 96.4 | Very high | 75 Ų | 75 | 69.3 Ų | 69.3 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 173.2 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | V78 D79 R80 A85 T86 | V78-V82 HydrophobicContact CG1-CG2 4.39Å; V78-V82 WeakPolarHBondContact O-CG2 3.46Å; V78-V82 PolarHBondContact O-N 3.49Å; D79-V82 WeakPolarHBondContact O-CB 3.41Å; D79-V82 PolarHBondContact O-N 3.23Å; R80-V82 VanDerWaalsContact C-N 3.3Å; R80-V82 PolarHBondContact O-N 2.98Å; V82-A85 PolarHBondContact O-N 2.9Å; V82-T86 WeakPolarHBondContact O-CB 3.33Å; V82-T86 PolarHBondContact O-N 3.32Å; V82-T86 PolarHBondContact O-OG1 2.86Å |
| 83 | D | 98.5 | Very high | 96.5 | Very high | 92 Ų | 92 | 68.4 Ų | 68.4 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 174.9 | -66.1 | -26 | 0 | 0 | 0 | 111.5 | D79 R80 V81 T86 A87 | D79-D83 PolarHBondContact O-N 2.91Å; R80-D83 WeakPolarHBondContact O-CB 3.27Å; R80-D83 PolarHBondContact O-N 3.47Å; V81-D83 VanDerWaalsContact C-N 3.34Å; D83-T86 PolarHBondContact O-N 3.44Å; D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.33Å |
| 84 | L | 98.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 179.3 | -67.1 | 179.7 | 0 | 0 | 0 | 111.7 | M48 Q49 V52 R80 V81 A87 C88 | M48-L84 HydrophobicContact CB-CD1 3.89Å; Q49-L84 HydrophobicContact CB-CD1 4.36Å; Q49-L84 VanDerWaalsContact OE1-CD2 3.28Å; V52-L84 HydrophobicContact CG2-CB 4.01Å; R80-L84 VanDerWaalsContact O-CG 3.31Å; R80-L84 WeakPolarHBondContact O-CG 3.45Å; R80-L84 PolarHBondContact O-N 3.46Å; V81-L84 PolarHBondContact O-N 3.18Å; L84-A87 PolarHBondContact O-N 3.02Å; L84-C88 WeakPolarHBondContact O-CB 3.36Å; L84-C88 PolarHBondContact O-N 3.06Å |
| 85 | A | 98.3 | Very high | 96.7 | Very high | 17 Ų | 17 | 65 Ų | 65 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V52 V81 V82 C88 I89 | V52-A85 HydrophobicContact CG1-CB 4.32Å; V52-A85 HydrophobicContact CG2-CB 4.36Å; V81-A85 WeakPolarHBondContact O-CB 3.4Å; V81-A85 PolarHBondContact O-N 3.25Å; V82-A85 PolarHBondContact O-N 2.9Å; A85-C88 PolarHBondContact O-N 3.37Å; A85-I89 WeakPolarHBondContact O-CD1 3.46Å; A85-I89 VanDerWaalsContact O-CG1 3.23Å; A85-I89 WeakPolarHBondContact O-CG1 3.44Å; A85-I89 PolarHBondContact O-N 2.92Å |
| 86 | T | 98.4 | Very high | 96.7 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 40% | 0.399 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -46.3 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 111 | V82 D83 I89 Q90 | V82-T86 WeakPolarHBondContact O-CB 3.33Å; V82-T86 PolarHBondContact O-N 3.32Å; V82-T86 PolarHBondContact O-OG1 2.86Å; D83-T86 PolarHBondContact O-N 3.44Å; T86-I89 PolarHBondContact O-N 2.94Å; T86-Q90 WeakPolarHBondContact O-CG 3.06Å; T86-Q90 PolarHBondContact O-N 3.38Å |
| 87 | A | 98.3 | Very high | 96.6 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D83 L84 Q90 H91 | D83-A87 WeakPolarHBondContact O-CB 3.45Å; D83-A87 PolarHBondContact O-N 3.33Å; L84-A87 PolarHBondContact O-N 3.02Å; A87-Q90 PolarHBondContact O-N 2.78Å; A87-H91 WeakPolarHBondContact O-CB 3.24Å; A87-H91 PolarHBondContact O-N 3.38Å |
| 88 | C | 98 | Very high | 96.1 | Very high | 17 Ų | 17 | 68.9 Ų | 68.9 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.5 | -48.7 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | V52 L84 A85 Q90 H91 L92 | V52-C88 HydrophobicContact CG1-CB 3.82Å; L84-C88 WeakPolarHBondContact O-CB 3.36Å; L84-C88 PolarHBondContact O-N 3.06Å; A85-C88 PolarHBondContact O-N 3.37Å; C88-Q90 PolarHBondContact O-N 2.95Å; C88-H91 WeakPolarHBondContact O-CB 3.32Å; C88-H91 PolarHBondContact O-N 3.32Å; C88-H91 VanDerWaalsContact O-N 3.13Å; C88-L92 WeakPolarHBondContact O-CG 3.31Å; C88-L92 PolarHBondContact O-N 2.89Å |
| 89 | I | 97.7 | Very high | 95.1 | Very high | 61 Ų | 61 | 68.9 Ų | 68.9 | 31% | 0.313 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 179 | -67.3 | 161 | 0 | 0 | 0 | 111.3 | A85 T86 H91 L92 Q93 P122 | A85-I89 WeakPolarHBondContact O-CD1 3.46Å; A85-I89 VanDerWaalsContact O-CG1 3.23Å; A85-I89 WeakPolarHBondContact O-CG1 3.44Å; A85-I89 PolarHBondContact O-N 2.92Å; T86-I89 PolarHBondContact O-N 2.94Å; I89-H91 VanDerWaalsContact C-N 3.28Å; I89-H91 PolarHBondContact O-N 3.39Å; I89-L92 PolarHBondContact O-N 3.31Å; I89-Q93 WeakPolarHBondContact O-CG 3.45Å; I89-Q93 PolarHBondContact O-N 3.39Å; I89-P122 HydrophobicContact CD1-CB 4.49Å; I89-P122 HydrophobicContact CD1-CG 3.42Å; I89-P122 VanDerWaalsContact CD1-CG 3.42Å; I89-P122 HydrophobicContact CG1-CG 3.88Å |
| 90 | Q | 97.8 | Very high | 94 | Very high | 111 Ų | 111 | 68.2 Ų | 68.2 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.2 | -42.1 | 176.8 | -71.9 | 172.4 | -7.3 | 0 | 0 | 111.1 | T86 A87 C88 Q93 L94 | T86-Q90 WeakPolarHBondContact O-CG 3.06Å; T86-Q90 PolarHBondContact O-N 3.38Å; A87-Q90 PolarHBondContact O-N 2.78Å; C88-Q90 PolarHBondContact O-N 2.95Å; Q90-Q93 PolarHBondContact O-N 3Å; Q90-L94 WeakPolarHBondContact O-CG 3.39Å; Q90-L94 PolarHBondContact O-N 3.23Å; Q90-L94 VanDerWaalsContact O-N 3.09Å |
| 91 | H | 96.3 | Very high | 92.1 | Very high | 77 Ų | 77 | 66.3 Ų | 66.3 | 36% | 0.356 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 177 | -173.3 | 62.6 | 0 | 0 | 0 | 112.3 | F15 A87 C88 I89 Q93 L94 I95 | F15-H91 AromaticContact CD1-CD2 3.89Å; F15-H91 AromaticContact CD1-NE2 3.54Å; F15-H91 AromaticContact CE1-NE2 3.89Å; F15-H91 AromaticContact CG-CD2 3.89Å; F15-H91 AromaticContact CG-NE2 3.87Å; A87-H91 WeakPolarHBondContact O-CB 3.24Å; A87-H91 PolarHBondContact O-N 3.38Å; C88-H91 WeakPolarHBondContact O-CB 3.32Å; C88-H91 PolarHBondContact O-N 3.32Å; C88-H91 VanDerWaalsContact O-N 3.13Å; I89-H91 VanDerWaalsContact C-N 3.28Å; I89-H91 PolarHBondContact O-N 3.39Å; H91-Q93 VanDerWaalsContact C-N 3.31Å; H91-Q93 PolarHBondContact O-N 2.9Å; H91-L94 PolarHBondContact O-N 2.93Å; H91-I95 WeakPolarHBondContact O-CG1 3.31Å; H91-I95 PolarHBondContact O-N 3Å |
| 92 | L | 96 | Very high | 90.3 | Very high | 20 Ų | 20 | 71.1 Ų | 71.1 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 177.8 | -63.2 | -176.5 | 0 | 0 | 0 | 112.4 | F15 I56 F60 C88 I89 I95 A96 | F15-L92 HydrophobicContact CE2-CD2 3.76Å; F15-L92 HydrophobicContact CZ-CD2 3.58Å; I56-L92 HydrophobicContact CG2-CD1 4.45Å; I56-L92 HydrophobicContact CG2-CD2 4.26Å; F60-L92 HydrophobicContact CB-CD2 3.81Å; F60-L92 HydrophobicContact CD1-CD2 3.81Å; F60-L92 HydrophobicContact CD2-CD1 4.24Å; F60-L92 HydrophobicContact CD2-CD2 4.13Å; F60-L92 HydrophobicContact CE1-CB 4.22Å; F60-L92 HydrophobicContact CE1-CD2 4.37Å; F60-L92 WeakPolarHBondContact CE1-O 3.39Å; F60-L92 HydrophobicContact CE2-CB 4.34Å; F60-L92 HydrophobicContact CE2-CD1 4.49Å; F60-L92 HydrophobicContact CG-CD2 3.67Å; F60-L92 HydrophobicContact CZ-CB 4.14Å; C88-L92 WeakPolarHBondContact O-CG 3.31Å; C88-L92 PolarHBondContact O-N 2.89Å; I89-L92 PolarHBondContact O-N 3.31Å; L92-I95 HydrophobicContact CD2-CD1 4.38Å; L92-I95 PolarHBondContact O-N 3.01Å; L92-A96 WeakPolarHBondContact O-CB 3.36Å; L92-A96 PolarHBondContact O-N 3.41Å |
| 93 | Q | 96.1 | Very high | 88.2 | Confident | 111 Ų | 111 | 72.9 Ų | 72.9 | 52% | 0.519 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 174.1 | -74.1 | 172.2 | -17.3 | 0 | 0 | 111.5 | I89 Q90 H91 I95 A96 E97 | I89-Q93 WeakPolarHBondContact O-CG 3.45Å; I89-Q93 PolarHBondContact O-N 3.39Å; Q90-Q93 PolarHBondContact O-N 3Å; H91-Q93 VanDerWaalsContact C-N 3.31Å; H91-Q93 PolarHBondContact O-N 2.9Å; Q93-I95 PolarHBondContact O-N 3.33Å; Q93-A96 PolarHBondContact O-N 2.87Å; Q93-E97 WeakPolarHBondContact O-CG 3.23Å; Q93-E97 PolarHBondContact O-N 3.38Å |
| 94 | L | 95.1 | Very high | 85.9 | Confident | 109 Ų | 109 | 74 Ų | 74 | 57% | 0.571 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 177.2 | -68.5 | 170.4 | 0 | 0 | 0 | 112.1 | Q90 H91 E97 K98 | Q90-L94 WeakPolarHBondContact O-CG 3.39Å; Q90-L94 PolarHBondContact O-N 3.23Å; Q90-L94 VanDerWaalsContact O-N 3.09Å; H91-L94 PolarHBondContact O-N 2.93Å; L94-E97 PolarHBondContact O-N 2.91Å; L94-K98 WeakPolarHBondContact O-CB 3.46Å; L94-K98 PolarHBondContact O-N 3.43Å |
| 95 | I | 93.4 | Very high | 83.6 | Confident | 42 Ų | 42 | 77 Ų | 77 | 22% | 0.215 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.4 | -66.9 | 167.4 | 0 | 0 | 0 | 110.2 | F15 F60 H91 L92 Q93 E97 K98 H99 | F15-I95 HydrophobicContact CE1-CD1 3.88Å; F15-I95 HydrophobicContact CZ-CD1 4.19Å; F60-I95 HydrophobicContact CD1-CB 4.35Å; F60-I95 HydrophobicContact CD1-CG2 3.95Å; F60-I95 HydrophobicContact CE1-CB 4.18Å; F60-I95 HydrophobicContact CE1-CG2 3.99Å; H91-I95 WeakPolarHBondContact O-CG1 3.31Å; H91-I95 PolarHBondContact O-N 3Å; L92-I95 HydrophobicContact CD2-CD1 4.38Å; L92-I95 PolarHBondContact O-N 3.01Å; Q93-I95 PolarHBondContact O-N 3.33Å; I95-E97 VanDerWaalsContact C-N 3.32Å; I95-E97 PolarHBondContact O-N 2.82Å; I95-K98 PolarHBondContact O-N 3.36Å; I95-H99 PolarHBondContact O-CD2 3.4Å; I95-H99 VanDerWaalsContact O-CD2 3.25Å; I95-H99 PolarHBondContact O-N 2.61Å |
| 96 | A | 91.8 | Very high | 80.9 | Confident | 15 Ų | 15 | 80.2 Ų | 80.2 | 12% | 0.124 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | F60 L92 Q93 K100 L117 | F60-A96 HydrophobicContact CE1-CB 4.21Å; F60-A96 HydrophobicContact CZ-CB 4.12Å; L92-A96 WeakPolarHBondContact O-CB 3.36Å; L92-A96 PolarHBondContact O-N 3.41Å; Q93-A96 PolarHBondContact O-N 2.87Å; A96-K100 PolarHBondContact O-N 3.49Å; A96-L117 HydrophobicContact CB-CD1 4.22Å |
| 97 | E | 92.4 | Very high | 78.4 | Confident | 121 Ų | 121 | 84 Ų | 84 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.4 | -43 | 176.2 | -75 | 174.4 | 178.6 | 0 | 0 | 112.3 | Q93 L94 I95 H99 K100 G101 | Q93-E97 WeakPolarHBondContact O-CG 3.23Å; Q93-E97 PolarHBondContact O-N 3.38Å; L94-E97 PolarHBondContact O-N 2.91Å; I95-E97 VanDerWaalsContact C-N 3.32Å; I95-E97 PolarHBondContact O-N 2.82Å; E97-H99 VanDerWaalsContact C-N 3.3Å; E97-H99 PolarHBondContact O-N 3.02Å; E97-K100 PolarHBondContact O-N 3.25Å; E97-G101 PolarHBondContact O-N 3.11Å |
| 98 | K | 85.7 | Confident | 75.8 | Confident | 141 Ų | 141 | 85 Ų | 85 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -56.9 | -44.4 | 177.7 | -173.2 | -178.2 | 174.6 | -172.2 | 0 | 111.7 | L94 I95 K100 G101 E102 | L94-K98 WeakPolarHBondContact O-CB 3.46Å; L94-K98 PolarHBondContact O-N 3.43Å; I95-K98 PolarHBondContact O-N 3.36Å; K98-K100 PolarHBondContact O-N 3.28Å; K98-G101 PolarHBondContact O-N 2.97Å; K98-E102 PolarHBondContact O-N 3.14Å |
| 99 | H | 75 | Confident | 73.1 | Confident | 87 Ų | 87 | 95.8 Ų | 95.8 | 40% | 0.403 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.3 | -27.2 | -179.7 | -75.8 | -62.3 | 0 | 0 | 0 | 114.2 | I95 E97 G101 E102 E103 | I95-H99 PolarHBondContact O-CD2 3.4Å; I95-H99 VanDerWaalsContact O-CD2 3.25Å; I95-H99 PolarHBondContact O-N 2.61Å; E97-H99 VanDerWaalsContact C-N 3.3Å; E97-H99 PolarHBondContact O-N 3.02Å; H99-G101 VanDerWaalsContact C-N 3.3Å; H99-G101 PolarHBondContact O-N 3.39Å; H99-E102 IonicContact CE1-OE2 3.67Å; H99-E102 IonicContact ND1-OE2 3.05Å; H99-E102 PolarHBondContact ND1-OE2 3.27Å; H99-E102 PolarHBondContact O-N 3.25Å; H99-E103 PolarHBondContact O-N 3.43Å |
| 100 | K | 72.6 | Confident | 70.3 | Confident | 113 Ų | 113 | 97.4 Ų | 97.4 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.6 | -32.2 | 171.7 | -73.7 | 175.8 | -178.4 | 173.2 | 0 | 112.9 | A96 E97 K98 S104 | A96-K100 PolarHBondContact O-N 3.49Å; E97-K100 PolarHBondContact O-N 3.25Å; K98-K100 PolarHBondContact O-N 3.28Å; K100-S104 PolarHBondContact O-OG 2.84Å |
| 101 | G | 58.4 | Low | 67.5 | Low | 53 Ų | 53 | 96.3 Ų | 96.3 | 55% | 0.546 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.7 | -34.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E97 K98 H99 | E97-G101 PolarHBondContact O-N 3.11Å; K98-G101 PolarHBondContact O-N 2.97Å; H99-G101 VanDerWaalsContact C-N 3.3Å; H99-G101 PolarHBondContact O-N 3.39Å |
| 102 | E | 58.9 | Low | 65.1 | Low | 103 Ų | 103 | 97.1 Ų | 97.1 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.9 | -35.7 | 179.9 | -67.6 | 170.5 | 176 | 0 | 0 | 112.3 | K98 H99 S104 G105 | K98-E102 PolarHBondContact O-N 3.14Å; H99-E102 IonicContact CE1-OE2 3.67Å; H99-E102 IonicContact ND1-OE2 3.05Å; H99-E102 PolarHBondContact ND1-OE2 3.27Å; H99-E102 PolarHBondContact O-N 3.25Å; E102-S104 VanDerWaalsContact C-N 3.28Å; E102-S104 PolarHBondContact O-N 2.85Å; E102-G105 PolarHBondContact O-N 3.38Å |
| 103 | E | 54.7 | Low | 62.4 | Low | 113 Ų | 113 | 102.9 Ų | 102.9 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.9 | -25 | 175.3 | -75.6 | -174.7 | 176.6 | 0 | 0 | 113.5 | H99 G105 W114 | H99-E103 PolarHBondContact O-N 3.43Å; E103-G105 PolarHBondContact O-N 3.45Å; E103-W114 VanDerWaalsContact OE1-CD1 3.3Å; E103-W114 PolarHBondContact OE1-NE1 3.09Å |
| 104 | S | 50.6 | Low | 60.2 | Low | 114 Ų | 114 | 101.5 Ų | 101.5 | 80% | 0.797 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -9.6 | 176.6 | -63.7 | 0 | 0 | 0 | 0 | 113.6 | K100 E102 | K100-S104 PolarHBondContact O-OG 2.84Å; E102-S104 VanDerWaalsContact C-N 3.28Å; E102-S104 PolarHBondContact O-N 2.85Å |
| 105 | G | 49.7 | Very low | 57.6 | Low | 74 Ų | 74 | 106.1 Ų | 106.1 | 76% | 0.763 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -8.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E102 E103 | E102-G105 PolarHBondContact O-N 3.38Å; E103-G105 PolarHBondContact O-N 3.45Å |
| 106 | S | 42.1 | Very low | 55.2 | Low | 86 Ų | 86 | 109.9 Ų | 109.9 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | trans | -133.8 | 109.3 | -175.6 | -167.1 | 0 | 0 | 0 | 0 | 111.6 | A108 | S106-A108 PolarHBondContact O-N 3.24Š| ||
| 107 | T | 45.2 | Very low | 53.3 | Low | 145 Ų | 145 | 111.4 Ų | 111.4 | 89% | 0.89 | 62% | 0.623 | S | S | * | * | trans | -73.6 | 120.3 | 169.7 | -58.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 108 | A | 43.8 | Very low | 50.9 | Low | 72 Ų | 72 | 109.6 Ų | 109.6 | 60% | 0.595 | 64% | 0.638 | S | S | * | * | trans | 75.3 | 138.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S106 | S106-A108 PolarHBondContact O-N 3.24Š| ||
| 109 | R | 41.6 | Very low | 48.9 | Very low | 244 Ų | 244 | 109.6 Ų | 109.6 | 92% | 0.921 | 64% | 0.643 | S | S | * | * | cis | -153.4 | 164.1 | 22.4 | -74.3 | 178.2 | 170.2 | -177.5 | -2.9 | 109.3 | ||||
| 110 | A | 38.9 | Very low | 47.5 | Very low | 95 Ų | 95 | 110 Ų | 110 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | trans | 82.3 | 79.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | V112 | A110-V112 PolarHBondContact O-N 3.23Š| ||
| 111 | G | 39 | Very low | 46 | Very low | 87 Ų | 87 | 115.5 Ų | 115.5 | 90% | 0.897 | 67% | 0.666 | S | S | * | * | 76.4 | 21.6 | 107 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 112 | V | 47.2 | Very low | 45.2 | Very low | 94 Ų | 94 | 116.5 Ų | 116.5 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | trans | -114.5 | 112 | 164.7 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | A110 W114 | A110-V112 PolarHBondContact O-N 3.23Å; V112-W114 HydrophobicContact CG1-CD2 4.14Å; V112-W114 HydrophobicContact CG1-CZ2 4.06Å; V112-W114 PolarHBondContact O-N 2.99Å | ||
| 113 | Q | 39.2 | Very low | 44.2 | Very low | 142 Ų | 142 | 115.4 Ų | 115.4 | 66% | 0.664 | 67% | 0.666 | S | S | * | * | trans | -91.6 | 91.1 | -177.7 | -172.6 | 166 | -34.7 | 0 | 0 | 110.7 | R115 | Q113-R115 HydrophobicContact CG-CB 4.2Å; Q113-R115 HydrophobicContact CG-CG 3.77Å; Q113-R115 PolarHBondContact O-N 3.48Å | ||
| 114 | W | 49.8 | Very low | 43.7 | Very low | 81 Ų | 81 | 115.2 Ų | 115.2 | 31% | 0.307 | 68% | 0.675 | S | S | . | * | trans | -67.1 | 21.6 | -179.3 | -60.7 | 103.3 | 0 | 0 | 0 | 116.5 | E103 V112 N116 L117 | E103-W114 VanDerWaalsContact OE1-CD1 3.3Å; E103-W114 PolarHBondContact OE1-NE1 3.09Å; V112-W114 HydrophobicContact CG1-CD2 4.14Å; V112-W114 HydrophobicContact CG1-CZ2 4.06Å; V112-W114 PolarHBondContact O-N 2.99Å; W114-N116 VanDerWaalsContact C-N 3.27Å; W114-N116 PolarHBondContact O-N 3.18Å; W114-N116 VanDerWaalsContact O-N 3.15Å; W114-L117 HydrophobicContact CE3-CD1 3.88Å; W114-L117 HydrophobicContact CZ3-CD1 4.48Å | ||
| 115 | R | 40.7 | Very low | 43.5 | Very low | 206 Ų | 206 | 111.6 Ų | 111.6 | 78% | 0.777 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -1.2 | -168.2 | -70.3 | -168.5 | -164.2 | 170.4 | 2.5 | 115.8 | Q113 | Q113-R115 HydrophobicContact CG-CB 4.2Å; Q113-R115 HydrophobicContact CG-CG 3.77Å; Q113-R115 PolarHBondContact O-N 3.48Å |
| 116 | N | 41.1 | Very low | 43.5 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 65% | 0.652 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.8 | 17.3 | -170.7 | -106 | -21.5 | 0 | 0 | 0 | 116.3 | W114 G118 | W114-N116 VanDerWaalsContact C-N 3.27Å; W114-N116 PolarHBondContact O-N 3.18Å; W114-N116 VanDerWaalsContact O-N 3.15Å; N116-G118 VanDerWaalsContact C-N 3.27Å; N116-G118 PolarHBondContact O-N 2.9Å |
| 117 | L | 52.9 | Low | 44 | Very low | 46 Ų | 46 | 116.9 Ų | 116.9 | 24% | 0.241 | 63% | 0.634 | C | S | . | * | G | 310 helix | trans | -73.1 | -15.3 | 178.3 | -66.9 | 169.9 | 0 | 0 | 0 | 114 | A96 W114 L119 L120 | A96-L117 HydrophobicContact CB-CD1 4.22Å; W114-L117 HydrophobicContact CE3-CD1 3.88Å; W114-L117 HydrophobicContact CZ3-CD1 4.48Å; L117-L119 PolarHBondContact O-N 3.34Å; L117-L120 HydrophobicContact CB-CD1 4.46Å; L117-L120 HydrophobicContact CD2-CD1 3.3Å; L117-L120 HydrophobicContact CD2-CG 4.35Å; L117-L120 HydrophobicContact CG-CD1 4.46Å; L117-L120 PolarHBondContact O-N 3.4Å |
| 118 | G | 42 | Very low | 44.1 | Very low | 84 Ų | 84 | 118 Ų | 118 | 87% | 0.866 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -70.5 | -6.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N116 | N116-G118 VanDerWaalsContact C-N 3.27Å; N116-G118 PolarHBondContact O-N 2.9Å |
| 119 | L | 43.6 | Very low | 44 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -109.9 | 2.2 | 178.3 | -75.3 | 166.6 | 0 | 0 | 0 | 113.5 | L117 R121 | L117-L119 PolarHBondContact O-N 3.34Å; L119-R121 PolarHBondContact O-N 3.08Å |
| 120 | L | 46.5 | Very low | 44 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | trans | -71.7 | 71.9 | 168.8 | -71.5 | 171.4 | 0 | 0 | 0 | 109.2 | L117 P122 | L117-L120 HydrophobicContact CB-CD1 4.46Å; L117-L120 HydrophobicContact CD2-CD1 3.3Å; L117-L120 HydrophobicContact CD2-CG 4.35Å; L117-L120 HydrophobicContact CG-CD1 4.46Å; L117-L120 PolarHBondContact O-N 3.4Å; L120-P122 WeakPolarHBondContact O-CD 3.12Å | ||
| 121 | R | 39.8 | Very low | 44.2 | Very low | 229 Ų | 229 | 126.6 Ų | 126.6 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | trans | -79.6 | 102.6 | 148.7 | -68.1 | -168.4 | -172.8 | -158.4 | 2.8 | 104.8 | L119 S123 | L119-R121 PolarHBondContact O-N 3.08Å; R121-S123 PolarHBondContact O-N 2.79Å | ||
| 122 | P | 43 | Very low | 44.5 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 48% | 0.481 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -55 | 133.8 | 169.8 | 22.1 | -29.4 | 0 | 0 | 0 | 107.3 | I89 L120 | I89-P122 HydrophobicContact CD1-CB 4.49Å; I89-P122 HydrophobicContact CD1-CG 3.42Å; I89-P122 VanDerWaalsContact CD1-CG 3.42Å; I89-P122 HydrophobicContact CG1-CG 3.88Å; L120-P122 WeakPolarHBondContact O-CD 3.12Å |
| 123 | S | 37.8 | Very low | 44.3 | Very low | 80 Ų | 80 | 130.4 Ų | 130.4 | 56% | 0.559 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 134.7 | 169 | -56 | 0 | 0 | 0 | 0 | 106.7 | R121 | R121-S123 PolarHBondContact O-N 2.79Š|
| 124 | P | 42.5 | Very low | 44.6 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 137.3 | 169.5 | 20.5 | -29.4 | 0 | 0 | 0 | 108 | R126 | P124-R126 PolarHBondContact O-N 2.84Å; P124-R126 VanDerWaalsContact O-N 3.09Å |
| 125 | P | 47.6 | Very low | 44.3 | Very low | 38 Ų | 38 | 132.6 Ų | 132.6 | 25% | 0.247 | 67% | 0.668 | C | S | . | * | P | Polyproline II helix | trans | -56.6 | 123 | -175.9 | 22.7 | -33.4 | 0 | 0 | 0 | 108.9 | F127 | P125-F127 VanDerWaalsContact C-N 3.26Å; P125-F127 HydrophobicContact CB-CD2 3.86Å; P125-F127 HydrophobicContact CB-CE2 3.41Å; P125-F127 VanDerWaalsContact CB-CE2 3.41Å; P125-F127 HydrophobicContact CB-CZ 4.21Å; P125-F127 HydrophobicContact CG-CD2 4.03Å; P125-F127 HydrophobicContact CG-CE2 3.59Å; P125-F127 PolarHBondContact O-N 3.37Å |
| 126 | R | 49 | Very low | 44.5 | Very low | 205 Ų | 205 | 128 Ų | 128 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | trans | -79 | 77.9 | -176.8 | -68.6 | -170.5 | -163.4 | -169.5 | 7.9 | 109.7 | P124 K128 | P124-R126 PolarHBondContact O-N 2.84Å; P124-R126 VanDerWaalsContact O-N 3.09Å; R126-K128 PolarHBondContact O-N 3.16Å | ||
| 127 | F | 53.8 | Low | 44.7 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 29% | 0.285 | 66% | 0.661 | S | S | . | * | trans | -75.3 | 110.9 | 169.2 | -70.5 | -75.7 | 0 | 0 | 0 | 109.7 | F76 V81 P125 | F76-F127 HydrophobicContact CE1-CD1 4.49Å; F76-F127 HydrophobicContact CE2-CD1 4.3Å; F76-F127 AromaticContact CE2-CE1 3.93Å; F76-F127 HydrophobicContact CE2-CE1 3.93Å; F76-F127 HydrophobicContact CE2-CZ 4.39Å; F76-F127 AromaticContact CZ-CD1 3.67Å; F76-F127 HydrophobicContact CZ-CD1 3.67Å; F76-F127 HydrophobicContact CZ-CD2 4.39Å; F76-F127 AromaticContact CZ-CE1 3.64Å; F76-F127 HydrophobicContact CZ-CE1 3.64Å; F76-F127 HydrophobicContact CZ-CE2 4.33Å; F76-F127 HydrophobicContact CZ-CG 4.08Å; F76-F127 AromaticContact CZ-CZ 4Å; F76-F127 HydrophobicContact CZ-CZ 4Å; V81-F127 HydrophobicContact CB-CE2 4.33Å; V81-F127 HydrophobicContact CG1-CE2 3.48Å; V81-F127 VanDerWaalsContact CG1-CE2 3.48Å; V81-F127 HydrophobicContact CG1-CZ 3.65Å; V81-F127 HydrophobicContact CG2-CZ 4.46Å; P125-F127 VanDerWaalsContact C-N 3.26Å; P125-F127 HydrophobicContact CB-CD2 3.86Å; P125-F127 HydrophobicContact CB-CE2 3.41Å; P125-F127 VanDerWaalsContact CB-CE2 3.41Å; P125-F127 HydrophobicContact CB-CZ 4.21Å; P125-F127 HydrophobicContact CG-CD2 4.03Å; P125-F127 HydrophobicContact CG-CE2 3.59Å; P125-F127 PolarHBondContact O-N 3.37Å | ||
| 128 | K | 45.8 | Very low | 44.2 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 73% | 0.73 | 69% | 0.691 | S | S | * | * | trans | -85.8 | 110.9 | 162.1 | -76.4 | -176.2 | 179.5 | 177.7 | 0 | 108 | R126 F130 | R126-K128 PolarHBondContact O-N 3.16Å; K128-F130 HydrophobicContact CB-CD2 4.44Å; K128-F130 HydrophobicContact CB-CE2 3.84Å; K128-F130 HydrophobicContact CB-CZ 4.14Å; K128-F130 HydrophobicContact CD-CZ 4.29Å; K128-F130 WeakPolarHBondContact O-CD2 3.37Å; K128-F130 PolarHBondContact O-N 3.44Å | ||
| 129 | R | 42.3 | Very low | 44.3 | Very low | 238 Ų | 238 | 138.2 Ų | 138.2 | 90% | 0.898 | 68% | 0.678 | S | S | * | * | trans | -74.7 | 113.6 | 168.5 | -170.2 | 174.3 | -175.9 | 167.6 | 2.2 | 107.8 | ||||
| 130 | F | 41.2 | Very low | 44.4 | Very low | 171 Ų | 171 | 138 Ų | 138 | 75% | 0.75 | 67% | 0.673 | S | S | * | * | trans | -89.5 | 120.4 | 165.5 | -64.5 | -83.8 | 0 | 0 | 0 | 107 | K128 | K128-F130 HydrophobicContact CB-CD2 4.44Å; K128-F130 HydrophobicContact CB-CE2 3.84Å; K128-F130 HydrophobicContact CB-CZ 4.14Å; K128-F130 HydrophobicContact CD-CZ 4.29Å; K128-F130 WeakPolarHBondContact O-CD2 3.37Å; K128-F130 PolarHBondContact O-N 3.44Å | ||
| 131 | S | 43.5 | Very low | 44.2 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 100% | 1.28 | 69% | 0.689 | S | S | * | * | trans | -108.8 | 0 | 174.1 | 59.1 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 131 of 131 residues in 21.8 ms
(Link to these results)