| 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 | G | 35.3 | Very low | 41.8 | Very low | 128 Ų | 128 | 158.9 Ų | 158.9 | 100% | 1.32 | 84% | 0.838 | S | S | * | * | 0 | 97.3 | 0 | 0 | 0 | 0 | 0 | 0 | 108.6 | V3 | G1-V3 PolarHBondContact O-N 3.24Š| |||
| 2 | S | 36.2 | Very low | 45.7 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -76.2 | 103.9 | 170.9 | 166.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 3 | V | 37.8 | Very low | 49.3 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | -93.3 | 96.3 | 165.1 | -179.9 | 0 | 0 | 0 | 0 | 106.2 | G1 R5 | G1-V3 PolarHBondContact O-N 3.24Å; V3-R5 PolarHBondContact O-N 3.43Å | ||
| 4 | L | 39 | Very low | 52.6 | Low | 141 Ų | 141 | 133.9 Ų | 133.9 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | trans | -51.1 | 102.1 | 162.2 | -71.9 | 156 | 0 | 0 | 0 | 108.5 | R6 | L4-R6 PolarHBondContact O-N 2.82Š| ||
| 5 | R | 37.4 | Very low | 55.4 | Low | 234 Ų | 234 | 131.2 Ų | 131.2 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | trans | -69.6 | 95.3 | 151.4 | -78.7 | -173.4 | -171.6 | -174.8 | 2.6 | 105.6 | V3 E7 | V3-R5 PolarHBondContact O-N 3.43Å; R5-E7 VanDerWaalsContact C-N 3.26Å; R5-E7 PolarHBondContact O-N 3.19Å | ||
| 6 | R | 35.8 | Very low | 57.8 | Low | 231 Ų | 231 | 123.1 Ų | 123.1 | 87% | 0.872 | 65% | 0.647 | S | S | * | * | trans | -60.7 | 99.9 | 156.2 | -78.9 | 177.6 | 170.8 | 170.6 | -3.2 | 105.4 | L4 E8 | L4-R6 PolarHBondContact O-N 2.82Å; R6-E8 PolarHBondContact O-N 3Å; R6-E8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | E | 37.8 | Very low | 59.8 | Low | 181 Ų | 181 | 120.8 Ų | 120.8 | 85% | 0.846 | 64% | 0.639 | S | S | * | * | trans | -56.9 | 112.1 | 159 | -73.5 | 178.8 | 139.2 | 0 | 0 | 105.9 | R5 K9 | R5-E7 VanDerWaalsContact C-N 3.26Å; R5-E7 PolarHBondContact O-N 3.19Å; E7-K9 PolarHBondContact O-N 3.22Å | ||
| 8 | E | 37.2 | Very low | 61.8 | Low | 178 Ų | 178 | 116.2 Ų | 116.2 | 83% | 0.832 | 62% | 0.619 | S | S | * | * | trans | -54.3 | 113.5 | 165.2 | -75.5 | 177.9 | 133.9 | 0 | 0 | 106.7 | R6 M10 | R6-E8 PolarHBondContact O-N 3Å; R6-E8 VanDerWaalsContact O-N 3.09Å; E8-M10 VanDerWaalsContact C-N 3.27Å; E8-M10 PolarHBondContact O-N 3.45Å | ||
| 9 | K | 41.6 | Very low | 63.4 | Low | 208 Ų | 208 | 114.2 Ų | 114.2 | 90% | 0.904 | 61% | 0.605 | S | S | * | * | trans | -59.4 | 96.3 | 168 | -94.8 | -175.4 | 170.5 | -175.7 | 0 | 107 | E7 A11 | E7-K9 PolarHBondContact O-N 3.22Å; K9-A11 PolarHBondContact O-N 2.85Å | ||
| 10 | M | 52.3 | Low | 64.9 | Low | 132 Ų | 132 | 115.4 Ų | 115.4 | 65% | 0.65 | 61% | 0.605 | S | S | * | * | trans | -61.8 | 136.7 | 169.9 | -84 | -168.8 | -74.4 | 0 | 0 | 108.7 | E8 N12 K28 | E8-M10 VanDerWaalsContact C-N 3.27Å; E8-M10 PolarHBondContact O-N 3.45Å; M10-N12 PolarHBondContact O-N 2.77Å; M10-K28 WeakPolarHBondContact SD-CE 3.46Å; M10-K28 PolarHBondContact SD-NZ 3.4Å | ||
| 11 | A | 69.5 | Low | 66.3 | Low | 75 Ų | 75 | 113.1 Ų | 113.1 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | trans | -59.3 | 121.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | K9 M13 | K9-A11 PolarHBondContact O-N 2.85Å; A11-M13 PolarHBondContact O-N 3.33Å | ||
| 12 | N | 88.1 | Confident | 69 | Low | 39 Ų | 39 | 107.2 Ų | 107.2 | 21% | 0.209 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -86.5 | 10.1 | 175.5 | 70.2 | -39.8 | 0 | 0 | 0 | 112.2 | M10 A57 H60 T63 M64 F65 | M10-N12 PolarHBondContact O-N 2.77Å; N12-A57 PolarHBondContact ND2-O 3.43Å; N12-A57 PolarHBondContact OD1-O 3.48Å; N12-H60 PolarHBondContact ND2-O 3.36Å; N12-H60 VanDerWaalsContact ND2-O 3.17Å; N12-T63 WeakPolarHBondContact CB-O 3.24Å; N12-T63 PolarHBondContact ND2-O 2.78Å; N12-T63 VanDerWaalsContact ND2-O 3.13Å; N12-M64 CarbonylContact O-C 3.59Å; N12-F65 PolarHBondContact O-N 3.06Å |
| 13 | M | 93.3 | Very high | 71.7 | Confident | 53 Ų | 53 | 106.1 Ų | 106.1 | 26% | 0.261 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 124.3 | 169.3 | -171.7 | 177.7 | -179.7 | 0 | 0 | 108.9 | A11 M53 A54 A57 F65 K67 | A11-M13 PolarHBondContact O-N 3.33Å; M13-M53 HydrophobicContact CE-CB 4.12Å; M13-A54 HydrophobicContact CE-CB 4.25Å; M13-A54 VanDerWaalsContact SD-CA 3.59Å; M13-A54 HydrophobicContact SD-CB 3.85Å; M13-A57 HydrophobicContact CB-CB 3.98Å; M13-A57 HydrophobicContact SD-CB 4.49Å; M13-F65 CarbonylContact C-O 3.54Å; M13-F65 VanDerWaalsContact CA-O 3.28Å; M13-F65 WeakPolarHBondContact CA-O 3.45Å; M13-F65 HydrophobicContact CB-CB 4.31Å; M13-F65 HydrophobicContact CG-CB 4.18Å; M13-K67 HydrophobicContact CE-CD 3.64Å; M13-K67 HydrophobicContact CE-CG 4.07Å |
| 14 | V | 94.4 | Very high | 74.4 | Confident | 34 Ų | 34 | 104 Ų | 104 | 21% | 0.206 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 166.2 | -176.2 | -61.6 | 0 | 0 | 0 | 0 | 111 | F25 M64 F65 V66 K67 | V14-F25 HydrophobicContact CB-CE1 4.25Å; V14-F25 HydrophobicContact CB-CE2 4.11Å; V14-F25 HydrophobicContact CB-CZ 3.93Å; V14-F25 HydrophobicContact CG1-CE1 4.41Å; V14-F25 HydrophobicContact CG2-CD1 4.03Å; V14-F25 HydrophobicContact CG2-CD2 3.67Å; V14-F25 HydrophobicContact CG2-CE1 4.01Å; V14-F25 HydrophobicContact CG2-CE2 3.65Å; V14-F25 HydrophobicContact CG2-CG 3.88Å; V14-F25 HydrophobicContact CG2-CZ 3.83Å; V14-M64 HydrophobicContact CG1-CE 4.25Å; V14-M64 HydrophobicContact CG2-CE 3.47Å; V14-M64 VanDerWaalsContact CG2-CE 3.47Å; V14-F65 PolarHBondContact N-O 3.27Å; V14-V66 HydrophobicContact CG2-CB 4.39Å; V14-V66 HydrophobicContact CG2-CG1 4.38Å; V14-V66 HydrophobicContact CG2-CG2 3.86Å; V14-V66 CarbonylContact O-C 3.58Å; V14-V66 WeakPolarHBondContact O-CA 3.2Å; V14-K67 PolarHBondContact O-N 3.24Å |
| 15 | E | 95.3 | Very high | 76.9 | Confident | 94 Ų | 94 | 99 Ų | 99 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 124.3 | 175.7 | -170 | 161.2 | 145.6 | 0 | 0 | 109.9 | T17 K67 | E15-T17 HydrophobicContact CG-CG2 4.49Å; E15-K67 CarbonylContact C-O 3.59Å; E15-K67 WeakPolarHBondContact CA-O 3.41Å; E15-K67 HydrophobicContact CB-CB 4.43Å; E15-K67 HydrophobicContact CG-CB 4.17Å; E15-K67 IonicContact OE2-NZ 2.73Å; E15-K67 PolarHBondContact OE2-NZ 3.42Å |
| 16 | A | 93.8 | Very high | 79.4 | Confident | 2 Ų | 2 | 88.7 Ų | 88.7 | 2% | 0.017 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | H21 F22 F25 V66 K67 L68 | A16-H21 HydrophobicContact CB-CB 4.09Å; A16-F22 HydrophobicContact CB-CB 4.32Å; A16-F25 HydrophobicContact CB-CD2 3.93Å; A16-F25 HydrophobicContact CB-CE2 3.91Å; A16-V66 HydrophobicContact CB-CG1 3.78Å; A16-K67 PolarHBondContact N-O 3.25Å; A16-L68 HydrophobicContact CB-CD1 3.43Å; A16-L68 VanDerWaalsContact CB-CD1 3.43Å; A16-L68 WeakPolarHBondContact O-CD1 3.45Å |
| 17 | T | 92.6 | Very high | 82 | Confident | 84 Ų | 84 | 81.5 Ų | 81.5 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | trans | -118.4 | 2.6 | -177.5 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | E15 H21 | E15-T17 HydrophobicContact CG-CG2 4.49Å; T17-H21 PolarHBondContact OG1-CE1 2.93Å; T17-H21 PolarHBondContact OG1-ND1 2.93Å | ||
| 18 | S | 94.3 | Very high | 84.3 | Confident | 38 Ų | 38 | 78.9 Ų | 78.9 | 27% | 0.266 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -154.4 | 160.6 | 177.9 | 67.8 | 0 | 0 | 0 | 0 | 110.2 | K20 H21 F22 | S18-K20 PolarHBondContact O-N 3.32Å; S18-H21 PolarHBondContact O-N 3.39Å; S18-H21 VanDerWaalsContact OG-CG 3.32Å; S18-H21 PolarHBondContact OG-N 3.31Å; S18-H21 VanDerWaalsContact OG-N 3.14Å; S18-F22 PolarHBondContact O-N 3.4Å; S18-F22 VanDerWaalsContact O-N 3.08Å |
| 19 | Q | 93 | Very high | 86.5 | Confident | 77 Ų | 77 | 71 Ų | 71 | 36% | 0.36 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -53.8 | -41.5 | 171.1 | 177.5 | 179.3 | -6 | 0 | 0 | 111.8 | H21 F22 E23 V76 | Q19-H21 PolarHBondContact O-N 3.1Å; Q19-F22 WeakPolarHBondContact O-CB 3.43Å; Q19-F22 PolarHBondContact O-N 3.04Å; Q19-E23 HydrophobicContact CG-CG 4.5Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.38Å; Q19-E23 PolarHBondContact NE2-OE1 2.91Å; Q19-E23 WeakPolarHBondContact O-CG 3.44Å; Q19-E23 PolarHBondContact O-N 3.09Å; Q19-V76 HydrophobicContact CB-CG2 3.8Å; Q19-V76 HydrophobicContact CG-CG2 3.86Å |
| 20 | K | 93.4 | Very high | 88.5 | Confident | 138 Ų | 138 | 62.7 Ų | 62.7 | 60% | 0.6 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 179.4 | -167.7 | -172.9 | -179.4 | -154.9 | 0 | 111.8 | S18 F22 E23 E24 | S18-K20 PolarHBondContact O-N 3.32Å; K20-F22 VanDerWaalsContact C-N 3.34Å; K20-F22 PolarHBondContact O-N 2.97Å; K20-E23 PolarHBondContact O-N 3.11Å; K20-E24 WeakPolarHBondContact CE-OE1 3.47Å; K20-E24 IonicContact NZ-OE1 3.93Å; K20-E24 WeakPolarHBondContact O-CB 3.44Å; K20-E24 VanDerWaalsContact O-CG 3.26Å; K20-E24 WeakPolarHBondContact O-CG 3.39Å; K20-E24 PolarHBondContact O-N 3.19Å |
| 21 | H | 93.4 | Very high | 89.9 | Confident | 68 Ų | 68 | 65 Ų | 65 | 32% | 0.315 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.5 | -41.7 | 176 | -69.3 | 169.5 | 0 | 0 | 0 | 111.8 | A16 T17 S18 Q19 E23 E24 F25 | A16-H21 HydrophobicContact CB-CB 4.09Å; T17-H21 PolarHBondContact OG1-CE1 2.93Å; T17-H21 PolarHBondContact OG1-ND1 2.93Å; S18-H21 PolarHBondContact O-N 3.39Å; S18-H21 VanDerWaalsContact OG-CG 3.32Å; S18-H21 PolarHBondContact OG-N 3.31Å; S18-H21 VanDerWaalsContact OG-N 3.14Å; Q19-H21 PolarHBondContact O-N 3.1Å; H21-E23 PolarHBondContact O-N 2.92Å; H21-E24 IonicContact CD2-OE2 3.75Å; H21-E24 PolarHBondContact O-N 3.44Å; H21-F25 HydrophobicContact CB-CE2 4.14Å; H21-F25 WeakPolarHBondContact O-CB 3.49Å; H21-F25 WeakPolarHBondContact O-CD2 3.37Å; H21-F25 VanDerWaalsContact O-CG 3.23Å; H21-F25 WeakPolarHBondContact O-CG 3.46Å; H21-F25 PolarHBondContact O-N 3.29Å |
| 22 | F | 93.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.7 | 169.4 | -94.3 | 0 | 0 | 0 | 111.6 | A16 S18 Q19 K20 F25 L26 V36 L68 V76 Y80 F91 | A16-F22 HydrophobicContact CB-CB 4.32Å; S18-F22 PolarHBondContact O-N 3.4Å; S18-F22 VanDerWaalsContact O-N 3.08Å; Q19-F22 WeakPolarHBondContact O-CB 3.43Å; Q19-F22 PolarHBondContact O-N 3.04Å; K20-F22 VanDerWaalsContact C-N 3.34Å; K20-F22 PolarHBondContact O-N 2.97Å; F22-F25 PolarHBondContact O-N 3.3Å; F22-L26 HydrophobicContact CD1-CD1 4.2Å; F22-L26 HydrophobicContact CE1-CD1 3.48Å; F22-L26 VanDerWaalsContact CE1-CD1 3.48Å; F22-L26 HydrophobicContact CE1-CG 4.39Å; F22-L26 HydrophobicContact CE2-CD1 4.14Å; F22-L26 HydrophobicContact CE2-CG 4.46Å; F22-L26 HydrophobicContact CZ-CD1 3.46Å; F22-L26 VanDerWaalsContact CZ-CD1 3.46Å; F22-L26 HydrophobicContact CZ-CG 4.24Å; F22-L26 WeakPolarHBondContact O-CG 3.4Å; F22-L26 PolarHBondContact O-N 2.95Å; F22-L26 VanDerWaalsContact O-N 3.07Å; F22-V36 HydrophobicContact CD2-CG1 4.22Å; F22-V36 HydrophobicContact CE2-CB 4.43Å; F22-V36 HydrophobicContact CE2-CG1 3.96Å; F22-V36 HydrophobicContact CE2-CG2 3.96Å; F22-L68 HydrophobicContact CB-CD1 4.41Å; F22-L68 HydrophobicContact CD2-CD2 4.03Å; F22-L68 HydrophobicContact CE2-CD2 4.49Å; F22-V76 HydrophobicContact CD1-CG1 3.99Å; F22-V76 HydrophobicContact CD1-CG2 4.35Å; F22-V76 HydrophobicContact CD2-CG1 4.21Å; F22-V76 HydrophobicContact CE1-CG1 3.98Å; F22-V76 HydrophobicContact CE2-CG1 4.17Å; F22-V76 HydrophobicContact CG-CG1 4.11Å; F22-V76 HydrophobicContact CZ-CG1 4.06Å; F22-Y80 AromaticContact CE1-CE2 3.64Å; F22-Y80 HydrophobicContact CE1-CE2 3.64Å; F22-Y80 HydrophobicContact CZ-CD2 4.32Å; F22-Y80 AromaticContact CZ-CE2 3.46Å; F22-Y80 HydrophobicContact CZ-CE2 3.46Å; F22-Y80 VanDerWaalsContact CZ-CE2 3.46Å; F22-Y80 AromaticContact CZ-CZ 3.97Å; F22-F91 HydrophobicContact CE2-CE2 4.36Å; F22-F91 HydrophobicContact CE2-CZ 4.47Å; F22-F91 HydrophobicContact CZ-CE2 4.21Å; F22-F91 AromaticContact CZ-CZ 3.88Å; F22-F91 HydrophobicContact CZ-CZ 3.88Å |
| 23 | E | 92.8 | Very high | 91 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 177.9 | -69.5 | 173 | -178.4 | 0 | 0 | 112.3 | Q19 K20 H21 F25 L26 A27 | Q19-E23 HydrophobicContact CG-CG 4.5Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.38Å; Q19-E23 PolarHBondContact NE2-OE1 2.91Å; Q19-E23 WeakPolarHBondContact O-CG 3.44Å; Q19-E23 PolarHBondContact O-N 3.09Å; K20-E23 PolarHBondContact O-N 3.11Å; H21-E23 PolarHBondContact O-N 2.92Å; E23-F25 VanDerWaalsContact C-N 3.34Å; E23-F25 PolarHBondContact O-N 3.48Å; E23-L26 PolarHBondContact O-N 3.12Å; E23-A27 WeakPolarHBondContact O-CB 3.46Å; E23-A27 PolarHBondContact O-N 3.48Å |
| 24 | E | 93.1 | Very high | 91.1 | Very high | 87 Ų | 87 | 60.3 Ų | 60.3 | 41% | 0.407 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 175.8 | -76.6 | 172.3 | 179.8 | 0 | 0 | 111.8 | K20 H21 A27 K28 | K20-E24 WeakPolarHBondContact CE-OE1 3.47Å; K20-E24 IonicContact NZ-OE1 3.93Å; K20-E24 WeakPolarHBondContact O-CB 3.44Å; K20-E24 VanDerWaalsContact O-CG 3.26Å; K20-E24 WeakPolarHBondContact O-CG 3.39Å; K20-E24 PolarHBondContact O-N 3.19Å; H21-E24 IonicContact CD2-OE2 3.75Å; H21-E24 PolarHBondContact O-N 3.44Å; E24-A27 PolarHBondContact O-N 3.25Å; E24-K28 WeakPolarHBondContact O-CB 3.38Å; E24-K28 PolarHBondContact O-N 2.64Å |
| 25 | F | 92.6 | Very high | 91.3 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70 | -40.3 | 178.2 | -67.8 | -33.8 | 0 | 0 | 0 | 113.1 | V14 A16 H21 F22 E23 A27 K28 A29 M64 V66 | V14-F25 HydrophobicContact CB-CE1 4.25Å; V14-F25 HydrophobicContact CB-CE2 4.11Å; V14-F25 HydrophobicContact CB-CZ 3.93Å; V14-F25 HydrophobicContact CG1-CE1 4.41Å; V14-F25 HydrophobicContact CG2-CD1 4.03Å; V14-F25 HydrophobicContact CG2-CD2 3.67Å; V14-F25 HydrophobicContact CG2-CE1 4.01Å; V14-F25 HydrophobicContact CG2-CE2 3.65Å; V14-F25 HydrophobicContact CG2-CG 3.88Å; V14-F25 HydrophobicContact CG2-CZ 3.83Å; A16-F25 HydrophobicContact CB-CD2 3.93Å; A16-F25 HydrophobicContact CB-CE2 3.91Å; H21-F25 HydrophobicContact CB-CE2 4.14Å; H21-F25 WeakPolarHBondContact O-CB 3.49Å; H21-F25 WeakPolarHBondContact O-CD2 3.37Å; H21-F25 VanDerWaalsContact O-CG 3.23Å; H21-F25 WeakPolarHBondContact O-CG 3.46Å; H21-F25 PolarHBondContact O-N 3.29Å; F22-F25 PolarHBondContact O-N 3.3Å; E23-F25 VanDerWaalsContact C-N 3.34Å; E23-F25 PolarHBondContact O-N 3.48Å; F25-A27 VanDerWaalsContact C-N 3.34Å; F25-K28 PolarHBondContact O-N 3.17Å; F25-A29 WeakPolarHBondContact O-CB 3.3Å; F25-A29 PolarHBondContact O-N 2.92Å; F25-M64 HydrophobicContact CB-CE 3.59Å; F25-M64 HydrophobicContact CD1-CE 3.51Å; F25-M64 HydrophobicContact CE1-CE 4.37Å; F25-M64 HydrophobicContact CG-CE 3.66Å; F25-V66 HydrophobicContact CB-CG2 4.17Å; F25-V66 HydrophobicContact CD2-CG1 4.04Å; F25-V66 HydrophobicContact CD2-CG2 4.44Å |
| 26 | L | 90.4 | Very high | 91.4 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -42.7 | 173.1 | -71.1 | -175.8 | 0 | 0 | 0 | 111.7 | F22 E23 T34 F91 | F22-L26 HydrophobicContact CD1-CD1 4.2Å; F22-L26 HydrophobicContact CE1-CD1 3.48Å; F22-L26 VanDerWaalsContact CE1-CD1 3.48Å; F22-L26 HydrophobicContact CE1-CG 4.39Å; F22-L26 HydrophobicContact CE2-CD1 4.14Å; F22-L26 HydrophobicContact CE2-CG 4.46Å; F22-L26 HydrophobicContact CZ-CD1 3.46Å; F22-L26 VanDerWaalsContact CZ-CD1 3.46Å; F22-L26 HydrophobicContact CZ-CG 4.24Å; F22-L26 WeakPolarHBondContact O-CG 3.4Å; F22-L26 PolarHBondContact O-N 2.95Å; F22-L26 VanDerWaalsContact O-N 3.07Å; E23-L26 PolarHBondContact O-N 3.12Å; L26-T34 HydrophobicContact CD2-CG2 3.93Å; L26-F91 HydrophobicContact CD1-CD1 4.08Å; L26-F91 HydrophobicContact CD1-CE1 4.1Å; L26-F91 HydrophobicContact CD1-CG 4.4Å; L26-F91 HydrophobicContact CD1-CZ 4.44Å; L26-F91 HydrophobicContact CD2-CB 3.72Å; L26-F91 HydrophobicContact CD2-CD1 4.08Å; L26-F91 HydrophobicContact CD2-CD2 3.76Å; L26-F91 HydrophobicContact CD2-CE2 4.37Å; L26-F91 HydrophobicContact CD2-CG 3.59Å |
| 27 | A | 88.9 | Confident | 91.6 | Very high | 80 Ų | 80 | 54.1 Ų | 54.1 | 66% | 0.661 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E23 E24 F25 G30 | E23-A27 WeakPolarHBondContact O-CB 3.46Å; E23-A27 PolarHBondContact O-N 3.48Å; E24-A27 PolarHBondContact O-N 3.25Å; F25-A27 VanDerWaalsContact C-N 3.34Å; A27-G30 PolarHBondContact O-N 3.22Å |
| 28 | K | 87.4 | Confident | 91.8 | Very high | 127 Ų | 127 | 50.1 Ų | 50.1 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.1 | -36.5 | 179.9 | -174.2 | 178.1 | -179.6 | -178.7 | 0 | 112.9 | M10 E24 F25 G30 | M10-K28 WeakPolarHBondContact SD-CE 3.46Å; M10-K28 PolarHBondContact SD-NZ 3.4Å; E24-K28 WeakPolarHBondContact O-CB 3.38Å; E24-K28 PolarHBondContact O-N 2.64Å; F25-K28 PolarHBondContact O-N 3.17Å; K28-G30 PolarHBondContact O-N 2.77Å |
| 29 | A | 83.8 | Confident | 91.9 | Very high | 12 Ų | 12 | 48.9 Ų | 48.9 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -26 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F25 K31 C32 T34 M64 | F25-A29 WeakPolarHBondContact O-CB 3.3Å; F25-A29 PolarHBondContact O-N 2.92Å; A29-K31 PolarHBondContact O-N 3.24Å; A29-K31 VanDerWaalsContact O-N 3.12Å; A29-C32 VanDerWaalsContact O-CB 3.27Å; A29-C32 WeakPolarHBondContact O-CB 3.47Å; A29-C32 PolarHBondContact O-N 3.18Å; A29-T34 WeakPolarHBondContact CB-OG1 3.21Å; A29-M64 HydrophobicContact CB-CB 4.19Å; A29-M64 HydrophobicContact CB-SD 3.85Å |
| 30 | G | 82.6 | Confident | 91.9 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 35% | 0.351 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | -118.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A27 K28 A93 | A27-G30 PolarHBondContact O-N 3.22Å; K28-G30 PolarHBondContact O-N 2.77Å; G30-A93 WeakPolarHBondContact O-CA 3.37Å; G30-A93 PolarHBondContact O-N 3.02Å; G30-A93 VanDerWaalsContact O-N 3.12Å |
| 31 | K | 81.6 | Confident | 91.7 | Very high | 181 Ų | 181 | 43 Ų | 43 | 79% | 0.787 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -9.1 | -178.8 | -64.2 | -175.7 | -179.3 | 179.9 | 0 | 114.1 | A29 | A29-K31 PolarHBondContact O-N 3.24Å; A29-K31 VanDerWaalsContact O-N 3.12Å |
| 32 | C | 86.6 | Confident | 91.5 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -68.8 | 152.2 | 177.2 | -67.8 | 0 | 0 | 0 | 0 | 110.7 | A29 T34 G62 | A29-C32 VanDerWaalsContact O-CB 3.27Å; A29-C32 WeakPolarHBondContact O-CB 3.47Å; A29-C32 PolarHBondContact O-N 3.18Å; C32-T34 PolarHBondContact O-N 2.75Å; C32-G62 WeakPolarHBondContact CB-O 3.35Å; C32-G62 PolarHBondContact SG-O 2.88Å |
| 33 | L | 94.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 134.4 | 169.2 | 178.6 | 66.1 | 0 | 0 | 0 | 108.7 | V35 T63 M64 F90 F91 V112 L115 A116 | L33-V35 HydrophobicContact CD2-CG2 4.18Å; L33-V35 HydrophobicContact CG-CG2 4.2Å; L33-T63 HydrophobicContact CB-CG2 4Å; L33-T63 HydrophobicContact CD2-CG2 3.85Å; L33-T63 HydrophobicContact CG-CG2 3.89Å; L33-T63 CarbonylContact O-C 3.56Å; L33-T63 WeakPolarHBondContact O-CA 3.3Å; L33-T63 WeakPolarHBondContact O-CG2 3.33Å; L33-M64 PolarHBondContact O-N 3.08Å; L33-F90 HydrophobicContact CD1-CB 4.27Å; L33-F90 HydrophobicContact CD1-CD1 4.44Å; L33-F91 CarbonylContact C-O 3.53Å; L33-F91 WeakPolarHBondContact CA-O 3.35Å; L33-V112 HydrophobicContact CD2-CG1 4.46Å; L33-L115 HydrophobicContact CD1-CB 3.74Å; L33-L115 HydrophobicContact CD1-CD1 4.23Å; L33-L115 HydrophobicContact CD2-CB 3.68Å; L33-L115 HydrophobicContact CG-CB 4.33Å; L33-A116 HydrophobicContact CD2-CB 4.22Å |
| 34 | T | 96.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128 | 169.1 | -50.1 | 0 | 0 | 0 | 0 | 109.9 | L26 A29 C32 V36 M64 V66 F90 F91 | L26-T34 HydrophobicContact CD2-CG2 3.93Å; A29-T34 WeakPolarHBondContact CB-OG1 3.21Å; C32-T34 PolarHBondContact O-N 2.75Å; T34-V36 HydrophobicContact CG2-CG2 4.15Å; T34-M64 CarbonylContact C-O 3.53Å; T34-M64 WeakPolarHBondContact CA-O 3.41Å; T34-M64 HydrophobicContact CG2-CB 4.16Å; T34-M64 HydrophobicContact CG2-CG 4.27Å; T34-V66 HydrophobicContact CG2-CG2 3.75Å; T34-F90 CarbonylContact O-C 3.57Å; T34-F90 WeakPolarHBondContact O-CA 3.47Å; T34-F91 PolarHBondContact N-O 2.9Å; T34-F91 PolarHBondContact O-N 3.25Å |
| 35 | V | 97.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.2 | 177.9 | -172.6 | 0 | 0 | 0 | 0 | 107.9 | L33 M53 T63 M64 F65 V66 L89 F90 L108 V112 | L33-V35 HydrophobicContact CD2-CG2 4.18Å; L33-V35 HydrophobicContact CG-CG2 4.2Å; V35-M53 HydrophobicContact CB-CE 4.34Å; V35-M53 HydrophobicContact CG1-CE 4.07Å; V35-M53 HydrophobicContact CG1-SD 3.88Å; V35-T63 HydrophobicContact CG2-CG2 3.8Å; V35-M64 PolarHBondContact N-O 3.47Å; V35-F65 HydrophobicContact CB-CD1 3.86Å; V35-F65 HydrophobicContact CB-CE1 4.12Å; V35-F65 HydrophobicContact CG1-CD1 4.41Å; V35-F65 HydrophobicContact CG2-CD1 4.15Å; V35-F65 HydrophobicContact CG2-CE1 3.93Å; V35-F65 CarbonylContact O-C 3.57Å; V35-F65 WeakPolarHBondContact O-CA 3.33Å; V35-V66 PolarHBondContact O-N 2.86Å; V35-L89 CarbonylContact C-O 3.48Å; V35-L89 WeakPolarHBondContact CA-O 3.47Å; V35-F90 HydrophobicContact CG1-CD1 4.28Å; V35-F90 HydrophobicContact CG1-CE1 4.03Å; V35-F90 HydrophobicContact CG1-CZ 4.48Å; V35-F90 HydrophobicContact CG2-CD1 3.94Å; V35-F90 HydrophobicContact CG2-CE1 4.12Å; V35-L108 HydrophobicContact CG1-CD1 4.03Å; V35-V112 HydrophobicContact CG2-CG2 3.81Å |
| 36 | V | 97.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 117.1 | -177.3 | -172.6 | 0 | 0 | 0 | 0 | 109.2 | F22 T34 F38 V66 L68 F88 L89 F91 | F22-V36 HydrophobicContact CD2-CG1 4.22Å; F22-V36 HydrophobicContact CE2-CB 4.43Å; F22-V36 HydrophobicContact CE2-CG1 3.96Å; F22-V36 HydrophobicContact CE2-CG2 3.96Å; T34-V36 HydrophobicContact CG2-CG2 4.15Å; V36-F38 HydrophobicContact CB-CE2 4.24Å; V36-F38 HydrophobicContact CG1-CD2 4.13Å; V36-F38 HydrophobicContact CG1-CE2 3.71Å; V36-F38 HydrophobicContact CG1-CZ 4.35Å; V36-V66 CarbonylContact C-O 3.45Å; V36-V66 VanDerWaalsContact CA-O 3.31Å; V36-V66 WeakPolarHBondContact CA-O 3.46Å; V36-V66 HydrophobicContact CB-CB 4.49Å; V36-V66 HydrophobicContact CG1-CB 4.3Å; V36-V66 HydrophobicContact CG1-CG1 4.36Å; V36-V66 HydrophobicContact CG2-CB 4.15Å; V36-V66 HydrophobicContact CG2-CG2 4.5Å; V36-L68 HydrophobicContact CG1-CB 4.09Å; V36-L68 HydrophobicContact CG1-CD2 4.11Å; V36-F88 CarbonylContact O-C 3.52Å; V36-F88 VanDerWaalsContact O-CA 3.24Å; V36-F88 WeakPolarHBondContact O-CA 2.99Å; V36-L89 PolarHBondContact N-O 3.43Å; V36-L89 PolarHBondContact O-N 3.09Å; V36-F91 HydrophobicContact CB-CE2 4.32Å; V36-F91 HydrophobicContact CG2-CD2 3.8Å; V36-F91 HydrophobicContact CG2-CE2 3.73Å |
| 37 | H | 97.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 107.3 | 176.2 | 176.2 | -151.5 | 0 | 0 | 0 | 110.1 | H39 N50 M53 V66 L68 P86 F88 | H37-H39 PolarHBondContact O-N 3.26Å; H37-N50 PolarHBondContact CE1-OD1 3.27Å; H37-N50 PolarHBondContact ND1-OD1 3.42Å; H37-M53 HydrophobicContact CB-CE 3.81Å; H37-M53 HydrophobicContact CB-CG 4.41Å; H37-M53 HydrophobicContact CB-SD 4.38Å; H37-V66 PolarHBondContact N-O 3.38Å; H37-L68 PolarHBondContact O-N 3.09Å; H37-P86 WeakPolarHBondContact NE2-CB 3.48Å; H37-F88 HydrophobicContact CB-CD1 3.79Å; H37-F88 HydrophobicContact CB-CE1 3.63Å; H37-F88 AromaticContact CD2-CD1 3.9Å; H37-F88 AromaticContact CD2-CE1 3.23Å; H37-F88 WeakPolarHBondContact CD2-CE1 3.02Å; H37-F88 AromaticContact CD2-CZ 3.3Å; H37-F88 WeakPolarHBondContact CD2-CZ 3.2Å; H37-F88 AromaticContact CG-CE1 3.38Å; H37-F88 AromaticContact CG-CZ 3.92Å; H37-F88 AromaticContact NE2-CE1 3.85Å; H37-F88 AromaticContact NE2-CZ 3.54Å |
| 38 | F | 97.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 113.2 | 168.1 | -69.5 | -102.9 | 0 | 0 | 0 | 108.6 | V36 L68 A70 V76 Y80 I82 P86 T87 L89 | V36-F38 HydrophobicContact CB-CE2 4.24Å; V36-F38 HydrophobicContact CG1-CD2 4.13Å; V36-F38 HydrophobicContact CG1-CE2 3.71Å; V36-F38 HydrophobicContact CG1-CZ 4.35Å; F38-L68 CarbonylContact C-O 3.59Å; F38-L68 VanDerWaalsContact CA-O 3.26Å; F38-L68 WeakPolarHBondContact CA-O 3.22Å; F38-L68 HydrophobicContact CD1-CD2 3.73Å; F38-L68 HydrophobicContact CD1-CG 4.49Å; F38-L68 HydrophobicContact CE1-CD2 3.26Å; F38-L68 HydrophobicContact CE1-CG 4.41Å; F38-L68 HydrophobicContact CE2-CD2 4.15Å; F38-L68 HydrophobicContact CG-CD2 4.39Å; F38-L68 HydrophobicContact CZ-CD2 3.5Å; F38-L68 VanDerWaalsContact CZ-CD2 3.5Å; F38-A70 HydrophobicContact CB-CB 4.36Å; F38-A70 HydrophobicContact CD1-CB 4.36Å; F38-V76 HydrophobicContact CE1-CG1 3.96Å; F38-V76 HydrophobicContact CZ-CG1 3.9Å; F38-Y80 HydrophobicContact CZ-CD2 4.35Å; F38-I82 HydrophobicContact CB-CG2 4.05Å; F38-I82 HydrophobicContact CD1-CB 4.37Å; F38-I82 HydrophobicContact CD1-CD1 4.15Å; F38-I82 HydrophobicContact CD1-CG1 3.66Å; F38-I82 HydrophobicContact CD1-CG2 4.15Å; F38-I82 HydrophobicContact CD2-CD1 3.97Å; F38-I82 HydrophobicContact CD2-CG1 4.38Å; F38-I82 HydrophobicContact CE1-CD1 4.26Å; F38-I82 HydrophobicContact CE1-CG1 3.7Å; F38-I82 HydrophobicContact CE2-CD1 4.14Å; F38-I82 HydrophobicContact CE2-CG1 4.47Å; F38-I82 HydrophobicContact CG-CD1 3.98Å; F38-I82 HydrophobicContact CG-CG1 3.99Å; F38-I82 HydrophobicContact CG-CG2 4.24Å; F38-I82 HydrophobicContact CZ-CD1 4.27Å; F38-I82 HydrophobicContact CZ-CG1 4.14Å; F38-P86 WeakPolarHBondContact O-CA 3.37Å; F38-T87 PolarHBondContact N-O 3.3Å; F38-T87 PolarHBondContact O-N 3.37Å; F38-L89 HydrophobicContact CD2-CD1 4.36Å; F38-L89 HydrophobicContact CD2-CG 4.23Å; F38-L89 HydrophobicContact CE2-CB 4.33Å; F38-L89 HydrophobicContact CE2-CD1 3.45Å; F38-L89 VanDerWaalsContact CE2-CD1 3.45Å; F38-L89 HydrophobicContact CE2-CG 3.72Å; F38-L89 HydrophobicContact CZ-CD1 3.91Å |
| 39 | H | 96.3 | Very high | 89.4 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 169 | -174.5 | 71.2 | 79.3 | 0 | 0 | 0 | 112.5 | H37 C46 L68 E69 A70 | H37-H39 PolarHBondContact O-N 3.26Å; H39-C46 HydrophobicContact CB-CB 3.88Å; H39-L68 PolarHBondContact CD2-O 2.92Å; H39-L68 PolarHBondContact N-O 3Å; H39-E69 CarbonylContact O-C 3.58Å; H39-E69 VanDerWaalsContact O-CA 3.32Å; H39-E69 WeakPolarHBondContact O-CA 3.21Å; H39-A70 PolarHBondContact O-N 2.61Å |
| 40 | A | 92.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 25% | 0.253 | C | S | . | . | trans | -138.8 | 141.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | W42 A43 V85 | A40-W42 HydrophobicContact CB-CD2 4.07Å; A40-W42 HydrophobicContact CB-CG 4.19Å; A40-W42 HydrophobicContact CB-CZ2 3.94Å; A40-W42 VanDerWaalsContact CB-NE1 3.33Å; A40-W42 PolarHBondContact O-N 3.4Å; A40-A43 PolarHBondContact O-N 2.61Å; A40-V85 HydrophobicContact CB-CG2 3.82Å | ||
| 41 | A | 90.2 | Very high | 90 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 75% | 0.752 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A43 E69 | A41-A43 VanDerWaalsContact C-N 3.29Å; A41-A43 PolarHBondContact O-N 2.98Å; A41-E69 PolarHBondContact N-OE1 3.18Å |
| 42 | W | 88 | Confident | 90.4 | Very high | 170 Ų | 170 | 43.6 Ų | 43.6 | 64% | 0.644 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.6 | -179.7 | 57.1 | -107.2 | 0 | 0 | 0 | 113.9 | A40 P44 E71 V85 | A40-W42 HydrophobicContact CB-CD2 4.07Å; A40-W42 HydrophobicContact CB-CG 4.19Å; A40-W42 HydrophobicContact CB-CZ2 3.94Å; A40-W42 VanDerWaalsContact CB-NE1 3.33Å; A40-W42 PolarHBondContact O-N 3.4Å; W42-P44 WeakPolarHBondContact O-CD 3.47Å; W42-E71 PolarHBondContact NE1-OE1 2.68Å; W42-V85 HydrophobicContact CH2-CG2 3.79Å; W42-V85 HydrophobicContact CZ2-CG2 3.83Å |
| 43 | A | 85.8 | Confident | 90.7 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.025 | 22% | 0.221 | C | C | . | . | trans | -96.3 | 109.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | A40 A41 Q45 C46 V85 | A40-A43 PolarHBondContact O-N 2.61Å; A41-A43 VanDerWaalsContact C-N 3.29Å; A41-A43 PolarHBondContact O-N 2.98Å; A43-Q45 PolarHBondContact O-N 3.23Å; A43-Q45 VanDerWaalsContact O-N 3.14Å; A43-C46 HydrophobicContact CB-CB 4.22Å; A43-C46 VanDerWaalsContact O-CB 3.27Å; A43-C46 WeakPolarHBondContact O-CB 3.42Å; A43-C46 PolarHBondContact O-N 3.43Å; A43-V85 HydrophobicContact CB-CG2 4.25Å | ||
| 44 | P | 83.9 | Confident | 90.5 | Very high | 95 Ų | 95 | 42.1 Ų | 42.1 | 62% | 0.617 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58.2 | -33.3 | -177.2 | -25.8 | 35.3 | 0 | 0 | 0 | 113.7 | W42 C46 G47 Q48 | W42-P44 WeakPolarHBondContact O-CD 3.47Å; P44-C46 VanDerWaalsContact C-N 3.26Å; P44-C46 PolarHBondContact O-N 3.33Å; P44-G47 PolarHBondContact O-N 3Å; P44-G47 VanDerWaalsContact O-N 3.14Å; P44-Q48 PolarHBondContact O-N 2.83Å |
| 45 | Q | 76.8 | Confident | 89.9 | Confident | 94 Ų | 94 | 46.2 Ų | 46.2 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.1 | -28.8 | 178.6 | -57.4 | 83.3 | -4 | 0 | 0 | 112 | A43 G47 Q48 M49 A103 | A43-Q45 PolarHBondContact O-N 3.23Å; A43-Q45 VanDerWaalsContact O-N 3.14Å; Q45-G47 VanDerWaalsContact C-N 3.33Å; Q45-Q48 PolarHBondContact O-N 3.01Å; Q45-M49 VanDerWaalsContact O-CG 3.31Å; Q45-M49 WeakPolarHBondContact O-CG 3.34Å; Q45-M49 PolarHBondContact O-N 2.89Å; Q45-A103 HydrophobicContact CB-CB 3.71Å; Q45-A103 HydrophobicContact CG-CB 4.3Å |
| 46 | C | 90.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.2 | -38 | 173 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | H39 A43 P44 M49 N50 | H39-C46 HydrophobicContact CB-CB 3.88Å; A43-C46 HydrophobicContact CB-CB 4.22Å; A43-C46 VanDerWaalsContact O-CB 3.27Å; A43-C46 WeakPolarHBondContact O-CB 3.42Å; A43-C46 PolarHBondContact O-N 3.43Å; P44-C46 VanDerWaalsContact C-N 3.26Å; P44-C46 PolarHBondContact O-N 3.33Å; C46-M49 PolarHBondContact O-N 3.37Å; C46-N50 PolarHBondContact O-N 3.23Å; C46-N50 PolarHBondContact O-ND2 3.25Å |
| 47 | G | 84.9 | Confident | 89.2 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P44 Q45 M49 N50 E51 | P44-G47 PolarHBondContact O-N 3Å; P44-G47 VanDerWaalsContact O-N 3.14Å; Q45-G47 VanDerWaalsContact C-N 3.33Å; G47-M49 VanDerWaalsContact C-N 3.34Å; G47-M49 PolarHBondContact O-N 2.92Å; G47-N50 WeakPolarHBondContact O-CB 3.42Å; G47-N50 PolarHBondContact O-N 3.27Å; G47-E51 PolarHBondContact O-N 3.42Å |
| 48 | Q | 81.1 | Confident | 88.6 | Confident | 124 Ų | 124 | 53.3 Ų | 53.3 | 58% | 0.579 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.2 | -44.9 | 176 | -64.3 | 175.4 | 4.7 | 0 | 0 | 111.6 | P44 Q45 N50 E51 V52 | P44-Q48 PolarHBondContact O-N 2.83Å; Q45-Q48 PolarHBondContact O-N 3.01Å; Q48-N50 VanDerWaalsContact C-N 3.29Å; Q48-N50 PolarHBondContact O-N 3.13Å; Q48-E51 WeakPolarHBondContact O-CB 3.24Å; Q48-E51 PolarHBondContact O-N 3.13Å; Q48-E51 VanDerWaalsContact O-N 3.16Å; Q48-V52 PolarHBondContact O-N 2.88Å |
| 49 | M | 91.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70.1 | -25.2 | 179.9 | -67 | -56.3 | -66.6 | 0 | 0 | 113.5 | Q45 C46 G47 E51 V52 M53 P86 F88 A103 A105 L108 | Q45-M49 VanDerWaalsContact O-CG 3.31Å; Q45-M49 WeakPolarHBondContact O-CG 3.34Å; Q45-M49 PolarHBondContact O-N 2.89Å; C46-M49 PolarHBondContact O-N 3.37Å; G47-M49 VanDerWaalsContact C-N 3.34Å; G47-M49 PolarHBondContact O-N 2.92Å; M49-E51 VanDerWaalsContact C-N 3.31Å; M49-V52 PolarHBondContact O-N 2.9Å; M49-V52 HydrophobicContact SD-CG2 4.38Å; M49-M53 WeakPolarHBondContact O-CB 3.37Å; M49-M53 VanDerWaalsContact O-CG 3.24Å; M49-M53 WeakPolarHBondContact O-CG 3.18Å; M49-M53 PolarHBondContact O-N 3.37Å; M49-P86 HydrophobicContact CG-CG 4.19Å; M49-F88 HydrophobicContact CB-CE1 4.35Å; M49-F88 HydrophobicContact CB-CZ 3.68Å; M49-F88 HydrophobicContact CE-CE1 4.02Å; M49-F88 HydrophobicContact CE-CE2 3.68Å; M49-F88 HydrophobicContact CE-CZ 3.33Å; M49-F88 HydrophobicContact CG-CE2 4.43Å; M49-F88 HydrophobicContact CG-CZ 3.85Å; M49-F88 HydrophobicContact SD-CZ 4.46Å; M49-A103 HydrophobicContact CG-CB 3.91Å; M49-A103 HydrophobicContact SD-CB 4.18Å; M49-A105 HydrophobicContact SD-CB 4.12Å; M49-L108 HydrophobicContact CE-CB 4.14Å; M49-L108 HydrophobicContact CE-CD2 3.36Å; M49-L108 HydrophobicContact CE-CG 4.38Å |
| 50 | N | 92.1 | Very high | 87.4 | Confident | 35 Ų | 35 | 60 Ų | 60 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64 | -37.3 | 170.8 | -70.9 | -31.5 | 0 | 0 | 0 | 111.7 | H37 C46 G47 Q48 M53 A54 K67 | H37-N50 PolarHBondContact CE1-OD1 3.27Å; H37-N50 PolarHBondContact ND1-OD1 3.42Å; C46-N50 PolarHBondContact O-N 3.23Å; C46-N50 PolarHBondContact O-ND2 3.25Å; G47-N50 WeakPolarHBondContact O-CB 3.42Å; G47-N50 PolarHBondContact O-N 3.27Å; Q48-N50 VanDerWaalsContact C-N 3.29Å; Q48-N50 PolarHBondContact O-N 3.13Å; N50-M53 PolarHBondContact O-N 2.85Å; N50-A54 WeakPolarHBondContact O-CB 3.36Å; N50-A54 PolarHBondContact O-N 2.9Å; N50-K67 VanDerWaalsContact OD1-CE 3.28Å; N50-K67 WeakPolarHBondContact OD1-CE 3.41Å |
| 51 | E | 87.4 | Confident | 87.1 | Confident | 148 Ų | 148 | 65.2 Ų | 65.2 | 69% | 0.692 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 174.5 | -63 | 177.7 | -176.7 | 0 | 0 | 111.2 | G47 Q48 M49 A54 E55 | G47-E51 PolarHBondContact O-N 3.42Å; Q48-E51 WeakPolarHBondContact O-CB 3.24Å; Q48-E51 PolarHBondContact O-N 3.13Å; Q48-E51 VanDerWaalsContact O-N 3.16Å; M49-E51 VanDerWaalsContact C-N 3.31Å; E51-A54 WeakPolarHBondContact O-CB 3.36Å; E51-A54 PolarHBondContact O-N 3.47Å; E51-E55 PolarHBondContact O-N 3.44Å |
| 52 | V | 88.4 | Confident | 86.8 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 111 | Q48 M49 A54 E55 L56 A105 L108 | Q48-V52 PolarHBondContact O-N 2.88Å; M49-V52 PolarHBondContact O-N 2.9Å; M49-V52 HydrophobicContact SD-CG2 4.38Å; V52-A54 VanDerWaalsContact C-N 3.29Å; V52-A54 PolarHBondContact O-N 3.37Å; V52-E55 PolarHBondContact O-N 2.84Å; V52-L56 HydrophobicContact CG1-CD1 3.97Å; V52-L56 HydrophobicContact CG1-CG 4.43Å; V52-L56 WeakPolarHBondContact O-CG 3.41Å; V52-L56 PolarHBondContact O-N 3.44Å; V52-A105 HydrophobicContact CG1-CB 4.16Å; V52-A105 HydrophobicContact CG2-CB 3.77Å; V52-L108 HydrophobicContact CG1-CD2 4.1Å |
| 53 | M | 93.3 | Very high | 87 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 175.2 | -73.5 | -79.3 | -73.1 | 0 | 0 | 111.8 | M13 V35 H37 M49 N50 A57 F65 F88 L108 | M13-M53 HydrophobicContact CE-CB 4.12Å; V35-M53 HydrophobicContact CB-CE 4.34Å; V35-M53 HydrophobicContact CG1-CE 4.07Å; V35-M53 HydrophobicContact CG1-SD 3.88Å; H37-M53 HydrophobicContact CB-CE 3.81Å; H37-M53 HydrophobicContact CB-CG 4.41Å; H37-M53 HydrophobicContact CB-SD 4.38Å; M49-M53 WeakPolarHBondContact O-CB 3.37Å; M49-M53 VanDerWaalsContact O-CG 3.24Å; M49-M53 WeakPolarHBondContact O-CG 3.18Å; M49-M53 PolarHBondContact O-N 3.37Å; N50-M53 PolarHBondContact O-N 2.85Å; M53-A57 WeakPolarHBondContact O-CB 3.27Å; M53-A57 PolarHBondContact O-N 3.04Å; M53-F65 HydrophobicContact CE-CB 3.85Å; M53-F65 HydrophobicContact CE-CD1 3.6Å; M53-F65 HydrophobicContact CE-CG 4.22Å; M53-F65 HydrophobicContact SD-CD1 3.68Å; M53-F65 HydrophobicContact SD-CE1 4.26Å; M53-F88 HydrophobicContact CG-CE1 4.09Å; M53-F88 HydrophobicContact SD-CD1 4.07Å; M53-F88 HydrophobicContact SD-CE1 4.05Å; M53-L108 HydrophobicContact CG-CD2 4.28Å; M53-L108 HydrophobicContact SD-CD2 4.02Å |
| 54 | A | 90.3 | Very high | 87.4 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M13 N50 E51 V52 K58 | M13-A54 HydrophobicContact CE-CB 4.25Å; M13-A54 VanDerWaalsContact SD-CA 3.59Å; M13-A54 HydrophobicContact SD-CB 3.85Å; N50-A54 WeakPolarHBondContact O-CB 3.36Å; N50-A54 PolarHBondContact O-N 2.9Å; E51-A54 WeakPolarHBondContact O-CB 3.36Å; E51-A54 PolarHBondContact O-N 3.47Å; V52-A54 VanDerWaalsContact C-N 3.29Å; V52-A54 PolarHBondContact O-N 3.37Å; A54-K58 WeakPolarHBondContact O-CG 3.27Å; A54-K58 PolarHBondContact O-N 3.29Å |
| 55 | E | 84.1 | Confident | 88 | Confident | 89 Ų | 89 | 51.7 Ų | 51.7 | 42% | 0.416 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 175.4 | -160.7 | 58.7 | -152 | 0 | 0 | 111.5 | E51 V52 A57 K58 E59 | E51-E55 PolarHBondContact O-N 3.44Å; V52-E55 PolarHBondContact O-N 2.84Å; E55-A57 PolarHBondContact O-N 3.43Å; E55-K58 WeakPolarHBondContact O-CB 3.22Å; E55-K58 PolarHBondContact O-N 3Å; E55-K58 IonicContact OE2-NZ 2.72Å; E55-K58 PolarHBondContact OE2-NZ 2.84Å; E55-E59 PolarHBondContact O-N 3.3Å; E55-E59 VanDerWaalsContact O-N 3.12Å |
| 56 | L | 87.3 | Confident | 88.9 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.3 | -34.7 | 175 | -70.8 | 173.2 | 0 | 0 | 0 | 112.3 | V52 K58 E59 H60 F65 L108 T109 V112 | V52-L56 HydrophobicContact CG1-CD1 3.97Å; V52-L56 HydrophobicContact CG1-CG 4.43Å; V52-L56 WeakPolarHBondContact O-CG 3.41Å; V52-L56 PolarHBondContact O-N 3.44Å; L56-K58 VanDerWaalsContact C-N 3.31Å; L56-K58 PolarHBondContact O-N 3.48Å; L56-E59 PolarHBondContact O-N 3.1Å; L56-H60 VanDerWaalsContact O-CB 3.32Å; L56-H60 WeakPolarHBondContact O-CB 3.35Å; L56-H60 PolarHBondContact O-CD2 3.46Å; L56-H60 PolarHBondContact O-N 3.39Å; L56-F65 HydrophobicContact CB-CE1 3.7Å; L56-F65 HydrophobicContact CB-CZ 3.66Å; L56-F65 HydrophobicContact CD1-CE1 4.48Å; L56-L108 HydrophobicContact CD1-CD2 4.12Å; L56-L108 HydrophobicContact CD1-CG 3.9Å; L56-T109 HydrophobicContact CD2-CG2 3.92Å; L56-V112 HydrophobicContact CD1-CG2 4.21Å |
| 57 | A | 91.7 | Very high | 89.2 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N12 M13 M53 E55 F65 | N12-A57 PolarHBondContact ND2-O 3.43Å; N12-A57 PolarHBondContact OD1-O 3.48Å; M13-A57 HydrophobicContact CB-CB 3.98Å; M13-A57 HydrophobicContact SD-CB 4.49Å; M53-A57 WeakPolarHBondContact O-CB 3.27Å; M53-A57 PolarHBondContact O-N 3.04Å; E55-A57 PolarHBondContact O-N 3.43Å; A57-F65 VanDerWaalsContact CA-CE2 3.45Å; A57-F65 HydrophobicContact CB-CD2 3.64Å; A57-F65 HydrophobicContact CB-CE2 4.05Å; A57-F65 HydrophobicContact CB-CG 4.15Å |
| 58 | K | 86.6 | Confident | 89.8 | Confident | 140 Ų | 140 | 47.1 Ų | 47.1 | 61% | 0.609 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -68.4 | -41.3 | 175.4 | -62.3 | 170 | -162.3 | 160.5 | 0 | 111.8 | A54 E55 L56 | A54-K58 WeakPolarHBondContact O-CG 3.27Å; A54-K58 PolarHBondContact O-N 3.29Å; E55-K58 WeakPolarHBondContact O-CB 3.22Å; E55-K58 PolarHBondContact O-N 3Å; E55-K58 IonicContact OE2-NZ 2.72Å; E55-K58 PolarHBondContact OE2-NZ 2.84Å; L56-K58 VanDerWaalsContact C-N 3.31Å; L56-K58 PolarHBondContact O-N 3.48Å |
| 59 | E | 83 | Confident | 90.5 | Very high | 117 Ų | 117 | 44 Ų | 44 | 55% | 0.547 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75.5 | -33.7 | -177.5 | -66 | -174.1 | 167.2 | 0 | 0 | 113 | E55 L56 | E55-E59 PolarHBondContact O-N 3.3Å; E55-E59 VanDerWaalsContact O-N 3.12Å; L56-E59 PolarHBondContact O-N 3.1Å |
| 60 | H | 84.8 | Confident | 90.5 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | trans | -115.8 | 70 | -174.1 | -63.1 | -80.8 | 0 | 0 | 0 | 111.9 | N12 L56 G62 T63 F65 V112 | N12-H60 PolarHBondContact ND2-O 3.36Å; N12-H60 VanDerWaalsContact ND2-O 3.17Å; L56-H60 VanDerWaalsContact O-CB 3.32Å; L56-H60 WeakPolarHBondContact O-CB 3.35Å; L56-H60 PolarHBondContact O-CD2 3.46Å; L56-H60 PolarHBondContact O-N 3.39Å; H60-G62 PolarHBondContact O-N 3.05Å; H60-G62 VanDerWaalsContact O-N 3.11Å; H60-T63 WeakPolarHBondContact O-CB 3.45Å; H60-T63 PolarHBondContact O-N 2.92Å; H60-F65 HydrophobicContact CB-CE2 4.25Å; H60-F65 HydrophobicContact CB-CZ 4.27Å; H60-V112 HydrophobicContact CB-CG1 4.32Å | ||
| 61 | T | 86.5 | Confident | 90.5 | Very high | 113 Ų | 113 | 49 Ų | 49 | 69% | 0.693 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.2 | -179.1 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 62 | G | 85.3 | Confident | 90.7 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 51% | 0.505 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 0.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | C32 H60 | C32-G62 WeakPolarHBondContact CB-O 3.35Å; C32-G62 PolarHBondContact SG-O 2.88Å; H60-G62 PolarHBondContact O-N 3.05Å; H60-G62 VanDerWaalsContact O-N 3.11Å |
| 63 | T | 90.7 | Very high | 90.9 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -112 | 137.8 | 178 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | N12 L33 V35 H60 F65 | N12-T63 WeakPolarHBondContact CB-O 3.24Å; N12-T63 PolarHBondContact ND2-O 2.78Å; N12-T63 VanDerWaalsContact ND2-O 3.13Å; L33-T63 HydrophobicContact CB-CG2 4Å; L33-T63 HydrophobicContact CD2-CG2 3.85Å; L33-T63 HydrophobicContact CG-CG2 3.89Å; L33-T63 CarbonylContact O-C 3.56Å; L33-T63 WeakPolarHBondContact O-CA 3.3Å; L33-T63 WeakPolarHBondContact O-CG2 3.33Å; V35-T63 HydrophobicContact CG2-CG2 3.8Å; H60-T63 WeakPolarHBondContact O-CB 3.45Å; H60-T63 PolarHBondContact O-N 2.92Å; T63-F65 HydrophobicContact CG2-CD2 4.08Å; T63-F65 HydrophobicContact CG2-CE1 4.19Å; T63-F65 HydrophobicContact CG2-CE2 3.5Å; T63-F65 VanDerWaalsContact CG2-CE2 3.5Å; T63-F65 HydrophobicContact CG2-CZ 3.58Å |
| 64 | M | 94.4 | Very high | 90.8 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.7 | 173.3 | -172.8 | 162.2 | -177.7 | 0 | 0 | 110.2 | N12 V14 F25 A29 L33 T34 V35 V66 | N12-M64 CarbonylContact O-C 3.59Å; V14-M64 HydrophobicContact CG1-CE 4.25Å; V14-M64 HydrophobicContact CG2-CE 3.47Å; V14-M64 VanDerWaalsContact CG2-CE 3.47Å; F25-M64 HydrophobicContact CB-CE 3.59Å; F25-M64 HydrophobicContact CD1-CE 3.51Å; F25-M64 HydrophobicContact CE1-CE 4.37Å; F25-M64 HydrophobicContact CG-CE 3.66Å; A29-M64 HydrophobicContact CB-CB 4.19Å; A29-M64 HydrophobicContact CB-SD 3.85Å; L33-M64 PolarHBondContact O-N 3.08Å; T34-M64 CarbonylContact C-O 3.53Å; T34-M64 WeakPolarHBondContact CA-O 3.41Å; T34-M64 HydrophobicContact CG2-CB 4.16Å; T34-M64 HydrophobicContact CG2-CG 4.27Å; V35-M64 PolarHBondContact N-O 3.47Å; M64-V66 HydrophobicContact CE-CG2 4.38Å; M64-V66 HydrophobicContact CG-CG2 4.3Å |
| 65 | F | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.7 | 179.8 | -66.3 | -92.6 | 0 | 0 | 0 | 108.7 | N12 M13 V14 V35 M53 L56 A57 H60 T63 V112 | N12-F65 PolarHBondContact O-N 3.06Å; M13-F65 CarbonylContact C-O 3.54Å; M13-F65 VanDerWaalsContact CA-O 3.28Å; M13-F65 WeakPolarHBondContact CA-O 3.45Å; M13-F65 HydrophobicContact CB-CB 4.31Å; M13-F65 HydrophobicContact CG-CB 4.18Å; V14-F65 PolarHBondContact N-O 3.27Å; V35-F65 HydrophobicContact CB-CD1 3.86Å; V35-F65 HydrophobicContact CB-CE1 4.12Å; V35-F65 HydrophobicContact CG1-CD1 4.41Å; V35-F65 HydrophobicContact CG2-CD1 4.15Å; V35-F65 HydrophobicContact CG2-CE1 3.93Å; V35-F65 CarbonylContact O-C 3.57Å; V35-F65 WeakPolarHBondContact O-CA 3.33Å; M53-F65 HydrophobicContact CE-CB 3.85Å; M53-F65 HydrophobicContact CE-CD1 3.6Å; M53-F65 HydrophobicContact CE-CG 4.22Å; M53-F65 HydrophobicContact SD-CD1 3.68Å; M53-F65 HydrophobicContact SD-CE1 4.26Å; L56-F65 HydrophobicContact CB-CE1 3.7Å; L56-F65 HydrophobicContact CB-CZ 3.66Å; L56-F65 HydrophobicContact CD1-CE1 4.48Å; A57-F65 VanDerWaalsContact CA-CE2 3.45Å; A57-F65 HydrophobicContact CB-CD2 3.64Å; A57-F65 HydrophobicContact CB-CE2 4.05Å; A57-F65 HydrophobicContact CB-CG 4.15Å; H60-F65 HydrophobicContact CB-CE2 4.25Å; H60-F65 HydrophobicContact CB-CZ 4.27Å; T63-F65 HydrophobicContact CG2-CD2 4.08Å; T63-F65 HydrophobicContact CG2-CE1 4.19Å; T63-F65 HydrophobicContact CG2-CE2 3.5Å; T63-F65 VanDerWaalsContact CG2-CE2 3.5Å; T63-F65 HydrophobicContact CG2-CZ 3.58Å; F65-V112 HydrophobicContact CE1-CG1 4.4Å; F65-V112 HydrophobicContact CE1-CG2 4.19Å; F65-V112 HydrophobicContact CZ-CG1 3.96Å |
| 66 | V | 96.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.5 | -176.6 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | V14 A16 F25 T34 V35 V36 H37 M64 | V14-V66 HydrophobicContact CG2-CB 4.39Å; V14-V66 HydrophobicContact CG2-CG1 4.38Å; V14-V66 HydrophobicContact CG2-CG2 3.86Å; V14-V66 CarbonylContact O-C 3.58Å; V14-V66 WeakPolarHBondContact O-CA 3.2Å; A16-V66 HydrophobicContact CB-CG1 3.78Å; F25-V66 HydrophobicContact CB-CG2 4.17Å; F25-V66 HydrophobicContact CD2-CG1 4.04Å; F25-V66 HydrophobicContact CD2-CG2 4.44Å; T34-V66 HydrophobicContact CG2-CG2 3.75Å; V35-V66 PolarHBondContact O-N 2.86Å; V36-V66 CarbonylContact C-O 3.45Å; V36-V66 VanDerWaalsContact CA-O 3.31Å; V36-V66 WeakPolarHBondContact CA-O 3.46Å; V36-V66 HydrophobicContact CB-CB 4.49Å; V36-V66 HydrophobicContact CG1-CB 4.3Å; V36-V66 HydrophobicContact CG1-CG1 4.36Å; V36-V66 HydrophobicContact CG2-CB 4.15Å; V36-V66 HydrophobicContact CG2-CG2 4.5Å; H37-V66 PolarHBondContact N-O 3.38Å; M64-V66 HydrophobicContact CE-CG2 4.38Å; M64-V66 HydrophobicContact CG-CG2 4.3Å |
| 67 | K | 96.9 | Very high | 91.7 | Very high | 34 Ų | 34 | 46.4 Ų | 46.4 | 15% | 0.148 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 140 | 165 | -74.6 | 177 | 62 | -130.4 | 0 | 109.4 | M13 V14 E15 A16 N50 | M13-K67 HydrophobicContact CE-CD 3.64Å; M13-K67 HydrophobicContact CE-CG 4.07Å; V14-K67 PolarHBondContact O-N 3.24Å; E15-K67 CarbonylContact C-O 3.59Å; E15-K67 WeakPolarHBondContact CA-O 3.41Å; E15-K67 HydrophobicContact CB-CB 4.43Å; E15-K67 HydrophobicContact CG-CB 4.17Å; E15-K67 IonicContact OE2-NZ 2.73Å; E15-K67 PolarHBondContact OE2-NZ 3.42Å; A16-K67 PolarHBondContact N-O 3.25Å; N50-K67 VanDerWaalsContact OD1-CE 3.28Å; N50-K67 WeakPolarHBondContact OD1-CE 3.41Å |
| 68 | L | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 118.3 | -178.8 | -174 | 76.8 | 0 | 0 | 0 | 108.2 | A16 F22 V36 H37 F38 H39 A70 V73 V76 | A16-L68 HydrophobicContact CB-CD1 3.43Å; A16-L68 VanDerWaalsContact CB-CD1 3.43Å; A16-L68 WeakPolarHBondContact O-CD1 3.45Å; F22-L68 HydrophobicContact CB-CD1 4.41Å; F22-L68 HydrophobicContact CD2-CD2 4.03Å; F22-L68 HydrophobicContact CE2-CD2 4.49Å; V36-L68 HydrophobicContact CG1-CB 4.09Å; V36-L68 HydrophobicContact CG1-CD2 4.11Å; H37-L68 PolarHBondContact O-N 3.09Å; F38-L68 CarbonylContact C-O 3.59Å; F38-L68 VanDerWaalsContact CA-O 3.26Å; F38-L68 WeakPolarHBondContact CA-O 3.22Å; F38-L68 HydrophobicContact CD1-CD2 3.73Å; F38-L68 HydrophobicContact CD1-CG 4.49Å; F38-L68 HydrophobicContact CE1-CD2 3.26Å; F38-L68 HydrophobicContact CE1-CG 4.41Å; F38-L68 HydrophobicContact CE2-CD2 4.15Å; F38-L68 HydrophobicContact CG-CD2 4.39Å; F38-L68 HydrophobicContact CZ-CD2 3.5Å; F38-L68 VanDerWaalsContact CZ-CD2 3.5Å; H39-L68 PolarHBondContact CD2-O 2.92Å; H39-L68 PolarHBondContact N-O 3Å; L68-A70 PolarHBondContact O-N 3.44Å; L68-V73 HydrophobicContact CD1-CB 4.35Å; L68-V73 HydrophobicContact CD1-CG1 4.09Å; L68-V73 HydrophobicContact CD1-CG2 3.52Å; L68-V73 HydrophobicContact CD2-CG2 3.81Å; L68-V73 HydrophobicContact CG-CG2 3.47Å; L68-V73 VanDerWaalsContact CG-CG2 3.47Å; L68-V76 HydrophobicContact CD2-CB 4.49Å; L68-V76 HydrophobicContact CD2-CG1 3.93Å |
| 69 | E | 96.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 116.1 | 175.9 | -177.8 | 154.6 | -134.5 | 0 | 0 | 109.7 | H39 A41 E71 A72 V73 | H39-E69 CarbonylContact O-C 3.58Å; H39-E69 VanDerWaalsContact O-CA 3.32Å; H39-E69 WeakPolarHBondContact O-CA 3.21Å; A41-E69 PolarHBondContact N-OE1 3.18Å; E69-E71 PolarHBondContact O-N 3.15Å; E69-A72 HydrophobicContact CB-CB 3.94Å; E69-A72 HydrophobicContact CG-CB 4.18Å; E69-A72 PolarHBondContact O-N 3.42Å; E69-V73 VanDerWaalsContact O-CG2 3.3Å; E69-V73 WeakPolarHBondContact O-CG2 3.41Å; E69-V73 PolarHBondContact O-N 3.3Å |
| 70 | A | 93 | Very high | 92.2 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 11% | 0.107 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -34.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F38 H39 L68 S77 I82 V85 | F38-A70 HydrophobicContact CB-CB 4.36Å; F38-A70 HydrophobicContact CD1-CB 4.36Å; H39-A70 PolarHBondContact O-N 2.61Å; L68-A70 PolarHBondContact O-N 3.44Å; A70-S77 WeakPolarHBondContact CA-OG 3.28Å; A70-S77 PolarHBondContact O-OG 3.34Å; A70-I82 HydrophobicContact CB-CG2 4.4Å; A70-V85 HydrophobicContact CB-CG1 3.76Å |
| 71 | E | 91.4 | Very high | 92.6 | Very high | 131 Ų | 131 | 55.1 Ų | 55.1 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -22.6 | 178.6 | -66.5 | 179.2 | -167.2 | 0 | 0 | 113.1 | W42 E69 V73 | W42-E71 PolarHBondContact NE1-OE1 2.68Å; E69-E71 PolarHBondContact O-N 3.15Å; E71-V73 VanDerWaalsContact C-N 3.32Å |
| 72 | A | 91.3 | Very high | 92.8 | Very high | 57 Ų | 57 | 51 Ų | 51 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -14.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E69 | E69-A72 HydrophobicContact CB-CB 3.94Å; E69-A72 HydrophobicContact CG-CB 4.18Å; E69-A72 PolarHBondContact O-N 3.42Å |
| 73 | V | 92.4 | Very high | 93 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | trans | -137.4 | 61.8 | -178.5 | -71.1 | 0 | 0 | 0 | 0 | 111.8 | L68 E69 E71 E75 V76 S77 | L68-V73 HydrophobicContact CD1-CB 4.35Å; L68-V73 HydrophobicContact CD1-CG1 4.09Å; L68-V73 HydrophobicContact CD1-CG2 3.52Å; L68-V73 HydrophobicContact CD2-CG2 3.81Å; L68-V73 HydrophobicContact CG-CG2 3.47Å; L68-V73 VanDerWaalsContact CG-CG2 3.47Å; E69-V73 VanDerWaalsContact O-CG2 3.3Å; E69-V73 WeakPolarHBondContact O-CG2 3.41Å; E69-V73 PolarHBondContact O-N 3.3Å; E71-V73 VanDerWaalsContact C-N 3.32Å; V73-E75 PolarHBondContact O-N 3.49Å; V73-E75 VanDerWaalsContact O-N 3.12Å; V73-V76 HydrophobicContact CB-CB 4.29Å; V73-V76 HydrophobicContact CB-CG2 4.19Å; V73-V76 HydrophobicContact CG2-CB 4.28Å; V73-V76 PolarHBondContact O-N 3.3Å; V73-S77 PolarHBondContact O-N 3.27Å; V73-S77 VanDerWaalsContact O-N 3.11Å; V73-S77 PolarHBondContact O-OG 3.08Å | ||
| 74 | P | 91.8 | Very high | 93 | Very high | 71 Ų | 71 | 56.4 Ų | 56.4 | 46% | 0.461 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -57.5 | -31.6 | -172.8 | 24.3 | -34.1 | 0 | 0 | 0 | 113.2 | V76 S77 E78 | P74-V76 VanDerWaalsContact C-N 3.34Å; P74-V76 PolarHBondContact O-N 2.79Å; P74-S77 PolarHBondContact O-N 3.15Å; P74-E78 VanDerWaalsContact O-CB 3.31Å; P74-E78 WeakPolarHBondContact O-CB 3.28Å; P74-E78 PolarHBondContact O-N 3.3Å |
| 75 | E | 92.6 | Very high | 92.9 | Very high | 108 Ų | 108 | 56.8 Ų | 56.8 | 51% | 0.505 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -36.9 | 179.5 | -51.9 | 81.8 | -179.5 | 0 | 0 | 112 | V73 K79 | V73-E75 PolarHBondContact O-N 3.49Å; V73-E75 VanDerWaalsContact O-N 3.12Å; E75-K79 VanDerWaalsContact O-CB 3.24Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 3.31Å; E75-K79 VanDerWaalsContact O-N 3.08Å |
| 76 | V | 94.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -74.1 | -42.8 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | Q19 F22 F38 L68 V73 P74 E78 K79 Y80 | Q19-V76 HydrophobicContact CB-CG2 3.8Å; Q19-V76 HydrophobicContact CG-CG2 3.86Å; F22-V76 HydrophobicContact CD1-CG1 3.99Å; F22-V76 HydrophobicContact CD1-CG2 4.35Å; F22-V76 HydrophobicContact CD2-CG1 4.21Å; F22-V76 HydrophobicContact CE1-CG1 3.98Å; F22-V76 HydrophobicContact CE2-CG1 4.17Å; F22-V76 HydrophobicContact CG-CG1 4.11Å; F22-V76 HydrophobicContact CZ-CG1 4.06Å; F38-V76 HydrophobicContact CE1-CG1 3.96Å; F38-V76 HydrophobicContact CZ-CG1 3.9Å; L68-V76 HydrophobicContact CD2-CB 4.49Å; L68-V76 HydrophobicContact CD2-CG1 3.93Å; V73-V76 HydrophobicContact CB-CB 4.29Å; V73-V76 HydrophobicContact CB-CG2 4.19Å; V73-V76 HydrophobicContact CG2-CB 4.28Å; V73-V76 PolarHBondContact O-N 3.3Å; P74-V76 VanDerWaalsContact C-N 3.34Å; P74-V76 PolarHBondContact O-N 2.79Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 3.4Å; V76-K79 PolarHBondContact O-N 3.43Å; V76-Y80 HydrophobicContact CG1-CD2 3.83Å; V76-Y80 HydrophobicContact CG1-CE2 3.99Å; V76-Y80 VanDerWaalsContact O-CD2 3.3Å; V76-Y80 WeakPolarHBondContact O-CD2 3.16Å; V76-Y80 PolarHBondContact O-N 3.2Å; V76-Y80 VanDerWaalsContact O-N 3.13Å |
| 77 | S | 93.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 57 Ų | 57 | 8% | 0.077 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.3 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | A70 V73 P74 E81 I82 | A70-S77 WeakPolarHBondContact CA-OG 3.28Å; A70-S77 PolarHBondContact O-OG 3.34Å; V73-S77 PolarHBondContact O-N 3.27Å; V73-S77 VanDerWaalsContact O-N 3.11Å; V73-S77 PolarHBondContact O-OG 3.08Å; P74-S77 PolarHBondContact O-N 3.15Å; S77-E81 PolarHBondContact O-N 3.33Å; S77-E81 VanDerWaalsContact O-N 3.08Å; S77-I82 WeakPolarHBondContact O-CG1 3.2Å; S77-I82 PolarHBondContact O-N 2.9Å |
| 78 | E | 90.1 | Very high | 92.8 | Very high | 161 Ų | 161 | 55.3 Ų | 55.3 | 75% | 0.752 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66 | -48 | 175.8 | -174.4 | 175.7 | -169.2 | 0 | 0 | 111.3 | P74 V76 Y80 E81 | P74-E78 VanDerWaalsContact O-CB 3.31Å; P74-E78 WeakPolarHBondContact O-CB 3.28Å; P74-E78 PolarHBondContact O-N 3.3Å; V76-E78 VanDerWaalsContact C-N 3.35Å; V76-E78 PolarHBondContact O-N 3.4Å; E78-Y80 PolarHBondContact O-N 3Å; E78-Y80 VanDerWaalsContact O-N 3.11Å; E78-E81 PolarHBondContact O-N 2.91Å |
| 79 | K | 91.1 | Very high | 92.9 | Very high | 130 Ų | 130 | 55.3 Ų | 55.3 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -54.7 | -33.8 | 178.7 | 176.9 | 176.8 | 178.2 | 176.9 | 0 | 113.3 | E75 V76 | E75-K79 VanDerWaalsContact O-CB 3.24Å; E75-K79 WeakPolarHBondContact O-CB 3.44Å; E75-K79 PolarHBondContact O-N 3.31Å; E75-K79 VanDerWaalsContact O-N 3.08Å; V76-K79 PolarHBondContact O-N 3.43Å |
| 80 | Y | 90.9 | Very high | 92.9 | Very high | 31 Ų | 31 | 52.5 Ų | 52.5 | 12% | 0.122 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 13.5 | -179.7 | -66.2 | -71.8 | 0 | 0 | 0 | 114 | F22 F38 V76 E78 I82 L89 F91 K96 R99 | F22-Y80 AromaticContact CE1-CE2 3.64Å; F22-Y80 HydrophobicContact CE1-CE2 3.64Å; F22-Y80 HydrophobicContact CZ-CD2 4.32Å; F22-Y80 AromaticContact CZ-CE2 3.46Å; F22-Y80 HydrophobicContact CZ-CE2 3.46Å; F22-Y80 VanDerWaalsContact CZ-CE2 3.46Å; F22-Y80 AromaticContact CZ-CZ 3.97Å; F38-Y80 HydrophobicContact CZ-CD2 4.35Å; V76-Y80 HydrophobicContact CG1-CD2 3.83Å; V76-Y80 HydrophobicContact CG1-CE2 3.99Å; V76-Y80 VanDerWaalsContact O-CD2 3.3Å; V76-Y80 WeakPolarHBondContact O-CD2 3.16Å; V76-Y80 PolarHBondContact O-N 3.2Å; V76-Y80 VanDerWaalsContact O-N 3.13Å; E78-Y80 PolarHBondContact O-N 3Å; E78-Y80 VanDerWaalsContact O-N 3.11Å; Y80-I82 PolarHBondContact O-N 2.91Å; Y80-L89 HydrophobicContact CD1-CD1 3.78Å; Y80-L89 HydrophobicContact CD2-CD1 4.08Å; Y80-L89 HydrophobicContact CG-CD1 3.53Å; Y80-F91 HydrophobicContact CD1-CZ 4.39Å; Y80-F91 AromaticContact CE1-CE1 3.83Å; Y80-F91 HydrophobicContact CE1-CE1 3.83Å; Y80-F91 AromaticContact CE1-CZ 3.76Å; Y80-F91 HydrophobicContact CE1-CZ 3.76Å; Y80-F91 HydrophobicContact CE2-CZ 4.23Å; Y80-F91 AromaticContact CZ-CE1 3.77Å; Y80-F91 AromaticContact CZ-CZ 3.66Å; Y80-F91 WeakPolarHBondContact OH-CE1 3.27Å; Y80-K96 HydrophobicContact CD1-CD 4.31Å; Y80-R99 PolarHBondContact O-NH1 3.29Å |
| 81 | E | 92.2 | Very high | 92.9 | Very high | 157 Ų | 157 | 51.9 Ų | 51.9 | 73% | 0.734 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 51.4 | 175.9 | -57.8 | 173.9 | 175.4 | 0 | 0 | 112.1 | S77 E78 S83 R99 | S77-E81 PolarHBondContact O-N 3.33Å; S77-E81 VanDerWaalsContact O-N 3.08Å; E78-E81 PolarHBondContact O-N 2.91Å; E81-S83 PolarHBondContact O-N 2.97Å; E81-R99 PolarHBondContact O-NH1 3.32Å; E81-R99 PolarHBondContact O-NH2 2.77Å |
| 82 | I | 92.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | trans | -84.5 | 99.8 | 177.6 | -53.1 | -61.9 | 0 | 0 | 0 | 108.5 | F38 A70 S77 Y80 T87 L89 | F38-I82 HydrophobicContact CB-CG2 4.05Å; F38-I82 HydrophobicContact CD1-CB 4.37Å; F38-I82 HydrophobicContact CD1-CD1 4.15Å; F38-I82 HydrophobicContact CD1-CG1 3.66Å; F38-I82 HydrophobicContact CD1-CG2 4.15Å; F38-I82 HydrophobicContact CD2-CD1 3.97Å; F38-I82 HydrophobicContact CD2-CG1 4.38Å; F38-I82 HydrophobicContact CE1-CD1 4.26Å; F38-I82 HydrophobicContact CE1-CG1 3.7Å; F38-I82 HydrophobicContact CE2-CD1 4.14Å; F38-I82 HydrophobicContact CE2-CG1 4.47Å; F38-I82 HydrophobicContact CG-CD1 3.98Å; F38-I82 HydrophobicContact CG-CG1 3.99Å; F38-I82 HydrophobicContact CG-CG2 4.24Å; F38-I82 HydrophobicContact CZ-CD1 4.27Å; F38-I82 HydrophobicContact CZ-CG1 4.14Å; A70-I82 HydrophobicContact CB-CG2 4.4Å; S77-I82 WeakPolarHBondContact O-CG1 3.2Å; S77-I82 PolarHBondContact O-N 2.9Å; Y80-I82 PolarHBondContact O-N 2.91Å; I82-T87 HydrophobicContact CD1-CG2 3.63Å; I82-L89 HydrophobicContact CD1-CD1 4.32Å; I82-L89 HydrophobicContact CD1-CG 4.46Å | ||
| 83 | S | 88.9 | Confident | 92.4 | Very high | 111 Ų | 111 | 48.8 Ų | 48.8 | 78% | 0.776 | 27% | 0.265 | S | S | * | . | trans | -99.8 | -13.2 | 179.7 | 58.1 | 0 | 0 | 0 | 0 | 113.8 | E81 | E81-S83 PolarHBondContact O-N 2.97Š| ||
| 84 | S | 89.9 | Confident | 91.9 | Very high | 56 Ų | 56 | 50.7 Ų | 50.7 | 39% | 0.392 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -149.1 | 156.1 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | T87 | S84-T87 PolarHBondContact O-OG1 3.48Š|
| 85 | V | 93.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 18% | 0.182 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -124.3 | 146 | 173.6 | -66.2 | 0 | 0 | 0 | 0 | 109.5 | A40 W42 A43 A70 | A40-V85 HydrophobicContact CB-CG2 3.82Å; W42-V85 HydrophobicContact CH2-CG2 3.79Å; W42-V85 HydrophobicContact CZ2-CG2 3.83Å; A43-V85 HydrophobicContact CB-CG2 4.25Å; A70-V85 HydrophobicContact CB-CG1 3.76Å |
| 86 | P | 95.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | S | Bend | cis | -75.5 | 143.3 | -1.7 | 30.7 | -33.6 | 0 | 0 | 0 | 112.5 | H37 F38 M49 F88 G102 A103 | H37-P86 WeakPolarHBondContact NE2-CB 3.48Å; F38-P86 WeakPolarHBondContact O-CA 3.37Å; M49-P86 HydrophobicContact CG-CG 4.19Å; P86-F88 HydrophobicContact CB-CE2 3.94Å; P86-F88 HydrophobicContact CB-CZ 4.02Å; P86-F88 HydrophobicContact CG-CE2 4.39Å; P86-G102 WeakPolarHBondContact O-CA 3.44Å; P86-G102 PolarHBondContact O-N 2.84Å; P86-A103 HydrophobicContact CG-CB 3.79Å |
| 87 | T | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.3 | 171.6 | -68.7 | 0 | 0 | 0 | 0 | 109.8 | F38 I82 S84 L89 L100 D101 | F38-T87 PolarHBondContact N-O 3.3Å; F38-T87 PolarHBondContact O-N 3.37Å; I82-T87 HydrophobicContact CD1-CG2 3.63Å; S84-T87 PolarHBondContact O-OG1 3.48Å; T87-L89 HydrophobicContact CG2-CD2 4.45Å; T87-L100 CarbonylContact C-O 3.6Å; T87-D101 PolarHBondContact OG1-OD1 3.49Å |
| 88 | F | 97.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129 | -179.4 | -51.3 | -96.9 | 0 | 0 | 0 | 110.3 | V36 H37 M49 M53 P86 F90 R99 L100 L108 | V36-F88 CarbonylContact O-C 3.52Å; V36-F88 VanDerWaalsContact O-CA 3.24Å; V36-F88 WeakPolarHBondContact O-CA 2.99Å; H37-F88 HydrophobicContact CB-CD1 3.79Å; H37-F88 HydrophobicContact CB-CE1 3.63Å; H37-F88 AromaticContact CD2-CD1 3.9Å; H37-F88 AromaticContact CD2-CE1 3.23Å; H37-F88 WeakPolarHBondContact CD2-CE1 3.02Å; H37-F88 AromaticContact CD2-CZ 3.3Å; H37-F88 WeakPolarHBondContact CD2-CZ 3.2Å; H37-F88 AromaticContact CG-CE1 3.38Å; H37-F88 AromaticContact CG-CZ 3.92Å; H37-F88 AromaticContact NE2-CE1 3.85Å; H37-F88 AromaticContact NE2-CZ 3.54Å; M49-F88 HydrophobicContact CB-CE1 4.35Å; M49-F88 HydrophobicContact CB-CZ 3.68Å; M49-F88 HydrophobicContact CE-CE1 4.02Å; M49-F88 HydrophobicContact CE-CE2 3.68Å; M49-F88 HydrophobicContact CE-CZ 3.33Å; M49-F88 HydrophobicContact CG-CE2 4.43Å; M49-F88 HydrophobicContact CG-CZ 3.85Å; M49-F88 HydrophobicContact SD-CZ 4.46Å; M53-F88 HydrophobicContact CG-CE1 4.09Å; M53-F88 HydrophobicContact SD-CD1 4.07Å; M53-F88 HydrophobicContact SD-CE1 4.05Å; P86-F88 HydrophobicContact CB-CE2 3.94Å; P86-F88 HydrophobicContact CB-CZ 4.02Å; P86-F88 HydrophobicContact CG-CE2 4.39Å; F88-F90 HydrophobicContact CB-CE2 4.15Å; F88-F90 HydrophobicContact CB-CZ 4.45Å; F88-R99 CarbonylContact O-C 3.6Å; F88-R99 WeakPolarHBondContact O-CA 3.44Å; F88-L100 HydrophobicContact CB-CB 4.21Å; F88-L100 HydrophobicContact CD2-CB 4.34Å; F88-L100 HydrophobicContact CD2-CD2 4.07Å; F88-L100 HydrophobicContact CD2-CG 4.16Å; F88-L100 PolarHBondContact N-O 3.44Å; F88-L100 PolarHBondContact O-N 3.14Å; F88-L108 HydrophobicContact CB-CD1 4.26Å; F88-L108 HydrophobicContact CD1-CD1 3.85Å; F88-L108 HydrophobicContact CD1-CD2 3.9Å; F88-L108 HydrophobicContact CE1-CD1 4.47Å; F88-L108 HydrophobicContact CE1-CD2 3.67Å; F88-L108 HydrophobicContact CG-CD1 3.99Å; F88-L108 HydrophobicContact CZ-CD2 4.15Å |
| 89 | L | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 140.5 | 171.4 | -59.6 | -174.3 | 0 | 0 | 0 | 109.8 | V35 V36 F38 Y80 I82 T87 F91 K96 R99 | V35-L89 CarbonylContact C-O 3.48Å; V35-L89 WeakPolarHBondContact CA-O 3.47Å; V36-L89 PolarHBondContact N-O 3.43Å; V36-L89 PolarHBondContact O-N 3.09Å; F38-L89 HydrophobicContact CD2-CD1 4.36Å; F38-L89 HydrophobicContact CD2-CG 4.23Å; F38-L89 HydrophobicContact CE2-CB 4.33Å; F38-L89 HydrophobicContact CE2-CD1 3.45Å; F38-L89 VanDerWaalsContact CE2-CD1 3.45Å; F38-L89 HydrophobicContact CE2-CG 3.72Å; F38-L89 HydrophobicContact CZ-CD1 3.91Å; Y80-L89 HydrophobicContact CD1-CD1 3.78Å; Y80-L89 HydrophobicContact CD2-CD1 4.08Å; Y80-L89 HydrophobicContact CG-CD1 3.53Å; I82-L89 HydrophobicContact CD1-CD1 4.32Å; I82-L89 HydrophobicContact CD1-CG 4.46Å; T87-L89 HydrophobicContact CG2-CD2 4.45Å; L89-F91 HydrophobicContact CB-CD2 4.27Å; L89-F91 HydrophobicContact CB-CE2 3.48Å; L89-F91 VanDerWaalsContact CB-CE2 3.48Å; L89-F91 HydrophobicContact CB-CZ 4.06Å; L89-F91 HydrophobicContact CD1-CE2 4.16Å; L89-F91 HydrophobicContact CD1-CZ 4.01Å; L89-K96 HydrophobicContact CD2-CD 4.26Å; L89-R99 HydrophobicContact CD2-CB 4.01Å; L89-R99 HydrophobicContact CD2-CG 3.79Å |
| 90 | F | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.2 | 179.7 | -57.9 | -103.6 | 0 | 0 | 0 | 108.6 | L33 T34 V35 F88 K96 V97 D98 L100 L108 K111 V112 L115 | L33-F90 HydrophobicContact CD1-CB 4.27Å; L33-F90 HydrophobicContact CD1-CD1 4.44Å; T34-F90 CarbonylContact O-C 3.57Å; T34-F90 WeakPolarHBondContact O-CA 3.47Å; V35-F90 HydrophobicContact CG1-CD1 4.28Å; V35-F90 HydrophobicContact CG1-CE1 4.03Å; V35-F90 HydrophobicContact CG1-CZ 4.48Å; V35-F90 HydrophobicContact CG2-CD1 3.94Å; V35-F90 HydrophobicContact CG2-CE1 4.12Å; F88-F90 HydrophobicContact CB-CE2 4.15Å; F88-F90 HydrophobicContact CB-CZ 4.45Å; F90-K96 CarbonylContact O-C 3.51Å; F90-K96 WeakPolarHBondContact O-CA 3.49Å; F90-V97 HydrophobicContact CB-CG2 3.93Å; F90-V97 WeakPolarHBondContact O-CG2 3.38Å; F90-V97 PolarHBondContact O-N 3.47Å; F90-D98 HydrophobicContact CB-CB 3.85Å; F90-D98 HydrophobicContact CD2-CB 3.72Å; F90-D98 HydrophobicContact CG-CB 3.95Å; F90-D98 PolarHBondContact N-O 3.01Å; F90-D98 PolarHBondContact O-N 2.69Å; F90-L100 HydrophobicContact CE2-CB 4.08Å; F90-L108 HydrophobicContact CE1-CD1 4.07Å; F90-L108 HydrophobicContact CZ-CD1 3.65Å; F90-K111 HydrophobicContact CE1-CB 3.7Å; F90-K111 HydrophobicContact CE2-CB 4.36Å; F90-K111 HydrophobicContact CE2-CD 3.85Å; F90-K111 HydrophobicContact CZ-CB 3.58Å; F90-K111 HydrophobicContact CZ-CD 3.8Å; F90-K111 HydrophobicContact CZ-CG 4.32Å; F90-V112 HydrophobicContact CE1-CG2 3.92Å; F90-L115 HydrophobicContact CB-CD1 3.87Å; F90-L115 HydrophobicContact CD1-CD1 3.68Å; F90-L115 HydrophobicContact CE1-CD1 4.41Å; F90-L115 HydrophobicContact CG-CD1 3.86Å |
| 91 | F | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.3 | -179.7 | -63.2 | -97.3 | 0 | 0 | 0 | 111.7 | F22 L26 L33 T34 V36 Y80 L89 E95 K96 | F22-F91 HydrophobicContact CE2-CE2 4.36Å; F22-F91 HydrophobicContact CE2-CZ 4.47Å; F22-F91 HydrophobicContact CZ-CE2 4.21Å; F22-F91 AromaticContact CZ-CZ 3.88Å; F22-F91 HydrophobicContact CZ-CZ 3.88Å; L26-F91 HydrophobicContact CD1-CD1 4.08Å; L26-F91 HydrophobicContact CD1-CE1 4.1Å; L26-F91 HydrophobicContact CD1-CG 4.4Å; L26-F91 HydrophobicContact CD1-CZ 4.44Å; L26-F91 HydrophobicContact CD2-CB 3.72Å; L26-F91 HydrophobicContact CD2-CD1 4.08Å; L26-F91 HydrophobicContact CD2-CD2 3.76Å; L26-F91 HydrophobicContact CD2-CE2 4.37Å; L26-F91 HydrophobicContact CD2-CG 3.59Å; L33-F91 CarbonylContact C-O 3.53Å; L33-F91 WeakPolarHBondContact CA-O 3.35Å; T34-F91 PolarHBondContact N-O 2.9Å; T34-F91 PolarHBondContact O-N 3.25Å; V36-F91 HydrophobicContact CB-CE2 4.32Å; V36-F91 HydrophobicContact CG2-CD2 3.8Å; V36-F91 HydrophobicContact CG2-CE2 3.73Å; Y80-F91 HydrophobicContact CD1-CZ 4.39Å; Y80-F91 AromaticContact CE1-CE1 3.83Å; Y80-F91 HydrophobicContact CE1-CE1 3.83Å; Y80-F91 AromaticContact CE1-CZ 3.76Å; Y80-F91 HydrophobicContact CE1-CZ 3.76Å; Y80-F91 HydrophobicContact CE2-CZ 4.23Å; Y80-F91 AromaticContact CZ-CE1 3.77Å; Y80-F91 AromaticContact CZ-CZ 3.66Å; Y80-F91 WeakPolarHBondContact OH-CE1 3.27Å; L89-F91 HydrophobicContact CB-CD2 4.27Å; L89-F91 HydrophobicContact CB-CE2 3.48Å; L89-F91 VanDerWaalsContact CB-CE2 3.48Å; L89-F91 HydrophobicContact CB-CZ 4.06Å; L89-F91 HydrophobicContact CD1-CE2 4.16Å; L89-F91 HydrophobicContact CD1-CZ 4.01Å; F91-E95 CarbonylContact C-O 3.58Å; F91-E95 WeakPolarHBondContact CA-O 3.42Å; F91-K96 HydrophobicContact CD1-CB 4.08Å; F91-K96 HydrophobicContact CE1-CB 3.78Å; F91-K96 HydrophobicContact CE1-CG 4.43Å; F91-K96 HydrophobicContact CZ-CB 4.36Å |
| 92 | K | 88.7 | Confident | 91.1 | Very high | 53 Ų | 53 | 42.7 Ų | 42.7 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 129.9 | 171.3 | -162.2 | 167.7 | -168.5 | 152.1 | 0 | 109 | G94 E95 V97 L115 S118 | K92-G94 PolarHBondContact O-N 2.83Å; K92-E95 PolarHBondContact N-O 3.38Å; K92-E95 PolarHBondContact O-N 3.38Å; K92-V97 HydrophobicContact CB-CG1 3.89Å; K92-V97 HydrophobicContact CB-CG2 4.35Å; K92-L115 PolarHBondContact NZ-O 3.06Å; K92-L115 VanDerWaalsContact NZ-O 3.14Å; K92-S118 WeakPolarHBondContact CE-OG 3.34Å; K92-S118 PolarHBondContact NZ-OG 2.81Å |
| 93 | A | 83.9 | Confident | 90.8 | Very high | 70 Ų | 70 | 43.3 Ų | 43.3 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 32.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G30 E95 | G30-A93 WeakPolarHBondContact O-CA 3.37Å; G30-A93 PolarHBondContact O-N 3.02Å; G30-A93 VanDerWaalsContact O-N 3.12Å; A93-E95 VanDerWaalsContact C-N 3.27Å; A93-E95 PolarHBondContact O-N 2.9Å |
| 94 | G | 80.6 | Confident | 90.6 | Very high | 41 Ų | 41 | 42 Ų | 42 | 42% | 0.423 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -6.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K92 | K92-G94 PolarHBondContact O-N 2.83Š|
| 95 | E | 86.1 | Confident | 90 | Very high | 143 Ų | 143 | 41.2 Ų | 41.2 | 67% | 0.668 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 140.1 | 179 | -64 | -171.3 | 155.6 | 0 | 0 | 111.5 | F91 K92 A93 V97 | F91-E95 CarbonylContact C-O 3.58Å; F91-E95 WeakPolarHBondContact CA-O 3.42Å; K92-E95 PolarHBondContact N-O 3.38Å; K92-E95 PolarHBondContact O-N 3.38Å; A93-E95 VanDerWaalsContact C-N 3.27Å; A93-E95 PolarHBondContact O-N 2.9Å; E95-V97 PolarHBondContact O-N 2.85Å |
| 96 | K | 91.7 | Very high | 89 | Confident | 110 Ų | 110 | 43.3 Ų | 43.3 | 48% | 0.478 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 118 | 173.1 | -175.6 | -171.8 | 68.7 | 174.8 | 0 | 109 | Y80 L89 F90 F91 | Y80-K96 HydrophobicContact CD1-CD 4.31Å; L89-K96 HydrophobicContact CD2-CD 4.26Å; F90-K96 CarbonylContact O-C 3.51Å; F90-K96 WeakPolarHBondContact O-CA 3.49Å; F91-K96 HydrophobicContact CD1-CB 4.08Å; F91-K96 HydrophobicContact CE1-CB 3.78Å; F91-K96 HydrophobicContact CE1-CG 4.43Å; F91-K96 HydrophobicContact CZ-CB 4.36Å |
| 97 | V | 90.2 | Very high | 87.9 | Confident | 68 Ų | 68 | 47.1 Ų | 47.1 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -20 | -177.6 | -63.8 | 0 | 0 | 0 | 0 | 114 | F90 K92 E95 L115 | F90-V97 HydrophobicContact CB-CG2 3.93Å; F90-V97 WeakPolarHBondContact O-CG2 3.38Å; F90-V97 PolarHBondContact O-N 3.47Å; K92-V97 HydrophobicContact CB-CG1 3.89Å; K92-V97 HydrophobicContact CB-CG2 4.35Å; E95-V97 PolarHBondContact O-N 2.85Å; V97-L115 HydrophobicContact CG2-CD1 4.33Å; V97-L115 HydrophobicContact CG2-CD2 4.49Å |
| 98 | D | 91.5 | Very high | 87.6 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 17% | 0.166 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 166.4 | 178.8 | -155.2 | -10.5 | 0 | 0 | 0 | 111.2 | F90 K111 R114 L115 | F90-D98 HydrophobicContact CB-CB 3.85Å; F90-D98 HydrophobicContact CD2-CB 3.72Å; F90-D98 HydrophobicContact CG-CB 3.95Å; F90-D98 PolarHBondContact N-O 3.01Å; F90-D98 PolarHBondContact O-N 2.69Å; D98-K111 IonicContact OD1-NZ 3.9Å; D98-K111 PolarHBondContact OD1-NZ 3.43Å; D98-K111 IonicContact OD2-NZ 3.21Å; D98-K111 PolarHBondContact OD2-NZ 2.91Å; D98-R114 IonicContact OD2-NH2 3.72Å; D98-R114 PolarHBondContact OD2-NH2 3.02Å; D98-L115 HydrophobicContact CB-CD1 3.95Å |
| 99 | R | 93.9 | Very high | 87.1 | Confident | 57 Ų | 57 | 48.9 Ų | 48.9 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 151.6 | 175 | 177 | 170 | 178.2 | 147.6 | -0.5 | 110.4 | Y80 E81 F88 L89 D101 K111 | Y80-R99 PolarHBondContact O-NH1 3.29Å; E81-R99 PolarHBondContact O-NH1 3.32Å; E81-R99 PolarHBondContact O-NH2 2.77Å; F88-R99 CarbonylContact O-C 3.6Å; F88-R99 WeakPolarHBondContact O-CA 3.44Å; L89-R99 HydrophobicContact CD2-CB 4.01Å; L89-R99 HydrophobicContact CD2-CG 3.79Å; R99-D101 IonicContact CZ-OD1 2.71Å; R99-D101 IonicContact CZ-OD2 3.94Å; R99-D101 VanDerWaalsContact NE-CG 3.32Å; R99-D101 IonicContact NE-OD1 3.58Å; R99-D101 PolarHBondContact NE-OD1 2.92Å; R99-D101 IonicContact NE-OD2 3.72Å; R99-D101 PolarHBondContact NE-OD2 3.2Å; R99-D101 IonicContact NH2-OD1 2.67Å; R99-D101 PolarHBondContact NH2-OD1 3.3Å; R99-K111 PolarHBondContact O-NZ 3.49Å |
| 100 | L | 88.9 | Confident | 86.5 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 119.4 | 169.3 | 172.8 | 64.8 | 0 | 0 | 0 | 109 | T87 F88 F90 H104 E107 L108 K111 | T87-L100 CarbonylContact C-O 3.6Å; F88-L100 HydrophobicContact CB-CB 4.21Å; F88-L100 HydrophobicContact CD2-CB 4.34Å; F88-L100 HydrophobicContact CD2-CD2 4.07Å; F88-L100 HydrophobicContact CD2-CG 4.16Å; F88-L100 PolarHBondContact N-O 3.44Å; F88-L100 PolarHBondContact O-N 3.14Å; F90-L100 HydrophobicContact CE2-CB 4.08Å; L100-H104 HydrophobicContact CD1-CB 4.27Å; L100-H104 HydrophobicContact CD2-CB 4.46Å; L100-E107 HydrophobicContact CD1-CB 4.36Å; L100-E107 VanDerWaalsContact CD1-CD 3.48Å; L100-E107 HydrophobicContact CD1-CG 4.06Å; L100-E107 HydrophobicContact CD2-CB 4.38Å; L100-L108 HydrophobicContact CD2-CB 3.77Å; L100-L108 HydrophobicContact CD2-CD1 4.41Å; L100-K111 HydrophobicContact CB-CD 4.23Å |
| 101 | D | 91.1 | Very high | 86.1 | Confident | 67 Ų | 67 | 55.8 Ų | 55.8 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 135.2 | 175.3 | -61 | -84.8 | 0 | 0 | 0 | 109.6 | T87 R99 H104 | T87-D101 PolarHBondContact OG1-OD1 3.49Å; R99-D101 IonicContact CZ-OD1 2.71Å; R99-D101 IonicContact CZ-OD2 3.94Å; R99-D101 VanDerWaalsContact NE-CG 3.32Å; R99-D101 IonicContact NE-OD1 3.58Å; R99-D101 PolarHBondContact NE-OD1 2.92Å; R99-D101 IonicContact NE-OD2 3.72Å; R99-D101 PolarHBondContact NE-OD2 3.2Å; R99-D101 IonicContact NH2-OD1 2.67Å; R99-D101 PolarHBondContact NH2-OD1 3.3Å; D101-H104 PolarHBondContact O-CD2 3.44Å; D101-H104 VanDerWaalsContact O-CD2 3.23Å |
| 102 | G | 86.4 | Confident | 86 | Confident | 20 Ų | 20 | 55.7 Ų | 55.7 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | S | Bend | trans | 89.4 | 171.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P86 H104 | P86-G102 WeakPolarHBondContact O-CA 3.44Å; P86-G102 PolarHBondContact O-N 2.84Å; G102-H104 VanDerWaalsContact C-N 3.34Å; G102-H104 PolarHBondContact O-N 3.2Å |
| 103 | A | 86.1 | Confident | 85.9 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 33% | 0.331 | 33% | 0.327 | S | S | . | . | trans | -86.8 | 65.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q45 M49 P86 | Q45-A103 HydrophobicContact CB-CB 3.71Å; Q45-A103 HydrophobicContact CG-CB 4.3Å; M49-A103 HydrophobicContact CG-CB 3.91Å; M49-A103 HydrophobicContact SD-CB 4.18Å; P86-A103 HydrophobicContact CG-CB 3.79Å | ||
| 104 | H | 84.7 | Confident | 86.1 | Confident | 84 Ų | 84 | 61.1 Ų | 61.1 | 39% | 0.389 | 33% | 0.326 | S | S | . | . | trans | -105.5 | 77.5 | -177.6 | -57.3 | -65.7 | 0 | 0 | 0 | 111.8 | L100 D101 G102 A106 E107 L108 | L100-H104 HydrophobicContact CD1-CB 4.27Å; L100-H104 HydrophobicContact CD2-CB 4.46Å; D101-H104 PolarHBondContact O-CD2 3.44Å; D101-H104 VanDerWaalsContact O-CD2 3.23Å; G102-H104 VanDerWaalsContact C-N 3.34Å; G102-H104 PolarHBondContact O-N 3.2Å; H104-A106 PolarHBondContact O-N 3.37Å; H104-E107 HydrophobicContact CB-CB 3.96Å; H104-E107 PolarHBondContact O-N 3.04Å; H104-E107 VanDerWaalsContact O-N 3.11Å; H104-L108 PolarHBondContact O-N 3.46Å | ||
| 105 | A | 77.6 | Confident | 86.4 | Confident | 38 Ų | 38 | 60.6 Ų | 60.6 | 31% | 0.314 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -51.2 | -47.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M49 V52 E107 L108 T109 | M49-A105 HydrophobicContact SD-CB 4.12Å; V52-A105 HydrophobicContact CG1-CB 4.16Å; V52-A105 HydrophobicContact CG2-CB 3.77Å; A105-E107 VanDerWaalsContact C-N 3.33Å; A105-E107 PolarHBondContact O-N 3.35Å; A105-L108 WeakPolarHBondContact O-CB 3.41Å; A105-L108 PolarHBondContact O-N 3.11Å; A105-T109 PolarHBondContact O-N 2.76Å; A105-T109 PolarHBondContact O-OG1 3.35Å; A105-T109 VanDerWaalsContact O-OG1 3.12Å |
| 106 | A | 71.2 | Confident | 86.3 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.2 | -36.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | H104 K110 | H104-A106 PolarHBondContact O-N 3.37Å; A106-K110 WeakPolarHBondContact O-CG 3.41Å; A106-K110 PolarHBondContact O-N 2.95Å; A106-K110 VanDerWaalsContact O-N 3.1Å |
| 107 | E | 74.3 | Confident | 85.4 | Confident | 85 Ų | 85 | 56 Ų | 56 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.8 | -40.3 | 177.7 | -169.6 | 176.8 | 162 | 0 | 0 | 111.3 | L100 H104 A105 T109 K110 K111 | L100-E107 HydrophobicContact CD1-CB 4.36Å; L100-E107 VanDerWaalsContact CD1-CD 3.48Å; L100-E107 HydrophobicContact CD1-CG 4.06Å; L100-E107 HydrophobicContact CD2-CB 4.38Å; H104-E107 HydrophobicContact CB-CB 3.96Å; H104-E107 PolarHBondContact O-N 3.04Å; H104-E107 VanDerWaalsContact O-N 3.11Å; A105-E107 VanDerWaalsContact C-N 3.33Å; A105-E107 PolarHBondContact O-N 3.35Å; E107-T109 PolarHBondContact O-N 3.49Å; E107-K110 PolarHBondContact O-N 2.82Å; E107-K111 HydrophobicContact CG-CD 4.3Å; E107-K111 WeakPolarHBondContact O-CB 3.11Å; E107-K111 WeakPolarHBondContact O-CG 3.45Å; E107-K111 PolarHBondContact O-N 3.45Å; E107-K111 WeakPolarHBondContact OE1-CE 3.48Å; E107-K111 IonicContact OE1-NZ 2.71Å |
| 108 | L | 88.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.5 | -51 | 171.9 | 178.4 | 60.6 | 0 | 0 | 0 | 110.7 | V35 M49 V52 M53 L56 F88 F90 L100 H104 A105 K110 K111 V112 | V35-L108 HydrophobicContact CG1-CD1 4.03Å; M49-L108 HydrophobicContact CE-CB 4.14Å; M49-L108 HydrophobicContact CE-CD2 3.36Å; M49-L108 HydrophobicContact CE-CG 4.38Å; V52-L108 HydrophobicContact CG1-CD2 4.1Å; M53-L108 HydrophobicContact CG-CD2 4.28Å; M53-L108 HydrophobicContact SD-CD2 4.02Å; L56-L108 HydrophobicContact CD1-CD2 4.12Å; L56-L108 HydrophobicContact CD1-CG 3.9Å; F88-L108 HydrophobicContact CB-CD1 4.26Å; F88-L108 HydrophobicContact CD1-CD1 3.85Å; F88-L108 HydrophobicContact CD1-CD2 3.9Å; F88-L108 HydrophobicContact CE1-CD1 4.47Å; F88-L108 HydrophobicContact CE1-CD2 3.67Å; F88-L108 HydrophobicContact CG-CD1 3.99Å; F88-L108 HydrophobicContact CZ-CD2 4.15Å; F90-L108 HydrophobicContact CE1-CD1 4.07Å; F90-L108 HydrophobicContact CZ-CD1 3.65Å; L100-L108 HydrophobicContact CD2-CB 3.77Å; L100-L108 HydrophobicContact CD2-CD1 4.41Å; H104-L108 PolarHBondContact O-N 3.46Å; A105-L108 WeakPolarHBondContact O-CB 3.41Å; A105-L108 PolarHBondContact O-N 3.11Å; L108-K110 PolarHBondContact O-N 3.04Å; L108-K111 PolarHBondContact O-N 3.05Å; L108-V112 HydrophobicContact CD1-CG2 4.24Å; L108-V112 WeakPolarHBondContact O-CG2 3.3Å; L108-V112 PolarHBondContact O-N 3.16Å |
| 109 | T | 86.9 | Confident | 81.1 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.7 | -48.5 | 177.3 | -60.7 | 0 | 0 | 0 | 0 | 112 | L56 A105 E107 K111 V112 Q113 | L56-T109 HydrophobicContact CD2-CG2 3.92Å; A105-T109 PolarHBondContact O-N 2.76Å; A105-T109 PolarHBondContact O-OG1 3.35Å; A105-T109 VanDerWaalsContact O-OG1 3.12Å; E107-T109 PolarHBondContact O-N 3.49Å; T109-K111 PolarHBondContact O-N 3.29Å; T109-V112 PolarHBondContact O-N 3.41Å; T109-Q113 HydrophobicContact CG2-CG 4.48Å; T109-Q113 VanDerWaalsContact O-CG 3.31Å; T109-Q113 WeakPolarHBondContact O-CG 3.31Å; T109-Q113 PolarHBondContact O-N 3.17Å |
| 110 | K | 83.8 | Confident | 78.6 | Confident | 118 Ų | 118 | 61.1 Ų | 61.1 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 177.7 | -77.2 | -179.8 | 175.7 | -172.8 | 0 | 112.1 | A106 E107 L108 Q113 R114 E183 | A106-K110 WeakPolarHBondContact O-CG 3.41Å; A106-K110 PolarHBondContact O-N 2.95Å; A106-K110 VanDerWaalsContact O-N 3.1Å; E107-K110 PolarHBondContact O-N 2.82Å; L108-K110 PolarHBondContact O-N 3.04Å; K110-Q113 PolarHBondContact O-N 2.84Å; K110-R114 WeakPolarHBondContact O-CB 3.35Å; K110-R114 PolarHBondContact O-N 2.81Å; K110-E183 IonicContact NZ-OE1 3.69Å; K110-E183 PolarHBondContact NZ-OE1 3.43Å |
| 111 | K | 88.9 | Confident | 77.3 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 12% | 0.117 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 179.2 | -76.5 | 175.7 | 179.5 | -100 | 0 | 111.3 | F90 D98 R99 L100 E107 L108 T109 R114 L115 | F90-K111 HydrophobicContact CE1-CB 3.7Å; F90-K111 HydrophobicContact CE2-CB 4.36Å; F90-K111 HydrophobicContact CE2-CD 3.85Å; F90-K111 HydrophobicContact CZ-CB 3.58Å; F90-K111 HydrophobicContact CZ-CD 3.8Å; F90-K111 HydrophobicContact CZ-CG 4.32Å; D98-K111 IonicContact OD1-NZ 3.9Å; D98-K111 PolarHBondContact OD1-NZ 3.43Å; D98-K111 IonicContact OD2-NZ 3.21Å; D98-K111 PolarHBondContact OD2-NZ 2.91Å; R99-K111 PolarHBondContact O-NZ 3.49Å; L100-K111 HydrophobicContact CB-CD 4.23Å; E107-K111 HydrophobicContact CG-CD 4.3Å; E107-K111 WeakPolarHBondContact O-CB 3.11Å; E107-K111 WeakPolarHBondContact O-CG 3.45Å; E107-K111 PolarHBondContact O-N 3.45Å; E107-K111 WeakPolarHBondContact OE1-CE 3.48Å; E107-K111 IonicContact OE1-NZ 2.71Å; L108-K111 PolarHBondContact O-N 3.05Å; T109-K111 PolarHBondContact O-N 3.29Å; K111-R114 PolarHBondContact O-N 3.49Å; K111-L115 WeakPolarHBondContact O-CB 3.48Å; K111-L115 VanDerWaalsContact O-CG 3.24Å; K111-L115 WeakPolarHBondContact O-CG 3.32Å; K111-L115 PolarHBondContact O-N 2.72Å |
| 112 | V | 91.5 | Very high | 74.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -60.5 | -50 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | L33 V35 L56 H60 F65 F90 L108 T109 R114 L115 A116 | L33-V112 HydrophobicContact CD2-CG1 4.46Å; V35-V112 HydrophobicContact CG2-CG2 3.81Å; L56-V112 HydrophobicContact CD1-CG2 4.21Å; H60-V112 HydrophobicContact CB-CG1 4.32Å; F65-V112 HydrophobicContact CE1-CG1 4.4Å; F65-V112 HydrophobicContact CE1-CG2 4.19Å; F65-V112 HydrophobicContact CZ-CG1 3.96Å; F90-V112 HydrophobicContact CE1-CG2 3.92Å; L108-V112 HydrophobicContact CD1-CG2 4.24Å; L108-V112 WeakPolarHBondContact O-CG2 3.3Å; L108-V112 PolarHBondContact O-N 3.16Å; T109-V112 PolarHBondContact O-N 3.41Å; V112-R114 VanDerWaalsContact C-N 3.33Å; V112-R114 PolarHBondContact O-N 2.82Å; V112-L115 PolarHBondContact O-N 2.98Å; V112-A116 WeakPolarHBondContact O-CB 3.24Å; V112-A116 PolarHBondContact O-N 2.71Å |
| 113 | Q | 87.5 | Confident | 72.2 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 43% | 0.425 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 178.5 | -73.6 | 172.8 | -6.9 | 0 | 0 | 111.9 | T109 K110 | T109-Q113 HydrophobicContact CG2-CG 4.48Å; T109-Q113 VanDerWaalsContact O-CG 3.31Å; T109-Q113 WeakPolarHBondContact O-CG 3.31Å; T109-Q113 PolarHBondContact O-N 3.17Å; K110-Q113 PolarHBondContact O-N 2.84Å |
| 114 | R | 87.4 | Confident | 69.8 | Low | 146 Ų | 146 | 74.2 Ų | 74.2 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.9 | -44.7 | 179.5 | -177 | -177.5 | 67.1 | 143.2 | -1.4 | 112.4 | D98 K110 K111 V112 | D98-R114 IonicContact OD2-NH2 3.72Å; D98-R114 PolarHBondContact OD2-NH2 3.02Å; K110-R114 WeakPolarHBondContact O-CB 3.35Å; K110-R114 PolarHBondContact O-N 2.81Å; K111-R114 PolarHBondContact O-N 3.49Å; V112-R114 VanDerWaalsContact C-N 3.33Å; V112-R114 PolarHBondContact O-N 2.82Å |
| 115 | L | 86.9 | Confident | 67.3 | Low | 30 Ų | 30 | 74.4 Ų | 74.4 | 16% | 0.157 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -85.4 | -22.1 | -171.9 | -65.6 | 171.4 | 0 | 0 | 0 | 113.5 | L33 F90 K92 V97 D98 K111 V112 | L33-L115 HydrophobicContact CD1-CB 3.74Å; L33-L115 HydrophobicContact CD1-CD1 4.23Å; L33-L115 HydrophobicContact CD2-CB 3.68Å; L33-L115 HydrophobicContact CG-CB 4.33Å; F90-L115 HydrophobicContact CB-CD1 3.87Å; F90-L115 HydrophobicContact CD1-CD1 3.68Å; F90-L115 HydrophobicContact CE1-CD1 4.41Å; F90-L115 HydrophobicContact CG-CD1 3.86Å; K92-L115 PolarHBondContact NZ-O 3.06Å; K92-L115 VanDerWaalsContact NZ-O 3.14Å; V97-L115 HydrophobicContact CG2-CD1 4.33Å; V97-L115 HydrophobicContact CG2-CD2 4.49Å; D98-L115 HydrophobicContact CB-CD1 3.95Å; K111-L115 WeakPolarHBondContact O-CB 3.48Å; K111-L115 VanDerWaalsContact O-CG 3.24Å; K111-L115 WeakPolarHBondContact O-CG 3.32Å; K111-L115 PolarHBondContact O-N 2.72Å; V112-L115 PolarHBondContact O-N 2.98Å |
| 116 | A | 83.7 | Confident | 65.3 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 30% | 0.298 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.7 | -25.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L33 V112 | L33-A116 HydrophobicContact CD2-CB 4.22Å; V112-A116 WeakPolarHBondContact O-CB 3.24Å; V112-A116 PolarHBondContact O-N 2.71Å |
| 117 | V | 72.3 | Confident | 64 | Low | 121 Ų | 121 | 83 Ų | 83 | 73% | 0.733 | 53% | 0.528 | S | S | * | . | trans | -85.3 | 113.8 | 175.2 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 118 | S | 54.1 | Low | 62.8 | Low | 72 Ų | 72 | 82.1 Ų | 82.1 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | trans | -142.1 | 125 | 167.6 | 55 | 0 | 0 | 0 | 0 | 115 | K92 | K92-S118 WeakPolarHBondContact CE-OG 3.34Å; K92-S118 PolarHBondContact NZ-OG 2.81Å | ||
| 119 | G | 38.7 | Very low | 62.3 | Low | 77 Ų | 77 | 86 Ų | 86 | 79% | 0.794 | 55% | 0.55 | S | S | * | * | -110.6 | 140.3 | 126.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 120 | S | 40.3 | Very low | 61.8 | Low | 114 Ų | 114 | 87.1 Ų | 87.1 | 80% | 0.797 | 55% | 0.554 | S | S | * | * | trans | -70.7 | -161.3 | -164.6 | -50 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 121 | P | 61.8 | Low | 61.6 | Low | 124 Ų | 124 | 85 Ų | 85 | 81% | 0.805 | 55% | 0.549 | S | S | * | . | -114.6 | -173.6 | -96.8 | 36.4 | -16.8 | 0 | 0 | 0 | 113 | |||||
| 122 | A | 38 | Very low | 61.4 | Low | 109 Ų | 109 | 88.2 Ų | 88.2 | 90% | 0.901 | 56% | 0.564 | S | S | * | * | trans | 85.3 | 110.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 123 | G | 31.7 | Very low | 61.3 | Low | 72 Ų | 72 | 92.1 Ų | 92.1 | 74% | 0.742 | 58% | 0.578 | S | S | * | * | trans | 139.1 | 68.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A125 | G123-A125 PolarHBondContact O-N 2.94Š| ||
| 124 | A | 35.8 | Very low | 61.3 | Low | 103 Ų | 103 | 87.8 Ų | 87.8 | 85% | 0.851 | 56% | 0.558 | S | S | * | * | trans | -62.7 | 80.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | E126 | A124-E126 VanDerWaalsContact C-N 3.31Å; A124-E126 PolarHBondContact O-N 3.23Å | ||
| 125 | A | 32.4 | Very low | 61.4 | Low | 88 Ų | 88 | 86.2 Ų | 86.2 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | trans | -77.7 | 100.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 103.5 | G123 V127 | G123-A125 PolarHBondContact O-N 2.94Å; A125-V127 PolarHBondContact O-N 3.12Å | ||
| 126 | E | 35.4 | Very low | 61.7 | Low | 173 Ų | 173 | 91.4 Ų | 91.4 | 81% | 0.808 | 58% | 0.577 | S | S | * | * | trans | -46 | 107.4 | 168.2 | -73.5 | 172.3 | 158.9 | 0 | 0 | 107.5 | A124 P128 | A124-E126 VanDerWaalsContact C-N 3.31Å; A124-E126 PolarHBondContact O-N 3.23Å; E126-P128 VanDerWaalsContact O-CD 3.27Å; E126-P128 WeakPolarHBondContact O-CD 3.16Å; E126-P128 VanDerWaalsContact O-N 3.16Å | ||
| 127 | V | 43.9 | Very low | 62.1 | Low | 121 Ų | 121 | 91.2 Ų | 91.2 | 73% | 0.733 | 57% | 0.571 | S | S | * | * | trans | -62.8 | 113.7 | 154.3 | -178.6 | 0 | 0 | 0 | 0 | 102.6 | A125 D129 | A125-V127 PolarHBondContact O-N 3.12Å; V127-D129 PolarHBondContact O-N 3.27Å; V127-D129 VanDerWaalsContact O-N 3.12Å | ||
| 128 | P | 48.8 | Very low | 63.1 | Low | 65 Ų | 65 | 85.6 Ų | 85.6 | 42% | 0.422 | 54% | 0.537 | S | S | . | . | trans | -55.1 | 128.6 | -174.7 | 19.1 | -28.4 | 0 | 0 | 0 | 107.5 | E126 L130 | E126-P128 VanDerWaalsContact O-CD 3.27Å; E126-P128 WeakPolarHBondContact O-CD 3.16Å; E126-P128 VanDerWaalsContact O-N 3.16Å; P128-L130 PolarHBondContact O-N 2.93Å; P128-L130 VanDerWaalsContact O-N 3.09Å | ||
| 129 | D | 77.5 | Confident | 64.9 | Low | 83 Ų | 83 | 86.7 Ų | 86.7 | 44% | 0.444 | 54% | 0.537 | S | S | . | . | trans | -44.6 | 123.8 | 170.4 | 169.4 | 22 | 0 | 0 | 0 | 107.1 | V127 N131 E132 R133 | V127-D129 PolarHBondContact O-N 3.27Å; V127-D129 VanDerWaalsContact O-N 3.12Å; D129-N131 PolarHBondContact O-N 2.85Å; D129-N131 VanDerWaalsContact O-N 3.1Å; D129-N131 PolarHBondContact OD1-N 3.49Å; D129-E132 HydrophobicContact CB-CB 4.19Å; D129-E132 HydrophobicContact CB-CG 3.96Å; D129-E132 WeakPolarHBondContact O-CA 3.41Å; D129-E132 WeakPolarHBondContact O-CB 3.41Å; D129-E132 PolarHBondContact O-N 3.47Å; D129-R133 PolarHBondContact O-N 2.67Å | ||
| 130 | L | 76.9 | Confident | 67.4 | Low | 60 Ų | 60 | 86.4 Ų | 86.4 | 31% | 0.314 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -53.7 | -37.5 | -176.3 | 176.7 | 61.1 | 0 | 0 | 0 | 109.2 | P128 E132 R133 L134 | P128-L130 PolarHBondContact O-N 2.93Å; P128-L130 VanDerWaalsContact O-N 3.09Å; L130-E132 PolarHBondContact O-N 3.07Å; L130-R133 CarbonylContact O-C 3.45Å; L130-R133 WeakPolarHBondContact O-CB 3.5Å; L130-R133 PolarHBondContact O-N 3.27Å; L130-R133 VanDerWaalsContact O-N 3.15Å; L130-L134 HydrophobicContact CD1-CD2 4.31Å; L130-L134 HydrophobicContact CD1-CG 4.21Å; L130-L134 HydrophobicContact CG-CD1 4.3Å; L130-L134 HydrophobicContact CG-CG 4.24Å; L130-L134 WeakPolarHBondContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.26Å; L130-L134 PolarHBondContact O-N 2.92Å |
| 131 | N | 80.4 | Confident | 69.6 | Low | 74 Ų | 74 | 81.6 Ų | 81.6 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 176.4 | -66.8 | -35.2 | 0 | 0 | 0 | 112.9 | D129 L134 K135 F191 | D129-N131 PolarHBondContact O-N 2.85Å; D129-N131 VanDerWaalsContact O-N 3.1Å; D129-N131 PolarHBondContact OD1-N 3.49Å; N131-L134 PolarHBondContact O-N 3.3Å; N131-K135 WeakPolarHBondContact O-CB 3.49Å; N131-K135 VanDerWaalsContact O-CG 3.28Å; N131-K135 WeakPolarHBondContact O-CG 3.43Å; N131-K135 PolarHBondContact O-N 2.96Å; N131-F191 HydrophobicContact CB-CE2 4.47Å |
| 132 | E | 84.4 | Confident | 70.8 | Confident | 93 Ų | 93 | 79.4 Ų | 79.4 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 171.7 | -72.2 | -171.2 | 172.1 | 0 | 0 | 112.1 | D129 L130 L134 K135 K136 | D129-E132 HydrophobicContact CB-CB 4.19Å; D129-E132 HydrophobicContact CB-CG 3.96Å; D129-E132 WeakPolarHBondContact O-CA 3.41Å; D129-E132 WeakPolarHBondContact O-CB 3.41Å; D129-E132 PolarHBondContact O-N 3.47Å; L130-E132 PolarHBondContact O-N 3.07Å; E132-L134 VanDerWaalsContact C-N 3.34Å; E132-K135 PolarHBondContact O-N 2.9Å; E132-K136 WeakPolarHBondContact O-CB 3.35Å; E132-K136 VanDerWaalsContact O-CG 3.3Å; E132-K136 WeakPolarHBondContact O-CG 3.48Å; E132-K136 PolarHBondContact O-N 3.09Å |
| 133 | R | 88.8 | Confident | 73.4 | Confident | 82 Ų | 82 | 74.2 Ų | 74.2 | 31% | 0.309 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 175.5 | -174.7 | -178.6 | -177.5 | -147.1 | -1.1 | 110.9 | D129 L130 K136 L137 D181 | D129-R133 PolarHBondContact O-N 2.67Å; L130-R133 CarbonylContact O-C 3.45Å; L130-R133 WeakPolarHBondContact O-CB 3.5Å; L130-R133 PolarHBondContact O-N 3.27Å; L130-R133 VanDerWaalsContact O-N 3.15Å; R133-K136 PolarHBondContact O-N 2.83Å; R133-L137 HydrophobicContact CG-CD1 4.4Å; R133-L137 WeakPolarHBondContact O-CG 3.42Å; R133-L137 PolarHBondContact O-N 3.24Å; R133-D181 IonicContact CZ-OD2 2.97Å; R133-D181 IonicContact NH1-OD1 2.8Å; R133-D181 IonicContact NH1-OD2 2.9Å; R133-D181 PolarHBondContact NH1-OD2 3.46Å; R133-D181 IonicContact NH2-OD2 2.91Å; R133-D181 PolarHBondContact NH2-OD2 2.94Å |
| 134 | L | 88.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | 176.4 | -67.8 | -174.9 | 0 | 0 | 0 | 111.3 | L130 N131 E132 K136 L137 I138 V184 G187 L188 F191 | L130-L134 HydrophobicContact CD1-CD2 4.31Å; L130-L134 HydrophobicContact CD1-CG 4.21Å; L130-L134 HydrophobicContact CG-CD1 4.3Å; L130-L134 HydrophobicContact CG-CG 4.24Å; L130-L134 WeakPolarHBondContact O-CB 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.26Å; L130-L134 PolarHBondContact O-N 2.92Å; N131-L134 PolarHBondContact O-N 3.3Å; E132-L134 VanDerWaalsContact C-N 3.34Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 2.98Å; L134-L137 PolarHBondContact O-N 3.47Å; L134-L137 VanDerWaalsContact O-N 3.12Å; L134-I138 VanDerWaalsContact O-CG1 3.26Å; L134-I138 WeakPolarHBondContact O-CG1 3.42Å; L134-I138 PolarHBondContact O-N 2.87Å; L134-V184 HydrophobicContact CD2-CB 4.29Å; L134-V184 HydrophobicContact CD2-CG1 3.99Å; L134-V184 HydrophobicContact CD2-CG2 4.25Å; L134-G187 VanDerWaalsContact CD1-C 3.43Å; L134-L188 HydrophobicContact CD2-CD2 4.4Å; L134-L188 HydrophobicContact CD2-CG 3.86Å; L134-F191 HydrophobicContact CD1-CB 3.8Å; L134-F191 HydrophobicContact CD1-CD2 4.3Å; L134-F191 HydrophobicContact CD1-CG 4.16Å |
| 135 | K | 90.1 | Very high | 79.5 | Confident | 114 Ų | 114 | 66.3 Ų | 66.3 | 50% | 0.496 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.4 | -45.3 | 174 | -77.2 | 174.3 | -179.6 | 176.7 | 0 | 111.5 | N131 E132 L137 I138 N139 F191 | N131-K135 WeakPolarHBondContact O-CB 3.49Å; N131-K135 VanDerWaalsContact O-CG 3.28Å; N131-K135 WeakPolarHBondContact O-CG 3.43Å; N131-K135 PolarHBondContact O-N 2.96Å; E132-K135 PolarHBondContact O-N 2.9Å; K135-L137 VanDerWaalsContact C-N 3.35Å; K135-L137 PolarHBondContact O-N 3.15Å; K135-I138 PolarHBondContact O-N 3.33Å; K135-N139 WeakPolarHBondContact O-CB 3.3Å; K135-N139 PolarHBondContact O-N 3.14Å; K135-N139 PolarHBondContact O-ND2 2.85Å; K135-F191 HydrophobicContact CG-CE2 4.12Å; K135-F191 HydrophobicContact CG-CZ 3.78Å |
| 136 | K | 92.1 | Very high | 82.6 | Confident | 138 Ų | 138 | 62.1 Ų | 62.1 | 60% | 0.6 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.7 | -42.2 | 176.1 | -76 | 170.6 | -179.7 | 166 | 0 | 111.9 | E132 R133 L134 N139 A140 | E132-K136 WeakPolarHBondContact O-CB 3.35Å; E132-K136 VanDerWaalsContact O-CG 3.3Å; E132-K136 WeakPolarHBondContact O-CG 3.48Å; E132-K136 PolarHBondContact O-N 3.09Å; R133-K136 PolarHBondContact O-N 2.83Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 2.98Å; K136-N139 CarbonylContact O-C 3.58Å; K136-N139 PolarHBondContact O-N 3.38Å; K136-A140 PolarHBondContact O-N 3.47Å |
| 137 | L | 92.3 | Very high | 85.6 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 17% | 0.173 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 177.8 | -72.5 | 171.1 | 0 | 0 | 0 | 112.4 | R133 L134 K135 N139 A140 M144 F146 F176 V184 | R133-L137 HydrophobicContact CG-CD1 4.4Å; R133-L137 WeakPolarHBondContact O-CG 3.42Å; R133-L137 PolarHBondContact O-N 3.24Å; L134-L137 PolarHBondContact O-N 3.47Å; L134-L137 VanDerWaalsContact O-N 3.12Å; K135-L137 VanDerWaalsContact C-N 3.35Å; K135-L137 PolarHBondContact O-N 3.15Å; L137-N139 VanDerWaalsContact C-N 3.25Å; L137-N139 PolarHBondContact O-N 3.4Å; L137-A140 VanDerWaalsContact O-CB 3.3Å; L137-A140 WeakPolarHBondContact O-CB 3.47Å; L137-A140 PolarHBondContact O-N 2.98Å; L137-M144 WeakPolarHBondContact O-CE 3.32Å; L137-F146 HydrophobicContact CB-CE1 4.17Å; L137-F146 HydrophobicContact CB-CZ 4.04Å; L137-F176 HydrophobicContact CD1-CE2 4.26Å; L137-F176 HydrophobicContact CD1-CZ 4.44Å; L137-F176 HydrophobicContact CD2-CD2 3.9Å; L137-F176 HydrophobicContact CD2-CE2 3.82Å; L137-V184 HydrophobicContact CD1-CB 4.41Å; L137-V184 HydrophobicContact CD1-CG1 3.81Å; L137-V184 HydrophobicContact CD1-CG2 3.62Å |
| 138 | I | 94.2 | Very high | 88 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.6 | -35.4 | 178.4 | -64.9 | 164.8 | 0 | 0 | 0 | 110.7 | L134 K135 M144 F146 L188 F191 Y201 G204 | L134-I138 VanDerWaalsContact O-CG1 3.26Å; L134-I138 WeakPolarHBondContact O-CG1 3.42Å; L134-I138 PolarHBondContact O-N 2.87Å; K135-I138 PolarHBondContact O-N 3.33Å; I138-M144 WeakPolarHBondContact O-CG 3.42Å; I138-F146 HydrophobicContact CG1-CE2 4.01Å; I138-F146 HydrophobicContact CG1-CZ 4.03Å; I138-L188 HydrophobicContact CD1-CD2 3.75Å; I138-L188 HydrophobicContact CG1-CD2 3.89Å; I138-F191 HydrophobicContact CD1-CD1 3.8Å; I138-F191 HydrophobicContact CD1-CE1 3.58Å; I138-F191 HydrophobicContact CD1-CZ 4.47Å; I138-Y201 HydrophobicContact CB-CD1 4.44Å; I138-Y201 HydrophobicContact CD1-CD1 4.26Å; I138-Y201 HydrophobicContact CD1-CE1 3.83Å; I138-Y201 HydrophobicContact CG1-CD1 4.19Å; I138-Y201 HydrophobicContact CG1-CE1 4.13Å; I138-Y201 HydrophobicContact CG1-CG 4.5Å; I138-Y201 HydrophobicContact CG2-CD1 3.37Å; I138-Y201 HydrophobicContact CG2-CE1 4.06Å; I138-Y201 HydrophobicContact CG2-CG 3.7Å; I138-G204 WeakPolarHBondContact CG2-O 3.15Å |
| 139 | N | 91.8 | Very high | 90.1 | Very high | 95 Ų | 95 | 47.9 Ų | 47.9 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 10.5 | 179.6 | -68.7 | -82.3 | 0 | 0 | 0 | 113.7 | K135 K136 L137 G141 G204 | K135-N139 WeakPolarHBondContact O-CB 3.3Å; K135-N139 PolarHBondContact O-N 3.14Å; K135-N139 PolarHBondContact O-ND2 2.85Å; K136-N139 CarbonylContact O-C 3.58Å; K136-N139 PolarHBondContact O-N 3.38Å; L137-N139 VanDerWaalsContact C-N 3.25Å; L137-N139 PolarHBondContact O-N 3.4Å; N139-G141 PolarHBondContact O-N 3.42Å; N139-G204 WeakPolarHBondContact OD1-CA 3.47Å |
| 140 | A | 89.3 | Confident | 91 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 59% | 0.587 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -67.4 | -18 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K136 L137 M144 | K136-A140 PolarHBondContact O-N 3.47Å; L137-A140 VanDerWaalsContact O-CB 3.3Å; L137-A140 WeakPolarHBondContact O-CB 3.47Å; L137-A140 PolarHBondContact O-N 2.98Å; A140-M144 HydrophobicContact CB-CE 4.19Å; A140-M144 HydrophobicContact CB-SD 4.03Å |
| 141 | G | 87.6 | Confident | 91.8 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -155.8 | 166.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N139 C143 | N139-G141 PolarHBondContact O-N 3.42Å; G141-C143 PolarHBondContact O-N 3.24Å |
| 142 | P | 86.3 | Confident | 92.5 | Very high | 77 Ų | 77 | 47.2 Ų | 47.2 | 50% | 0.5 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -67.9 | -21.5 | -178.3 | 29.9 | -36.7 | 0 | 0 | 0 | 112.5 | V202 N203 P227 | P142-V202 CarbonylContact O-C 3.51Å; P142-V202 VanDerWaalsContact O-CA 3.32Å; P142-V202 WeakPolarHBondContact O-CA 3.45Å; P142-V202 WeakPolarHBondContact O-CG1 3.36Å; P142-N203 PolarHBondContact O-N 3.45Å; P142-P227 HydrophobicContact CB-CB 4.39Å; P142-P227 HydrophobicContact CB-CG 4.02Å; P142-P227 HydrophobicContact CG-CG 4.17Å |
| 143 | C | 93.4 | Very high | 93 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 116 | 172.4 | -176 | 0 | 0 | 0 | 0 | 109.2 | G141 Q172 F173 S174 Y201 V202 P227 | G141-C143 PolarHBondContact O-N 3.24Å; C143-Q172 VanDerWaalsContact CB-O 3.29Å; C143-Q172 WeakPolarHBondContact CB-O 3.38Å; C143-F173 HydrophobicContact CB-CB 4.15Å; C143-F173 WeakPolarHBondContact O-CA 3.42Å; C143-S174 PolarHBondContact O-N 2.86Å; C143-Y201 CarbonylContact C-O 3.53Å; C143-Y201 VanDerWaalsContact CA-O 3.3Å; C143-Y201 WeakPolarHBondContact CA-O 3.48Å; C143-V202 HydrophobicContact CB-CG2 4.37Å; C143-P227 HydrophobicContact CB-CG 3.51Å |
| 144 | M | 97.3 | Very high | 93.3 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 4% | 0.044 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.8 | -176 | -72.9 | -59 | -61 | 0 | 0 | 110.8 | L137 I138 A140 F146 S174 Y201 | L137-M144 WeakPolarHBondContact O-CE 3.32Å; I138-M144 WeakPolarHBondContact O-CG 3.42Å; A140-M144 HydrophobicContact CB-CE 4.19Å; A140-M144 HydrophobicContact CB-SD 4.03Å; M144-F146 HydrophobicContact CB-CE2 3.93Å; M144-S174 WeakPolarHBondContact CA-O 3.3Å; M144-S174 WeakPolarHBondContact SD-CB 3.3Å; M144-Y201 PolarHBondContact N-O 3.05Å; M144-Y201 PolarHBondContact O-N 3.05Å |
| 145 | L | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 112 | 175.3 | 178.3 | 64.3 | 0 | 0 | 0 | 111 | M147 I162 V163 L166 F173 S174 S175 F176 P198 L200 | L145-M147 HydrophobicContact CD2-CB 4.35Å; L145-M147 HydrophobicContact CD2-CG 4.38Å; L145-M147 HydrophobicContact CD2-SD 3.72Å; L145-M147 HydrophobicContact CG-CB 4.13Å; L145-M147 HydrophobicContact CG-CG 4.33Å; L145-M147 HydrophobicContact CG-SD 4.29Å; L145-I162 HydrophobicContact CD1-CD1 3.82Å; L145-I162 HydrophobicContact CD1-CG1 4.34Å; L145-I162 HydrophobicContact CD1-CG2 3.95Å; L145-I162 HydrophobicContact CD2-CG2 3.93Å; L145-V163 HydrophobicContact CD2-CG2 3.77Å; L145-L166 HydrophobicContact CD2-CD1 4.19Å; L145-F173 HydrophobicContact CB-CD2 3.69Å; L145-F173 HydrophobicContact CB-CE2 4.2Å; L145-F173 HydrophobicContact CD2-CD2 3.92Å; L145-F173 HydrophobicContact CD2-CE2 3.56Å; L145-F173 HydrophobicContact CD2-CZ 4.27Å; L145-F173 HydrophobicContact CG-CD2 4.46Å; L145-S174 PolarHBondContact N-O 3.08Å; L145-S175 CarbonylContact O-C 3.53Å; L145-S175 WeakPolarHBondContact O-CA 3.48Å; L145-F176 PolarHBondContact O-N 3.39Å; L145-P198 HydrophobicContact CD1-CB 3.93Å; L145-L200 HydrophobicContact CB-CD1 4.22Å; L145-L200 HydrophobicContact CD1-CD1 4.25Å |
| 146 | F | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 113.9 | 171 | -65.1 | -91.5 | 0 | 0 | 0 | 109.1 | L137 I138 M144 F176 I178 L188 Y197 P198 Q199 Y201 | L137-F146 HydrophobicContact CB-CE1 4.17Å; L137-F146 HydrophobicContact CB-CZ 4.04Å; I138-F146 HydrophobicContact CG1-CE2 4.01Å; I138-F146 HydrophobicContact CG1-CZ 4.03Å; M144-F146 HydrophobicContact CB-CE2 3.93Å; F146-F176 HydrophobicContact CD1-CB 3.63Å; F146-F176 AromaticContact CD1-CD1 3.92Å; F146-F176 HydrophobicContact CD1-CD1 3.92Å; F146-F176 HydrophobicContact CD1-CG 4.02Å; F146-F176 HydrophobicContact CE1-CB 3.73Å; F146-F176 HydrophobicContact CE1-CD1 4.17Å; F146-F176 AromaticContact CE1-CG 3.97Å; F146-F176 HydrophobicContact CE1-CG 3.97Å; F146-I178 HydrophobicContact CB-CG2 3.86Å; F146-I178 HydrophobicContact CD1-CG2 4.13Å; F146-L188 HydrophobicContact CB-CD1 4.31Å; F146-L188 HydrophobicContact CD1-CD1 3.23Å; F146-L188 HydrophobicContact CD2-CD1 4.26Å; F146-L188 HydrophobicContact CE1-CD1 3.47Å; F146-L188 VanDerWaalsContact CE1-CD1 3.47Å; F146-L188 HydrophobicContact CE2-CD1 4.44Å; F146-L188 HydrophobicContact CG-CD1 3.68Å; F146-L188 HydrophobicContact CZ-CD1 4.07Å; F146-Y197 HydrophobicContact CB-CD1 4.13Å; F146-Y197 HydrophobicContact CB-CE1 3.84Å; F146-P198 CarbonylContact O-C 3.55Å; F146-P198 VanDerWaalsContact O-CA 3.25Å; F146-P198 WeakPolarHBondContact O-CA 3.3Å; F146-Q199 HydrophobicContact CB-CB 4.44Å; F146-Q199 PolarHBondContact N-O 3.31Å; F146-Q199 PolarHBondContact O-N 2.93Å; F146-Y201 AromaticContact CD2-CD2 3.6Å; F146-Y201 HydrophobicContact CD2-CD2 3.6Å; F146-Y201 AromaticContact CD2-CE2 3.69Å; F146-Y201 HydrophobicContact CD2-CE2 3.69Å; F146-Y201 AromaticContact CE2-CD2 3.72Å; F146-Y201 HydrophobicContact CE2-CD2 3.72Å; F146-Y201 AromaticContact CE2-CE2 3.98Å; F146-Y201 HydrophobicContact CE2-CE2 3.98Å; F146-Y201 HydrophobicContact CE2-CG 4.45Å |
| 147 | M | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 166.6 | -169.6 | 64 | 177.8 | -64.8 | 0 | 0 | 112.3 | L145 G149 S150 P151 P154 V163 F176 D177 I178 P198 | L145-M147 HydrophobicContact CD2-CB 4.35Å; L145-M147 HydrophobicContact CD2-CG 4.38Å; L145-M147 HydrophobicContact CD2-SD 3.72Å; L145-M147 HydrophobicContact CG-CB 4.13Å; L145-M147 HydrophobicContact CG-CG 4.33Å; L145-M147 HydrophobicContact CG-SD 4.29Å; M147-G149 WeakPolarHBondContact CG-O 3.5Å; M147-S150 VanDerWaalsContact CE-O 3.29Å; M147-S150 WeakPolarHBondContact CE-O 3.18Å; M147-P151 HydrophobicContact SD-CG 4.11Å; M147-P154 HydrophobicContact CE-CB 3.9Å; M147-V163 HydrophobicContact CE-CG2 3.59Å; M147-V163 HydrophobicContact SD-CG2 3.78Å; M147-F176 PolarHBondContact N-O 3.42Å; M147-D177 WeakPolarHBondContact O-CA 3.46Å; M147-I178 WeakPolarHBondContact O-CG1 3.41Å; M147-I178 PolarHBondContact O-N 3.48Å; M147-P198 HydrophobicContact CB-CB 4.38Å |
| 148 | K | 94.6 | Very high | 93.8 | Very high | 57 Ų | 57 | 49.3 Ų | 49.3 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -87.2 | 112.2 | 172.5 | -68.9 | 168.5 | -177.5 | 171.9 | 0 | 108.9 | R155 C156 S159 I178 L179 | K148-R155 PolarHBondContact O-N 2.84Å; K148-C156 HydrophobicContact CB-CB 3.83Å; K148-C156 HydrophobicContact CD-CB 3.66Å; K148-C156 HydrophobicContact CG-CB 4.36Å; K148-S159 PolarHBondContact N-OG 2.83Å; K148-S159 VanDerWaalsContact N-OG 3.16Å; K148-I178 HydrophobicContact CG-CD1 3.54Å; K148-I178 HydrophobicContact CG-CG1 4.32Å; K148-L179 HydrophobicContact CB-CD1 4.02Å; K148-L179 HydrophobicContact CB-CG 4.21Å; K148-L179 HydrophobicContact CG-CD1 4.38Å; K148-L179 HydrophobicContact CG-CD2 4.16Å; K148-L179 HydrophobicContact CG-CG 4.17Å |
| 149 | G | 93.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | 86.5 | -153.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M147 D177 | M147-G149 WeakPolarHBondContact CG-O 3.5Å; G149-D177 VanDerWaalsContact N-CG 3.34Å; G149-D177 PolarHBondContact N-OD1 2.97Å; G149-D177 WeakPolarHBondContact O-CB 3.3Å |
| 150 | S | 96.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 25% | 0.245 | 27% | 0.269 | C | S | . | . | trans | -121.1 | 168.9 | -179.1 | 72.6 | 0 | 0 | 0 | 0 | 112 | M147 Q152 E153 P154 | M147-S150 VanDerWaalsContact CE-O 3.29Å; M147-S150 WeakPolarHBondContact CE-O 3.18Å; S150-Q152 PolarHBondContact O-N 3.38Å; S150-E153 PolarHBondContact N-O 2.87Å; S150-E153 VanDerWaalsContact N-O 3.1Å; S150-E153 CarbonylContact O-C 3.54Å; S150-E153 PolarHBondContact O-N 3.35Å; S150-E153 VanDerWaalsContact O-N 3.15Å; S150-E153 PolarHBondContact OG-N 2.86Å; S150-P154 WeakPolarHBondContact O-CA 3.37Å; S150-P154 WeakPolarHBondContact O-CD 3.44Å | ||
| 151 | P | 94.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 53 Ų | 53 | 10% | 0.097 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -62.8 | -23.4 | 176.4 | -25 | 36.2 | 0 | 0 | 0 | 114 | M147 V163 K167 F173 S175 | M147-P151 HydrophobicContact SD-CG 4.11Å; P151-V163 HydrophobicContact CB-CG1 4.16Å; P151-V163 HydrophobicContact CB-CG2 4.36Å; P151-K167 PolarHBondContact O-NZ 2.9Å; P151-F173 HydrophobicContact CB-CE2 4.26Å; P151-F173 HydrophobicContact CB-CZ 4.3Å; P151-F173 HydrophobicContact CG-CE2 3.81Å; P151-F173 HydrophobicContact CG-CZ 4.34Å; P151-S175 WeakPolarHBondContact CD-OG 3.24Å; P151-S175 VanDerWaalsContact CG-OG 3.27Å; P151-S175 WeakPolarHBondContact CG-OG 3.27Å |
| 152 | Q | 94.2 | Very high | 95 | Very high | 153 Ų | 153 | 52.4 Ų | 52.4 | 72% | 0.715 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -86.5 | -35.9 | 174 | -63.7 | 73.8 | 23.6 | 0 | 0 | 111.2 | S150 | S150-Q152 PolarHBondContact O-N 3.38Š|
| 153 | E | 94.6 | Very high | 95.6 | Very high | 131 Ų | 131 | 49 Ų | 49 | 61% | 0.612 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -129.2 | 71.7 | -177.4 | -62.5 | -174.3 | 169.1 | 0 | 0 | 111.9 | S150 R155 | S150-E153 PolarHBondContact N-O 2.87Å; S150-E153 VanDerWaalsContact N-O 3.1Å; S150-E153 CarbonylContact O-C 3.54Å; S150-E153 PolarHBondContact O-N 3.35Å; S150-E153 VanDerWaalsContact O-N 3.15Å; S150-E153 PolarHBondContact OG-N 2.86Å; E153-R155 PolarHBondContact O-N 2.89Å |
| 154 | P | 95.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 50.7 Ų | 50.7 | 16% | 0.156 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -72.1 | 126.9 | 179.6 | 26.5 | -32.6 | 0 | 0 | 0 | 110.9 | M147 S150 R160 | M147-P154 HydrophobicContact CE-CB 3.9Å; S150-P154 WeakPolarHBondContact O-CA 3.37Å; S150-P154 WeakPolarHBondContact O-CD 3.44Å; P154-R160 HydrophobicContact CB-CB 3.95Å; P154-R160 HydrophobicContact CG-CB 3.82Å; P154-R160 HydrophobicContact CG-CG 3.85Å |
| 155 | R | 90.5 | Very high | 95.6 | Very high | 169 Ų | 169 | 51.4 Ų | 51.4 | 64% | 0.638 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -95.2 | 7.1 | -176.2 | -65.7 | -179 | 176.5 | -171 | 0.5 | 113.9 | K148 E153 L179 | K148-R155 PolarHBondContact O-N 2.84Å; E153-R155 PolarHBondContact O-N 2.89Å; R155-L179 HydrophobicContact CB-CD1 4.19Å |
| 156 | C | 93.9 | Very high | 95.5 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -147 | 145.1 | 178.9 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | K148 F158 S159 R160 | K148-C156 HydrophobicContact CB-CB 3.83Å; K148-C156 HydrophobicContact CD-CB 3.66Å; K148-C156 HydrophobicContact CG-CB 4.36Å; C156-F158 PolarHBondContact O-N 3.18Å; C156-S159 WeakPolarHBondContact O-CB 3.11Å; C156-S159 PolarHBondContact O-N 3.15Å; C156-R160 PolarHBondContact O-N 3.33Å |
| 157 | G | 93.6 | Very high | 95.2 | Very high | 38 Ų | 38 | 56.9 Ų | 56.9 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S159 R160 Q161 | G157-S159 PolarHBondContact O-N 3.03Å; G157-R160 WeakPolarHBondContact O-CB 3.49Å; G157-R160 PolarHBondContact O-N 3.12Å; G157-Q161 WeakPolarHBondContact O-CG 3.3Å; G157-Q161 PolarHBondContact O-N 3.26Å |
| 158 | F | 95.6 | Very high | 94.9 | Very high | 119 Ų | 119 | 64 Ų | 64 | 52% | 0.522 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.8 | -58.6 | -68.2 | 0 | 0 | 0 | 112.5 | C156 R160 Q161 I162 P198 L210 | C156-F158 PolarHBondContact O-N 3.18Å; F158-R160 VanDerWaalsContact C-N 3.32Å; F158-R160 PolarHBondContact O-N 3.31Å; F158-Q161 PolarHBondContact O-N 3.32Å; F158-I162 PolarHBondContact O-N 2.91Å; F158-P198 HydrophobicContact CB-CG 4.43Å; F158-L210 HydrophobicContact CB-CD2 4.24Å; F158-L210 HydrophobicContact CD1-CD2 3.73Å; F158-L210 HydrophobicContact CG-CD2 4.5Å |
| 159 | S | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 175.3 | -62 | 0 | 0 | 0 | 0 | 112 | K148 C156 G157 I162 V163 | K148-S159 PolarHBondContact N-OG 2.83Å; K148-S159 VanDerWaalsContact N-OG 3.16Å; C156-S159 WeakPolarHBondContact O-CB 3.11Å; C156-S159 PolarHBondContact O-N 3.15Å; G157-S159 PolarHBondContact O-N 3.03Å; S159-I162 WeakPolarHBondContact O-CG2 3.47Å; S159-V163 WeakPolarHBondContact O-CG2 3.29Å; S159-V163 PolarHBondContact O-N 3.39Å |
| 160 | R | 98 | Very high | 94.2 | Very high | 151 Ų | 151 | 68.7 Ų | 68.7 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.1 | -43.1 | 173.6 | -171.2 | -179.5 | -57.8 | 127.6 | 5.8 | 111.8 | P154 C156 G157 F158 G164 | P154-R160 HydrophobicContact CB-CB 3.95Å; P154-R160 HydrophobicContact CG-CB 3.82Å; P154-R160 HydrophobicContact CG-CG 3.85Å; C156-R160 PolarHBondContact O-N 3.33Å; G157-R160 WeakPolarHBondContact O-CB 3.49Å; G157-R160 PolarHBondContact O-N 3.12Å; F158-R160 VanDerWaalsContact C-N 3.32Å; F158-R160 PolarHBondContact O-N 3.31Å; R160-G164 PolarHBondContact O-N 3.36Å |
| 161 | Q | 97.6 | Very high | 93.9 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | -179.3 | -75.1 | 178.1 | -45.7 | 0 | 0 | 112.2 | G157 F158 V163 G164 L165 L210 | G157-Q161 WeakPolarHBondContact O-CG 3.3Å; G157-Q161 PolarHBondContact O-N 3.26Å; F158-Q161 PolarHBondContact O-N 3.32Å; Q161-V163 VanDerWaalsContact C-N 3.31Å; Q161-V163 PolarHBondContact O-N 2.9Å; Q161-G164 PolarHBondContact O-N 2.9Å; Q161-L165 PolarHBondContact O-N 3.42Å; Q161-L210 HydrophobicContact CB-CD1 3.94Å; Q161-L210 HydrophobicContact CB-CD2 3.77Å; Q161-L210 VanDerWaalsContact OE1-CD2 3.25Å |
| 162 | I | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | -179.5 | -163.4 | 165.4 | 0 | 0 | 0 | 111.3 | L145 F158 S159 G164 L165 L166 P198 L200 L210 V213 | L145-I162 HydrophobicContact CD1-CD1 3.82Å; L145-I162 HydrophobicContact CD1-CG1 4.34Å; L145-I162 HydrophobicContact CD1-CG2 3.95Å; L145-I162 HydrophobicContact CD2-CG2 3.93Å; F158-I162 PolarHBondContact O-N 2.91Å; S159-I162 WeakPolarHBondContact O-CG2 3.47Å; I162-G164 VanDerWaalsContact C-N 3.33Å; I162-G164 PolarHBondContact O-N 3.43Å; I162-L165 PolarHBondContact O-N 3.08Å; I162-L166 HydrophobicContact CG1-CD1 4.26Å; I162-L166 HydrophobicContact CG1-CG 4.36Å; I162-L166 VanDerWaalsContact O-CG 3.3Å; I162-L166 WeakPolarHBondContact O-CG 3.47Å; I162-L166 PolarHBondContact O-N 3.46Å; I162-P198 HydrophobicContact CB-CG 4.01Å; I162-P198 HydrophobicContact CD1-CB 4.18Å; I162-P198 HydrophobicContact CD1-CG 3.94Å; I162-P198 HydrophobicContact CG2-CB 3.8Å; I162-P198 HydrophobicContact CG2-CG 3.6Å; I162-L200 HydrophobicContact CD1-CB 4.39Å; I162-L210 HydrophobicContact CB-CD1 3.72Å; I162-L210 HydrophobicContact CG1-CD1 4.28Å; I162-V213 HydrophobicContact CD1-CB 4.31Å; I162-V213 HydrophobicContact CD1-CG1 4.42Å; I162-V213 HydrophobicContact CD1-CG2 4.07Å; I162-V213 HydrophobicContact CG1-CG1 4.26Å |
| 163 | V | 97.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.8 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | L145 M147 P151 S159 Q161 K167 F173 | L145-V163 HydrophobicContact CD2-CG2 3.77Å; M147-V163 HydrophobicContact CE-CG2 3.59Å; M147-V163 HydrophobicContact SD-CG2 3.78Å; P151-V163 HydrophobicContact CB-CG1 4.16Å; P151-V163 HydrophobicContact CB-CG2 4.36Å; S159-V163 WeakPolarHBondContact O-CG2 3.29Å; S159-V163 PolarHBondContact O-N 3.39Å; Q161-V163 VanDerWaalsContact C-N 3.31Å; Q161-V163 PolarHBondContact O-N 2.9Å; V163-K167 HydrophobicContact CG1-CD 4.04Å; V163-K167 WeakPolarHBondContact O-CB 3.39Å; V163-K167 VanDerWaalsContact O-CG 3.27Å; V163-K167 WeakPolarHBondContact O-CG 3.33Å; V163-K167 PolarHBondContact O-N 3.11Å; V163-K167 VanDerWaalsContact O-N 3.12Å; V163-F173 HydrophobicContact CG1-CZ 4.29Å; V163-F173 HydrophobicContact CG2-CE2 4.4Å; V163-F173 HydrophobicContact CG2-CZ 4.17Å |
| 164 | G | 96 | Very high | 93.5 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R160 Q161 I162 K167 E168 | R160-G164 PolarHBondContact O-N 3.36Å; Q161-G164 PolarHBondContact O-N 2.9Å; I162-G164 VanDerWaalsContact C-N 3.33Å; I162-G164 PolarHBondContact O-N 3.43Å; G164-K167 PolarHBondContact O-N 3.13Å; G164-E168 WeakPolarHBondContact O-CB 3.44Å; G164-E168 PolarHBondContact O-N 3.01Å |
| 165 | L | 95.8 | Very high | 93.6 | Very high | 24 Ų | 24 | 64.8 Ų | 64.8 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.9 | -48.3 | -179.5 | -172.5 | 64.7 | 0 | 0 | 0 | 112.4 | Q161 I162 K167 E168 H169 V213 K214 A217 | Q161-L165 PolarHBondContact O-N 3.42Å; I162-L165 PolarHBondContact O-N 3.08Å; L165-K167 VanDerWaalsContact C-N 3.29Å; L165-K167 PolarHBondContact O-N 3.37Å; L165-E168 PolarHBondContact O-N 3.1Å; L165-H169 PolarHBondContact O-CD2 3.12Å; L165-H169 PolarHBondContact O-N 3.45Å; L165-H169 VanDerWaalsContact O-N 3.12Å; L165-V213 HydrophobicContact CD2-CB 4.47Å; L165-V213 HydrophobicContact CD2-CG1 3.74Å; L165-K214 HydrophobicContact CD2-CB 4.46Å; L165-K214 HydrophobicContact CD2-CG 3.84Å; L165-A217 HydrophobicContact CD1-CB 3.8Å; L165-A217 HydrophobicContact CD2-CB 4.16Å; L165-A217 HydrophobicContact CG-CB 4.24Å |
| 166 | L | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 178.1 | -65.5 | 175.7 | 0 | 0 | 0 | 112.1 | L145 I162 N170 I171 F173 L200 V213 L222 | L145-L166 HydrophobicContact CD2-CD1 4.19Å; I162-L166 HydrophobicContact CG1-CD1 4.26Å; I162-L166 HydrophobicContact CG1-CG 4.36Å; I162-L166 VanDerWaalsContact O-CG 3.3Å; I162-L166 WeakPolarHBondContact O-CG 3.47Å; I162-L166 PolarHBondContact O-N 3.46Å; L166-N170 PolarHBondContact O-N 3.08Å; L166-I171 HydrophobicContact CB-CB 4.3Å; L166-I171 HydrophobicContact CD2-CB 4.16Å; L166-I171 HydrophobicContact CD2-CD1 3.74Å; L166-I171 HydrophobicContact CD2-CG2 4Å; L166-I171 WeakPolarHBondContact O-CB 3.44Å; L166-I171 PolarHBondContact O-N 3.31Å; L166-F173 HydrophobicContact CB-CD1 3.76Å; L166-F173 HydrophobicContact CB-CE1 3.57Å; L166-F173 HydrophobicContact CB-CZ 4.46Å; L166-F173 HydrophobicContact CD1-CB 4.5Å; L166-F173 HydrophobicContact CD1-CD1 3.66Å; L166-F173 HydrophobicContact CD1-CD2 4.3Å; L166-F173 HydrophobicContact CD1-CE1 3.86Å; L166-F173 HydrophobicContact CD1-CE2 4.46Å; L166-F173 HydrophobicContact CD1-CG 3.9Å; L166-F173 HydrophobicContact CD1-CZ 4.26Å; L166-F173 HydrophobicContact CG-CD1 4.33Å; L166-F173 HydrophobicContact CG-CE1 4.39Å; L166-L200 HydrophobicContact CD1-CD1 3.93Å; L166-L200 HydrophobicContact CD2-CD2 4Å; L166-V213 HydrophobicContact CD2-CG1 4.28Å; L166-L222 HydrophobicContact CD2-CD2 4.48Å |
| 167 | K | 91.7 | Very high | 94 | Very high | 114 Ų | 114 | 59.3 Ų | 59.3 | 50% | 0.496 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.1 | -42.3 | 175.8 | -75.9 | 175.9 | 177.3 | 175.7 | 0 | 112.3 | P151 V163 G164 L165 H169 N170 | P151-K167 PolarHBondContact O-NZ 2.9Å; V163-K167 HydrophobicContact CG1-CD 4.04Å; V163-K167 WeakPolarHBondContact O-CB 3.39Å; V163-K167 VanDerWaalsContact O-CG 3.27Å; V163-K167 WeakPolarHBondContact O-CG 3.33Å; V163-K167 PolarHBondContact O-N 3.11Å; V163-K167 VanDerWaalsContact O-N 3.12Å; G164-K167 PolarHBondContact O-N 3.13Å; L165-K167 VanDerWaalsContact C-N 3.29Å; L165-K167 PolarHBondContact O-N 3.37Å; K167-H169 VanDerWaalsContact C-N 3.26Å; K167-H169 PolarHBondContact O-N 3.49Å; K167-N170 PolarHBondContact O-N 3.09Å; K167-N170 VanDerWaalsContact O-N 3.08Å |
| 168 | E | 91.6 | Very high | 93.9 | Very high | 149 Ų | 149 | 57.5 Ų | 57.5 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.3 | -40.2 | 177.5 | -177.4 | 172.4 | -171.6 | 0 | 0 | 111.6 | G164 L165 N170 | G164-E168 WeakPolarHBondContact O-CB 3.44Å; G164-E168 PolarHBondContact O-N 3.01Å; L165-E168 PolarHBondContact O-N 3.1Å; E168-N170 VanDerWaalsContact C-N 3.31Å; E168-N170 PolarHBondContact O-N 3.12Å |
| 169 | H | 88.9 | Confident | 93.3 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 10.4 | 177.1 | -72.5 | -89.2 | 0 | 0 | 0 | 114.5 | L165 K167 I171 E223 | L165-H169 PolarHBondContact O-CD2 3.12Å; L165-H169 PolarHBondContact O-N 3.45Å; L165-H169 VanDerWaalsContact O-N 3.12Å; K167-H169 VanDerWaalsContact C-N 3.26Å; K167-H169 PolarHBondContact O-N 3.49Å; H169-I171 HydrophobicContact CB-CD1 3.78Å; H169-I171 HydrophobicContact CB-CG1 4.06Å; H169-I171 PolarHBondContact O-N 2.81Å; H169-E223 IonicContact ND1-OE1 3.94Å |
| 170 | N | 85.8 | Confident | 92.9 | Very high | 117 Ų | 117 | 59.4 Ų | 59.4 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 32.8 | -179.5 | -58.9 | -70.6 | 0 | 0 | 0 | 114.3 | L166 K167 E168 A229 | L166-N170 PolarHBondContact O-N 3.08Å; K167-N170 PolarHBondContact O-N 3.09Å; K167-N170 VanDerWaalsContact O-N 3.08Å; E168-N170 VanDerWaalsContact C-N 3.31Å; E168-N170 PolarHBondContact O-N 3.12Å; N170-A229 PolarHBondContact O-N 3.45Å |
| 171 | I | 89.1 | Confident | 92.3 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 125.2 | 178 | -65.2 | 163.4 | 0 | 0 | 0 | 108.5 | L166 H169 F173 L222 C226 | L166-I171 HydrophobicContact CB-CB 4.3Å; L166-I171 HydrophobicContact CD2-CB 4.16Å; L166-I171 HydrophobicContact CD2-CD1 3.74Å; L166-I171 HydrophobicContact CD2-CG2 4Å; L166-I171 WeakPolarHBondContact O-CB 3.44Å; L166-I171 PolarHBondContact O-N 3.31Å; H169-I171 HydrophobicContact CB-CD1 3.78Å; H169-I171 HydrophobicContact CB-CG1 4.06Å; H169-I171 PolarHBondContact O-N 2.81Å; I171-F173 WeakPolarHBondContact O-CD1 3.4Å; I171-L222 HydrophobicContact CD1-CD1 4.3Å; I171-L222 HydrophobicContact CD1-CD2 3.57Å; I171-L222 HydrophobicContact CD1-CG 3.53Å; I171-C226 HydrophobicContact CB-CB 4.43Å; I171-C226 HydrophobicContact CD1-CB 3.98Å; I171-C226 HydrophobicContact CG1-CB 4.02Å; I171-C226 HydrophobicContact CG2-CB 3.54Å |
| 172 | Q | 86.9 | Confident | 91.4 | Very high | 121 Ų | 121 | 53.5 Ų | 53.5 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | trans | -82.3 | 132.3 | 172.2 | -69.4 | -68.2 | -38.6 | 0 | 0 | 109 | C143 P227 A229 | C143-Q172 VanDerWaalsContact CB-O 3.29Å; C143-Q172 WeakPolarHBondContact CB-O 3.38Å; Q172-P227 PolarHBondContact N-O 3.44Å; Q172-A229 HydrophobicContact CG-CB 3.56Å | ||
| 173 | F | 93.6 | Very high | 90.5 | Very high | 36 Ų | 36 | 58.4 Ų | 58.4 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | trans | -146.7 | 146.1 | 176.8 | 64.9 | -85.2 | 0 | 0 | 0 | 110.3 | C143 L145 P151 V163 L166 I171 | C143-F173 HydrophobicContact CB-CB 4.15Å; C143-F173 WeakPolarHBondContact O-CA 3.42Å; L145-F173 HydrophobicContact CB-CD2 3.69Å; L145-F173 HydrophobicContact CB-CE2 4.2Å; L145-F173 HydrophobicContact CD2-CD2 3.92Å; L145-F173 HydrophobicContact CD2-CE2 3.56Å; L145-F173 HydrophobicContact CD2-CZ 4.27Å; L145-F173 HydrophobicContact CG-CD2 4.46Å; P151-F173 HydrophobicContact CB-CE2 4.26Å; P151-F173 HydrophobicContact CB-CZ 4.3Å; P151-F173 HydrophobicContact CG-CE2 3.81Å; P151-F173 HydrophobicContact CG-CZ 4.34Å; V163-F173 HydrophobicContact CG1-CZ 4.29Å; V163-F173 HydrophobicContact CG2-CE2 4.4Å; V163-F173 HydrophobicContact CG2-CZ 4.17Å; L166-F173 HydrophobicContact CB-CD1 3.76Å; L166-F173 HydrophobicContact CB-CE1 3.57Å; L166-F173 HydrophobicContact CB-CZ 4.46Å; L166-F173 HydrophobicContact CD1-CB 4.5Å; L166-F173 HydrophobicContact CD1-CD1 3.66Å; L166-F173 HydrophobicContact CD1-CD2 4.3Å; L166-F173 HydrophobicContact CD1-CE1 3.86Å; L166-F173 HydrophobicContact CD1-CE2 4.46Å; L166-F173 HydrophobicContact CD1-CG 3.9Å; L166-F173 HydrophobicContact CD1-CZ 4.26Å; L166-F173 HydrophobicContact CG-CD1 4.33Å; L166-F173 HydrophobicContact CG-CE1 4.39Å; I171-F173 WeakPolarHBondContact O-CD1 3.4Å | ||
| 174 | S | 94.6 | Very high | 90 | Very high | 66 Ų | 66 | 58.1 Ų | 58.1 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 158.7 | 162.7 | -73.3 | 0 | 0 | 0 | 0 | 109.1 | C143 M144 L145 | C143-S174 PolarHBondContact O-N 2.86Å; M144-S174 WeakPolarHBondContact CA-O 3.3Å; M144-S174 WeakPolarHBondContact SD-CB 3.3Å; L145-S174 PolarHBondContact N-O 3.08Å |
| 175 | S | 96.9 | Very high | 89.5 | Confident | 47 Ų | 47 | 59.3 Ų | 59.3 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.6 | -176.3 | 64 | 0 | 0 | 0 | 0 | 112.6 | L145 P151 | L145-S175 CarbonylContact O-C 3.53Å; L145-S175 WeakPolarHBondContact O-CA 3.48Å; P151-S175 WeakPolarHBondContact CD-OG 3.24Å; P151-S175 VanDerWaalsContact CG-OG 3.27Å; P151-S175 WeakPolarHBondContact CG-OG 3.27Å |
| 176 | F | 96.5 | Very high | 88.6 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 17% | 0.167 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.9 | 171.7 | -173.7 | -83.1 | 0 | 0 | 0 | 110.1 | L137 L145 F146 M147 I178 D181 V184 | L137-F176 HydrophobicContact CD1-CE2 4.26Å; L137-F176 HydrophobicContact CD1-CZ 4.44Å; L137-F176 HydrophobicContact CD2-CD2 3.9Å; L137-F176 HydrophobicContact CD2-CE2 3.82Å; L145-F176 PolarHBondContact O-N 3.39Å; F146-F176 HydrophobicContact CD1-CB 3.63Å; F146-F176 AromaticContact CD1-CD1 3.92Å; F146-F176 HydrophobicContact CD1-CD1 3.92Å; F146-F176 HydrophobicContact CD1-CG 4.02Å; F146-F176 HydrophobicContact CE1-CB 3.73Å; F146-F176 HydrophobicContact CE1-CD1 4.17Å; F146-F176 AromaticContact CE1-CG 3.97Å; F146-F176 HydrophobicContact CE1-CG 3.97Å; M147-F176 PolarHBondContact N-O 3.42Å; F176-I178 HydrophobicContact CD1-CG2 4.12Å; F176-I178 PolarHBondContact O-N 3.32Å; F176-D181 HydrophobicContact CE1-CB 4.21Å; F176-D181 HydrophobicContact CZ-CB 4.03Å; F176-V184 HydrophobicContact CD1-CG1 4.19Å; F176-V184 HydrophobicContact CE1-CB 4.15Å; F176-V184 HydrophobicContact CE1-CG1 3.66Å; F176-V184 HydrophobicContact CZ-CB 4.38Å; F176-V184 HydrophobicContact CZ-CG1 4.12Å; F176-V184 HydrophobicContact CZ-CG2 4.32Å |
| 177 | D | 95.9 | Very high | 88 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 104.7 | 175.9 | -175.9 | 4.4 | 0 | 0 | 0 | 110.4 | M147 G149 L179 S180 | M147-D177 WeakPolarHBondContact O-CA 3.46Å; G149-D177 VanDerWaalsContact N-CG 3.34Å; G149-D177 PolarHBondContact N-OD1 2.97Å; G149-D177 WeakPolarHBondContact O-CB 3.3Å; D177-L179 PolarHBondContact O-N 3.01Å; D177-L179 VanDerWaalsContact O-N 3.16Å; D177-L179 WeakPolarHBondContact OD1-CB 3.31Å; D177-L179 PolarHBondContact OD1-N 2.87Å; D177-S180 WeakPolarHBondContact O-CB 3.47Å; D177-S180 PolarHBondContact O-N 2.71Å; D177-S180 VanDerWaalsContact O-N 3.09Å; D177-S180 PolarHBondContact O-OG 2.97Å |
| 178 | I | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -10.7 | -179.7 | 63.1 | 58.4 | 0 | 0 | 0 | 113.5 | F146 M147 K148 F176 S180 R185 Y197 | F146-I178 HydrophobicContact CB-CG2 3.86Å; F146-I178 HydrophobicContact CD1-CG2 4.13Å; M147-I178 WeakPolarHBondContact O-CG1 3.41Å; M147-I178 PolarHBondContact O-N 3.48Å; K148-I178 HydrophobicContact CG-CD1 3.54Å; K148-I178 HydrophobicContact CG-CG1 4.32Å; F176-I178 HydrophobicContact CD1-CG2 4.12Å; F176-I178 PolarHBondContact O-N 3.32Å; I178-S180 VanDerWaalsContact C-N 3.28Å; I178-R185 HydrophobicContact CB-CB 4.12Å; I178-R185 HydrophobicContact CB-CG 4.09Å; I178-R185 HydrophobicContact CD1-CG 4.01Å; I178-R185 HydrophobicContact CG1-CG 4.27Å; I178-R185 WeakPolarHBondContact O-CB 3.41Å; I178-Y197 HydrophobicContact CB-CE1 4.44Å; I178-Y197 HydrophobicContact CB-CE2 4.49Å; I178-Y197 HydrophobicContact CD1-CD2 4.31Å; I178-Y197 HydrophobicContact CG1-CD1 4.08Å; I178-Y197 HydrophobicContact CG1-CD2 3.93Å; I178-Y197 HydrophobicContact CG1-CE1 4.24Å; I178-Y197 HydrophobicContact CG1-CE2 4.06Å; I178-Y197 HydrophobicContact CG1-CG 3.93Å; I178-Y197 HydrophobicContact CG2-CD1 4.19Å; I178-Y197 HydrophobicContact CG2-CE1 3.72Å |
| 179 | L | 83.4 | Confident | 87 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 37% | 0.372 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.2 | 174.4 | -60.6 | 178.7 | 0 | 0 | 0 | 112 | K148 R155 D177 | K148-L179 HydrophobicContact CB-CD1 4.02Å; K148-L179 HydrophobicContact CB-CG 4.21Å; K148-L179 HydrophobicContact CG-CD1 4.38Å; K148-L179 HydrophobicContact CG-CD2 4.16Å; K148-L179 HydrophobicContact CG-CG 4.17Å; R155-L179 HydrophobicContact CB-CD1 4.19Å; D177-L179 PolarHBondContact O-N 3.01Å; D177-L179 VanDerWaalsContact O-N 3.16Å; D177-L179 WeakPolarHBondContact OD1-CB 3.31Å; D177-L179 PolarHBondContact OD1-N 2.87Å |
| 180 | S | 88 | Confident | 86.4 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 62% | 0.622 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -79.9 | -19.2 | 178.5 | 71.8 | 0 | 0 | 0 | 0 | 113.2 | D177 I178 | D177-S180 WeakPolarHBondContact O-CB 3.47Å; D177-S180 PolarHBondContact O-N 2.71Å; D177-S180 VanDerWaalsContact O-N 3.09Å; D177-S180 PolarHBondContact O-OG 2.97Å; I178-S180 VanDerWaalsContact C-N 3.28Å |
| 181 | D | 84.6 | Confident | 86 | Confident | 28 Ų | 28 | 53.7 Ų | 53.7 | 15% | 0.15 | 28% | 0.282 | C | S | . | . | trans | -145 | 103.1 | -176.3 | -168.5 | -42.6 | 0 | 0 | 0 | 111.2 | R133 F176 E183 V184 R185 | R133-D181 IonicContact CZ-OD2 2.97Å; R133-D181 IonicContact NH1-OD1 2.8Å; R133-D181 IonicContact NH1-OD2 2.9Å; R133-D181 PolarHBondContact NH1-OD2 3.46Å; R133-D181 IonicContact NH2-OD2 2.91Å; R133-D181 PolarHBondContact NH2-OD2 2.94Å; F176-D181 HydrophobicContact CE1-CB 4.21Å; F176-D181 HydrophobicContact CZ-CB 4.03Å; D181-E183 VanDerWaalsContact C-N 3.33Å; D181-E183 PolarHBondContact O-N 3.19Å; D181-E183 PolarHBondContact OD1-N 3.45Å; D181-V184 HydrophobicContact CB-CB 4.04Å; D181-V184 HydrophobicContact CB-CG2 4.13Å; D181-V184 VanDerWaalsContact CG-CG2 3.5Å; D181-V184 PolarHBondContact OD1-N 3.1Å; D181-R185 VanDerWaalsContact O-CB 3.32Å; D181-R185 WeakPolarHBondContact O-CB 3.28Å; D181-R185 PolarHBondContact O-N 3.15Å | ||
| 182 | E | 77.8 | Confident | 85.4 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.6 | -27.2 | -177.6 | -168.7 | 60.4 | -149.4 | 0 | 0 | 112.6 | R185 Q186 | E182-R185 PolarHBondContact O-N 2.94Å; E182-R185 IonicContact OE1-NH1 2.82Å; E182-R185 VanDerWaalsContact OE2-CD 3.24Å; E182-R185 WeakPolarHBondContact OE2-CD 3.34Å; E182-R185 IonicContact OE2-CZ 2.88Å; E182-R185 IonicContact OE2-NE 3.16Å; E182-R185 IonicContact OE2-NH1 3.75Å; E182-R185 PolarHBondContact OE2-NH1 2.93Å; E182-Q186 WeakPolarHBondContact O-CG 3.39Å; E182-Q186 PolarHBondContact O-N 2.9Å; E182-Q186 PolarHBondContact OE1-NE2 3.12Å |
| 183 | E | 79 | Confident | 85.2 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.2 | -44.1 | 177.2 | -66.7 | -169.1 | 159.1 | 0 | 0 | 110.9 | K110 D181 R185 Q186 G187 | K110-E183 IonicContact NZ-OE1 3.69Å; K110-E183 PolarHBondContact NZ-OE1 3.43Å; D181-E183 VanDerWaalsContact C-N 3.33Å; D181-E183 PolarHBondContact O-N 3.19Å; D181-E183 PolarHBondContact OD1-N 3.45Å; E183-R185 VanDerWaalsContact C-N 3.29Å; E183-R185 PolarHBondContact O-N 2.88Å; E183-Q186 PolarHBondContact O-N 2.86Å; E183-G187 WeakPolarHBondContact O-CA 3.26Å; E183-G187 PolarHBondContact O-N 2.82Å |
| 184 | V | 87.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 172.3 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | L134 L137 F176 D181 L188 | L134-V184 HydrophobicContact CD2-CB 4.29Å; L134-V184 HydrophobicContact CD2-CG1 3.99Å; L134-V184 HydrophobicContact CD2-CG2 4.25Å; L137-V184 HydrophobicContact CD1-CB 4.41Å; L137-V184 HydrophobicContact CD1-CG1 3.81Å; L137-V184 HydrophobicContact CD1-CG2 3.62Å; F176-V184 HydrophobicContact CD1-CG1 4.19Å; F176-V184 HydrophobicContact CE1-CB 4.15Å; F176-V184 HydrophobicContact CE1-CG1 3.66Å; F176-V184 HydrophobicContact CZ-CB 4.38Å; F176-V184 HydrophobicContact CZ-CG1 4.12Å; F176-V184 HydrophobicContact CZ-CG2 4.32Å; D181-V184 HydrophobicContact CB-CB 4.04Å; D181-V184 HydrophobicContact CB-CG2 4.13Å; D181-V184 VanDerWaalsContact CG-CG2 3.5Å; D181-V184 PolarHBondContact OD1-N 3.1Å; V184-L188 HydrophobicContact CG1-CD1 3.65Å; V184-L188 HydrophobicContact CG1-CG 4.34Å; V184-L188 VanDerWaalsContact O-CB 3.32Å; V184-L188 WeakPolarHBondContact O-CB 3.21Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 2.79Å |
| 185 | R | 85.9 | Confident | 83.8 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 23% | 0.226 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 179.7 | -175.2 | -172.1 | 179.7 | -170 | -2.1 | 113.8 | I178 D181 E182 E183 Y197 | I178-R185 HydrophobicContact CB-CB 4.12Å; I178-R185 HydrophobicContact CB-CG 4.09Å; I178-R185 HydrophobicContact CD1-CG 4.01Å; I178-R185 HydrophobicContact CG1-CG 4.27Å; I178-R185 WeakPolarHBondContact O-CB 3.41Å; D181-R185 VanDerWaalsContact O-CB 3.32Å; D181-R185 WeakPolarHBondContact O-CB 3.28Å; D181-R185 PolarHBondContact O-N 3.15Å; E182-R185 PolarHBondContact O-N 2.94Å; E182-R185 IonicContact OE1-NH1 2.82Å; E182-R185 VanDerWaalsContact OE2-CD 3.24Å; E182-R185 WeakPolarHBondContact OE2-CD 3.34Å; E182-R185 IonicContact OE2-CZ 2.88Å; E182-R185 IonicContact OE2-NE 3.16Å; E182-R185 IonicContact OE2-NH1 3.75Å; E182-R185 PolarHBondContact OE2-NH1 2.93Å; E183-R185 VanDerWaalsContact C-N 3.29Å; E183-R185 PolarHBondContact O-N 2.88Å; R185-Y197 WeakPolarHBondContact CA-OH 3.24Å; R185-Y197 HydrophobicContact CG-CE2 3.74Å; R185-Y197 PolarHBondContact O-OH 3.35Å |
| 186 | Q | 77.3 | Confident | 83.3 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 39% | 0.393 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -81.7 | -37.5 | 178 | -61.5 | -58.3 | -24.9 | 0 | 0 | 111.1 | E182 E183 K189 T190 | E182-Q186 WeakPolarHBondContact O-CG 3.39Å; E182-Q186 PolarHBondContact O-N 2.9Å; E182-Q186 PolarHBondContact OE1-NE2 3.12Å; E183-Q186 PolarHBondContact O-N 2.86Å; Q186-K189 PolarHBondContact O-N 3.35Å; Q186-T190 PolarHBondContact O-N 2.87Å; Q186-T190 PolarHBondContact O-OG1 2.93Å |
| 187 | G | 80.6 | Confident | 83.1 | Confident | 11 Ų | 11 | 58 Ų | 58 | 11% | 0.113 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L134 E183 K189 T190 F191 | L134-G187 VanDerWaalsContact CD1-C 3.43Å; E183-G187 WeakPolarHBondContact O-CA 3.26Å; E183-G187 PolarHBondContact O-N 2.82Å; G187-K189 PolarHBondContact O-N 2.99Å; G187-T190 PolarHBondContact O-N 3.34Å; G187-T190 VanDerWaalsContact O-N 3.15Å; G187-F191 VanDerWaalsContact O-CB 3.31Å; G187-F191 WeakPolarHBondContact O-CB 3.17Å; G187-F191 PolarHBondContact O-N 2.8Å |
| 188 | L | 84.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | -179.1 | -88.5 | 165.3 | 0 | 0 | 0 | 113.6 | L134 I138 F146 V184 T190 F191 S192 Y197 Y201 | L134-L188 HydrophobicContact CD2-CD2 4.4Å; L134-L188 HydrophobicContact CD2-CG 3.86Å; I138-L188 HydrophobicContact CD1-CD2 3.75Å; I138-L188 HydrophobicContact CG1-CD2 3.89Å; F146-L188 HydrophobicContact CB-CD1 4.31Å; F146-L188 HydrophobicContact CD1-CD1 3.23Å; F146-L188 HydrophobicContact CD2-CD1 4.26Å; F146-L188 HydrophobicContact CE1-CD1 3.47Å; F146-L188 VanDerWaalsContact CE1-CD1 3.47Å; F146-L188 HydrophobicContact CE2-CD1 4.44Å; F146-L188 HydrophobicContact CG-CD1 3.68Å; F146-L188 HydrophobicContact CZ-CD1 4.07Å; V184-L188 HydrophobicContact CG1-CD1 3.65Å; V184-L188 HydrophobicContact CG1-CG 4.34Å; V184-L188 VanDerWaalsContact O-CB 3.32Å; V184-L188 WeakPolarHBondContact O-CB 3.21Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 2.79Å; L188-T190 PolarHBondContact O-N 3.36Å; L188-F191 PolarHBondContact O-N 3.16Å; L188-S192 PolarHBondContact O-N 3.23Å; L188-S192 PolarHBondContact O-OG 3.25Å; L188-Y197 WeakPolarHBondContact CB-OH 3.4Å; L188-Y201 HydrophobicContact CD2-CE2 4.43Å |
| 189 | K | 78.8 | Confident | 83.5 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 23% | 0.226 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.2 | -40 | 177 | -67 | 176 | -177.4 | 171.7 | 0 | 112.1 | Q186 G187 N193 W194 P195 Y197 | Q186-K189 PolarHBondContact O-N 3.35Å; G187-K189 PolarHBondContact O-N 2.99Å; K189-N193 CarbonylContact O-C 3.54Å; K189-N193 WeakPolarHBondContact O-CA 3.1Å; K189-N193 PolarHBondContact O-N 2.9Å; K189-N193 VanDerWaalsContact O-N 3.16Å; K189-W194 VanDerWaalsContact CA-O 3.23Å; K189-W194 WeakPolarHBondContact CA-O 3.31Å; K189-W194 WeakPolarHBondContact CB-O 3.04Å; K189-W194 WeakPolarHBondContact CG-O 3.35Å; K189-W194 PolarHBondContact O-N 2.86Å; K189-P195 WeakPolarHBondContact CE-O 3.34Å; K189-Y197 HydrophobicContact CG-CE2 4.03Å |
| 190 | T | 76 | Confident | 84.1 | Confident | 101 Ų | 101 | 52.9 Ų | 52.9 | 62% | 0.62 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -74.3 | -46.7 | 179.8 | -48.7 | 0 | 0 | 0 | 0 | 110.2 | Q186 G187 L188 S192 N193 | Q186-T190 PolarHBondContact O-N 2.87Å; Q186-T190 PolarHBondContact O-OG1 2.93Å; G187-T190 PolarHBondContact O-N 3.34Å; G187-T190 VanDerWaalsContact O-N 3.15Å; L188-T190 PolarHBondContact O-N 3.36Å; T190-S192 VanDerWaalsContact C-N 3.32Å; T190-S192 PolarHBondContact O-N 2.75Å; T190-N193 PolarHBondContact O-N 3.1Å |
| 191 | F | 76.9 | Confident | 84.5 | Confident | 79 Ų | 79 | 48.9 Ų | 48.9 | 35% | 0.346 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | -178.9 | -177 | -90.4 | 0 | 0 | 0 | 112.8 | N131 L134 K135 I138 G187 L188 | N131-F191 HydrophobicContact CB-CE2 4.47Å; L134-F191 HydrophobicContact CD1-CB 3.8Å; L134-F191 HydrophobicContact CD1-CD2 4.3Å; L134-F191 HydrophobicContact CD1-CG 4.16Å; K135-F191 HydrophobicContact CG-CE2 4.12Å; K135-F191 HydrophobicContact CG-CZ 3.78Å; I138-F191 HydrophobicContact CD1-CD1 3.8Å; I138-F191 HydrophobicContact CD1-CE1 3.58Å; I138-F191 HydrophobicContact CD1-CZ 4.47Å; G187-F191 VanDerWaalsContact O-CB 3.31Å; G187-F191 WeakPolarHBondContact O-CB 3.17Å; G187-F191 PolarHBondContact O-N 2.8Å; L188-F191 PolarHBondContact O-N 3.16Å |
| 192 | S | 76.8 | Confident | 84.8 | Confident | 24 Ų | 24 | 48 Ų | 48 | 17% | 0.168 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 2.5 | -178.1 | 69.2 | 0 | 0 | 0 | 0 | 114.3 | L188 T190 W194 Q199 Y201 | L188-S192 PolarHBondContact O-N 3.23Å; L188-S192 PolarHBondContact O-OG 3.25Å; T190-S192 VanDerWaalsContact C-N 3.32Å; T190-S192 PolarHBondContact O-N 2.75Å; S192-W194 PolarHBondContact O-N 2.96Å; S192-W194 WeakPolarHBondContact OG-CB 3.27Å; S192-Q199 PolarHBondContact OG-OE1 3.34Å; S192-Y201 WeakPolarHBondContact CB-OH 3.3Å; S192-Y201 PolarHBondContact OG-OH 3.19Å; S192-Y201 VanDerWaalsContact OG-OH 3.1Å |
| 193 | N | 82.6 | Confident | 85.2 | Confident | 149 Ų | 149 | 49.2 Ų | 49.2 | 80% | 0.797 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 39.8 | -172.3 | -168 | 33.9 | 0 | 0 | 0 | 112.5 | K189 T190 | K189-N193 CarbonylContact O-C 3.54Å; K189-N193 WeakPolarHBondContact O-CA 3.1Å; K189-N193 PolarHBondContact O-N 2.9Å; K189-N193 VanDerWaalsContact O-N 3.16Å; T190-N193 PolarHBondContact O-N 3.1Å |
| 194 | W | 79.1 | Confident | 85.5 | Confident | 49 Ų | 49 | 45.4 Ų | 45.4 | 19% | 0.186 | 25% | 0.247 | C | C | . | . | trans | -124.2 | 120.3 | -175.3 | -166 | -84 | 0 | 0 | 0 | 112.1 | K189 S192 T196 Q199 L206 G209 I212 | K189-W194 VanDerWaalsContact CA-O 3.23Å; K189-W194 WeakPolarHBondContact CA-O 3.31Å; K189-W194 WeakPolarHBondContact CB-O 3.04Å; K189-W194 WeakPolarHBondContact CG-O 3.35Å; K189-W194 PolarHBondContact O-N 2.86Å; S192-W194 PolarHBondContact O-N 2.96Å; S192-W194 WeakPolarHBondContact OG-CB 3.27Å; W194-T196 VanDerWaalsContact CD1-O 3.26Å; W194-T196 PolarHBondContact NE1-OG1 3.44Å; W194-T196 PolarHBondContact O-N 3.07Å; W194-Q199 HydrophobicContact CG-CG 4.41Å; W194-Q199 PolarHBondContact O-NE2 3.46Å; W194-L206 HydrophobicContact CB-CD2 3.91Å; W194-L206 HydrophobicContact CD2-CD2 3.98Å; W194-L206 HydrophobicContact CE3-CD2 3.64Å; W194-L206 HydrophobicContact CG-CD2 4.11Å; W194-G209 VanDerWaalsContact CZ2-N 3.27Å; W194-I212 HydrophobicContact CH2-CD1 3.34Å; W194-I212 HydrophobicContact CH2-CG1 4.09Å; W194-I212 HydrophobicContact CZ2-CD1 4.35Å; W194-I212 HydrophobicContact CZ3-CD1 3.81Å | ||
| 195 | P | 79.4 | Confident | 85.6 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 62% | 0.623 | 28% | 0.281 | S | S | * | . | trans | -78.5 | -21.3 | -164.8 | 27.1 | -33.5 | 0 | 0 | 0 | 115 | K189 | K189-P195 WeakPolarHBondContact CE-O 3.34Š| ||
| 196 | T | 85.7 | Confident | 85.9 | Confident | 76 Ų | 76 | 52.4 Ų | 52.4 | 47% | 0.466 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -124.1 | 171.4 | -165.1 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | W194 Q199 | W194-T196 VanDerWaalsContact CD1-O 3.26Å; W194-T196 PolarHBondContact NE1-OG1 3.44Å; W194-T196 PolarHBondContact O-N 3.07Å; T196-Q199 WeakPolarHBondContact O-CG 3.27Å; T196-Q199 PolarHBondContact O-NE2 3.12Å |
| 197 | Y | 93.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -129.1 | 148.2 | 170.7 | -72.9 | -74.4 | 0 | 0 | 0 | 109.1 | F146 I178 R185 L188 K189 Q199 | F146-Y197 HydrophobicContact CB-CD1 4.13Å; F146-Y197 HydrophobicContact CB-CE1 3.84Å; I178-Y197 HydrophobicContact CB-CE1 4.44Å; I178-Y197 HydrophobicContact CB-CE2 4.49Å; I178-Y197 HydrophobicContact CD1-CD2 4.31Å; I178-Y197 HydrophobicContact CG1-CD1 4.08Å; I178-Y197 HydrophobicContact CG1-CD2 3.93Å; I178-Y197 HydrophobicContact CG1-CE1 4.24Å; I178-Y197 HydrophobicContact CG1-CE2 4.06Å; I178-Y197 HydrophobicContact CG1-CG 3.93Å; I178-Y197 HydrophobicContact CG2-CD1 4.19Å; I178-Y197 HydrophobicContact CG2-CE1 3.72Å; R185-Y197 WeakPolarHBondContact CA-OH 3.24Å; R185-Y197 HydrophobicContact CG-CE2 3.74Å; R185-Y197 PolarHBondContact O-OH 3.35Å; L188-Y197 WeakPolarHBondContact CB-OH 3.4Å; K189-Y197 HydrophobicContact CG-CE2 4.03Å; Y197-Q199 HydrophobicContact CD1-CB 4.27Å; Y197-Q199 HydrophobicContact CD1-CG 3.77Å; Y197-Q199 HydrophobicContact CE1-CB 4.37Å; Y197-Q199 HydrophobicContact CE1-CG 3.88Å |
| 198 | P | 97.5 | Very high | 87.2 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | cis | -73.5 | 156 | 8.8 | 30.4 | -36.1 | 0 | 0 | 0 | 114.5 | L145 F146 M147 F158 I162 G209 L210 | L145-P198 HydrophobicContact CD1-CB 3.93Å; F146-P198 CarbonylContact O-C 3.55Å; F146-P198 VanDerWaalsContact O-CA 3.25Å; F146-P198 WeakPolarHBondContact O-CA 3.3Å; M147-P198 HydrophobicContact CB-CB 4.38Å; F158-P198 HydrophobicContact CB-CG 4.43Å; I162-P198 HydrophobicContact CB-CG 4.01Å; I162-P198 HydrophobicContact CD1-CB 4.18Å; I162-P198 HydrophobicContact CD1-CG 3.94Å; I162-P198 HydrophobicContact CG2-CB 3.8Å; I162-P198 HydrophobicContact CG2-CG 3.6Å; P198-G209 WeakPolarHBondContact O-CA 3.44Å; P198-L210 HydrophobicContact CG-CB 4.32Å | ||
| 199 | Q | 97.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.5 | 171.2 | -62.8 | -178.5 | 11.2 | 0 | 0 | 109.4 | F146 S192 W194 T196 Y197 Y201 L206 | F146-Q199 HydrophobicContact CB-CB 4.44Å; F146-Q199 PolarHBondContact N-O 3.31Å; F146-Q199 PolarHBondContact O-N 2.93Å; S192-Q199 PolarHBondContact OG-OE1 3.34Å; W194-Q199 HydrophobicContact CG-CG 4.41Å; W194-Q199 PolarHBondContact O-NE2 3.46Å; T196-Q199 WeakPolarHBondContact O-CG 3.27Å; T196-Q199 PolarHBondContact O-NE2 3.12Å; Y197-Q199 HydrophobicContact CD1-CB 4.27Å; Y197-Q199 HydrophobicContact CD1-CG 3.77Å; Y197-Q199 HydrophobicContact CE1-CB 4.37Å; Y197-Q199 HydrophobicContact CE1-CG 3.88Å; Q199-Y201 HydrophobicContact CB-CD2 4.4Å; Q199-Y201 HydrophobicContact CB-CE2 3.72Å; Q199-Y201 PolarHBondContact OE1-OH 3.46Å; Q199-L206 HydrophobicContact CB-CD1 4.14Å |
| 200 | L | 97.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.4 | 176.7 | -173.2 | 67.9 | 0 | 0 | 0 | 110.1 | L145 I162 L166 V207 G208 V213 | L145-L200 HydrophobicContact CB-CD1 4.22Å; L145-L200 HydrophobicContact CD1-CD1 4.25Å; I162-L200 HydrophobicContact CD1-CB 4.39Å; L166-L200 HydrophobicContact CD1-CD1 3.93Å; L166-L200 HydrophobicContact CD2-CD2 4Å; L200-V207 HydrophobicContact CB-CB 4.44Å; L200-V207 HydrophobicContact CD2-CB 4.44Å; L200-V207 HydrophobicContact CD2-CG1 4.45Å; L200-V207 HydrophobicContact CG-CB 4.48Å; L200-V207 WeakPolarHBondContact O-CB 3.41Å; L200-V207 PolarHBondContact O-N 2.97Å; L200-G208 PolarHBondContact N-O 3.25Å; L200-G208 PolarHBondContact O-N 3.35Å; L200-V213 HydrophobicContact CB-CG2 4.11Å; L200-V213 HydrophobicContact CD2-CG1 4.27Å; L200-V213 HydrophobicContact CD2-CG2 3.66Å |
| 201 | Y | 95.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.4 | 174.5 | -66.9 | -105.9 | 0 | 0 | 0 | 110.3 | I138 C143 M144 F146 L188 S192 Q199 E205 L206 | I138-Y201 HydrophobicContact CB-CD1 4.44Å; I138-Y201 HydrophobicContact CD1-CD1 4.26Å; I138-Y201 HydrophobicContact CD1-CE1 3.83Å; I138-Y201 HydrophobicContact CG1-CD1 4.19Å; I138-Y201 HydrophobicContact CG1-CE1 4.13Å; I138-Y201 HydrophobicContact CG1-CG 4.5Å; I138-Y201 HydrophobicContact CG2-CD1 3.37Å; I138-Y201 HydrophobicContact CG2-CE1 4.06Å; I138-Y201 HydrophobicContact CG2-CG 3.7Å; C143-Y201 CarbonylContact C-O 3.53Å; C143-Y201 VanDerWaalsContact CA-O 3.3Å; C143-Y201 WeakPolarHBondContact CA-O 3.48Å; M144-Y201 PolarHBondContact N-O 3.05Å; M144-Y201 PolarHBondContact O-N 3.05Å; F146-Y201 AromaticContact CD2-CD2 3.6Å; F146-Y201 HydrophobicContact CD2-CD2 3.6Å; F146-Y201 AromaticContact CD2-CE2 3.69Å; F146-Y201 HydrophobicContact CD2-CE2 3.69Å; F146-Y201 AromaticContact CE2-CD2 3.72Å; F146-Y201 HydrophobicContact CE2-CD2 3.72Å; F146-Y201 AromaticContact CE2-CE2 3.98Å; F146-Y201 HydrophobicContact CE2-CE2 3.98Å; F146-Y201 HydrophobicContact CE2-CG 4.45Å; L188-Y201 HydrophobicContact CD2-CE2 4.43Å; S192-Y201 WeakPolarHBondContact CB-OH 3.3Å; S192-Y201 PolarHBondContact OG-OH 3.19Å; S192-Y201 VanDerWaalsContact OG-OH 3.1Å; Q199-Y201 HydrophobicContact CB-CD2 4.4Å; Q199-Y201 HydrophobicContact CB-CE2 3.72Å; Q199-Y201 PolarHBondContact OE1-OH 3.46Å; Y201-E205 CarbonylContact C-O 3.55Å; Y201-E205 WeakPolarHBondContact CA-O 3.47Å; Y201-E205 WeakPolarHBondContact CB-O 3.44Å; Y201-L206 HydrophobicContact CD1-CB 4.05Å; Y201-L206 HydrophobicContact CD1-CD1 4.47Å; Y201-L206 HydrophobicContact CD2-CD1 4.27Å; Y201-L206 HydrophobicContact CE1-CB 3.73Å; Y201-L206 HydrophobicContact CE1-CD1 4.04Å; Y201-L206 HydrophobicContact CE1-CG 4.48Å; Y201-L206 HydrophobicContact CE2-CD1 3.81Å |
| 202 | V | 91.4 | Very high | 89.9 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.3 | 172.2 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | P142 C143 G204 E205 V207 T225 C226 | P142-V202 CarbonylContact O-C 3.51Å; P142-V202 VanDerWaalsContact O-CA 3.32Å; P142-V202 WeakPolarHBondContact O-CA 3.45Å; P142-V202 WeakPolarHBondContact O-CG1 3.36Å; C143-V202 HydrophobicContact CB-CG2 4.37Å; V202-G204 PolarHBondContact O-N 3.08Å; V202-G204 VanDerWaalsContact O-N 3.12Å; V202-E205 PolarHBondContact N-O 2.92Å; V202-E205 PolarHBondContact O-N 3.27Å; V202-V207 HydrophobicContact CB-CG2 3.93Å; V202-V207 HydrophobicContact CG2-CG2 3.68Å; V202-T225 VanDerWaalsContact CG1-O 3.3Å; V202-T225 WeakPolarHBondContact CG1-O 3.46Å; V202-C226 HydrophobicContact CG2-CB 4.38Å |
| 203 | N | 86.1 | Confident | 90.8 | Very high | 121 Ų | 121 | 45 Ų | 45 | 65% | 0.647 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 37.6 | 179.7 | -60 | -38.5 | 0 | 0 | 0 | 114.5 | P142 | P142-N203 PolarHBondContact O-N 3.45Š|
| 204 | G | 85.3 | Confident | 91.4 | Very high | 24 Ų | 24 | 41.6 Ų | 41.6 | 25% | 0.247 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -13.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | I138 N139 V202 | I138-G204 WeakPolarHBondContact CG2-O 3.15Å; N139-G204 WeakPolarHBondContact OD1-CA 3.47Å; V202-G204 PolarHBondContact O-N 3.08Å; V202-G204 VanDerWaalsContact O-N 3.12Å |
| 205 | E | 88.9 | Confident | 92.2 | Very high | 151 Ų | 151 | 45.7 Ų | 45.7 | 71% | 0.706 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 143 | -171.4 | -61 | -171.3 | 159.1 | 0 | 0 | 111.9 | Y201 V202 V207 | Y201-E205 CarbonylContact C-O 3.55Å; Y201-E205 WeakPolarHBondContact CA-O 3.47Å; Y201-E205 WeakPolarHBondContact CB-O 3.44Å; V202-E205 PolarHBondContact N-O 2.92Å; V202-E205 PolarHBondContact O-N 3.27Å; E205-V207 PolarHBondContact O-N 3.41Å |
| 206 | L | 92.4 | Very high | 92.9 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 119.8 | 177.2 | 177.1 | 70.1 | 0 | 0 | 0 | 109.4 | W194 Q199 Y201 | W194-L206 HydrophobicContact CB-CD2 3.91Å; W194-L206 HydrophobicContact CD2-CD2 3.98Å; W194-L206 HydrophobicContact CE3-CD2 3.64Å; W194-L206 HydrophobicContact CG-CD2 4.11Å; Q199-L206 HydrophobicContact CB-CD1 4.14Å; Y201-L206 HydrophobicContact CD1-CB 4.05Å; Y201-L206 HydrophobicContact CD1-CD1 4.47Å; Y201-L206 HydrophobicContact CD2-CD1 4.27Å; Y201-L206 HydrophobicContact CE1-CB 3.73Å; Y201-L206 HydrophobicContact CE1-CD1 4.04Å; Y201-L206 HydrophobicContact CE1-CG 4.48Å; Y201-L206 HydrophobicContact CE2-CD1 3.81Å |
| 207 | V | 94.1 | Very high | 93.2 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -46.2 | 168.4 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | L200 V202 E205 V213 L216 T225 | L200-V207 HydrophobicContact CB-CB 4.44Å; L200-V207 HydrophobicContact CD2-CB 4.44Å; L200-V207 HydrophobicContact CD2-CG1 4.45Å; L200-V207 HydrophobicContact CG-CB 4.48Å; L200-V207 WeakPolarHBondContact O-CB 3.41Å; L200-V207 PolarHBondContact O-N 2.97Å; V202-V207 HydrophobicContact CB-CG2 3.93Å; V202-V207 HydrophobicContact CG2-CG2 3.68Å; E205-V207 PolarHBondContact O-N 3.41Å; V207-V213 HydrophobicContact CG1-CG2 4.41Å; V207-L216 HydrophobicContact CG1-CD1 3.46Å; V207-L216 VanDerWaalsContact CG1-CD1 3.46Å; V207-T225 HydrophobicContact CG1-CG2 4.2Å; V207-T225 HydrophobicContact CG2-CG2 3.93Å |
| 208 | G | 91.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | -164.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L200 | L200-G208 PolarHBondContact N-O 3.25Å; L200-G208 PolarHBondContact O-N 3.35Å |
| 209 | G | 92.9 | Very high | 93 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -87.2 | -171.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | W194 P198 D211 I212 V213 | W194-G209 VanDerWaalsContact CZ2-N 3.27Å; P198-G209 WeakPolarHBondContact O-CA 3.44Å; G209-D211 VanDerWaalsContact C-N 3.3Å; G209-D211 PolarHBondContact O-N 3.05Å; G209-I212 PolarHBondContact O-N 2.9Å; G209-V213 VanDerWaalsContact O-CG2 3.24Å; G209-V213 WeakPolarHBondContact O-CG2 3.39Å; G209-V213 PolarHBondContact O-N 3.35Å; G209-V213 VanDerWaalsContact O-N 3.07Å |
| 210 | L | 95.8 | Very high | 92.4 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.3 | -39.6 | -179.3 | 174.1 | 68.2 | 0 | 0 | 0 | 113.3 | F158 Q161 I162 P198 V213 K214 | F158-L210 HydrophobicContact CB-CD2 4.24Å; F158-L210 HydrophobicContact CD1-CD2 3.73Å; F158-L210 HydrophobicContact CG-CD2 4.5Å; Q161-L210 HydrophobicContact CB-CD1 3.94Å; Q161-L210 HydrophobicContact CB-CD2 3.77Å; Q161-L210 VanDerWaalsContact OE1-CD2 3.25Å; I162-L210 HydrophobicContact CB-CD1 3.72Å; I162-L210 HydrophobicContact CG1-CD1 4.28Å; P198-L210 HydrophobicContact CG-CB 4.32Å; L210-V213 PolarHBondContact O-N 3.05Å; L210-K214 HydrophobicContact CD1-CD 4.34Å; L210-K214 HydrophobicContact CD1-CG 4.18Å; L210-K214 HydrophobicContact CG-CD 4.15Å; L210-K214 HydrophobicContact CG-CG 4.39Å; L210-K214 WeakPolarHBondContact O-CB 3.35Å; L210-K214 VanDerWaalsContact O-CG 3.3Å; L210-K214 WeakPolarHBondContact O-CG 3.3Å; L210-K214 PolarHBondContact O-N 2.8Å |
| 211 | D | 91.9 | Very high | 92 | Very high | 104 Ų | 104 | 56.6 Ų | 56.6 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.3 | -52.2 | 179.3 | 50.8 | -22.6 | 0 | 0 | 0 | 111.9 | G209 V213 K214 E215 | G209-D211 VanDerWaalsContact C-N 3.3Å; G209-D211 PolarHBondContact O-N 3.05Å; D211-V213 VanDerWaalsContact C-N 3.35Å; D211-V213 PolarHBondContact O-N 3.44Å; D211-K214 WeakPolarHBondContact O-CB 3.43Å; D211-K214 PolarHBondContact O-N 2.78Å; D211-E215 PolarHBondContact O-N 2.87Å; D211-E215 VanDerWaalsContact O-N 3.08Å |
| 212 | I | 92.2 | Very high | 91.6 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 26% | 0.256 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 176.3 | -62.8 | -172.7 | 0 | 0 | 0 | 110.7 | W194 G209 K214 E215 L216 | W194-I212 HydrophobicContact CH2-CD1 3.34Å; W194-I212 HydrophobicContact CH2-CG1 4.09Å; W194-I212 HydrophobicContact CZ2-CD1 4.35Å; W194-I212 HydrophobicContact CZ3-CD1 3.81Å; G209-I212 PolarHBondContact O-N 2.9Å; I212-K214 VanDerWaalsContact C-N 3.26Å; I212-K214 PolarHBondContact O-N 3.45Å; I212-E215 PolarHBondContact O-N 2.77Å; I212-E215 VanDerWaalsContact O-N 3.15Å; I212-L216 HydrophobicContact CG2-CD1 4.02Å; I212-L216 HydrophobicContact CG2-CG 4.26Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 2.89Å |
| 213 | V | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.6 | -33 | -178.8 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | I162 L165 L166 L200 V207 G209 L210 D211 A217 L222 | I162-V213 HydrophobicContact CD1-CB 4.31Å; I162-V213 HydrophobicContact CD1-CG1 4.42Å; I162-V213 HydrophobicContact CD1-CG2 4.07Å; I162-V213 HydrophobicContact CG1-CG1 4.26Å; L165-V213 HydrophobicContact CD2-CB 4.47Å; L165-V213 HydrophobicContact CD2-CG1 3.74Å; L166-V213 HydrophobicContact CD2-CG1 4.28Å; L200-V213 HydrophobicContact CB-CG2 4.11Å; L200-V213 HydrophobicContact CD2-CG1 4.27Å; L200-V213 HydrophobicContact CD2-CG2 3.66Å; V207-V213 HydrophobicContact CG1-CG2 4.41Å; G209-V213 VanDerWaalsContact O-CG2 3.24Å; G209-V213 WeakPolarHBondContact O-CG2 3.39Å; G209-V213 PolarHBondContact O-N 3.35Å; G209-V213 VanDerWaalsContact O-N 3.07Å; L210-V213 PolarHBondContact O-N 3.05Å; D211-V213 VanDerWaalsContact C-N 3.35Å; D211-V213 PolarHBondContact O-N 3.44Å; V213-A217 WeakPolarHBondContact O-CB 3.42Å; V213-A217 PolarHBondContact O-N 2.97Å; V213-L222 HydrophobicContact CG1-CD1 3.81Å; V213-L222 HydrophobicContact CG1-CD2 3.89Å |
| 214 | K | 96.3 | Very high | 91.1 | Very high | 78 Ų | 78 | 60.2 Ų | 60.2 | 34% | 0.339 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 171.5 | -78.9 | 175.8 | 175.4 | -175 | 0 | 112.2 | L165 L210 D211 I212 L216 A217 E218 | L165-K214 HydrophobicContact CD2-CB 4.46Å; L165-K214 HydrophobicContact CD2-CG 3.84Å; L210-K214 HydrophobicContact CD1-CD 4.34Å; L210-K214 HydrophobicContact CD1-CG 4.18Å; L210-K214 HydrophobicContact CG-CD 4.15Å; L210-K214 HydrophobicContact CG-CG 4.39Å; L210-K214 WeakPolarHBondContact O-CB 3.35Å; L210-K214 VanDerWaalsContact O-CG 3.3Å; L210-K214 WeakPolarHBondContact O-CG 3.3Å; L210-K214 PolarHBondContact O-N 2.8Å; D211-K214 WeakPolarHBondContact O-CB 3.43Å; D211-K214 PolarHBondContact O-N 2.78Å; I212-K214 VanDerWaalsContact C-N 3.26Å; I212-K214 PolarHBondContact O-N 3.45Å; K214-L216 VanDerWaalsContact C-N 3.32Å; K214-L216 PolarHBondContact O-N 2.91Å; K214-A217 WeakPolarHBondContact O-CB 3.32Å; K214-A217 PolarHBondContact O-N 3.04Å; K214-A217 VanDerWaalsContact O-N 3.1Å; K214-E218 WeakPolarHBondContact O-CG 3.49Å; K214-E218 PolarHBondContact O-N 3.11Å |
| 215 | E | 95.4 | Very high | 91 | Very high | 134 Ų | 134 | 61.6 Ų | 61.6 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.2 | -42.1 | 177.6 | -175.3 | 177.2 | -175.8 | 0 | 0 | 111.7 | D211 I212 A217 E218 S219 | D211-E215 PolarHBondContact O-N 2.87Å; D211-E215 VanDerWaalsContact O-N 3.08Å; I212-E215 PolarHBondContact O-N 2.77Å; I212-E215 VanDerWaalsContact O-N 3.15Å; E215-A217 VanDerWaalsContact C-N 3.3Å; E215-A217 PolarHBondContact O-N 3.41Å; E215-E218 PolarHBondContact O-N 3.47Å; E215-S219 WeakPolarHBondContact O-CB 3.19Å; E215-S219 PolarHBondContact O-N 2.75Å; E215-S219 PolarHBondContact O-OG 2.76Å |
| 216 | L | 93.6 | Very high | 90.7 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 173.6 | -69 | 174.9 | 0 | 0 | 0 | 112.1 | V207 I212 K214 S219 G220 E221 L222 | V207-L216 HydrophobicContact CG1-CD1 3.46Å; V207-L216 VanDerWaalsContact CG1-CD1 3.46Å; I212-L216 HydrophobicContact CG2-CD1 4.02Å; I212-L216 HydrophobicContact CG2-CG 4.26Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 2.89Å; K214-L216 VanDerWaalsContact C-N 3.32Å; K214-L216 PolarHBondContact O-N 2.91Å; L216-S219 WeakPolarHBondContact CA-OG 3.33Å; L216-S219 PolarHBondContact O-OG 2.85Å; L216-S219 VanDerWaalsContact O-OG 3.09Å; L216-G220 CarbonylContact O-C 3.1Å; L216-G220 PolarHBondContact O-N 2.88Å; L216-G220 VanDerWaalsContact O-N 3.15Å; L216-E221 HydrophobicContact CD2-CB 3.89Å; L216-E221 PolarHBondContact O-N 2.69Å; L216-L222 HydrophobicContact CB-CB 3.77Å; L216-L222 HydrophobicContact CB-CD1 4.03Å; L216-L222 HydrophobicContact CB-CG 4.46Å; L216-L222 HydrophobicContact CD1-CD1 4.25Å; L216-L222 WeakPolarHBondContact O-CB 3.44Å; L216-L222 PolarHBondContact O-N 2.82Å |
| 217 | A | 91.8 | Very high | 89.7 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.3 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L165 V213 K214 E215 S219 G220 L222 | L165-A217 HydrophobicContact CD1-CB 3.8Å; L165-A217 HydrophobicContact CD2-CB 4.16Å; L165-A217 HydrophobicContact CG-CB 4.24Å; V213-A217 WeakPolarHBondContact O-CB 3.42Å; V213-A217 PolarHBondContact O-N 2.97Å; K214-A217 WeakPolarHBondContact O-CB 3.32Å; K214-A217 PolarHBondContact O-N 3.04Å; K214-A217 VanDerWaalsContact O-N 3.1Å; E215-A217 VanDerWaalsContact C-N 3.3Å; E215-A217 PolarHBondContact O-N 3.41Å; A217-S219 VanDerWaalsContact C-N 3.33Å; A217-S219 PolarHBondContact O-N 3.39Å; A217-G220 PolarHBondContact O-N 2.65Å; A217-G220 VanDerWaalsContact O-N 3.14Å; A217-L222 HydrophobicContact CB-CB 4.44Å; A217-L222 HydrophobicContact CB-CD2 3.86Å |
| 218 | E | 93 | Very high | 88.4 | Confident | 167 Ų | 167 | 57.7 Ų | 57.7 | 78% | 0.78 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.4 | -35.2 | 179.5 | -72.3 | 173.1 | -170.3 | 0 | 0 | 112.4 | K214 E215 G220 | K214-E218 WeakPolarHBondContact O-CG 3.49Å; K214-E218 PolarHBondContact O-N 3.11Å; E215-E218 PolarHBondContact O-N 3.47Å; E218-G220 VanDerWaalsContact C-N 3.34Å |
| 219 | S | 92.9 | Very high | 86.9 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -79.5 | -13.2 | 174 | 55.5 | 0 | 0 | 0 | 0 | 114 | E215 L216 A217 E221 | E215-S219 WeakPolarHBondContact O-CB 3.19Å; E215-S219 PolarHBondContact O-N 2.75Å; E215-S219 PolarHBondContact O-OG 2.76Å; L216-S219 WeakPolarHBondContact CA-OG 3.33Å; L216-S219 PolarHBondContact O-OG 2.85Å; L216-S219 VanDerWaalsContact O-OG 3.09Å; A217-S219 VanDerWaalsContact C-N 3.33Å; A217-S219 PolarHBondContact O-N 3.39Å; S219-E221 PolarHBondContact O-N 2.8Å |
| 220 | G | 86.6 | Confident | 85.6 | Confident | 36 Ų | 36 | 63.4 Ų | 63.4 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 2.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L216 A217 E218 L222 | L216-G220 CarbonylContact O-C 3.1Å; L216-G220 PolarHBondContact O-N 2.88Å; L216-G220 VanDerWaalsContact O-N 3.15Å; A217-G220 PolarHBondContact O-N 2.65Å; A217-G220 VanDerWaalsContact O-N 3.14Å; E218-G220 VanDerWaalsContact C-N 3.34Å; G220-L222 VanDerWaalsContact C-N 3.34Å |
| 221 | E | 88.4 | Confident | 84.7 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | trans | -76.8 | -20.1 | 179.9 | -67 | -175.8 | -157.5 | 0 | 0 | 113.3 | L216 S219 E223 N224 T225 | L216-E221 HydrophobicContact CD2-CB 3.89Å; L216-E221 PolarHBondContact O-N 2.69Å; S219-E221 PolarHBondContact O-N 2.8Å; E221-E223 PolarHBondContact O-N 3.23Å; E221-N224 PolarHBondContact O-N 2.91Å; E221-T225 PolarHBondContact O-N 2.9Å; E221-T225 PolarHBondContact O-OG1 3.18Å | ||
| 222 | L | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -37 | -178.8 | -174 | 63.3 | 0 | 0 | 0 | 112 | L166 I171 V213 L216 A217 G220 N224 T225 C226 | L166-L222 HydrophobicContact CD2-CD2 4.48Å; I171-L222 HydrophobicContact CD1-CD1 4.3Å; I171-L222 HydrophobicContact CD1-CD2 3.57Å; I171-L222 HydrophobicContact CD1-CG 3.53Å; V213-L222 HydrophobicContact CG1-CD1 3.81Å; V213-L222 HydrophobicContact CG1-CD2 3.89Å; L216-L222 HydrophobicContact CB-CB 3.77Å; L216-L222 HydrophobicContact CB-CD1 4.03Å; L216-L222 HydrophobicContact CB-CG 4.46Å; L216-L222 HydrophobicContact CD1-CD1 4.25Å; L216-L222 WeakPolarHBondContact O-CB 3.44Å; L216-L222 PolarHBondContact O-N 2.82Å; A217-L222 HydrophobicContact CB-CB 4.44Å; A217-L222 HydrophobicContact CB-CD2 3.86Å; G220-L222 VanDerWaalsContact C-N 3.34Å; L222-N224 VanDerWaalsContact C-N 3.31Å; L222-N224 PolarHBondContact O-N 3.48Å; L222-T225 PolarHBondContact O-N 2.83Å; L222-C226 WeakPolarHBondContact O-CB 3.47Å; L222-C226 PolarHBondContact O-N 3.15Å |
| 223 | E | 83 | Confident | 83.8 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.1 | -27.6 | 178.7 | -75.5 | -171.5 | -158.8 | 0 | 0 | 114.1 | H169 E221 K228 | H169-E223 IonicContact ND1-OE1 3.94Å; E221-E223 PolarHBondContact O-N 3.23Å; E223-K228 WeakPolarHBondContact O-CE 3.41Å; E223-K228 WeakPolarHBondContact OE2-CE 3.45Å; E223-K228 IonicContact OE2-NZ 3.44Å; E223-K228 PolarHBondContact OE2-NZ 3.45Å |
| 224 | N | 82.4 | Confident | 83.3 | Confident | 138 Ų | 138 | 70 Ų | 70 | 74% | 0.738 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -84.1 | -29.8 | 175.2 | -62.2 | -36.5 | 0 | 0 | 0 | 110.8 | E221 L222 | E221-N224 PolarHBondContact O-N 2.91Å; L222-N224 VanDerWaalsContact C-N 3.31Å; L222-N224 PolarHBondContact O-N 3.48Å |
| 225 | T | 83.3 | Confident | 82.9 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 33% | 0.325 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -77.8 | -39.8 | -178.7 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | V202 V207 E221 L222 | V202-T225 VanDerWaalsContact CG1-O 3.3Å; V202-T225 WeakPolarHBondContact CG1-O 3.46Å; V207-T225 HydrophobicContact CG1-CG2 4.2Å; V207-T225 HydrophobicContact CG2-CG2 3.93Å; E221-T225 PolarHBondContact O-N 2.9Å; E221-T225 PolarHBondContact O-OG1 3.18Å; L222-T225 PolarHBondContact O-N 2.83Å |
| 226 | C | 83.9 | Confident | 82.9 | Confident | 6 Ų | 6 | 64.1 Ų | 64.1 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -100.5 | 147 | -174.7 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | I171 V202 L222 K228 | I171-C226 HydrophobicContact CB-CB 4.43Å; I171-C226 HydrophobicContact CD1-CB 3.98Å; I171-C226 HydrophobicContact CG1-CB 4.02Å; I171-C226 HydrophobicContact CG2-CB 3.54Å; V202-C226 HydrophobicContact CG2-CB 4.38Å; L222-C226 WeakPolarHBondContact O-CB 3.47Å; L222-C226 PolarHBondContact O-N 3.15Å; C226-K228 PolarHBondContact O-N 3.38Å |
| 227 | P | 71.5 | Confident | 82.9 | Confident | 38 Ų | 38 | 67 Ų | 67 | 25% | 0.247 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 116.9 | 170.5 | 27.3 | -34.7 | 0 | 0 | 0 | 109.6 | P142 C143 Q172 | P142-P227 HydrophobicContact CB-CB 4.39Å; P142-P227 HydrophobicContact CB-CG 4.02Å; P142-P227 HydrophobicContact CG-CG 4.17Å; C143-P227 HydrophobicContact CB-CG 3.51Å; Q172-P227 PolarHBondContact N-O 3.44Å |
| 228 | K | 66 | Low | 82.9 | Confident | 109 Ų | 109 | 70 Ų | 70 | 47% | 0.474 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -61.7 | 152 | 167.6 | -66.8 | -170.8 | 173.7 | -170.3 | 0 | 108.9 | E223 C226 V230 | E223-K228 WeakPolarHBondContact O-CE 3.41Å; E223-K228 WeakPolarHBondContact OE2-CE 3.45Å; E223-K228 IonicContact OE2-NZ 3.44Å; E223-K228 PolarHBondContact OE2-NZ 3.45Å; C226-K228 PolarHBondContact O-N 3.38Å; K228-V230 PolarHBondContact O-N 3.32Å |
| 229 | A | 60.3 | Low | 83 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -46.9 | 129 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | N170 Q172 S231 | N170-A229 PolarHBondContact O-N 3.45Å; Q172-A229 HydrophobicContact CG-CB 3.56Å; A229-S231 PolarHBondContact O-N 2.86Å |
| 230 | V | 65.1 | Low | 83.1 | Confident | 89 Ų | 89 | 59.5 Ų | 59.5 | 54% | 0.539 | 32% | 0.322 | S | S | . | . | trans | -52.4 | 111.2 | 170.8 | 178.7 | 0 | 0 | 0 | 0 | 105.2 | K228 Q234 R235 | K228-V230 PolarHBondContact O-N 3.32Å; V230-Q234 HydrophobicContact CG1-CB 3.63Å; V230-R235 HydrophobicContact CG1-CG 4.06Å | ||
| 231 | S | 76.4 | Confident | 83.6 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | trans | -61.5 | 150.8 | -173.3 | 69.4 | 0 | 0 | 0 | 0 | 108 | A229 E233 Q234 R235 | A229-S231 PolarHBondContact O-N 2.86Å; S231-E233 PolarHBondContact O-N 3.03Å; S231-E233 VanDerWaalsContact O-N 3.14Å; S231-Q234 VanDerWaalsContact N-OE1 3.15Å; S231-Q234 WeakPolarHBondContact O-CB 3.21Å; S231-Q234 PolarHBondContact O-N 2.95Å; S231-Q234 WeakPolarHBondContact OG-CG 3.25Å; S231-Q234 PolarHBondContact OG-N 3.32Å; S231-R235 PolarHBondContact O-N 2.94Å | ||
| 232 | L | 82.3 | Confident | 83.9 | Confident | 56 Ų | 56 | 63.5 Ų | 63.5 | 29% | 0.293 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -49.5 | -44.1 | 174.7 | 178.7 | 56 | 0 | 0 | 0 | 109.5 | Q234 R235 L236 E285 | L232-Q234 PolarHBondContact O-N 3.02Å; L232-R235 CarbonylContact O-C 3.56Å; L232-R235 WeakPolarHBondContact O-CA 3.29Å; L232-R235 WeakPolarHBondContact O-CB 3.42Å; L232-R235 PolarHBondContact O-N 3.23Å; L232-L236 HydrophobicContact CD1-CD1 4.48Å; L232-L236 HydrophobicContact CD1-CD2 3.91Å; L232-L236 HydrophobicContact CD1-CG 4.08Å; L232-L236 HydrophobicContact CG-CD1 4.09Å; L232-L236 HydrophobicContact CG-CD2 4.42Å; L232-L236 HydrophobicContact CG-CG 4.16Å; L232-L236 VanDerWaalsContact O-CG 3.24Å; L232-L236 WeakPolarHBondContact O-CG 3.4Å; L232-L236 PolarHBondContact O-N 3.49Å; L232-E285 HydrophobicContact CD1-CG 3.81Å; L232-E285 HydrophobicContact CD2-CG 4.19Å |
| 233 | E | 84.4 | Confident | 84.2 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -52.1 | -46.1 | 174.7 | -162.3 | -167.9 | 142.5 | 0 | 0 | 114 | S231 L236 K237 Y293 | S231-E233 PolarHBondContact O-N 3.03Å; S231-E233 VanDerWaalsContact O-N 3.14Å; E233-L236 PolarHBondContact O-N 3.02Å; E233-K237 WeakPolarHBondContact O-CB 3.22Å; E233-K237 WeakPolarHBondContact O-CG 3.4Å; E233-K237 PolarHBondContact O-N 3.3Å; E233-K237 WeakPolarHBondContact OE1-CE 3.16Å; E233-K237 IonicContact OE1-NZ 3.44Å; E233-K237 PolarHBondContact OE1-NZ 3.41Å; E233-Y293 HydrophobicContact CG-CD2 3.93Å; E233-Y293 HydrophobicContact CG-CE2 3.63Å |
| 234 | Q | 84.2 | Confident | 84.8 | Confident | 103 Ų | 103 | 65 Ų | 65 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 176.1 | -75.3 | 173.4 | -32.1 | 0 | 0 | 112.3 | V230 S231 L232 K237 S238 | V230-Q234 HydrophobicContact CG1-CB 3.63Å; S231-Q234 VanDerWaalsContact N-OE1 3.15Å; S231-Q234 WeakPolarHBondContact O-CB 3.21Å; S231-Q234 PolarHBondContact O-N 2.95Å; S231-Q234 WeakPolarHBondContact OG-CG 3.25Å; S231-Q234 PolarHBondContact OG-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.02Å; Q234-K237 PolarHBondContact O-N 3.41Å; Q234-S238 WeakPolarHBondContact O-CB 3.26Å; Q234-S238 PolarHBondContact O-N 2.93Å; Q234-S238 PolarHBondContact O-OG 3.39Å |
| 235 | R | 88.8 | Confident | 85.5 | Confident | 83 Ų | 83 | 58.7 Ų | 58.7 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 172.9 | -102.6 | 176.3 | 69.4 | -161.5 | 1.1 | 111.6 | V230 S231 L232 S238 A239 D283 E285 | V230-R235 HydrophobicContact CG1-CG 4.06Å; S231-R235 PolarHBondContact O-N 2.94Å; L232-R235 CarbonylContact O-C 3.56Å; L232-R235 WeakPolarHBondContact O-CA 3.29Å; L232-R235 WeakPolarHBondContact O-CB 3.42Å; L232-R235 PolarHBondContact O-N 3.23Å; R235-S238 PolarHBondContact O-N 3.39Å; R235-A239 WeakPolarHBondContact O-CB 3.41Å; R235-A239 PolarHBondContact O-N 3.45Å; R235-D283 IonicContact CZ-OD2 3.53Å; R235-D283 IonicContact NH2-OD1 2.76Å; R235-D283 PolarHBondContact NH2-OD1 3.15Å; R235-D283 IonicContact NH2-OD2 2.8Å; R235-D283 PolarHBondContact NH2-OD2 2.79Å; R235-E285 IonicContact CZ-OE2 2.68Å; R235-E285 IonicContact NH1-OE1 3.66Å; R235-E285 IonicContact NH1-OE2 2.82Å; R235-E285 PolarHBondContact NH1-OE2 3.48Å; R235-E285 IonicContact NH2-OE2 3.93Å; R235-E285 PolarHBondContact NH2-OE2 3.23Å |
| 236 | L | 93.5 | Very high | 86.2 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -47.1 | 177.6 | -57.1 | 175.3 | 0 | 0 | 0 | 110.4 | L232 E233 S238 A239 I240 V286 G289 L290 Y293 | L232-L236 HydrophobicContact CD1-CD1 4.48Å; L232-L236 HydrophobicContact CD1-CD2 3.91Å; L232-L236 HydrophobicContact CD1-CG 4.08Å; L232-L236 HydrophobicContact CG-CD1 4.09Å; L232-L236 HydrophobicContact CG-CD2 4.42Å; L232-L236 HydrophobicContact CG-CG 4.16Å; L232-L236 VanDerWaalsContact O-CG 3.24Å; L232-L236 WeakPolarHBondContact O-CG 3.4Å; L232-L236 PolarHBondContact O-N 3.49Å; E233-L236 PolarHBondContact O-N 3.02Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 2.89Å; L236-A239 PolarHBondContact O-N 3.17Å; L236-I240 WeakPolarHBondContact O-CB 3.42Å; L236-I240 WeakPolarHBondContact O-CD1 3.46Å; L236-I240 WeakPolarHBondContact O-CG1 3.41Å; L236-I240 PolarHBondContact O-N 3.12Å; L236-V286 HydrophobicContact CD2-CB 4.2Å; L236-V286 HydrophobicContact CD2-CG1 4.02Å; L236-V286 HydrophobicContact CD2-CG2 4.15Å; L236-G289 VanDerWaalsContact CD1-C 3.48Å; L236-L290 HydrophobicContact CD2-CG 3.95Å; L236-Y293 HydrophobicContact CD1-CD2 4.13Å; L236-Y293 HydrophobicContact CD1-CG 3.88Å |
| 237 | K | 93.9 | Very high | 86.9 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.3 | -44.5 | 174.8 | -80.2 | 172.5 | 171.1 | 166.4 | 0 | 111.8 | E233 Q234 I240 N241 Y293 | E233-K237 WeakPolarHBondContact O-CB 3.22Å; E233-K237 WeakPolarHBondContact O-CG 3.4Å; E233-K237 PolarHBondContact O-N 3.3Å; E233-K237 WeakPolarHBondContact OE1-CE 3.16Å; E233-K237 IonicContact OE1-NZ 3.44Å; E233-K237 PolarHBondContact OE1-NZ 3.41Å; Q234-K237 PolarHBondContact O-N 3.41Å; K237-I240 PolarHBondContact O-N 3.33Å; K237-N241 WeakPolarHBondContact O-CB 3.4Å; K237-N241 PolarHBondContact O-N 3.3Å; K237-N241 PolarHBondContact O-ND2 3.5Å; K237-Y293 WeakPolarHBondContact CE-OH 3.11Å; K237-Y293 HydrophobicContact CG-CE2 4.29Å; K237-Y293 VanDerWaalsContact CG-OH 3.28Å; K237-Y293 WeakPolarHBondContact CG-OH 3.38Å |
| 238 | S | 92.8 | Very high | 88.2 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 179 | -57 | 0 | 0 | 0 | 0 | 111.6 | Q234 R235 L236 N241 Q242 | Q234-S238 WeakPolarHBondContact O-CB 3.26Å; Q234-S238 PolarHBondContact O-N 2.93Å; Q234-S238 PolarHBondContact O-OG 3.39Å; R235-S238 PolarHBondContact O-N 3.39Å; L236-S238 VanDerWaalsContact C-N 3.3Å; L236-S238 PolarHBondContact O-N 2.89Å; S238-N241 PolarHBondContact O-N 2.96Å; S238-Q242 PolarHBondContact O-N 3.46Å; S238-Q242 VanDerWaalsContact O-N 3.1Å |
| 239 | A | 94 | Very high | 89.6 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R235 L236 N241 Q242 F248 | R235-A239 WeakPolarHBondContact O-CB 3.41Å; R235-A239 PolarHBondContact O-N 3.45Å; L236-A239 PolarHBondContact O-N 3.17Å; A239-N241 VanDerWaalsContact C-N 3.32Å; A239-N241 PolarHBondContact O-N 3.34Å; A239-Q242 WeakPolarHBondContact O-CB 3.47Å; A239-Q242 PolarHBondContact O-N 3.48Å; A239-F248 HydrophobicContact CB-CE1 4.03Å; A239-F248 HydrophobicContact CB-CZ 3.88Å |
| 240 | I | 96.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 178.4 | -70.1 | 163.3 | 0 | 0 | 0 | 111 | L236 K237 Q242 M246 F248 L290 Y293 Y303 | L236-I240 WeakPolarHBondContact O-CB 3.42Å; L236-I240 WeakPolarHBondContact O-CD1 3.46Å; L236-I240 WeakPolarHBondContact O-CG1 3.41Å; L236-I240 PolarHBondContact O-N 3.12Å; K237-I240 PolarHBondContact O-N 3.33Å; I240-Q242 VanDerWaalsContact C-N 3.32Å; I240-M246 WeakPolarHBondContact O-CB 3.48Å; I240-F248 HydrophobicContact CB-CE2 4.42Å; I240-F248 HydrophobicContact CG1-CE2 3.8Å; I240-F248 HydrophobicContact CG1-CZ 3.98Å; I240-L290 HydrophobicContact CD1-CD2 3.79Å; I240-L290 HydrophobicContact CG1-CD2 3.97Å; I240-Y293 HydrophobicContact CD1-CD1 3.91Å; I240-Y293 HydrophobicContact CD1-CE1 3.56Å; I240-Y303 HydrophobicContact CB-CD1 4.47Å; I240-Y303 HydrophobicContact CD1-CD1 4.29Å; I240-Y303 HydrophobicContact CD1-CE1 3.77Å; I240-Y303 HydrophobicContact CG1-CD1 4.19Å; I240-Y303 HydrophobicContact CG1-CE1 4.05Å; I240-Y303 HydrophobicContact CG1-CE2 4.41Å; I240-Y303 HydrophobicContact CG1-CG 4.43Å; I240-Y303 HydrophobicContact CG2-CD1 3.45Å; I240-Y303 VanDerWaalsContact CG2-CD1 3.45Å; I240-Y303 HydrophobicContact CG2-CE1 4.05Å; I240-Y303 HydrophobicContact CG2-CG 3.77Å |
| 241 | N | 95.1 | Very high | 92.5 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 9.2 | -176.7 | -68.6 | -75.4 | 0 | 0 | 0 | 113.5 | K237 S238 A239 S243 G306 | K237-N241 WeakPolarHBondContact O-CB 3.4Å; K237-N241 PolarHBondContact O-N 3.3Å; K237-N241 PolarHBondContact O-ND2 3.5Å; S238-N241 PolarHBondContact O-N 2.96Å; A239-N241 VanDerWaalsContact C-N 3.32Å; A239-N241 PolarHBondContact O-N 3.34Å; N241-S243 PolarHBondContact O-N 2.98Å; N241-G306 WeakPolarHBondContact OD1-CA 3.24Å |
| 242 | Q | 94.9 | Very high | 93.2 | Very high | 133 Ų | 133 | 46.4 Ų | 46.4 | 62% | 0.621 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -29 | 177.9 | -172.7 | 175.4 | 7.8 | 0 | 0 | 112 | S238 A239 I240 M246 | S238-Q242 PolarHBondContact O-N 3.46Å; S238-Q242 VanDerWaalsContact O-N 3.1Å; A239-Q242 WeakPolarHBondContact O-CB 3.47Å; A239-Q242 PolarHBondContact O-N 3.48Å; I240-Q242 VanDerWaalsContact C-N 3.32Å; Q242-M246 HydrophobicContact CB-SD 4.48Å |
| 243 | S | 95.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 12% | 0.119 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -141.9 | 148.1 | 177.9 | -163.2 | 0 | 0 | 0 | 0 | 110.4 | N241 V245 D276 | N241-S243 PolarHBondContact O-N 2.98Å; S243-V245 PolarHBondContact O-N 3.08Å; S243-D276 WeakPolarHBondContact CB-OD2 3.46Å; S243-D276 PolarHBondContact OG-OD2 3.23Å |
| 244 | P | 96 | Very high | 93.6 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -57.8 | -32.1 | 177.7 | -26.1 | 35.1 | 0 | 0 | 0 | 113.6 | V304 K305 | P244-V304 CarbonylContact O-C 3.5Å; P244-V304 VanDerWaalsContact O-CA 3.3Å; P244-V304 WeakPolarHBondContact O-CA 3.31Å; P244-K305 PolarHBondContact O-N 3.14Å |
| 245 | V | 97.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 111.8 | 170.9 | -176.3 | 0 | 0 | 0 | 0 | 107.1 | S243 V273 Y275 D276 L302 Y303 V304 L328 | S243-V245 PolarHBondContact O-N 3.08Å; V245-V273 HydrophobicContact CG2-CG1 4.22Å; V245-Y275 VanDerWaalsContact CG1-CB 3.45Å; V245-Y275 CarbonylContact O-C 3.52Å; V245-Y275 VanDerWaalsContact O-CA 3.24Å; V245-Y275 WeakPolarHBondContact O-CA 3.35Å; V245-Y275 WeakPolarHBondContact O-CB 3.48Å; V245-D276 PolarHBondContact O-N 3.47Å; V245-L302 HydrophobicContact CG1-CD1 3.8Å; V245-Y303 WeakPolarHBondContact CA-O 3.43Å; V245-V304 HydrophobicContact CG1-CG2 4.38Å; V245-V304 HydrophobicContact CG2-CG2 4.35Å; V245-L328 HydrophobicContact CG1-CD2 3.72Å; V245-L328 HydrophobicContact CG2-CD2 4.4Å; V245-L328 WeakPolarHBondContact CG2-O 3.43Å |
| 246 | M | 97.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.5 | -172.5 | -166.2 | 65.3 | -172.9 | 0 | 0 | 110.9 | I240 Q242 F248 D276 F278 Y303 | I240-M246 WeakPolarHBondContact O-CB 3.48Å; Q242-M246 HydrophobicContact CB-SD 4.48Å; M246-F248 HydrophobicContact CB-CE2 4.46Å; M246-F248 HydrophobicContact CG-CD2 4.41Å; M246-F248 HydrophobicContact CG-CE2 3.75Å; M246-F248 HydrophobicContact CG-CZ 4.11Å; M246-D276 HydrophobicContact SD-CB 3.74Å; M246-F278 HydrophobicContact CE-CB 3.62Å; M246-Y303 PolarHBondContact N-O 3.27Å; M246-Y303 PolarHBondContact O-N 3.42Å |
| 247 | L | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 112.4 | -178.8 | 176.1 | 63.5 | 0 | 0 | 0 | 111.3 | M249 I264 L265 L268 Y275 D276 T277 F278 P300 L302 | L247-M249 HydrophobicContact CD2-CB 4.49Å; L247-M249 HydrophobicContact CD2-CG 4.24Å; L247-M249 HydrophobicContact CD2-SD 3.65Å; L247-M249 HydrophobicContact CG-CB 4.19Å; L247-M249 HydrophobicContact CG-CG 4.12Å; L247-M249 HydrophobicContact CG-SD 4.19Å; L247-I264 HydrophobicContact CD1-CD1 3.75Å; L247-I264 HydrophobicContact CD1-CG1 4.32Å; L247-I264 HydrophobicContact CD1-CG2 4.23Å; L247-I264 HydrophobicContact CD2-CG1 4.47Å; L247-I264 HydrophobicContact CD2-CG2 3.76Å; L247-L265 HydrophobicContact CD2-CD2 3.97Å; L247-L268 HydrophobicContact CD2-CD1 3.87Å; L247-Y275 HydrophobicContact CB-CD2 4.31Å; L247-Y275 HydrophobicContact CD2-CE2 4.21Å; L247-D276 PolarHBondContact N-O 3.27Å; L247-T277 HydrophobicContact CB-CG2 4.24Å; L247-T277 HydrophobicContact CD2-CG2 4.2Å; L247-T277 HydrophobicContact CG-CG2 4.49Å; L247-T277 CarbonylContact O-C 3.53Å; L247-T277 VanDerWaalsContact O-CA 3.22Å; L247-T277 WeakPolarHBondContact O-CA 3.48Å; L247-F278 PolarHBondContact O-N 2.85Å; L247-P300 HydrophobicContact CD1-CB 3.83Å; L247-L302 HydrophobicContact CB-CD1 4.3Å; L247-L302 HydrophobicContact CD1-CB 4.38Å; L247-L302 HydrophobicContact CD1-CD1 4.44Å |
| 248 | F | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 117.5 | 170.8 | -67.4 | -91.3 | 0 | 0 | 0 | 109.6 | A239 I240 M246 F278 I280 V286 L290 Y299 P300 Q301 Y303 | A239-F248 HydrophobicContact CB-CE1 4.03Å; A239-F248 HydrophobicContact CB-CZ 3.88Å; I240-F248 HydrophobicContact CB-CE2 4.42Å; I240-F248 HydrophobicContact CG1-CE2 3.8Å; I240-F248 HydrophobicContact CG1-CZ 3.98Å; M246-F248 HydrophobicContact CB-CE2 4.46Å; M246-F248 HydrophobicContact CG-CD2 4.41Å; M246-F248 HydrophobicContact CG-CE2 3.75Å; M246-F248 HydrophobicContact CG-CZ 4.11Å; F248-F278 HydrophobicContact CD1-CB 3.52Å; F248-F278 AromaticContact CD1-CD1 3.68Å; F248-F278 HydrophobicContact CD1-CD1 3.68Å; F248-F278 AromaticContact CD1-CG 3.74Å; F248-F278 HydrophobicContact CD1-CG 3.74Å; F248-F278 HydrophobicContact CE1-CB 3.6Å; F248-F278 AromaticContact CE1-CD1 3.88Å; F248-F278 HydrophobicContact CE1-CD1 3.88Å; F248-F278 HydrophobicContact CE1-CD2 4.17Å; F248-F278 AromaticContact CE1-CG 3.63Å; F248-F278 HydrophobicContact CE1-CG 3.63Å; F248-F278 HydrophobicContact CG-CB 4.33Å; F248-F278 HydrophobicContact CZ-CB 4.46Å; F248-I280 HydrophobicContact CB-CG2 3.93Å; F248-I280 HydrophobicContact CD1-CG2 4.02Å; F248-I280 HydrophobicContact CG-CG2 4.48Å; F248-V286 HydrophobicContact CE1-CG1 4.37Å; F248-L290 HydrophobicContact CB-CD1 4.16Å; F248-L290 HydrophobicContact CD1-CD1 3.21Å; F248-L290 HydrophobicContact CD2-CD1 4.06Å; F248-L290 HydrophobicContact CE1-CD1 3.49Å; F248-L290 VanDerWaalsContact CE1-CD1 3.49Å; F248-L290 HydrophobicContact CE2-CD1 4.28Å; F248-L290 HydrophobicContact CG-CD1 3.52Å; F248-L290 HydrophobicContact CZ-CD1 4.02Å; F248-Y299 HydrophobicContact CB-CD1 4.09Å; F248-Y299 HydrophobicContact CB-CE1 3.86Å; F248-P300 CarbonylContact O-C 3.5Å; F248-P300 VanDerWaalsContact O-CA 3.24Å; F248-P300 WeakPolarHBondContact O-CA 3.24Å; F248-Q301 HydrophobicContact CB-CB 4.45Å; F248-Q301 PolarHBondContact N-O 3.18Å; F248-Q301 PolarHBondContact O-N 3.19Å; F248-Y303 AromaticContact CD2-CD2 3.69Å; F248-Y303 HydrophobicContact CD2-CD2 3.69Å; F248-Y303 AromaticContact CD2-CE2 3.78Å; F248-Y303 HydrophobicContact CD2-CE2 3.78Å; F248-Y303 AromaticContact CE2-CD2 3.88Å; F248-Y303 HydrophobicContact CE2-CD2 3.88Å; F248-Y303 HydrophobicContact CE2-CE2 4.08Å |
| 249 | M | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 171 | -172.5 | 60.8 | 167.8 | -92.8 | 0 | 0 | 113 | L247 G251 N252 A256 L265 T277 F278 D279 I280 P300 | L247-M249 HydrophobicContact CD2-CB 4.49Å; L247-M249 HydrophobicContact CD2-CG 4.24Å; L247-M249 HydrophobicContact CD2-SD 3.65Å; L247-M249 HydrophobicContact CG-CB 4.19Å; L247-M249 HydrophobicContact CG-CG 4.12Å; L247-M249 HydrophobicContact CG-SD 4.19Å; M249-G251 PolarHBondContact O-N 3.07Å; M249-N252 WeakPolarHBondContact CE-O 3.23Å; M249-A256 HydrophobicContact CE-CB 3.81Å; M249-L265 HydrophobicContact CE-CD1 3.71Å; M249-L265 HydrophobicContact CE-CG 4.24Å; M249-L265 HydrophobicContact SD-CD1 3.99Å; M249-L265 HydrophobicContact SD-CD2 3.8Å; M249-L265 HydrophobicContact SD-CG 3.87Å; M249-T277 HydrophobicContact CG-CG2 4.43Å; M249-T277 HydrophobicContact SD-CG2 3.98Å; M249-F278 PolarHBondContact N-O 2.88Å; M249-F278 VanDerWaalsContact O-O 3.14Å; M249-D279 WeakPolarHBondContact O-CA 3.31Å; M249-I280 WeakPolarHBondContact O-CG1 3.48Å; M249-I280 PolarHBondContact O-N 3.14Å; M249-P300 HydrophobicContact CB-CB 4.15Å |
| 250 | K | 94.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 53 Ų | 53 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -84.8 | 107.1 | 174.2 | -68.8 | 175.5 | -178.2 | 175.5 | 0 | 109 | R257 C258 S261 I280 L281 | K250-R257 HydrophobicContact CB-CB 4.48Å; K250-R257 PolarHBondContact O-N 3.33Å; K250-C258 HydrophobicContact CB-CB 3.95Å; K250-C258 HydrophobicContact CD-CB 3.86Å; K250-C258 HydrophobicContact CG-CB 4.49Å; K250-S261 PolarHBondContact N-OG 2.77Å; K250-I280 HydrophobicContact CG-CD1 3.68Å; K250-I280 HydrophobicContact CG-CG1 4.43Å; K250-L281 HydrophobicContact CB-CD1 3.99Å; K250-L281 HydrophobicContact CB-CG 4.26Å; K250-L281 HydrophobicContact CG-CD1 4.31Å; K250-L281 HydrophobicContact CG-CD2 4.17Å; K250-L281 HydrophobicContact CG-CG 4.17Å |
| 251 | G | 91.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | 93.8 | -162.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M249 A255 D279 | M249-G251 PolarHBondContact O-N 3.07Å; G251-A255 WeakPolarHBondContact CA-O 3.32Å; G251-D279 VanDerWaalsContact CA-CG 3.48Å; G251-D279 WeakPolarHBondContact CA-OD1 3.45Å; G251-D279 VanDerWaalsContact N-CG 3.35Å; G251-D279 PolarHBondContact N-OD1 3.37Å; G251-D279 WeakPolarHBondContact O-CA 3.49Å; G251-D279 WeakPolarHBondContact O-CB 3.26Å |
| 252 | N | 91.3 | Very high | 92.4 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | trans | -133 | -174.5 | -179.8 | 58.6 | 17.7 | 0 | 0 | 0 | 111.1 | M249 E254 A255 A256 | M249-N252 WeakPolarHBondContact CE-O 3.23Å; N252-E254 PolarHBondContact ND2-OE2 3.01Å; N252-E254 PolarHBondContact O-N 2.8Å; N252-E254 PolarHBondContact OD1-N 2.8Å; N252-E254 PolarHBondContact OD1-OE2 3.2Å; N252-A255 PolarHBondContact N-O 3.44Å; N252-A255 CarbonylContact O-C 3.51Å; N252-A255 PolarHBondContact O-N 2.81Å; N252-A255 WeakPolarHBondContact OD1-CA 3.3Å; N252-A255 WeakPolarHBondContact OD1-CB 3.08Å; N252-A255 PolarHBondContact OD1-N 2.89Å; N252-A256 PolarHBondContact O-N 2.77Å | ||
| 253 | K | 89.6 | Confident | 92.5 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -56.3 | -36.2 | 179.4 | -69.2 | -179.4 | -176.6 | 165.7 | 0 | 112.9 | L265 Y275 D276 T277 | K253-L265 HydrophobicContact CG-CD2 4.35Å; K253-Y275 WeakPolarHBondContact CE-O 3.37Å; K253-Y275 HydrophobicContact CG-CE2 4.42Å; K253-Y275 PolarHBondContact NZ-O 3.2Å; K253-D276 IonicContact NZ-OD1 2.65Å; K253-D276 PolarHBondContact NZ-OD1 3.12Å; K253-T277 HydrophobicContact CG-CG2 3.65Å |
| 254 | E | 85.2 | Confident | 92.5 | Very high | 152 Ų | 152 | 51.4 Ų | 51.4 | 71% | 0.71 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -83.4 | -31.6 | -176.3 | -57.5 | 71.5 | -151.8 | 0 | 0 | 112.2 | N252 | N252-E254 PolarHBondContact ND2-OE2 3.01Å; N252-E254 PolarHBondContact O-N 2.8Å; N252-E254 PolarHBondContact OD1-N 2.8Å; N252-E254 PolarHBondContact OD1-OE2 3.2Å |
| 255 | A | 85.6 | Confident | 92.5 | Very high | 51 Ų | 51 | 47.9 Ų | 47.9 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | trans | -142.6 | 77.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G251 N252 | G251-A255 WeakPolarHBondContact CA-O 3.32Å; N252-A255 PolarHBondContact N-O 3.44Å; N252-A255 CarbonylContact O-C 3.51Å; N252-A255 PolarHBondContact O-N 2.81Å; N252-A255 WeakPolarHBondContact OD1-CA 3.3Å; N252-A255 WeakPolarHBondContact OD1-CB 3.08Å; N252-A255 PolarHBondContact OD1-N 2.89Å | ||
| 256 | A | 84.6 | Confident | 92.3 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 24% | 0.24 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -72.8 | 126.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M249 N252 R262 L265 | M249-A256 HydrophobicContact CE-CB 3.81Å; N252-A256 PolarHBondContact O-N 2.77Å; A256-R262 HydrophobicContact CB-CB 4.48Å; A256-R262 HydrophobicContact CB-CG 3.44Å; A256-R262 VanDerWaalsContact CB-CG 3.44Å; A256-L265 HydrophobicContact CB-CD1 3.86Å |
| 257 | R | 83.1 | Confident | 92.3 | Very high | 164 Ų | 164 | 54.8 Ų | 54.8 | 62% | 0.619 | 27% | 0.266 | S | S | * | . | trans | -101 | 8 | -172.8 | -63.8 | 178.7 | 177.5 | -176 | 2.3 | 114.2 | K250 L281 | K250-R257 HydrophobicContact CB-CB 4.48Å; K250-R257 PolarHBondContact O-N 3.33Å; R257-L281 HydrophobicContact CB-CD1 4.2Å | ||
| 258 | C | 90 | Very high | 92.2 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -147.3 | 146.7 | -179.8 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | K250 F260 S261 R262 | K250-C258 HydrophobicContact CB-CB 3.95Å; K250-C258 HydrophobicContact CD-CB 3.86Å; K250-C258 HydrophobicContact CG-CB 4.49Å; C258-F260 VanDerWaalsContact C-N 3.34Å; C258-F260 PolarHBondContact O-N 2.91Å; C258-S261 PolarHBondContact O-N 2.9Å; C258-R262 PolarHBondContact O-N 3.44Å |
| 259 | G | 88.5 | Confident | 92 | Very high | 30 Ų | 30 | 59.8 Ų | 59.8 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S261 R262 Q263 | G259-S261 VanDerWaalsContact C-N 3.33Å; G259-S261 PolarHBondContact O-N 3.49Å; G259-R262 PolarHBondContact O-N 3.3Å; G259-Q263 WeakPolarHBondContact O-CG 3.15Å; G259-Q263 PolarHBondContact O-N 2.87Å |
| 260 | F | 93.2 | Very high | 91.9 | Very high | 121 Ų | 121 | 63.1 Ų | 63.1 | 53% | 0.531 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 175.7 | -58.4 | -58.5 | 0 | 0 | 0 | 112.4 | C258 Q263 I264 L312 | C258-F260 VanDerWaalsContact C-N 3.34Å; C258-F260 PolarHBondContact O-N 2.91Å; F260-Q263 PolarHBondContact O-N 3.04Å; F260-I264 PolarHBondContact O-N 3.05Å; F260-I264 VanDerWaalsContact O-N 3.13Å; F260-L312 HydrophobicContact CB-CD2 4.01Å; F260-L312 HydrophobicContact CD1-CD2 3.63Å; F260-L312 HydrophobicContact CG-CD2 4.3Å |
| 261 | S | 93.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67 | -36.8 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | K250 C258 G259 I264 L265 | K250-S261 PolarHBondContact N-OG 2.77Å; C258-S261 PolarHBondContact O-N 2.9Å; G259-S261 VanDerWaalsContact C-N 3.33Å; G259-S261 PolarHBondContact O-N 3.49Å; S261-I264 VanDerWaalsContact O-CG2 3.27Å; S261-I264 WeakPolarHBondContact O-CG2 3.41Å; S261-L265 VanDerWaalsContact O-CG 3.27Å; S261-L265 WeakPolarHBondContact O-CG 3.33Å; S261-L265 PolarHBondContact O-N 3.01Å |
| 262 | R | 94.8 | Very high | 91.9 | Very high | 141 Ų | 141 | 64.9 Ų | 64.9 | 53% | 0.532 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 172.6 | -79 | -176.9 | -85.7 | 141.1 | -7.2 | 112.3 | A256 C258 G259 I264 L265 E266 | A256-R262 HydrophobicContact CB-CB 4.48Å; A256-R262 HydrophobicContact CB-CG 3.44Å; A256-R262 VanDerWaalsContact CB-CG 3.44Å; C258-R262 PolarHBondContact O-N 3.44Å; G259-R262 PolarHBondContact O-N 3.3Å; R262-I264 PolarHBondContact O-N 3.46Å; R262-L265 PolarHBondContact O-N 3.02Å; R262-E266 WeakPolarHBondContact O-CG 3.4Å; R262-E266 PolarHBondContact O-N 2.67Å |
| 263 | Q | 96.1 | Very high | 92.1 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | -178.6 | -71.7 | 179.9 | 23.8 | 0 | 0 | 112.7 | G259 F260 E266 I267 L312 | G259-Q263 WeakPolarHBondContact O-CG 3.15Å; G259-Q263 PolarHBondContact O-N 2.87Å; F260-Q263 PolarHBondContact O-N 3.04Å; Q263-E266 PolarHBondContact O-N 3.09Å; Q263-I267 WeakPolarHBondContact O-CG1 3.32Å; Q263-I267 PolarHBondContact O-N 3.2Å; Q263-I267 VanDerWaalsContact O-N 3.13Å; Q263-L312 HydrophobicContact CB-CD1 3.87Å; Q263-L312 HydrophobicContact CB-CD2 3.95Å |
| 264 | I | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.6 | -37.1 | 178.4 | -167.1 | 159.1 | 0 | 0 | 0 | 111.6 | L247 F260 S261 R262 I267 L268 P300 L302 L312 V315 | L247-I264 HydrophobicContact CD1-CD1 3.75Å; L247-I264 HydrophobicContact CD1-CG1 4.32Å; L247-I264 HydrophobicContact CD1-CG2 4.23Å; L247-I264 HydrophobicContact CD2-CG1 4.47Å; L247-I264 HydrophobicContact CD2-CG2 3.76Å; F260-I264 PolarHBondContact O-N 3.05Å; F260-I264 VanDerWaalsContact O-N 3.13Å; S261-I264 VanDerWaalsContact O-CG2 3.27Å; S261-I264 WeakPolarHBondContact O-CG2 3.41Å; R262-I264 PolarHBondContact O-N 3.46Å; I264-I267 PolarHBondContact O-N 3.43Å; I264-L268 HydrophobicContact CG1-CD1 4.12Å; I264-L268 HydrophobicContact CG1-CG 4.26Å; I264-L268 WeakPolarHBondContact O-CG 3.45Å; I264-L268 PolarHBondContact O-N 3.25Å; I264-P300 HydrophobicContact CB-CG 4.19Å; I264-P300 HydrophobicContact CD1-CB 4.2Å; I264-P300 HydrophobicContact CD1-CG 3.97Å; I264-P300 HydrophobicContact CG2-CB 3.99Å; I264-P300 HydrophobicContact CG2-CG 3.77Å; I264-L302 HydrophobicContact CD1-CB 4.45Å; I264-L312 HydrophobicContact CB-CD1 3.82Å; I264-V315 HydrophobicContact CD1-CB 4.31Å; I264-V315 HydrophobicContact CD1-CG1 4.43Å; I264-V315 HydrophobicContact CD1-CG2 3.95Å; I264-V315 HydrophobicContact CG1-CG1 4.25Å |
| 265 | L | 95.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.6 | -71.8 | 174.6 | 0 | 0 | 0 | 111.2 | L247 M249 K253 A256 S261 R262 I267 L268 N269 Y275 T277 | L247-L265 HydrophobicContact CD2-CD2 3.97Å; M249-L265 HydrophobicContact CE-CD1 3.71Å; M249-L265 HydrophobicContact CE-CG 4.24Å; M249-L265 HydrophobicContact SD-CD1 3.99Å; M249-L265 HydrophobicContact SD-CD2 3.8Å; M249-L265 HydrophobicContact SD-CG 3.87Å; K253-L265 HydrophobicContact CG-CD2 4.35Å; A256-L265 HydrophobicContact CB-CD1 3.86Å; S261-L265 VanDerWaalsContact O-CG 3.27Å; S261-L265 WeakPolarHBondContact O-CG 3.33Å; S261-L265 PolarHBondContact O-N 3.01Å; R262-L265 PolarHBondContact O-N 3.02Å; L265-I267 VanDerWaalsContact C-N 3.28Å; L265-I267 PolarHBondContact O-N 3.47Å; L265-L268 PolarHBondContact O-N 3.01Å; L265-N269 WeakPolarHBondContact O-CB 3.24Å; L265-N269 PolarHBondContact O-N 3.16Å; L265-N269 PolarHBondContact O-ND2 2.92Å; L265-Y275 HydrophobicContact CD2-CE2 3.75Å; L265-Y275 WeakPolarHBondContact CD2-OH 3.5Å; L265-T277 HydrophobicContact CD2-CG2 4.06Å |
| 266 | E | 94.8 | Very high | 93.5 | Very high | 137 Ų | 137 | 61 Ų | 61 | 64% | 0.64 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.5 | -40.5 | 176.3 | -73.3 | 168.5 | -167.9 | 0 | 0 | 112 | R262 Q263 G270 | R262-E266 WeakPolarHBondContact O-CG 3.4Å; R262-E266 PolarHBondContact O-N 2.67Å; Q263-E266 PolarHBondContact O-N 3.09Å; E266-G270 PolarHBondContact O-N 2.83Å |
| 267 | I | 96.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.3 | -52.6 | 176.4 | -67.6 | 166.2 | 0 | 0 | 0 | 110.8 | Q263 I264 L265 G270 T271 L312 V315 K316 K319 L324 | Q263-I267 WeakPolarHBondContact O-CG1 3.32Å; Q263-I267 PolarHBondContact O-N 3.2Å; Q263-I267 VanDerWaalsContact O-N 3.13Å; I264-I267 PolarHBondContact O-N 3.43Å; L265-I267 VanDerWaalsContact C-N 3.28Å; L265-I267 PolarHBondContact O-N 3.47Å; I267-G270 PolarHBondContact O-N 2.99Å; I267-T271 WeakPolarHBondContact O-CG2 3.33Å; I267-T271 PolarHBondContact O-N 3.16Å; I267-L312 HydrophobicContact CD1-CD1 3.93Å; I267-V315 HydrophobicContact CB-CG1 4.42Å; I267-V315 HydrophobicContact CD1-CG1 4.4Å; I267-V315 HydrophobicContact CG2-CG1 3.7Å; I267-K316 HydrophobicContact CD1-CG 3.63Å; I267-K319 HydrophobicContact CB-CD 4.49Å; I267-K319 HydrophobicContact CG1-CD 4.07Å; I267-K319 HydrophobicContact CG2-CB 4.42Å; I267-K319 HydrophobicContact CG2-CD 3.86Å; I267-K319 HydrophobicContact CG2-CG 4.47Å; I267-L324 HydrophobicContact CG2-CD2 3.46Å; I267-L324 VanDerWaalsContact CG2-CD2 3.46Å |
| 268 | L | 96.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | -176.6 | -67.2 | 177.8 | 0 | 0 | 0 | 112 | L247 I264 L265 G270 T271 Y275 L302 L328 | L247-L268 HydrophobicContact CD2-CD1 3.87Å; I264-L268 HydrophobicContact CG1-CD1 4.12Å; I264-L268 HydrophobicContact CG1-CG 4.26Å; I264-L268 WeakPolarHBondContact O-CG 3.45Å; I264-L268 PolarHBondContact O-N 3.25Å; L265-L268 PolarHBondContact O-N 3.01Å; L268-G270 PolarHBondContact O-N 2.72Å; L268-T271 WeakPolarHBondContact O-CB 3.46Å; L268-T271 PolarHBondContact O-N 2.88Å; L268-T271 PolarHBondContact O-OG1 3.47Å; L268-Y275 HydrophobicContact CB-CD1 4.03Å; L268-Y275 HydrophobicContact CB-CE1 3.6Å; L268-Y275 HydrophobicContact CB-CE2 4.42Å; L268-Y275 HydrophobicContact CD1-CD1 4.47Å; L268-Y275 HydrophobicContact CD1-CD2 3.96Å; L268-Y275 HydrophobicContact CD1-CE1 4.43Å; L268-Y275 HydrophobicContact CD1-CE2 3.91Å; L268-Y275 HydrophobicContact CD1-CG 4.25Å; L268-L302 HydrophobicContact CD1-CD1 4.06Å; L268-L302 HydrophobicContact CD2-CD2 4.13Å; L268-L328 HydrophobicContact CD2-CD1 3.88Å; L268-L328 HydrophobicContact CD2-CD2 4.06Å |
| 269 | N | 94.8 | Very high | 95 | Very high | 104 Ų | 104 | 54.8 Ų | 54.8 | 56% | 0.556 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57.4 | -35.9 | 174.2 | -74.1 | -24.9 | 0 | 0 | 0 | 111.9 | L265 T271 G272 Y275 | L265-N269 WeakPolarHBondContact O-CB 3.24Å; L265-N269 PolarHBondContact O-N 3.16Å; L265-N269 PolarHBondContact O-ND2 2.92Å; N269-T271 PolarHBondContact O-N 3.4Å; N269-G272 PolarHBondContact O-N 3.2Å; N269-Y275 PolarHBondContact OD1-OH 3.41Å |
| 270 | G | 93.9 | Very high | 95.3 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 72% | 0.722 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E266 I267 L268 | E266-G270 PolarHBondContact O-N 2.83Å; I267-G270 PolarHBondContact O-N 2.99Å; L268-G270 PolarHBondContact O-N 2.72Å |
| 271 | T | 94.5 | Very high | 95.3 | Very high | 33 Ų | 33 | 50.8 Ų | 50.8 | 20% | 0.202 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -22.9 | 178.6 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | I267 L268 N269 V273 L324 V325 L328 | I267-T271 WeakPolarHBondContact O-CG2 3.33Å; I267-T271 PolarHBondContact O-N 3.16Å; L268-T271 WeakPolarHBondContact O-CB 3.46Å; L268-T271 PolarHBondContact O-N 2.88Å; L268-T271 PolarHBondContact O-OG1 3.47Å; N269-T271 PolarHBondContact O-N 3.4Å; T271-V273 PolarHBondContact O-N 3.1Å; T271-V273 PolarHBondContact OG1-N 2.93Å; T271-L324 HydrophobicContact CG2-CD2 3.72Å; T271-L324 HydrophobicContact CG2-CG 4.2Å; T271-V325 HydrophobicContact CG2-CG2 4.36Å; T271-L328 HydrophobicContact CG2-CD1 3.86Å |
| 272 | G | 92.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 57.7 Ų | 57.7 | 72% | 0.722 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 9.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N269 | N269-G272 PolarHBondContact O-N 3.2Š|
| 273 | V | 94.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | trans | -85.2 | 134.2 | 173.3 | 180 | 0 | 0 | 0 | 0 | 109.6 | V245 T271 V325 L328 K329 | V245-V273 HydrophobicContact CG2-CG1 4.22Å; T271-V273 PolarHBondContact O-N 3.1Å; T271-V273 PolarHBondContact OG1-N 2.93Å; V273-V325 HydrophobicContact CG2-CG1 4.45Å; V273-L328 HydrophobicContact CB-CB 4.42Å; V273-L328 HydrophobicContact CB-CD1 4.3Å; V273-L328 HydrophobicContact CG1-CB 4.13Å; V273-L328 HydrophobicContact CG2-CB 4.21Å; V273-L328 HydrophobicContact CG2-CD1 4.33Å; V273-K329 HydrophobicContact CG2-CG 4.2Å | ||
| 274 | D | 95.5 | Very high | 94.8 | Very high | 152 Ų | 152 | 53.8 Ų | 53.8 | 81% | 0.813 | 31% | 0.309 | S | S | * | . | trans | -68.5 | 134.5 | 173.8 | -72.4 | -34.5 | 0 | 0 | 0 | 111.2 | ||||
| 275 | Y | 96.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | trans | -148.3 | 160.2 | 176.9 | 69.7 | -82.7 | 0 | 0 | 0 | 109.9 | V245 L247 K253 L265 L268 N269 T277 | V245-Y275 VanDerWaalsContact CG1-CB 3.45Å; V245-Y275 CarbonylContact O-C 3.52Å; V245-Y275 VanDerWaalsContact O-CA 3.24Å; V245-Y275 WeakPolarHBondContact O-CA 3.35Å; V245-Y275 WeakPolarHBondContact O-CB 3.48Å; L247-Y275 HydrophobicContact CB-CD2 4.31Å; L247-Y275 HydrophobicContact CD2-CE2 4.21Å; K253-Y275 WeakPolarHBondContact CE-O 3.37Å; K253-Y275 HydrophobicContact CG-CE2 4.42Å; K253-Y275 PolarHBondContact NZ-O 3.2Å; L265-Y275 HydrophobicContact CD2-CE2 3.75Å; L265-Y275 WeakPolarHBondContact CD2-OH 3.5Å; L268-Y275 HydrophobicContact CB-CD1 4.03Å; L268-Y275 HydrophobicContact CB-CE1 3.6Å; L268-Y275 HydrophobicContact CB-CE2 4.42Å; L268-Y275 HydrophobicContact CD1-CD1 4.47Å; L268-Y275 HydrophobicContact CD1-CD2 3.96Å; L268-Y275 HydrophobicContact CD1-CE1 4.43Å; L268-Y275 HydrophobicContact CD1-CE2 3.91Å; L268-Y275 HydrophobicContact CD1-CG 4.25Å; N269-Y275 PolarHBondContact OD1-OH 3.41Å; Y275-T277 HydrophobicContact CD2-CG2 4.25Å; Y275-T277 HydrophobicContact CE2-CG2 3.82Å | ||
| 276 | D | 97.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 38% | 0.38 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 166.7 | 171.5 | -75.6 | -42.4 | 0 | 0 | 0 | 112.9 | S243 V245 M246 L247 K253 | S243-D276 WeakPolarHBondContact CB-OD2 3.46Å; S243-D276 PolarHBondContact OG-OD2 3.23Å; V245-D276 PolarHBondContact O-N 3.47Å; M246-D276 HydrophobicContact SD-CB 3.74Å; L247-D276 PolarHBondContact N-O 3.27Å; K253-D276 IonicContact NZ-OD1 2.65Å; K253-D276 PolarHBondContact NZ-OD1 3.12Å |
| 277 | T | 97.1 | Very high | 94.3 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 19% | 0.19 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 143.2 | -179 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | L247 M249 K253 L265 Y275 | L247-T277 HydrophobicContact CB-CG2 4.24Å; L247-T277 HydrophobicContact CD2-CG2 4.2Å; L247-T277 HydrophobicContact CG-CG2 4.49Å; L247-T277 CarbonylContact O-C 3.53Å; L247-T277 VanDerWaalsContact O-CA 3.22Å; L247-T277 WeakPolarHBondContact O-CA 3.48Å; M249-T277 HydrophobicContact CG-CG2 4.43Å; M249-T277 HydrophobicContact SD-CG2 3.98Å; K253-T277 HydrophobicContact CG-CG2 3.65Å; L265-T277 HydrophobicContact CD2-CG2 4.06Å; Y275-T277 HydrophobicContact CD2-CG2 4.25Å; Y275-T277 HydrophobicContact CE2-CG2 3.82Å |
| 278 | F | 96.6 | Very high | 94.2 | Very high | 46 Ų | 46 | 57.9 Ų | 57.9 | 20% | 0.202 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.8 | 168.2 | -173.6 | -79.4 | 0 | 0 | 0 | 110.2 | M246 L247 F248 M249 I280 D283 V286 | M246-F278 HydrophobicContact CE-CB 3.62Å; L247-F278 PolarHBondContact O-N 2.85Å; F248-F278 HydrophobicContact CD1-CB 3.52Å; F248-F278 AromaticContact CD1-CD1 3.68Å; F248-F278 HydrophobicContact CD1-CD1 3.68Å; F248-F278 AromaticContact CD1-CG 3.74Å; F248-F278 HydrophobicContact CD1-CG 3.74Å; F248-F278 HydrophobicContact CE1-CB 3.6Å; F248-F278 AromaticContact CE1-CD1 3.88Å; F248-F278 HydrophobicContact CE1-CD1 3.88Å; F248-F278 HydrophobicContact CE1-CD2 4.17Å; F248-F278 AromaticContact CE1-CG 3.63Å; F248-F278 HydrophobicContact CE1-CG 3.63Å; F248-F278 HydrophobicContact CG-CB 4.33Å; F248-F278 HydrophobicContact CZ-CB 4.46Å; M249-F278 PolarHBondContact N-O 2.88Å; M249-F278 VanDerWaalsContact O-O 3.14Å; F278-I280 HydrophobicContact CD1-CG2 3.95Å; F278-I280 HydrophobicContact CE1-CG2 4.4Å; F278-I280 PolarHBondContact O-N 2.96Å; F278-D283 HydrophobicContact CE1-CB 4.12Å; F278-D283 HydrophobicContact CZ-CB 3.95Å; F278-V286 HydrophobicContact CD1-CG1 4.39Å; F278-V286 HydrophobicContact CE1-CB 4.24Å; F278-V286 HydrophobicContact CE1-CG1 3.73Å; F278-V286 HydrophobicContact CZ-CB 4.29Å; F278-V286 HydrophobicContact CZ-CG1 3.99Å; F278-V286 HydrophobicContact CZ-CG2 4.34Å |
| 279 | D | 96.9 | Very high | 94 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 100.4 | 177.2 | -174.7 | 3.8 | 0 | 0 | 0 | 110.9 | M249 G251 L281 Q282 | M249-D279 WeakPolarHBondContact O-CA 3.31Å; G251-D279 VanDerWaalsContact CA-CG 3.48Å; G251-D279 WeakPolarHBondContact CA-OD1 3.45Å; G251-D279 VanDerWaalsContact N-CG 3.35Å; G251-D279 PolarHBondContact N-OD1 3.37Å; G251-D279 WeakPolarHBondContact O-CA 3.49Å; G251-D279 WeakPolarHBondContact O-CB 3.26Å; D279-L281 PolarHBondContact O-N 3.34Å; D279-L281 VanDerWaalsContact OD1-CB 3.32Å; D279-L281 WeakPolarHBondContact OD1-CB 3.46Å; D279-L281 PolarHBondContact OD1-N 3.32Å; D279-Q282 HydrophobicContact CB-CG 4.17Å; D279-Q282 PolarHBondContact O-N 2.99Å; D279-Q282 VanDerWaalsContact O-N 3.11Å; D279-Q282 PolarHBondContact OD2-NE2 3.47Å |
| 280 | I | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -6.4 | -179 | 62.4 | 64.3 | 0 | 0 | 0 | 113.7 | F248 M249 K250 F278 Q282 R287 Y299 | F248-I280 HydrophobicContact CB-CG2 3.93Å; F248-I280 HydrophobicContact CD1-CG2 4.02Å; F248-I280 HydrophobicContact CG-CG2 4.48Å; M249-I280 WeakPolarHBondContact O-CG1 3.48Å; M249-I280 PolarHBondContact O-N 3.14Å; K250-I280 HydrophobicContact CG-CD1 3.68Å; K250-I280 HydrophobicContact CG-CG1 4.43Å; F278-I280 HydrophobicContact CD1-CG2 3.95Å; F278-I280 HydrophobicContact CE1-CG2 4.4Å; F278-I280 PolarHBondContact O-N 2.96Å; I280-Q282 VanDerWaalsContact C-N 3.3Å; I280-R287 HydrophobicContact CB-CB 4.11Å; I280-R287 HydrophobicContact CB-CG 4.14Å; I280-R287 HydrophobicContact CD1-CG 3.97Å; I280-R287 HydrophobicContact CG1-CG 4.32Å; I280-Y299 HydrophobicContact CB-CE1 4.47Å; I280-Y299 HydrophobicContact CD1-CD2 4.41Å; I280-Y299 HydrophobicContact CG1-CD1 4.12Å; I280-Y299 HydrophobicContact CG1-CD2 4.13Å; I280-Y299 HydrophobicContact CG1-CE1 4.27Å; I280-Y299 HydrophobicContact CG1-CE2 4.26Å; I280-Y299 HydrophobicContact CG1-CG 4.05Å; I280-Y299 HydrophobicContact CG2-CD1 4.21Å; I280-Y299 HydrophobicContact CG2-CE1 3.75Å |
| 281 | L | 92.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 52.5 Ų | 52.5 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -13.2 | 175 | -61.1 | 175.5 | 0 | 0 | 0 | 112.6 | K250 R257 D279 | K250-L281 HydrophobicContact CB-CD1 3.99Å; K250-L281 HydrophobicContact CB-CG 4.26Å; K250-L281 HydrophobicContact CG-CD1 4.31Å; K250-L281 HydrophobicContact CG-CD2 4.17Å; K250-L281 HydrophobicContact CG-CG 4.17Å; R257-L281 HydrophobicContact CB-CD1 4.2Å; D279-L281 PolarHBondContact O-N 3.34Å; D279-L281 VanDerWaalsContact OD1-CB 3.32Å; D279-L281 WeakPolarHBondContact OD1-CB 3.46Å; D279-L281 PolarHBondContact OD1-N 3.32Å |
| 282 | Q | 92.6 | Very high | 94 | Very high | 146 Ų | 146 | 56.7 Ų | 56.7 | 68% | 0.682 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -92.9 | -15.3 | 179.8 | -60.9 | -174.5 | 21.4 | 0 | 0 | 112.7 | D279 I280 | D279-Q282 HydrophobicContact CB-CG 4.17Å; D279-Q282 PolarHBondContact O-N 2.99Å; D279-Q282 VanDerWaalsContact O-N 3.11Å; D279-Q282 PolarHBondContact OD2-NE2 3.47Å; I280-Q282 VanDerWaalsContact C-N 3.3Å |
| 283 | D | 90.8 | Very high | 94 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | trans | -139.1 | 95.3 | -179 | -169.6 | -28.4 | 0 | 0 | 0 | 110.2 | R235 F278 E285 V286 R287 | R235-D283 IonicContact CZ-OD2 3.53Å; R235-D283 IonicContact NH2-OD1 2.76Å; R235-D283 PolarHBondContact NH2-OD1 3.15Å; R235-D283 IonicContact NH2-OD2 2.8Å; R235-D283 PolarHBondContact NH2-OD2 2.79Å; F278-D283 HydrophobicContact CE1-CB 4.12Å; F278-D283 HydrophobicContact CZ-CB 3.95Å; D283-E285 VanDerWaalsContact C-N 3.26Å; D283-E285 PolarHBondContact O-N 3.14Å; D283-E285 WeakPolarHBondContact OD1-CB 3.39Å; D283-E285 PolarHBondContact OD1-N 2.94Å; D283-E285 VanDerWaalsContact OD1-N 3.16Å; D283-V286 HydrophobicContact CB-CB 4.02Å; D283-V286 HydrophobicContact CB-CG2 4.26Å; D283-V286 VanDerWaalsContact CG-CG2 3.42Å; D283-V286 PolarHBondContact O-N 2.91Å; D283-V286 PolarHBondContact OD1-N 3.32Å; D283-V286 WeakPolarHBondContact OD2-CG2 3.27Å; D283-R287 VanDerWaalsContact O-CB 3.31Å; D283-R287 WeakPolarHBondContact O-CB 3.21Å; D283-R287 PolarHBondContact O-N 3.42Å | ||
| 284 | E | 90.4 | Very high | 94 | Very high | 93 Ų | 93 | 57.7 Ų | 57.7 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.2 | -27.7 | -177.9 | -170 | 60.8 | -148.9 | 0 | 0 | 112.1 | R287 Q288 | E284-R287 WeakPolarHBondContact O-CB 2.94Å; E284-R287 PolarHBondContact O-N 3.33Å; E284-R287 IonicContact OE1-NH1 3.29Å; E284-R287 VanDerWaalsContact OE2-CD 3.26Å; E284-R287 WeakPolarHBondContact OE2-CD 3.34Å; E284-R287 IonicContact OE2-CZ 3.5Å; E284-R287 IonicContact OE2-NE 3.75Å; E284-R287 IonicContact OE2-NH1 3.49Å; E284-R287 PolarHBondContact OE2-NH1 2.81Å; E284-Q288 WeakPolarHBondContact O-CG 3.11Å; E284-Q288 PolarHBondContact O-N 2.86Å; E284-Q288 PolarHBondContact OE1-NE2 2.79Å |
| 285 | E | 90.1 | Very high | 94 | Very high | 100 Ų | 100 | 57.5 Ų | 57.5 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.7 | -46.5 | 178.4 | -164.2 | -172.3 | 174 | 0 | 0 | 110.7 | L232 R235 D283 R287 Q288 G289 | L232-E285 HydrophobicContact CD1-CG 3.81Å; L232-E285 HydrophobicContact CD2-CG 4.19Å; R235-E285 IonicContact CZ-OE2 2.68Å; R235-E285 IonicContact NH1-OE1 3.66Å; R235-E285 IonicContact NH1-OE2 2.82Å; R235-E285 PolarHBondContact NH1-OE2 3.48Å; R235-E285 IonicContact NH2-OE2 3.93Å; R235-E285 PolarHBondContact NH2-OE2 3.23Å; D283-E285 VanDerWaalsContact C-N 3.26Å; D283-E285 PolarHBondContact O-N 3.14Å; D283-E285 WeakPolarHBondContact OD1-CB 3.39Å; D283-E285 PolarHBondContact OD1-N 2.94Å; D283-E285 VanDerWaalsContact OD1-N 3.16Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 2.92Å; E285-Q288 PolarHBondContact O-N 2.84Å; E285-G289 WeakPolarHBondContact O-CA 3.23Å; E285-G289 PolarHBondContact O-N 2.8Å |
| 286 | V | 93 | Very high | 93.9 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 171.3 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | L236 F248 F278 D283 Q288 G289 L290 | L236-V286 HydrophobicContact CD2-CB 4.2Å; L236-V286 HydrophobicContact CD2-CG1 4.02Å; L236-V286 HydrophobicContact CD2-CG2 4.15Å; F248-V286 HydrophobicContact CE1-CG1 4.37Å; F278-V286 HydrophobicContact CD1-CG1 4.39Å; F278-V286 HydrophobicContact CE1-CB 4.24Å; F278-V286 HydrophobicContact CE1-CG1 3.73Å; F278-V286 HydrophobicContact CZ-CB 4.29Å; F278-V286 HydrophobicContact CZ-CG1 3.99Å; F278-V286 HydrophobicContact CZ-CG2 4.34Å; D283-V286 HydrophobicContact CB-CB 4.02Å; D283-V286 HydrophobicContact CB-CG2 4.26Å; D283-V286 VanDerWaalsContact CG-CG2 3.42Å; D283-V286 PolarHBondContact O-N 2.91Å; D283-V286 PolarHBondContact OD1-N 3.32Å; D283-V286 WeakPolarHBondContact OD2-CG2 3.27Å; V286-Q288 PolarHBondContact O-N 2.97Å; V286-G289 PolarHBondContact O-N 3.39Å; V286-L290 HydrophobicContact CG1-CD1 3.72Å; V286-L290 HydrophobicContact CG1-CG 4.31Å; V286-L290 VanDerWaalsContact O-CB 3.31Å; V286-L290 WeakPolarHBondContact O-CB 3.47Å; V286-L290 PolarHBondContact O-N 2.95Å |
| 287 | R | 94.2 | Very high | 93.7 | Very high | 60 Ų | 60 | 61 Ų | 61 | 23% | 0.226 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -47.1 | -179.9 | -177.7 | -172.2 | 179 | -172.4 | -2.3 | 113.2 | I280 D283 E284 E285 Y299 | I280-R287 HydrophobicContact CB-CB 4.11Å; I280-R287 HydrophobicContact CB-CG 4.14Å; I280-R287 HydrophobicContact CD1-CG 3.97Å; I280-R287 HydrophobicContact CG1-CG 4.32Å; D283-R287 VanDerWaalsContact O-CB 3.31Å; D283-R287 WeakPolarHBondContact O-CB 3.21Å; D283-R287 PolarHBondContact O-N 3.42Å; E284-R287 WeakPolarHBondContact O-CB 2.94Å; E284-R287 PolarHBondContact O-N 3.33Å; E284-R287 IonicContact OE1-NH1 3.29Å; E284-R287 VanDerWaalsContact OE2-CD 3.26Å; E284-R287 WeakPolarHBondContact OE2-CD 3.34Å; E284-R287 IonicContact OE2-CZ 3.5Å; E284-R287 IonicContact OE2-NE 3.75Å; E284-R287 IonicContact OE2-NH1 3.49Å; E284-R287 PolarHBondContact OE2-NH1 2.81Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 2.92Å; R287-Y299 WeakPolarHBondContact CA-OH 3.33Å; R287-Y299 HydrophobicContact CG-CE2 3.83Å; R287-Y299 PolarHBondContact O-OH 3.2Å |
| 288 | Q | 93.1 | Very high | 93.5 | Very high | 84 Ų | 84 | 63.3 Ų | 63.3 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -76.8 | -38.7 | 178.3 | -61.5 | -59 | -21.4 | 0 | 0 | 110.8 | E284 E285 V286 L290 K291 | E284-Q288 WeakPolarHBondContact O-CG 3.11Å; E284-Q288 PolarHBondContact O-N 2.86Å; E284-Q288 PolarHBondContact OE1-NE2 2.79Å; E285-Q288 PolarHBondContact O-N 2.84Å; V286-Q288 PolarHBondContact O-N 2.97Å; Q288-L290 PolarHBondContact O-N 2.95Å; Q288-K291 PolarHBondContact O-N 3.26Å |
| 289 | G | 93.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L236 E285 V286 K291 T292 Y293 | L236-G289 VanDerWaalsContact CD1-C 3.48Å; E285-G289 WeakPolarHBondContact O-CA 3.23Å; E285-G289 PolarHBondContact O-N 2.8Å; V286-G289 PolarHBondContact O-N 3.39Å; G289-K291 VanDerWaalsContact C-N 3.32Å; G289-K291 PolarHBondContact O-N 2.95Å; G289-T292 PolarHBondContact O-N 3.4Å; G289-Y293 VanDerWaalsContact O-CB 3.3Å; G289-Y293 WeakPolarHBondContact O-CB 3.21Å; G289-Y293 PolarHBondContact O-N 3.35Å |
| 290 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -36.7 | -179.5 | -95.2 | 168.2 | 0 | 0 | 0 | 112.8 | L236 I240 F248 V286 Q288 T292 Y293 S294 Y299 Y303 | L236-L290 HydrophobicContact CD2-CG 3.95Å; I240-L290 HydrophobicContact CD1-CD2 3.79Å; I240-L290 HydrophobicContact CG1-CD2 3.97Å; F248-L290 HydrophobicContact CB-CD1 4.16Å; F248-L290 HydrophobicContact CD1-CD1 3.21Å; F248-L290 HydrophobicContact CD2-CD1 4.06Å; F248-L290 HydrophobicContact CE1-CD1 3.49Å; F248-L290 VanDerWaalsContact CE1-CD1 3.49Å; F248-L290 HydrophobicContact CE2-CD1 4.28Å; F248-L290 HydrophobicContact CG-CD1 3.52Å; F248-L290 HydrophobicContact CZ-CD1 4.02Å; V286-L290 HydrophobicContact CG1-CD1 3.72Å; V286-L290 HydrophobicContact CG1-CG 4.31Å; V286-L290 VanDerWaalsContact O-CB 3.31Å; V286-L290 WeakPolarHBondContact O-CB 3.47Å; V286-L290 PolarHBondContact O-N 2.95Å; Q288-L290 PolarHBondContact O-N 2.95Å; L290-T292 VanDerWaalsContact C-N 3.32Å; L290-T292 PolarHBondContact O-N 3.46Å; L290-Y293 PolarHBondContact O-N 3.43Å; L290-S294 WeakPolarHBondContact O-CB 3.44Å; L290-S294 PolarHBondContact O-N 2.92Å; L290-S294 PolarHBondContact O-OG 2.99Å; L290-Y299 WeakPolarHBondContact CB-OH 3.43Å; L290-Y299 HydrophobicContact CD1-CE1 4.34Å; L290-Y303 HydrophobicContact CD2-CE2 4.24Å; L290-Y303 WeakPolarHBondContact CD2-OH 3.47Å |
| 291 | K | 94.4 | Very high | 93.7 | Very high | 53 Ų | 53 | 61.8 Ų | 61.8 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.2 | -66.7 | 175.6 | -172.1 | 163.9 | 0 | 111.6 | Q288 G289 N295 W296 Y299 | Q288-K291 PolarHBondContact O-N 3.26Å; G289-K291 VanDerWaalsContact C-N 3.32Å; G289-K291 PolarHBondContact O-N 2.95Å; K291-N295 WeakPolarHBondContact O-CA 3.4Å; K291-N295 PolarHBondContact O-N 2.95Å; K291-N295 VanDerWaalsContact O-N 3.15Å; K291-W296 VanDerWaalsContact CA-O 3.28Å; K291-W296 WeakPolarHBondContact CA-O 3.09Å; K291-W296 PolarHBondContact O-N 3.3Å; K291-W296 VanDerWaalsContact O-N 3.08Å; K291-Y299 HydrophobicContact CG-CE2 4.05Å |
| 292 | T | 92.8 | Very high | 93.9 | Very high | 121 Ų | 121 | 58.7 Ų | 58.7 | 74% | 0.742 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -71.9 | -45.3 | 179 | -50.9 | 0 | 0 | 0 | 0 | 110.8 | G289 L290 S294 N295 | G289-T292 PolarHBondContact O-N 3.4Å; L290-T292 VanDerWaalsContact C-N 3.32Å; L290-T292 PolarHBondContact O-N 3.46Å; T292-S294 PolarHBondContact O-N 3.48Å; T292-N295 PolarHBondContact O-N 2.9Å |
| 293 | Y | 93.1 | Very high | 94.2 | Very high | 93 Ų | 93 | 52 Ų | 52 | 37% | 0.365 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | -178.6 | 178.8 | -92.4 | 0 | 0 | 0 | 112.9 | E233 L236 K237 I240 G289 L290 | E233-Y293 HydrophobicContact CG-CD2 3.93Å; E233-Y293 HydrophobicContact CG-CE2 3.63Å; L236-Y293 HydrophobicContact CD1-CD2 4.13Å; L236-Y293 HydrophobicContact CD1-CG 3.88Å; K237-Y293 WeakPolarHBondContact CE-OH 3.11Å; K237-Y293 HydrophobicContact CG-CE2 4.29Å; K237-Y293 VanDerWaalsContact CG-OH 3.28Å; K237-Y293 WeakPolarHBondContact CG-OH 3.38Å; I240-Y293 HydrophobicContact CD1-CD1 3.91Å; I240-Y293 HydrophobicContact CD1-CE1 3.56Å; G289-Y293 VanDerWaalsContact O-CB 3.3Å; G289-Y293 WeakPolarHBondContact O-CB 3.21Å; G289-Y293 PolarHBondContact O-N 3.35Å; L290-Y293 PolarHBondContact O-N 3.43Å |
| 294 | S | 94.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -88.5 | -8.5 | -178.8 | 67.6 | 0 | 0 | 0 | 0 | 114 | L290 T292 W296 Q301 Y303 | L290-S294 WeakPolarHBondContact O-CB 3.44Å; L290-S294 PolarHBondContact O-N 2.92Å; L290-S294 PolarHBondContact O-OG 2.99Å; T292-S294 PolarHBondContact O-N 3.48Å; S294-W296 PolarHBondContact O-N 3.12Å; S294-W296 VanDerWaalsContact OG-CB 3.27Å; S294-W296 WeakPolarHBondContact OG-CB 3.32Å; S294-W296 PolarHBondContact OG-N 3.36Å; S294-Q301 PolarHBondContact OG-OE1 3.34Å; S294-Y303 WeakPolarHBondContact CB-OH 3.34Å |
| 295 | N | 94.9 | Very high | 94.7 | Very high | 148 Ų | 148 | 51.1 Ų | 51.1 | 79% | 0.791 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 35.6 | -166.2 | -165.8 | 36.3 | 0 | 0 | 0 | 112.8 | K291 T292 | K291-N295 WeakPolarHBondContact O-CA 3.4Å; K291-N295 PolarHBondContact O-N 2.95Å; K291-N295 VanDerWaalsContact O-N 3.15Å; T292-N295 PolarHBondContact O-N 2.9Å |
| 296 | W | 95.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 22% | 0.223 | 25% | 0.249 | C | C | . | . | trans | -122.6 | 120.3 | -178 | -163.1 | -82.1 | 0 | 0 | 0 | 111.6 | K291 S294 T298 Q301 L308 G311 I314 | K291-W296 VanDerWaalsContact CA-O 3.28Å; K291-W296 WeakPolarHBondContact CA-O 3.09Å; K291-W296 PolarHBondContact O-N 3.3Å; K291-W296 VanDerWaalsContact O-N 3.08Å; S294-W296 PolarHBondContact O-N 3.12Å; S294-W296 VanDerWaalsContact OG-CB 3.27Å; S294-W296 WeakPolarHBondContact OG-CB 3.32Å; S294-W296 PolarHBondContact OG-N 3.36Å; W296-T298 VanDerWaalsContact CD1-O 3.29Å; W296-T298 PolarHBondContact NE1-OG1 3.11Å; W296-T298 PolarHBondContact O-N 3.42Å; W296-Q301 PolarHBondContact O-NE2 2.92Å; W296-Q301 VanDerWaalsContact O-NE2 3.15Å; W296-L308 HydrophobicContact CB-CD2 4Å; W296-L308 HydrophobicContact CD2-CD2 4.06Å; W296-L308 HydrophobicContact CE3-CD2 3.64Å; W296-L308 HydrophobicContact CG-CD2 4.24Å; W296-L308 HydrophobicContact CZ3-CD2 4.42Å; W296-G311 VanDerWaalsContact CZ2-N 3.32Å; W296-I314 HydrophobicContact CH2-CD1 4.48Å; W296-I314 HydrophobicContact CH2-CG1 3.82Å; W296-I314 HydrophobicContact CZ2-CG1 4.37Å | ||
| 297 | P | 91.8 | Very high | 95.1 | Very high | 96 Ų | 96 | 52.6 Ų | 52.6 | 62% | 0.623 | 27% | 0.273 | S | S | * | . | trans | -78.5 | -21.1 | -165.2 | 27.6 | -33.9 | 0 | 0 | 0 | 115 | ||||
| 298 | T | 93.8 | Very high | 95.2 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 49% | 0.485 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -122.6 | 168.5 | -166.8 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | W296 Q301 | W296-T298 VanDerWaalsContact CD1-O 3.29Å; W296-T298 PolarHBondContact NE1-OG1 3.11Å; W296-T298 PolarHBondContact O-N 3.42Å; T298-Q301 WeakPolarHBondContact O-CG 3.38Å; T298-Q301 PolarHBondContact O-NE2 3.1Å |
| 299 | Y | 95.9 | Very high | 95.4 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 9% | 0.09 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -124.7 | 149.8 | 171.1 | -71.5 | -79.8 | 0 | 0 | 0 | 109 | F248 I280 R287 L290 K291 Q301 | F248-Y299 HydrophobicContact CB-CD1 4.09Å; F248-Y299 HydrophobicContact CB-CE1 3.86Å; I280-Y299 HydrophobicContact CB-CE1 4.47Å; I280-Y299 HydrophobicContact CD1-CD2 4.41Å; I280-Y299 HydrophobicContact CG1-CD1 4.12Å; I280-Y299 HydrophobicContact CG1-CD2 4.13Å; I280-Y299 HydrophobicContact CG1-CE1 4.27Å; I280-Y299 HydrophobicContact CG1-CE2 4.26Å; I280-Y299 HydrophobicContact CG1-CG 4.05Å; I280-Y299 HydrophobicContact CG2-CD1 4.21Å; I280-Y299 HydrophobicContact CG2-CE1 3.75Å; R287-Y299 WeakPolarHBondContact CA-OH 3.33Å; R287-Y299 HydrophobicContact CG-CE2 3.83Å; R287-Y299 PolarHBondContact O-OH 3.2Å; L290-Y299 WeakPolarHBondContact CB-OH 3.43Å; L290-Y299 HydrophobicContact CD1-CE1 4.34Å; K291-Y299 HydrophobicContact CG-CE2 4.05Å; Y299-Q301 HydrophobicContact CD1-CB 4.31Å; Y299-Q301 HydrophobicContact CD1-CG 3.83Å; Y299-Q301 HydrophobicContact CE1-CB 4.47Å; Y299-Q301 HydrophobicContact CE1-CG 4.01Å |
| 300 | P | 97.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | cis | -72.9 | 156.3 | 8.1 | 29.5 | -35.5 | 0 | 0 | 0 | 114.7 | L247 F248 M249 I264 G311 L312 | L247-P300 HydrophobicContact CD1-CB 3.83Å; F248-P300 CarbonylContact O-C 3.5Å; F248-P300 VanDerWaalsContact O-CA 3.24Å; F248-P300 WeakPolarHBondContact O-CA 3.24Å; M249-P300 HydrophobicContact CB-CB 4.15Å; I264-P300 HydrophobicContact CB-CG 4.19Å; I264-P300 HydrophobicContact CD1-CB 4.2Å; I264-P300 HydrophobicContact CD1-CG 3.97Å; I264-P300 HydrophobicContact CG2-CB 3.99Å; I264-P300 HydrophobicContact CG2-CG 3.77Å; P300-G311 WeakPolarHBondContact O-CA 3.5Å; P300-L312 HydrophobicContact CG-CB 4.18Å | ||
| 301 | Q | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.1 | 171.7 | -63 | -176.6 | 7.5 | 0 | 0 | 109.5 | F248 S294 W296 T298 Y299 Y303 L308 | F248-Q301 HydrophobicContact CB-CB 4.45Å; F248-Q301 PolarHBondContact N-O 3.18Å; F248-Q301 PolarHBondContact O-N 3.19Å; S294-Q301 PolarHBondContact OG-OE1 3.34Å; W296-Q301 PolarHBondContact O-NE2 2.92Å; W296-Q301 VanDerWaalsContact O-NE2 3.15Å; T298-Q301 WeakPolarHBondContact O-CG 3.38Å; T298-Q301 PolarHBondContact O-NE2 3.1Å; Y299-Q301 HydrophobicContact CD1-CB 4.31Å; Y299-Q301 HydrophobicContact CD1-CG 3.83Å; Y299-Q301 HydrophobicContact CE1-CB 4.47Å; Y299-Q301 HydrophobicContact CE1-CG 4.01Å; Q301-Y303 HydrophobicContact CB-CE2 3.88Å; Q301-Y303 PolarHBondContact OE1-OH 3.03Å; Q301-L308 HydrophobicContact CB-CD1 4.09Å |
| 302 | L | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.5 | 179.1 | -179.9 | 66.7 | 0 | 0 | 0 | 110.5 | V245 L247 I264 L268 I309 G310 V315 L328 | V245-L302 HydrophobicContact CG1-CD1 3.8Å; L247-L302 HydrophobicContact CB-CD1 4.3Å; L247-L302 HydrophobicContact CD1-CB 4.38Å; L247-L302 HydrophobicContact CD1-CD1 4.44Å; I264-L302 HydrophobicContact CD1-CB 4.45Å; L268-L302 HydrophobicContact CD1-CD1 4.06Å; L268-L302 HydrophobicContact CD2-CD2 4.13Å; L302-I309 HydrophobicContact CD2-CB 4.43Å; L302-I309 HydrophobicContact CD2-CG2 4.48Å; L302-I309 HydrophobicContact CG-CB 4.45Å; L302-I309 PolarHBondContact O-N 3.42Å; L302-G310 PolarHBondContact N-O 3.46Å; L302-G310 PolarHBondContact O-N 3.13Å; L302-V315 HydrophobicContact CB-CG2 4.32Å; L302-V315 HydrophobicContact CD2-CG2 3.55Å; L302-L328 HydrophobicContact CD2-CD2 3.98Å |
| 303 | Y | 98.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.9 | 175.8 | -70.3 | -100.3 | 0 | 0 | 0 | 111.2 | I240 V245 M246 F248 L290 S294 Q301 E307 L308 | I240-Y303 HydrophobicContact CB-CD1 4.47Å; I240-Y303 HydrophobicContact CD1-CD1 4.29Å; I240-Y303 HydrophobicContact CD1-CE1 3.77Å; I240-Y303 HydrophobicContact CG1-CD1 4.19Å; I240-Y303 HydrophobicContact CG1-CE1 4.05Å; I240-Y303 HydrophobicContact CG1-CE2 4.41Å; I240-Y303 HydrophobicContact CG1-CG 4.43Å; I240-Y303 HydrophobicContact CG2-CD1 3.45Å; I240-Y303 VanDerWaalsContact CG2-CD1 3.45Å; I240-Y303 HydrophobicContact CG2-CE1 4.05Å; I240-Y303 HydrophobicContact CG2-CG 3.77Å; V245-Y303 WeakPolarHBondContact CA-O 3.43Å; M246-Y303 PolarHBondContact N-O 3.27Å; M246-Y303 PolarHBondContact O-N 3.42Å; F248-Y303 AromaticContact CD2-CD2 3.69Å; F248-Y303 HydrophobicContact CD2-CD2 3.69Å; F248-Y303 AromaticContact CD2-CE2 3.78Å; F248-Y303 HydrophobicContact CD2-CE2 3.78Å; F248-Y303 AromaticContact CE2-CD2 3.88Å; F248-Y303 HydrophobicContact CE2-CD2 3.88Å; F248-Y303 HydrophobicContact CE2-CE2 4.08Å; L290-Y303 HydrophobicContact CD2-CE2 4.24Å; L290-Y303 WeakPolarHBondContact CD2-OH 3.47Å; S294-Y303 WeakPolarHBondContact CB-OH 3.34Å; Q301-Y303 HydrophobicContact CB-CE2 3.88Å; Q301-Y303 PolarHBondContact OE1-OH 3.03Å; Y303-E307 CarbonylContact C-O 3.59Å; Y303-E307 WeakPolarHBondContact CA-O 3.24Å; Y303-L308 HydrophobicContact CD1-CB 4.17Å; Y303-L308 HydrophobicContact CD2-CD1 4.37Å; Y303-L308 HydrophobicContact CE1-CB 3.77Å; Y303-L308 HydrophobicContact CE1-CD1 4.17Å; Y303-L308 HydrophobicContact CE2-CD1 3.88Å |
| 304 | V | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 120.2 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | P244 V245 G306 E307 I309 L328 K330 | P244-V304 CarbonylContact O-C 3.5Å; P244-V304 VanDerWaalsContact O-CA 3.3Å; P244-V304 WeakPolarHBondContact O-CA 3.31Å; V245-V304 HydrophobicContact CG1-CG2 4.38Å; V245-V304 HydrophobicContact CG2-CG2 4.35Å; V304-G306 VanDerWaalsContact C-N 3.28Å; V304-G306 PolarHBondContact O-N 3.38Å; V304-E307 PolarHBondContact N-O 3.14Å; V304-E307 PolarHBondContact O-N 2.96Å; V304-E307 VanDerWaalsContact O-N 3.09Å; V304-I309 HydrophobicContact CB-CD1 4.06Å; V304-I309 HydrophobicContact CB-CG1 3.94Å; V304-I309 HydrophobicContact CG2-CD1 4.14Å; V304-I309 HydrophobicContact CG2-CG1 3.56Å; V304-L328 HydrophobicContact CG2-CD2 3.98Å; V304-K330 HydrophobicContact CG1-CB 4.26Å; V304-K330 HydrophobicContact CG1-CD 4.45Å |
| 305 | K | 94.9 | Very high | 96.2 | Very high | 112 Ų | 112 | 43.9 Ų | 43.9 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 50.1 | -176 | -56.8 | -168.9 | -166.6 | 165.9 | 0 | 112.5 | P244 E307 K330 | P244-K305 PolarHBondContact O-N 3.14Å; K305-E307 VanDerWaalsContact C-N 3.34Å; K305-E307 PolarHBondContact O-N 3.34Å; K305-K330 HydrophobicContact CB-CD 3.98Å; K305-K330 HydrophobicContact CD-CB 4.18Å; K305-K330 HydrophobicContact CD-CD 3.61Å; K305-K330 HydrophobicContact CG-CD 3.97Å |
| 306 | G | 94.2 | Very high | 96.4 | Very high | 25 Ų | 25 | 40.4 Ų | 40.4 | 26% | 0.258 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -14.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | N241 V304 | N241-G306 WeakPolarHBondContact OD1-CA 3.24Å; V304-G306 VanDerWaalsContact C-N 3.28Å; V304-G306 PolarHBondContact O-N 3.38Å |
| 307 | E | 96.1 | Very high | 96.5 | Very high | 109 Ų | 109 | 43.5 Ų | 43.5 | 51% | 0.509 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.4 | -173.7 | -72.1 | 164.4 | -163 | 0 | 0 | 111.5 | Y303 V304 K305 I309 K330 | Y303-E307 CarbonylContact C-O 3.59Å; Y303-E307 WeakPolarHBondContact CA-O 3.24Å; V304-E307 PolarHBondContact N-O 3.14Å; V304-E307 PolarHBondContact O-N 2.96Å; V304-E307 VanDerWaalsContact O-N 3.09Å; K305-E307 VanDerWaalsContact C-N 3.34Å; K305-E307 PolarHBondContact O-N 3.34Å; E307-I309 PolarHBondContact O-N 2.82Å; E307-K330 IonicContact OE1-NZ 3.08Å; E307-K330 PolarHBondContact OE1-NZ 3.03Å; E307-K330 VanDerWaalsContact OE1-NZ 3.08Å; E307-K330 VanDerWaalsContact OE2-CE 3.3Å; E307-K330 WeakPolarHBondContact OE2-CE 3.49Å; E307-K330 IonicContact OE2-NZ 2.75Å; E307-K330 PolarHBondContact OE2-NZ 3Å |
| 308 | L | 97.3 | Very high | 96.7 | Very high | 54 Ų | 54 | 40.1 Ų | 40.1 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 122.4 | 174.8 | 177.6 | 72.4 | 0 | 0 | 0 | 109.3 | W296 Q301 Y303 | W296-L308 HydrophobicContact CB-CD2 4Å; W296-L308 HydrophobicContact CD2-CD2 4.06Å; W296-L308 HydrophobicContact CE3-CD2 3.64Å; W296-L308 HydrophobicContact CG-CD2 4.24Å; W296-L308 HydrophobicContact CZ3-CD2 4.42Å; Q301-L308 HydrophobicContact CB-CD1 4.09Å; Y303-L308 HydrophobicContact CD1-CB 4.17Å; Y303-L308 HydrophobicContact CD2-CD1 4.37Å; Y303-L308 HydrophobicContact CE1-CB 3.77Å; Y303-L308 HydrophobicContact CE1-CD1 4.17Å; Y303-L308 HydrophobicContact CE2-CD1 3.88Å |
| 309 | I | 97.5 | Very high | 96.8 | Very high | 41 Ų | 41 | 42 Ų | 42 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -42.8 | 169.4 | -58.2 | -51.3 | 0 | 0 | 0 | 110.3 | L302 V304 E307 L318 V327 | L302-I309 HydrophobicContact CD2-CB 4.43Å; L302-I309 HydrophobicContact CD2-CG2 4.48Å; L302-I309 HydrophobicContact CG-CB 4.45Å; L302-I309 PolarHBondContact O-N 3.42Å; V304-I309 HydrophobicContact CB-CD1 4.06Å; V304-I309 HydrophobicContact CB-CG1 3.94Å; V304-I309 HydrophobicContact CG2-CD1 4.14Å; V304-I309 HydrophobicContact CG2-CG1 3.56Å; E307-I309 PolarHBondContact O-N 2.82Å; I309-L318 HydrophobicContact CG2-CD1 3.63Å; I309-V327 HydrophobicContact CD1-CG1 3.68Å; I309-V327 HydrophobicContact CG1-CG1 4.06Å; I309-V327 HydrophobicContact CG2-CG1 4.06Å |
| 310 | G | 96.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.5 | -163 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L302 | L302-G310 PolarHBondContact N-O 3.46Å; L302-G310 PolarHBondContact O-N 3.13Å |
| 311 | G | 96.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | trans | -89.4 | -169.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W296 P300 D313 I314 V315 | W296-G311 VanDerWaalsContact CZ2-N 3.32Å; P300-G311 WeakPolarHBondContact O-CA 3.5Å; G311-D313 VanDerWaalsContact C-N 3.29Å; G311-D313 PolarHBondContact O-N 3.13Å; G311-I314 PolarHBondContact O-N 2.96Å; G311-V315 WeakPolarHBondContact O-CG2 3.41Å; G311-V315 PolarHBondContact O-N 3.17Å; G311-V315 VanDerWaalsContact O-N 3.09Å | ||
| 312 | L | 96.8 | Very high | 96.5 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 179.6 | 173 | 67.3 | 0 | 0 | 0 | 113.3 | F260 Q263 I264 I267 P300 V315 K316 | F260-L312 HydrophobicContact CB-CD2 4.01Å; F260-L312 HydrophobicContact CD1-CD2 3.63Å; F260-L312 HydrophobicContact CG-CD2 4.3Å; Q263-L312 HydrophobicContact CB-CD1 3.87Å; Q263-L312 HydrophobicContact CB-CD2 3.95Å; I264-L312 HydrophobicContact CB-CD1 3.82Å; I267-L312 HydrophobicContact CD1-CD1 3.93Å; P300-L312 HydrophobicContact CG-CB 4.18Å; L312-V315 PolarHBondContact O-N 2.76Å; L312-K316 HydrophobicContact CD1-CD 4.45Å; L312-K316 HydrophobicContact CD1-CG 4.29Å; L312-K316 HydrophobicContact CG-CD 4.31Å; L312-K316 WeakPolarHBondContact O-CG 3.27Å; L312-K316 PolarHBondContact O-N 3.47Å |
| 313 | D | 96.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 59.6 Ų | 59.6 | 52% | 0.524 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.2 | -52 | 177.4 | 51.3 | -22.2 | 0 | 0 | 0 | 111.7 | G311 V315 K316 E317 | G311-D313 VanDerWaalsContact C-N 3.29Å; G311-D313 PolarHBondContact O-N 3.13Å; D313-V315 VanDerWaalsContact C-N 3.32Å; D313-V315 PolarHBondContact O-N 2.87Å; D313-K316 WeakPolarHBondContact O-CB 3.31Å; D313-K316 PolarHBondContact O-N 2.73Å; D313-E317 PolarHBondContact O-N 3.19Å |
| 314 | I | 96.8 | Very high | 96.3 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 176.9 | -54.6 | -56.6 | 0 | 0 | 0 | 111 | W296 G311 K316 E317 L318 | W296-I314 HydrophobicContact CH2-CD1 4.48Å; W296-I314 HydrophobicContact CH2-CG1 3.82Å; W296-I314 HydrophobicContact CZ2-CG1 4.37Å; G311-I314 PolarHBondContact O-N 2.96Å; I314-K316 VanDerWaalsContact C-N 3.3Å; I314-K316 PolarHBondContact O-N 2.98Å; I314-E317 PolarHBondContact O-N 3.4Å; I314-L318 HydrophobicContact CG2-CD1 4.18Å; I314-L318 HydrophobicContact CG2-CG 4.42Å; I314-L318 WeakPolarHBondContact O-CG 3.38Å; I314-L318 PolarHBondContact O-N 3.49Å |
| 315 | V | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -33.7 | 178.2 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | I264 I267 L302 G311 L312 D313 K319 L324 | I264-V315 HydrophobicContact CD1-CB 4.31Å; I264-V315 HydrophobicContact CD1-CG1 4.43Å; I264-V315 HydrophobicContact CD1-CG2 3.95Å; I264-V315 HydrophobicContact CG1-CG1 4.25Å; I267-V315 HydrophobicContact CB-CG1 4.42Å; I267-V315 HydrophobicContact CD1-CG1 4.4Å; I267-V315 HydrophobicContact CG2-CG1 3.7Å; L302-V315 HydrophobicContact CB-CG2 4.32Å; L302-V315 HydrophobicContact CD2-CG2 3.55Å; G311-V315 WeakPolarHBondContact O-CG2 3.41Å; G311-V315 PolarHBondContact O-N 3.17Å; G311-V315 VanDerWaalsContact O-N 3.09Å; L312-V315 PolarHBondContact O-N 2.76Å; D313-V315 VanDerWaalsContact C-N 3.32Å; D313-V315 PolarHBondContact O-N 2.87Å; V315-K319 WeakPolarHBondContact O-CB 3.48Å; V315-K319 PolarHBondContact O-N 3.24Å; V315-K319 VanDerWaalsContact O-N 3.09Å; V315-L324 HydrophobicContact CG1-CD1 4.13Å; V315-L324 HydrophobicContact CG1-CD2 4.26Å |
| 316 | K | 97.4 | Very high | 96.1 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.3 | -45.2 | 172.6 | -78.3 | 177 | 179.2 | -177.6 | 0 | 111.4 | I267 L312 D313 I314 L318 K319 E320 | I267-K316 HydrophobicContact CD1-CG 3.63Å; L312-K316 HydrophobicContact CD1-CD 4.45Å; L312-K316 HydrophobicContact CD1-CG 4.29Å; L312-K316 HydrophobicContact CG-CD 4.31Å; L312-K316 WeakPolarHBondContact O-CG 3.27Å; L312-K316 PolarHBondContact O-N 3.47Å; D313-K316 WeakPolarHBondContact O-CB 3.31Å; D313-K316 PolarHBondContact O-N 2.73Å; I314-K316 VanDerWaalsContact C-N 3.3Å; I314-K316 PolarHBondContact O-N 2.98Å; K316-L318 PolarHBondContact O-N 2.94Å; K316-K319 WeakPolarHBondContact O-CB 3.49Å; K316-K319 PolarHBondContact O-N 3.37Å; K316-K319 VanDerWaalsContact O-N 3.11Å; K316-E320 WeakPolarHBondContact O-CG 3.32Å; K316-E320 PolarHBondContact O-N 3.39Å |
| 317 | E | 97.3 | Very high | 96.2 | Very high | 125 Ų | 125 | 60.2 Ų | 60.2 | 58% | 0.584 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59 | -47.3 | 177.3 | -173.2 | 175.7 | -179.3 | 0 | 0 | 111.3 | D313 I314 K319 E320 S321 | D313-E317 PolarHBondContact O-N 3.19Å; I314-E317 PolarHBondContact O-N 3.4Å; E317-K319 VanDerWaalsContact C-N 3.26Å; E317-K319 PolarHBondContact O-N 3.16Å; E317-E320 PolarHBondContact O-N 2.9Å; E317-E320 VanDerWaalsContact O-N 3.12Å; E317-S321 PolarHBondContact O-N 3.36Å; E317-S321 PolarHBondContact O-OG 3.23Å |
| 318 | L | 96.6 | Very high | 96.1 | Very high | 25 Ų | 25 | 55.2 Ų | 55.2 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -32.5 | 175.3 | -70.9 | 173.7 | 0 | 0 | 0 | 113.1 | I309 I314 K316 S321 G322 E323 L324 V327 | I309-L318 HydrophobicContact CG2-CD1 3.63Å; I314-L318 HydrophobicContact CG2-CD1 4.18Å; I314-L318 HydrophobicContact CG2-CG 4.42Å; I314-L318 WeakPolarHBondContact O-CG 3.38Å; I314-L318 PolarHBondContact O-N 3.49Å; K316-L318 PolarHBondContact O-N 2.94Å; L318-S321 PolarHBondContact O-OG 2.8Å; L318-G322 PolarHBondContact O-N 3.45Å; L318-E323 HydrophobicContact CD2-CB 4.15Å; L318-E323 PolarHBondContact O-N 3.49Å; L318-L324 HydrophobicContact CB-CB 3.99Å; L318-L324 HydrophobicContact CB-CD1 4.14Å; L318-L324 HydrophobicContact CD1-CD1 4.38Å; L318-L324 PolarHBondContact O-N 3.35Å; L318-V327 HydrophobicContact CD1-CG1 4.35Å; L318-V327 HydrophobicContact CD1-CG2 4.44Å; L318-V327 HydrophobicContact CD2-CG2 4.2Å |
| 319 | K | 95.9 | Very high | 95.8 | Very high | 117 Ų | 117 | 57.7 Ų | 57.7 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70 | -42.4 | 174.8 | -173.9 | -173.1 | -177 | 175.6 | 0 | 110.9 | I267 V315 K316 E317 G322 L324 | I267-K319 HydrophobicContact CB-CD 4.49Å; I267-K319 HydrophobicContact CG1-CD 4.07Å; I267-K319 HydrophobicContact CG2-CB 4.42Å; I267-K319 HydrophobicContact CG2-CD 3.86Å; I267-K319 HydrophobicContact CG2-CG 4.47Å; V315-K319 WeakPolarHBondContact O-CB 3.48Å; V315-K319 PolarHBondContact O-N 3.24Å; V315-K319 VanDerWaalsContact O-N 3.09Å; K316-K319 WeakPolarHBondContact O-CB 3.49Å; K316-K319 PolarHBondContact O-N 3.37Å; K316-K319 VanDerWaalsContact O-N 3.11Å; E317-K319 VanDerWaalsContact C-N 3.26Å; E317-K319 PolarHBondContact O-N 3.16Å; K319-G322 PolarHBondContact O-N 3.19Å; K319-L324 HydrophobicContact CB-CD2 4.07Å; K319-L324 HydrophobicContact CG-CD2 4.48Å |
| 320 | E | 95.7 | Very high | 94.9 | Very high | 165 Ų | 165 | 58.6 Ų | 58.6 | 77% | 0.771 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69 | -35.7 | 179.5 | -72.1 | 172.5 | -169.4 | 0 | 0 | 111.9 | K316 E317 G322 | K316-E320 WeakPolarHBondContact O-CG 3.32Å; K316-E320 PolarHBondContact O-N 3.39Å; E317-E320 PolarHBondContact O-N 2.9Å; E317-E320 VanDerWaalsContact O-N 3.12Å; E320-G322 VanDerWaalsContact C-N 3.3Å |
| 321 | S | 96 | Very high | 93.1 | Very high | 66 Ų | 66 | 65.1 Ų | 65.1 | 46% | 0.462 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -75.2 | -17.6 | 173.8 | 73.8 | 0 | 0 | 0 | 0 | 113.6 | E317 L318 E323 | E317-S321 PolarHBondContact O-N 3.36Å; E317-S321 PolarHBondContact O-OG 3.23Å; L318-S321 PolarHBondContact O-OG 2.8Å; S321-E323 VanDerWaalsContact C-N 3.34Å; S321-E323 WeakPolarHBondContact CB-OE2 3.28Å; S321-E323 WeakPolarHBondContact OG-CB 3.28Å; S321-E323 WeakPolarHBondContact OG-CG 3.45Å; S321-E323 PolarHBondContact OG-N 3.21Å; S321-E323 PolarHBondContact OG-OE2 3.11Å |
| 322 | G | 94.2 | Very high | 90.6 | Very high | 60 Ų | 60 | 73.7 Ų | 73.7 | 62% | 0.619 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 5.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L318 K319 E320 | L318-G322 PolarHBondContact O-N 3.45Å; K319-G322 PolarHBondContact O-N 3.19Å; E320-G322 VanDerWaalsContact C-N 3.3Å |
| 323 | E | 95.5 | Very high | 90.2 | Very high | 106 Ų | 106 | 76.6 Ų | 76.6 | 50% | 0.495 | 42% | 0.416 | S | S | . | . | trans | -89.3 | -9.7 | -177 | -63.5 | 169.6 | 135.1 | 0 | 0 | 113.3 | L318 S321 V325 S326 V327 | L318-E323 HydrophobicContact CD2-CB 4.15Å; L318-E323 PolarHBondContact O-N 3.49Å; S321-E323 VanDerWaalsContact C-N 3.34Å; S321-E323 WeakPolarHBondContact CB-OE2 3.28Å; S321-E323 WeakPolarHBondContact OG-CB 3.28Å; S321-E323 WeakPolarHBondContact OG-CG 3.45Å; S321-E323 PolarHBondContact OG-N 3.21Å; S321-E323 PolarHBondContact OG-OE2 3.11Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 2.75Å; E323-S326 PolarHBondContact O-N 3.34Å; E323-S326 PolarHBondContact O-OG 3.12Å; E323-V327 WeakPolarHBondContact O-CG2 3.35Å; E323-V327 PolarHBondContact O-N 3.46Å | ||
| 324 | L | 95.4 | Very high | 89.9 | Confident | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.026 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -55.5 | -45.2 | -174.6 | -179.5 | 61.5 | 0 | 0 | 0 | 113 | I267 T271 V315 L318 K319 V327 L328 | I267-L324 HydrophobicContact CG2-CD2 3.46Å; I267-L324 VanDerWaalsContact CG2-CD2 3.46Å; T271-L324 HydrophobicContact CG2-CD2 3.72Å; T271-L324 HydrophobicContact CG2-CG 4.2Å; V315-L324 HydrophobicContact CG1-CD1 4.13Å; V315-L324 HydrophobicContact CG1-CD2 4.26Å; L318-L324 HydrophobicContact CB-CB 3.99Å; L318-L324 HydrophobicContact CB-CD1 4.14Å; L318-L324 HydrophobicContact CD1-CD1 4.38Å; L318-L324 PolarHBondContact O-N 3.35Å; K319-L324 HydrophobicContact CB-CD2 4.07Å; K319-L324 HydrophobicContact CG-CD2 4.48Å; L324-V327 PolarHBondContact O-N 2.98Å; L324-L328 HydrophobicContact CD1-CD1 4.05Å; L324-L328 HydrophobicContact CD1-CD2 4.47Å; L324-L328 HydrophobicContact CD1-CG 4.02Å; L324-L328 HydrophobicContact CG-CD1 3.91Å; L324-L328 HydrophobicContact CG-CG 4.29Å; L324-L328 WeakPolarHBondContact O-CB 3.39Å; L324-L328 WeakPolarHBondContact O-CG 3.36Å; L324-L328 PolarHBondContact O-N 3.38Å |
| 325 | V | 95 | Very high | 89.5 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 36% | 0.358 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.6 | -39.5 | -176 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | T271 V273 E323 L328 K329 | T271-V325 HydrophobicContact CG2-CG2 4.36Å; V273-V325 HydrophobicContact CG2-CG1 4.45Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 2.75Å; V325-L328 PolarHBondContact O-N 2.83Å; V325-K329 HydrophobicContact CG1-CD 4.19Å; V325-K329 WeakPolarHBondContact O-CG 3.4Å; V325-K329 PolarHBondContact O-N 3.28Å |
| 326 | S | 94.2 | Very high | 89.1 | Confident | 52 Ų | 52 | 81.4 Ų | 81.4 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 177.4 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | E323 K329 K330 E331 | E323-S326 PolarHBondContact O-N 3.34Å; E323-S326 PolarHBondContact O-OG 3.12Å; S326-K329 PolarHBondContact O-N 2.91Å; S326-K330 WeakPolarHBondContact O-CA 3.43Å; S326-K330 PolarHBondContact O-N 2.98Å; S326-E331 PolarHBondContact O-N 3.06Å |
| 327 | V | 95 | Very high | 88.6 | Confident | 41 Ų | 41 | 81.9 Ų | 81.9 | 25% | 0.248 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 173.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | I309 L318 E323 L324 K329 K330 | I309-V327 HydrophobicContact CD1-CG1 3.68Å; I309-V327 HydrophobicContact CG1-CG1 4.06Å; I309-V327 HydrophobicContact CG2-CG1 4.06Å; L318-V327 HydrophobicContact CD1-CG1 4.35Å; L318-V327 HydrophobicContact CD1-CG2 4.44Å; L318-V327 HydrophobicContact CD2-CG2 4.2Å; E323-V327 WeakPolarHBondContact O-CG2 3.35Å; E323-V327 PolarHBondContact O-N 3.46Å; L324-V327 PolarHBondContact O-N 2.98Å; V327-K329 PolarHBondContact O-N 2.72Å; V327-K330 PolarHBondContact O-N 2.99Å; V327-K330 VanDerWaalsContact O-N 3.1Å |
| 328 | L | 94.6 | Very high | 88 | Confident | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.026 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.7 | -37.9 | -178.4 | -71.6 | 176.6 | 0 | 0 | 0 | 113.2 | V245 L268 T271 V273 L302 V304 L324 V325 K330 | V245-L328 HydrophobicContact CG1-CD2 3.72Å; V245-L328 HydrophobicContact CG2-CD2 4.4Å; V245-L328 WeakPolarHBondContact CG2-O 3.43Å; L268-L328 HydrophobicContact CD2-CD1 3.88Å; L268-L328 HydrophobicContact CD2-CD2 4.06Å; T271-L328 HydrophobicContact CG2-CD1 3.86Å; V273-L328 HydrophobicContact CB-CB 4.42Å; V273-L328 HydrophobicContact CB-CD1 4.3Å; V273-L328 HydrophobicContact CG1-CB 4.13Å; V273-L328 HydrophobicContact CG2-CB 4.21Å; V273-L328 HydrophobicContact CG2-CD1 4.33Å; L302-L328 HydrophobicContact CD2-CD2 3.98Å; V304-L328 HydrophobicContact CG2-CD2 3.98Å; L324-L328 HydrophobicContact CD1-CD1 4.05Å; L324-L328 HydrophobicContact CD1-CD2 4.47Å; L324-L328 HydrophobicContact CD1-CG 4.02Å; L324-L328 HydrophobicContact CG-CD1 3.91Å; L324-L328 HydrophobicContact CG-CG 4.29Å; L324-L328 WeakPolarHBondContact O-CB 3.39Å; L324-L328 WeakPolarHBondContact O-CG 3.36Å; L324-L328 PolarHBondContact O-N 3.38Å; V325-L328 PolarHBondContact O-N 2.83Å; L328-K330 VanDerWaalsContact C-N 3.3Å |
| 329 | K | 91.8 | Very high | 87.4 | Confident | 105 Ų | 105 | 82.9 Ų | 82.9 | 46% | 0.457 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -79.2 | -17.3 | 175.8 | -67.5 | -178.4 | 177.4 | -178.2 | 0 | 112.7 | V273 V325 S326 V327 E331 | V273-K329 HydrophobicContact CG2-CG 4.2Å; V325-K329 HydrophobicContact CG1-CD 4.19Å; V325-K329 WeakPolarHBondContact O-CG 3.4Å; V325-K329 PolarHBondContact O-N 3.28Å; S326-K329 PolarHBondContact O-N 2.91Å; V327-K329 PolarHBondContact O-N 2.72Å; K329-E331 HydrophobicContact CB-CG 3.97Å; K329-E331 WeakPolarHBondContact CD-OE1 3.47Å; K329-E331 PolarHBondContact O-N 3.09Å |
| 330 | K | 77 | Confident | 86.7 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 27% | 0.265 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 45.6 | -170.3 | -139.1 | -177.1 | -168.1 | 174.9 | 0 | 110.4 | V304 K305 E307 S326 V327 L328 S332 | V304-K330 HydrophobicContact CG1-CB 4.26Å; V304-K330 HydrophobicContact CG1-CD 4.45Å; K305-K330 HydrophobicContact CB-CD 3.98Å; K305-K330 HydrophobicContact CD-CB 4.18Å; K305-K330 HydrophobicContact CD-CD 3.61Å; K305-K330 HydrophobicContact CG-CD 3.97Å; E307-K330 IonicContact OE1-NZ 3.08Å; E307-K330 PolarHBondContact OE1-NZ 3.03Å; E307-K330 VanDerWaalsContact OE1-NZ 3.08Å; E307-K330 VanDerWaalsContact OE2-CE 3.3Å; E307-K330 WeakPolarHBondContact OE2-CE 3.49Å; E307-K330 IonicContact OE2-NZ 2.75Å; E307-K330 PolarHBondContact OE2-NZ 3Å; S326-K330 WeakPolarHBondContact O-CA 3.43Å; S326-K330 PolarHBondContact O-N 2.98Å; V327-K330 PolarHBondContact O-N 2.99Å; V327-K330 VanDerWaalsContact O-N 3.1Å; L328-K330 VanDerWaalsContact C-N 3.3Å; K330-S332 PolarHBondContact O-N 3.33Å |
| 331 | E | 60 | Low | 86 | Confident | 136 Ų | 136 | 73.2 Ų | 73.2 | 64% | 0.636 | 44% | 0.436 | S | S | * | . | trans | -75 | 99.2 | 167.2 | -75 | 174.1 | -172.9 | 0 | 0 | 106.2 | S326 K329 | S326-E331 PolarHBondContact O-N 3.06Å; K329-E331 HydrophobicContact CB-CG 3.97Å; K329-E331 WeakPolarHBondContact CD-OE1 3.47Å; K329-E331 PolarHBondContact O-N 3.09Å | ||
| 332 | S | 43 | Very low | 85.1 | Confident | 182 Ų | 182 | 73.8 Ų | 73.8 | 100% | 1.273 | 43% | 0.433 | S | S | * | . | trans | -100.5 | 0 | 172 | -50.4 | 0 | 0 | 0 | 0 | 109.8 | K330 | K330-S332 PolarHBondContact O-N 3.33Š|
Retrieved 332 of 332 residues in 190.9 ms
(Link to these results)