| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 67.1 | Low | 84 | Confident | 102 Ų | 102 | 34.2 Ų | 34.2 | 50% | 0.502 | 18% | 0.182 | S | C | . | . | 0 | 72.7 | 0 | -66.5 | -176.8 | 96.8 | 0 | 0 | 110.6 | K3 L775 | M1-K3 PolarHBondContact O-N 3.41Å; M1-L775 WeakPolarHBondContact O-CD2 3.43Å; M1-L775 VanDerWaalsContact O-CG 3.32Å; M1-L775 WeakPolarHBondContact O-CG 3.48Å | |||
| 2 | P | 78.4 | Confident | 84.4 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | trans | -59.7 | 128.6 | 155.9 | -25.7 | 32.8 | 0 | 0 | 0 | 110.7 | L775 D777 T782 V783 S785 | P2-L775 CarbonylContact C-O 3.58Å; P2-L775 WeakPolarHBondContact CA-O 3.03Å; P2-D777 HydrophobicContact CG-CB 3.78Å; P2-T782 HydrophobicContact CB-CG2 4.49Å; P2-T782 WeakPolarHBondContact CB-O 3.29Å; P2-T782 HydrophobicContact CG-CG2 4.46Å; P2-V783 CarbonylContact C-O 3.57Å; P2-V783 VanDerWaalsContact C-O 3.3Å; P2-S785 PolarHBondContact O-OG 3.04Å | ||
| 3 | K | 87 | Confident | 85 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 156.8 | 178.3 | -155.9 | 151.8 | 172.8 | -176.9 | 0 | 110.4 | M1 L43 V44 C476 L775 V783 | M1-K3 PolarHBondContact O-N 3.41Å; K3-L43 HydrophobicContact CG-CD2 4.49Å; K3-L43 PolarHBondContact NZ-O 3.43Å; K3-V44 PolarHBondContact NZ-O 3.49Å; K3-V44 VanDerWaalsContact NZ-O 3.09Å; K3-C476 VanDerWaalsContact CD-SG 3.55Å; K3-L775 PolarHBondContact N-O 2.96Å; K3-L775 WeakPolarHBondContact O-CA 3.47Å; K3-L775 WeakPolarHBondContact O-CB 3.23Å; K3-L775 PolarHBondContact O-N 3.32Å; K3-V783 WeakPolarHBondContact CA-O 3.4Å; K3-V783 PolarHBondContact N-O 2.88Å |
| 4 | A | 88.3 | Confident | 85.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L32 T46 V773 R774 V783 | A4-L32 HydrophobicContact CB-CD1 3.74Å; A4-T46 HydrophobicContact CB-CG2 3.82Å; A4-T46 PolarHBondContact O-OG1 3.03Å; A4-V773 CarbonylContact C-O 3.41Å; A4-V773 WeakPolarHBondContact CA-O 3.39Å; A4-R774 HydrophobicContact CB-CG 3.93Å; A4-V783 HydrophobicContact CB-CB 4.26Å; A4-V783 HydrophobicContact CB-CG2 4.2Å |
| 5 | I | 88.3 | Confident | 85.2 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.6 | 177.7 | -52.9 | 175.4 | 0 | 0 | 0 | 106.7 | I438 V471 L473 C476 C772 V773 | I5-I438 HydrophobicContact CB-CD1 4.04Å; I5-I438 HydrophobicContact CB-CG1 4.46Å; I5-I438 HydrophobicContact CG2-CD1 3.99Å; I5-I438 HydrophobicContact CG2-CG1 3.87Å; I5-V471 HydrophobicContact CD1-CG1 3.34Å; I5-L473 HydrophobicContact CD1-CD2 4.26Å; I5-C476 HydrophobicContact CD1-CB 3.95Å; I5-C476 HydrophobicContact CG1-CB 3.97Å; I5-C772 WeakPolarHBondContact O-CA 3.31Å; I5-C772 WeakPolarHBondContact O-CB 3.21Å; I5-V773 PolarHBondContact N-O 3.45Å; I5-V773 PolarHBondContact O-N 3.25Å; I5-V773 VanDerWaalsContact O-N 3.14Å |
| 6 | G | 83.7 | Confident | 85.7 | Confident | 9 Ų | 9 | 36 Ų | 36 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | trans | -67.4 | 148 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | C29 G437 I438 | G6-C29 VanDerWaalsContact CA-SG 3.58Å; G6-G437 WeakPolarHBondContact O-CA 3.33Å; G6-I438 PolarHBondContact O-N 2.87Å | ||
| 7 | G | 82.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -109.6 | -145.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G388 I438 G771 | G7-G388 WeakPolarHBondContact O-CA 3.37Å; G7-I438 CarbonylContact C-O 3.07Å; G7-I438 WeakPolarHBondContact CA-O 3.42Å; G7-G771 WeakPolarHBondContact CA-O 3.41Å | ||
| 8 | F | 85.6 | Confident | 86.8 | Confident | 66 Ų | 66 | 34.5 Ų | 34.5 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -53.9 | 147.3 | 168.8 | -94.6 | -114.8 | 0 | 0 | 0 | 111.4 | H30 T386 N387 I438 | F8-H30 PolarHBondContact O-NE2 3.35Å; F8-T386 CarbonylContact C-O 3.52Å; F8-T386 WeakPolarHBondContact CA-O 3.48Å; F8-T386 VanDerWaalsContact CD1-O 3.28Å; F8-T386 WeakPolarHBondContact CD1-O 3.37Å; F8-N387 HydrophobicContact CD1-CB 4.49Å; F8-N387 HydrophobicContact CD2-CB 4.21Å; F8-N387 HydrophobicContact CE1-CB 3.91Å; F8-N387 HydrophobicContact CE2-CB 3.57Å; F8-N387 HydrophobicContact CZ-CB 3.43Å; F8-N387 VanDerWaalsContact CZ-CB 3.43Å; F8-I438 PolarHBondContact N-O 3.48Å |
| 9 | L | 88.6 | Confident | 87.3 | Confident | 13 Ų | 13 | 33.2 Ų | 33.2 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -99.4 | 145.3 | -178.6 | -56.4 | -178.2 | 0 | 0 | 0 | 111 | F27 C29 C369 V384 T386 | L9-F27 HydrophobicContact CD1-CD2 4.34Å; L9-F27 HydrophobicContact CD1-CE2 4.27Å; L9-F27 HydrophobicContact CD2-CD2 4.49Å; L9-F27 HydrophobicContact CD2-CE2 4.06Å; L9-C29 HydrophobicContact CD2-CB 3.75Å; L9-C29 VanDerWaalsContact CD2-SG 3.58Å; L9-C369 HydrophobicContact CD1-CB 4.08Å; L9-V384 HydrophobicContact CD1-CG1 3.47Å; L9-V384 VanDerWaalsContact CD1-CG1 3.47Å; L9-T386 PolarHBondContact N-O 2.86Å |
| 10 | S | 87.9 | Confident | 87.4 | Confident | 25 Ų | 25 | 31.7 Ų | 31.7 | 18% | 0.175 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 146.1 | 167.4 | -179.7 | 0 | 0 | 0 | 0 | 110 | L12 N13 | S10-L12 PolarHBondContact O-N 3.31Å; S10-L12 VanDerWaalsContact O-N 3.14Å; S10-L12 PolarHBondContact OG-N 2.83Å; S10-N13 WeakPolarHBondContact CB-OD1 3.47Å; S10-N13 PolarHBondContact N-OD1 3.27Å; S10-N13 WeakPolarHBondContact O-CB 3.26Å; S10-N13 PolarHBondContact O-N 2.93Å |
| 11 | N | 86.5 | Confident | 87.3 | Confident | 128 Ų | 128 | 32 Ų | 32 | 68% | 0.684 | 18% | 0.18 | S | C | * | . | G | 310 helix | trans | -58.1 | -26.1 | 170 | -68.3 | -19.1 | 0 | 0 | 0 | 111.9 | N13 S14 | N11-N13 PolarHBondContact O-N 3.43Å; N11-S14 WeakPolarHBondContact O-CB 3.35Å; N11-S14 PolarHBondContact O-N 2.94Å; N11-S14 VanDerWaalsContact O-N 3.1Å; N11-S14 PolarHBondContact O-OG 3.03Å |
| 12 | L | 89.2 | Confident | 88.2 | Confident | 96 Ų | 96 | 28 Ų | 28 | 50% | 0.503 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -67.7 | -19.3 | 175 | -64.8 | 176.8 | 0 | 0 | 0 | 113.1 | S10 S14 Y53 | S10-L12 PolarHBondContact O-N 3.31Å; S10-L12 VanDerWaalsContact O-N 3.14Å; S10-L12 PolarHBondContact OG-N 2.83Å; L12-S14 PolarHBondContact O-N 3.48Å; L12-Y53 HydrophobicContact CB-CD2 4.5Å; L12-Y53 HydrophobicContact CB-CG 4.12Å; L12-Y53 HydrophobicContact CD1-CD2 3.51Å; L12-Y53 HydrophobicContact CD1-CE2 3.85Å; L12-Y53 HydrophobicContact CD1-CG 3.97Å |
| 13 | N | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -80.1 | -1.3 | 173.5 | -61.4 | 120 | 0 | 0 | 0 | 112.5 | S10 N11 G15 S16 G28 H30 V54 | S10-N13 WeakPolarHBondContact CB-OD1 3.47Å; S10-N13 PolarHBondContact N-OD1 3.27Å; S10-N13 WeakPolarHBondContact O-CB 3.26Å; S10-N13 PolarHBondContact O-N 2.93Å; N11-N13 PolarHBondContact O-N 3.43Å; N13-G15 PolarHBondContact O-N 3.04Å; N13-S16 WeakPolarHBondContact O-CB 3.19Å; N13-S16 PolarHBondContact O-N 3.33Å; N13-S16 VanDerWaalsContact O-N 3.13Å; N13-S16 PolarHBondContact O-OG 3.21Å; N13-G28 WeakPolarHBondContact CB-O 3.47Å; N13-H30 PolarHBondContact ND2-N 3.35Å; N13-H30 PolarHBondContact ND2-O 3.02Å; N13-H30 PolarHBondContact OD1-N 3.32Å; N13-V54 PolarHBondContact ND2-O 2.96Å |
| 14 | S | 88.7 | Confident | 89 | Confident | 71 Ų | 71 | 27.8 Ų | 27.8 | 50% | 0.497 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 132.2 | 179.9 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | N11 L12 S16 C369 | N11-S14 WeakPolarHBondContact O-CB 3.35Å; N11-S14 PolarHBondContact O-N 2.94Å; N11-S14 VanDerWaalsContact O-N 3.1Å; N11-S14 PolarHBondContact O-OG 3.03Å; L12-S14 PolarHBondContact O-N 3.48Å; S14-S16 VanDerWaalsContact C-N 3.31Å; S14-S16 PolarHBondContact O-N 3.4Å; S14-C369 WeakPolarHBondContact CA-O 3.49Å |
| 15 | G | 84.5 | Confident | 89.3 | Confident | 33 Ų | 33 | 27.8 Ų | 27.8 | 34% | 0.34 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 10.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | N13 L17 | N13-G15 PolarHBondContact O-N 3.04Å; G15-L17 VanDerWaalsContact C-N 3.34Å |
| 16 | S | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -86.9 | 8.9 | 176.5 | 69.2 | 0 | 0 | 0 | 0 | 114.8 | N13 S14 F27 G28 V55 V57 | N13-S16 WeakPolarHBondContact O-CB 3.19Å; N13-S16 PolarHBondContact O-N 3.33Å; N13-S16 VanDerWaalsContact O-N 3.13Å; N13-S16 PolarHBondContact O-OG 3.21Å; S14-S16 VanDerWaalsContact C-N 3.31Å; S14-S16 PolarHBondContact O-N 3.4Å; S16-F27 WeakPolarHBondContact O-CA 3.42Å; S16-G28 WeakPolarHBondContact OG-CA 3.34Å; S16-G28 PolarHBondContact OG-N 2.84Å; S16-V55 WeakPolarHBondContact CA-O 3.21Å; S16-V55 WeakPolarHBondContact CB-O 3.32Å; S16-V57 VanDerWaalsContact O-CB 3.24Å; S16-V57 WeakPolarHBondContact O-CB 3.29Å; S16-V57 WeakPolarHBondContact O-CG2 3.48Å | ||
| 17 | L | 95.6 | Very high | 90.3 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 6% | 0.058 | 16% | 0.16 | C | C | . | . | trans | -94.4 | 138.6 | 179.2 | 174.3 | 71.1 | 0 | 0 | 0 | 111.4 | G15 L25 A26 F27 C370 V382 V384 | G15-L17 VanDerWaalsContact C-N 3.34Å; L17-L25 HydrophobicContact CD1-CD2 4.44Å; L17-A26 WeakPolarHBondContact CA-O 3.41Å; L17-F27 HydrophobicContact CB-CB 4Å; L17-F27 HydrophobicContact CD1-CB 3.82Å; L17-F27 HydrophobicContact CD1-CD1 4.3Å; L17-F27 HydrophobicContact CD1-CG 4.45Å; L17-C370 HydrophobicContact CB-CB 3.67Å; L17-C370 VanDerWaalsContact CB-SG 3.52Å; L17-C370 HydrophobicContact CD2-CB 4.34Å; L17-V382 HydrophobicContact CD2-CG1 4.45Å; L17-V384 HydrophobicContact CD1-CG2 4.29Å; L17-V384 HydrophobicContact CD2-CG2 3.99Å | ||
| 18 | E | 95.4 | Very high | 90.8 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 16% | 0.159 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.7 | 159.8 | -168 | 176.9 | -147.6 | 0 | 0 | 110.7 | A26 R58 W59 | E18-A26 PolarHBondContact N-O 3.03Å; E18-A26 PolarHBondContact O-N 3.11Å; E18-R58 VanDerWaalsContact OE2-C 3.31Å; E18-R58 WeakPolarHBondContact OE2-CA 3.29Å; E18-W59 PolarHBondContact O-NE1 3.2Å; E18-W59 PolarHBondContact OE2-N 3.03Å |
| 19 | W | 95.2 | Very high | 91.1 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 114.3 | 164.9 | -163.9 | -23.4 | 0 | 0 | 0 | 108.5 | L25 A38 S372 E374 P375 V382 R392 | W19-L25 HydrophobicContact CB-CD2 3.65Å; W19-L25 HydrophobicContact CD2-CD2 3.56Å; W19-L25 HydrophobicContact CD2-CG 4.49Å; W19-L25 HydrophobicContact CE3-CD2 3.89Å; W19-L25 HydrophobicContact CG-CD2 3.45Å; W19-L25 VanDerWaalsContact CG-CD2 3.45Å; W19-L25 HydrophobicContact CG-CG 4.4Å; W19-A38 HydrophobicContact CD2-CB 4.39Å; W19-A38 VanDerWaalsContact CE2-CB 3.44Å; W19-A38 HydrophobicContact CH2-CB 4.32Å; W19-A38 HydrophobicContact CZ2-CB 3.41Å; W19-A38 VanDerWaalsContact CZ2-CB 3.41Å; W19-S372 VanDerWaalsContact CB-OG 3.29Å; W19-S372 WeakPolarHBondContact CB-OG 3.39Å; W19-S372 PolarHBondContact N-OG 3.2Å; W19-S372 VanDerWaalsContact N-OG 3.08Å; W19-E374 HydrophobicContact CD2-CB 4.24Å; W19-E374 HydrophobicContact CE3-CB 3.99Å; W19-E374 HydrophobicContact CH2-CB 3.59Å; W19-E374 HydrophobicContact CH2-CG 3.86Å; W19-E374 HydrophobicContact CZ2-CB 3.87Å; W19-E374 HydrophobicContact CZ2-CG 3.64Å; W19-E374 HydrophobicContact CZ3-CB 3.65Å; W19-E374 HydrophobicContact CZ3-CG 4.37Å; W19-P375 HydrophobicContact CB-CG 4.42Å; W19-P375 HydrophobicContact CG-CG 4.44Å; W19-P375 WeakPolarHBondContact O-CG 3.12Å; W19-V382 HydrophobicContact CE3-CB 4.03Å; W19-V382 HydrophobicContact CE3-CG2 3.71Å; W19-V382 HydrophobicContact CH2-CG2 3.98Å; W19-V382 HydrophobicContact CZ3-CB 4.08Å; W19-V382 HydrophobicContact CZ3-CG2 3.39Å; W19-R392 HydrophobicContact CH2-CG 4.24Å |
| 20 | G | 91.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 25 Ų | 25 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | trans | -77.5 | 155.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N22 G23 F24 | G20-N22 VanDerWaalsContact C-OD1 3.27Å; G20-N22 VanDerWaalsContact CA-OD1 3.31Å; G20-N22 WeakPolarHBondContact CA-OD1 3.36Å; G20-N22 PolarHBondContact O-N 2.87Å; G20-N22 PolarHBondContact O-OD1 2.82Å; G20-G23 PolarHBondContact O-N 3.46Å; G20-F24 PolarHBondContact N-O 3.33Å | ||
| 21 | W | 84.6 | Confident | 91.5 | Very high | 40 Ų | 40 | 24.9 Ų | 24.9 | 15% | 0.152 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.9 | 174 | 60 | -90.1 | 0 | 0 | 0 | 112.2 | G23 Y60 E62 H376 M799 F885 G886 | W21-G23 PolarHBondContact O-N 2.78Å; W21-G23 VanDerWaalsContact O-N 3.13Å; W21-Y60 PolarHBondContact NE1-O 3.41Å; W21-E62 HydrophobicContact CH2-CB 3.79Å; W21-E62 WeakPolarHBondContact CH2-OE2 3.38Å; W21-E62 HydrophobicContact CZ2-CB 3.52Å; W21-H376 VanDerWaalsContact CB-CE1 3.48Å; W21-H376 WeakPolarHBondContact CB-CE1 3.15Å; W21-M799 HydrophobicContact CH2-SD 4.37Å; W21-F885 WeakPolarHBondContact CZ3-O 3.46Å; W21-G886 WeakPolarHBondContact O-CA 3.45Å |
| 22 | N | 85 | Confident | 91.8 | Very high | 18 Ų | 18 | 19 Ų | 19 | 10% | 0.096 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 4.3 | 178.1 | 60.1 | -0.8 | 0 | 0 | 0 | 115.5 | G20 F24 W59 L78 | G20-N22 VanDerWaalsContact C-OD1 3.27Å; G20-N22 VanDerWaalsContact CA-OD1 3.31Å; G20-N22 WeakPolarHBondContact CA-OD1 3.36Å; G20-N22 PolarHBondContact O-N 2.87Å; G20-N22 PolarHBondContact O-OD1 2.82Å; N22-F24 VanDerWaalsContact C-N 3.28Å; N22-F24 HydrophobicContact CB-CD2 3.94Å; N22-F24 VanDerWaalsContact O-CD2 3.32Å; N22-F24 WeakPolarHBondContact O-CD2 3.48Å; N22-F24 PolarHBondContact O-N 3.06Å; N22-F24 PolarHBondContact OD1-N 2.9Å; N22-F24 VanDerWaalsContact OD1-N 3.1Å; N22-W59 VanDerWaalsContact ND2-CE3 3.29Å; N22-W59 WeakPolarHBondContact ND2-CH2 3.46Å; N22-W59 WeakPolarHBondContact ND2-CZ3 3.27Å; N22-L78 HydrophobicContact CB-CD1 3.87Å; N22-L78 WeakPolarHBondContact ND2-CD1 3.27Å |
| 23 | G | 88.1 | Confident | 92 | Very high | 24 Ų | 24 | 14.4 Ų | 14.4 | 25% | 0.247 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 78.3 | 6.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G20 W21 A38 | G20-G23 PolarHBondContact O-N 3.46Å; W21-G23 PolarHBondContact O-N 2.78Å; W21-G23 VanDerWaalsContact O-N 3.13Å; G23-A38 VanDerWaalsContact O-CB 3.23Å; G23-A38 WeakPolarHBondContact O-CB 3.41Å; G23-A38 PolarHBondContact O-N 2.88Å |
| 24 | F | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 142.9 | 176.6 | -63.9 | -79.8 | 0 | 0 | 0 | 112.1 | G20 N22 V35 Y36 H37 V44 W59 L78 L795 C797 | G20-F24 PolarHBondContact N-O 3.33Å; N22-F24 VanDerWaalsContact C-N 3.28Å; N22-F24 HydrophobicContact CB-CD2 3.94Å; N22-F24 VanDerWaalsContact O-CD2 3.32Å; N22-F24 WeakPolarHBondContact O-CD2 3.48Å; N22-F24 PolarHBondContact O-N 3.06Å; N22-F24 PolarHBondContact OD1-N 2.9Å; N22-F24 VanDerWaalsContact OD1-N 3.1Å; F24-V35 HydrophobicContact CB-CG1 4.03Å; F24-V35 HydrophobicContact CD1-CG1 4.24Å; F24-V35 HydrophobicContact CG-CG1 4.4Å; F24-Y36 CarbonylContact C-O 3.54Å; F24-Y36 WeakPolarHBondContact CA-O 3.38Å; F24-H37 HydrophobicContact CD1-CB 4.19Å; F24-H37 HydrophobicContact CE1-CB 4.15Å; F24-H37 AromaticContact CE1-CD2 3.9Å; F24-V44 HydrophobicContact CD1-CG1 4.37Å; F24-V44 HydrophobicContact CD1-CG2 3.97Å; F24-V44 HydrophobicContact CE1-CB 4.39Å; F24-V44 HydrophobicContact CE1-CG1 3.93Å; F24-V44 HydrophobicContact CE1-CG2 3.78Å; F24-W59 HydrophobicContact CB-CH2 3.93Å; F24-W59 HydrophobicContact CB-CZ2 3.57Å; F24-W59 PolarHBondContact O-NE1 3.32Å; F24-L78 HydrophobicContact CD2-CD2 3.84Å; F24-L78 HydrophobicContact CE2-CD2 3.89Å; F24-L795 HydrophobicContact CE1-CD1 3.99Å; F24-L795 HydrophobicContact CE1-CD2 4.29Å; F24-L795 HydrophobicContact CZ-CD1 3.71Å; F24-C797 HydrophobicContact CE2-CB 3.99Å; F24-C797 VanDerWaalsContact CE2-SG 3.6Å; F24-C797 HydrophobicContact CZ-CB 3.8Å |
| 25 | L | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.3 | 171.4 | -64.8 | 161.3 | 0 | 0 | 0 | 108.2 | L17 W19 V35 Y36 A38 M41 V382 | L17-L25 HydrophobicContact CD1-CD2 4.44Å; W19-L25 HydrophobicContact CB-CD2 3.65Å; W19-L25 HydrophobicContact CD2-CD2 3.56Å; W19-L25 HydrophobicContact CD2-CG 4.49Å; W19-L25 HydrophobicContact CE3-CD2 3.89Å; W19-L25 HydrophobicContact CG-CD2 3.45Å; W19-L25 VanDerWaalsContact CG-CD2 3.45Å; W19-L25 HydrophobicContact CG-CG 4.4Å; L25-V35 CarbonylContact O-C 3.46Å; L25-V35 VanDerWaalsContact O-CA 3.24Å; L25-V35 WeakPolarHBondContact O-CA 3.47Å; L25-Y36 PolarHBondContact N-O 3Å; L25-Y36 PolarHBondContact O-N 3.23Å; L25-A38 HydrophobicContact CD1-CB 3.78Å; L25-A38 HydrophobicContact CD2-CB 4.43Å; L25-A38 HydrophobicContact CG-CB 3.75Å; L25-M41 HydrophobicContact CD1-SD 4.38Å; L25-V382 HydrophobicContact CD1-CB 4.4Å; L25-V382 HydrophobicContact CD1-CG1 3.93Å; L25-V382 HydrophobicContact CD1-CG2 3.88Å; L25-V382 HydrophobicContact CD2-CB 3.93Å; L25-V382 HydrophobicContact CD2-CG1 3.91Å; L25-V382 HydrophobicContact CD2-CG2 3.93Å |
| 26 | A | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | L17 E18 V33 V34 V35 V57 W59 M80 | L17-A26 WeakPolarHBondContact CA-O 3.41Å; E18-A26 PolarHBondContact N-O 3.03Å; E18-A26 PolarHBondContact O-N 3.11Å; A26-V33 HydrophobicContact CB-CG1 4.46Å; A26-V34 WeakPolarHBondContact CA-O 3.48Å; A26-V35 HydrophobicContact CB-CG2 4.06Å; A26-V57 HydrophobicContact CB-CG1 3.7Å; A26-W59 HydrophobicContact CB-CZ2 3.59Å; A26-M80 HydrophobicContact CB-CE 4.46Å; A26-M80 HydrophobicContact CB-SD 3.42Å; A26-M80 WeakPolarHBondContact CB-SD 3.33Å |
| 27 | F | 95.7 | Very high | 92.9 | Very high | 8 Ų | 8 | 10.5 Ų | 10.5 | 4% | 0.035 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 160.3 | 177.4 | 66.8 | -82.3 | 0 | 0 | 0 | 113.1 | L9 S16 L17 C29 V34 Y36 V384 I390 | L9-F27 HydrophobicContact CD1-CD2 4.34Å; L9-F27 HydrophobicContact CD1-CE2 4.27Å; L9-F27 HydrophobicContact CD2-CD2 4.49Å; L9-F27 HydrophobicContact CD2-CE2 4.06Å; S16-F27 WeakPolarHBondContact O-CA 3.42Å; L17-F27 HydrophobicContact CB-CB 4Å; L17-F27 HydrophobicContact CD1-CB 3.82Å; L17-F27 HydrophobicContact CD1-CD1 4.3Å; L17-F27 HydrophobicContact CD1-CG 4.45Å; F27-C29 HydrophobicContact CE2-CB 4.24Å; F27-V34 HydrophobicContact CE1-CB 4.05Å; F27-V34 HydrophobicContact CE1-CG1 4.16Å; F27-V34 HydrophobicContact CE2-CB 4.27Å; F27-V34 HydrophobicContact CZ-CB 3.91Å; F27-V34 HydrophobicContact CZ-CG1 4.04Å; F27-V34 PolarHBondContact N-O 3.31Å; F27-V34 PolarHBondContact O-N 3.43Å; F27-Y36 AromaticContact CE1-CD2 3.8Å; F27-Y36 HydrophobicContact CE1-CD2 3.8Å; F27-Y36 AromaticContact CE1-CE2 3.93Å; F27-Y36 HydrophobicContact CE1-CE2 3.93Å; F27-Y36 HydrophobicContact CZ-CD2 4.49Å; F27-Y36 HydrophobicContact CZ-CE2 4.16Å; F27-V384 HydrophobicContact CD1-CG2 4.41Å; F27-V384 HydrophobicContact CD2-CG1 4.39Å; F27-V384 HydrophobicContact CE2-CG1 4.24Å; F27-I390 HydrophobicContact CE1-CD1 3.5Å; F27-I390 VanDerWaalsContact CE1-CD1 3.5Å; F27-I390 HydrophobicContact CE1-CG1 4.35Å; F27-I390 HydrophobicContact CZ-CD1 3.83Å; F27-I390 HydrophobicContact CZ-CG1 4.42Å |
| 28 | G | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 127.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N13 S16 L32 | N13-G28 WeakPolarHBondContact CB-O 3.47Å; S16-G28 WeakPolarHBondContact OG-CA 3.34Å; S16-G28 PolarHBondContact OG-N 2.84Å; G28-L32 WeakPolarHBondContact CA-O 3.29Å |
| 29 | C | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 101 | 167.9 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | G6 L9 F27 S31 L32 V34 | G6-C29 VanDerWaalsContact CA-SG 3.58Å; L9-C29 HydrophobicContact CD2-CB 3.75Å; L9-C29 VanDerWaalsContact CD2-SG 3.58Å; F27-C29 HydrophobicContact CE2-CB 4.24Å; C29-S31 PolarHBondContact O-N 2.86Å; C29-L32 PolarHBondContact N-O 2.96Å; C29-L32 WeakPolarHBondContact O-CB 3.16Å; C29-L32 PolarHBondContact O-N 3.3Å; C29-V34 HydrophobicContact CB-CG2 3.51Å |
| 30 | H | 91.5 | Very high | 92.1 | Very high | 26 Ų | 26 | 14.5 Ų | 14.5 | 12% | 0.12 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -122.4 | -168.4 | -62.5 | -86.6 | 0 | 0 | 0 | 110.9 | F8 N13 Y53 V54 D770 | F8-H30 PolarHBondContact O-NE2 3.35Å; N13-H30 PolarHBondContact ND2-N 3.35Å; N13-H30 PolarHBondContact ND2-O 3.02Å; N13-H30 PolarHBondContact OD1-N 3.32Å; H30-Y53 HydrophobicContact CB-CD1 4.48Å; H30-Y53 AromaticContact ND1-CE1 3.57Å; H30-Y53 CarbonylContact O-C 3.55Å; H30-Y53 VanDerWaalsContact O-CA 3.31Å; H30-Y53 WeakPolarHBondContact O-CA 3.48Å; H30-V54 PolarHBondContact O-N 3.25Å; H30-D770 PolarHBondContact NE2-O 3.33Å |
| 31 | S | 91.6 | Very high | 92.1 | Very high | 21 Ų | 21 | 15 Ų | 15 | 15% | 0.147 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.3 | 175.5 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | C29 G52 | C29-S31 PolarHBondContact O-N 2.86Å; S31-G52 VanDerWaalsContact CA-O 3.24Å; S31-G52 WeakPolarHBondContact CA-O 3.4Å; S31-G52 VanDerWaalsContact CB-O 3.23Å; S31-G52 WeakPolarHBondContact CB-O 3.35Å |
| 32 | L | 92.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 15.8 Ų | 15.8 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 147.9 | 179.9 | -55.5 | 174.6 | 0 | 0 | 0 | 110.3 | A4 G28 C29 T46 A48 V783 | A4-L32 HydrophobicContact CB-CD1 3.74Å; G28-L32 WeakPolarHBondContact CA-O 3.29Å; C29-L32 PolarHBondContact N-O 2.96Å; C29-L32 WeakPolarHBondContact O-CB 3.16Å; C29-L32 PolarHBondContact O-N 3.3Å; L32-T46 HydrophobicContact CB-CG2 3.99Å; L32-T46 HydrophobicContact CD1-CG2 4.04Å; L32-T46 HydrophobicContact CG-CG2 4.41Å; L32-A48 HydrophobicContact CD2-CB 3.76Å; L32-V783 HydrophobicContact CD2-CG2 4.24Å |
| 33 | V | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123.2 | 163.1 | -169.8 | 0 | 0 | 0 | 0 | 108.2 | A26 T46 L47 V54 V57 M80 | A26-V33 HydrophobicContact CB-CG1 4.46Å; V33-T46 CarbonylContact O-C 3.58Å; V33-T46 WeakPolarHBondContact O-CA 3.45Å; V33-L47 HydrophobicContact CB-CB 4.17Å; V33-L47 HydrophobicContact CB-CD1 4.44Å; V33-L47 PolarHBondContact N-O 2.86Å; V33-L47 PolarHBondContact O-N 2.89Å; V33-V54 HydrophobicContact CG2-CG1 4.19Å; V33-V54 HydrophobicContact CG2-CG2 4.01Å; V33-V57 HydrophobicContact CG1-CG1 4.38Å; V33-V57 HydrophobicContact CG1-CG2 3.98Å; V33-M80 HydrophobicContact CB-CE 4.36Å; V33-M80 HydrophobicContact CG1-CE 3.53Å; V33-M80 HydrophobicContact CG1-SD 4.36Å |
| 34 | V | 94 | Very high | 92.7 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 129.5 | -176.7 | -171.7 | 0 | 0 | 0 | 0 | 108.5 | A26 F27 C29 Y36 L43 T46 | A26-V34 WeakPolarHBondContact CA-O 3.48Å; F27-V34 HydrophobicContact CE1-CB 4.05Å; F27-V34 HydrophobicContact CE1-CG1 4.16Å; F27-V34 HydrophobicContact CE2-CB 4.27Å; F27-V34 HydrophobicContact CZ-CB 3.91Å; F27-V34 HydrophobicContact CZ-CG1 4.04Å; F27-V34 PolarHBondContact N-O 3.31Å; F27-V34 PolarHBondContact O-N 3.43Å; C29-V34 HydrophobicContact CB-CG2 3.51Å; V34-Y36 HydrophobicContact CG1-CD2 3.89Å; V34-Y36 HydrophobicContact CG1-CE2 3.46Å; V34-Y36 VanDerWaalsContact CG1-CE2 3.46Å; V34-L43 HydrophobicContact CG1-CD1 3.34Å; V34-T46 HydrophobicContact CG2-CG2 4.23Å |
| 35 | V | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 123.9 | -177 | -173.7 | 0 | 0 | 0 | 0 | 110 | F24 L25 A26 V44 Q45 W59 V94 | F24-V35 HydrophobicContact CB-CG1 4.03Å; F24-V35 HydrophobicContact CD1-CG1 4.24Å; F24-V35 HydrophobicContact CG-CG1 4.4Å; L25-V35 CarbonylContact O-C 3.46Å; L25-V35 VanDerWaalsContact O-CA 3.24Å; L25-V35 WeakPolarHBondContact O-CA 3.47Å; A26-V35 HydrophobicContact CB-CG2 4.06Å; V35-V44 HydrophobicContact CG1-CB 4.42Å; V35-V44 WeakPolarHBondContact O-CA 3.49Å; V35-V44 WeakPolarHBondContact O-CB 3.48Å; V35-V44 PolarHBondContact O-N 2.78Å; V35-Q45 HydrophobicContact CB-CB 4.09Å; V35-Q45 HydrophobicContact CG2-CB 4.35Å; V35-Q45 PolarHBondContact N-O 3.06Å; V35-Q45 PolarHBondContact O-N 3.31Å; V35-Q45 VanDerWaalsContact O-N 3.15Å; V35-W59 HydrophobicContact CG1-CH2 4.1Å; V35-W59 HydrophobicContact CG1-CZ2 4.07Å; V35-V94 HydrophobicContact CB-CG1 4.45Å; V35-V94 HydrophobicContact CG1-CG1 4.26Å; V35-V94 HydrophobicContact CG2-CG1 3.92Å |
| 36 | Y | 94 | Very high | 92.5 | Very high | 11 Ų | 11 | 14.4 Ų | 14.4 | 4% | 0.043 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 151.9 | 175.2 | -81.5 | -101.3 | 0 | 0 | 0 | 110.5 | F24 L25 F27 V34 M41 N42 L43 I390 A435 | F24-Y36 CarbonylContact C-O 3.54Å; F24-Y36 WeakPolarHBondContact CA-O 3.38Å; L25-Y36 PolarHBondContact N-O 3Å; L25-Y36 PolarHBondContact O-N 3.23Å; F27-Y36 AromaticContact CE1-CD2 3.8Å; F27-Y36 HydrophobicContact CE1-CD2 3.8Å; F27-Y36 AromaticContact CE1-CE2 3.93Å; F27-Y36 HydrophobicContact CE1-CE2 3.93Å; F27-Y36 HydrophobicContact CZ-CD2 4.49Å; F27-Y36 HydrophobicContact CZ-CE2 4.16Å; V34-Y36 HydrophobicContact CG1-CD2 3.89Å; V34-Y36 HydrophobicContact CG1-CE2 3.46Å; V34-Y36 VanDerWaalsContact CG1-CE2 3.46Å; Y36-M41 WeakPolarHBondContact CD1-O 3.32Å; Y36-N42 VanDerWaalsContact CA-O 3.31Å; Y36-N42 WeakPolarHBondContact CA-O 3.27Å; Y36-N42 VanDerWaalsContact CD1-O 3.31Å; Y36-N42 WeakPolarHBondContact CD1-O 3.21Å; Y36-L43 HydrophobicContact CD1-CB 4.38Å; Y36-L43 HydrophobicContact CD2-CD1 3.98Å; Y36-L43 HydrophobicContact CE1-CB 3.85Å; Y36-L43 HydrophobicContact CE1-CD1 4.44Å; Y36-L43 HydrophobicContact CE2-CB 4.48Å; Y36-L43 HydrophobicContact CE2-CD1 3.57Å; Y36-I390 HydrophobicContact CD1-CD1 4.06Å; Y36-I390 HydrophobicContact CD2-CD1 3.43Å; Y36-I390 VanDerWaalsContact CD2-CD1 3.43Å; Y36-I390 HydrophobicContact CE1-CD1 4.01Å; Y36-I390 HydrophobicContact CE2-CD1 3.33Å; Y36-I390 HydrophobicContact CG-CD1 3.8Å; Y36-A435 HydrophobicContact CD1-CB 4.24Å; Y36-A435 HydrophobicContact CE1-CB 3.67Å |
| 37 | H | 92.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 14.4 Ų | 14.4 | 5% | 0.046 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.5 | 165.4 | -178.7 | -114.7 | 0 | 0 | 0 | 108.5 | F24 E39 T40 M41 N42 V44 L795 | F24-H37 HydrophobicContact CD1-CB 4.19Å; F24-H37 HydrophobicContact CE1-CB 4.15Å; F24-H37 AromaticContact CE1-CD2 3.9Å; H37-E39 PolarHBondContact O-N 2.89Å; H37-T40 PolarHBondContact ND1-N 3.35Å; H37-T40 PolarHBondContact ND1-OG1 2.9Å; H37-M41 VanDerWaalsContact O-CA 3.22Å; H37-M41 WeakPolarHBondContact O-CA 3.45Å; H37-M41 PolarHBondContact O-N 3.23Å; H37-N42 PolarHBondContact N-O 3.09Å; H37-V44 HydrophobicContact CB-CG2 3.7Å; H37-V44 VanDerWaalsContact N-CG2 3.32Å; H37-L795 HydrophobicContact CB-CD2 3.78Å |
| 38 | A | 92.5 | Very high | 92.1 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 2% | 0.017 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -37.6 | -167 | 0 | 0 | 0 | 0 | 0 | 113.3 | W19 G23 L25 M41 R392 | W19-A38 HydrophobicContact CD2-CB 4.39Å; W19-A38 VanDerWaalsContact CE2-CB 3.44Å; W19-A38 HydrophobicContact CH2-CB 4.32Å; W19-A38 HydrophobicContact CZ2-CB 3.41Å; W19-A38 VanDerWaalsContact CZ2-CB 3.41Å; G23-A38 VanDerWaalsContact O-CB 3.23Å; G23-A38 WeakPolarHBondContact O-CB 3.41Å; G23-A38 PolarHBondContact O-N 2.88Å; L25-A38 HydrophobicContact CD1-CB 3.78Å; L25-A38 HydrophobicContact CD2-CB 4.43Å; L25-A38 HydrophobicContact CG-CB 3.75Å; A38-M41 VanDerWaalsContact O-SD 3.36Å; A38-R392 WeakPolarHBondContact O-CD 3.45Å |
| 39 | E | 87.8 | Confident | 91.9 | Very high | 80 Ų | 80 | 17.5 Ų | 17.5 | 37% | 0.374 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -47.9 | -175.2 | 179.4 | 168.5 | -158.2 | 0 | 0 | 112 | H37 R864 | H37-E39 PolarHBondContact O-N 2.89Å; E39-R864 IonicContact OE1-CZ 2.87Å; E39-R864 VanDerWaalsContact OE1-CZ 3.3Å; E39-R864 IonicContact OE1-NE 3.59Å; E39-R864 IonicContact OE1-NH1 3.82Å; E39-R864 IonicContact OE1-NH2 2.77Å; E39-R864 PolarHBondContact OE1-NH2 3.15Å; E39-R864 IonicContact OE2-CZ 3.85Å; E39-R864 IonicContact OE2-NH1 3.72Å; E39-R864 PolarHBondContact OE2-NH1 3.38Å; E39-R864 IonicContact OE2-NH2 2.7Å; E39-R864 PolarHBondContact OE2-NH2 2.95Å |
| 40 | T | 88.6 | Confident | 91.8 | Very high | 57 Ų | 57 | 18 Ų | 18 | 35% | 0.35 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -16 | -179.9 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | H37 N42 | H37-T40 PolarHBondContact ND1-N 3.35Å; H37-T40 PolarHBondContact ND1-OG1 2.9Å; T40-N42 PolarHBondContact O-N 3.24Å; T40-N42 PolarHBondContact O-OD1 3.47Å; T40-N42 VanDerWaalsContact O-OD1 3.12Å |
| 41 | M | 91 | Very high | 91.6 | Very high | 12 Ų | 12 | 18.9 Ų | 18.9 | 6% | 0.059 | 13% | 0.125 | C | C | . | . | trans | 59.2 | 25 | -174.4 | -62.1 | -69.6 | -70.4 | 0 | 0 | 114.2 | L25 Y36 H37 A38 I390 R392 A435 | L25-M41 HydrophobicContact CD1-SD 4.38Å; Y36-M41 WeakPolarHBondContact CD1-O 3.32Å; H37-M41 VanDerWaalsContact O-CA 3.22Å; H37-M41 WeakPolarHBondContact O-CA 3.45Å; H37-M41 PolarHBondContact O-N 3.23Å; A38-M41 VanDerWaalsContact O-SD 3.36Å; M41-I390 HydrophobicContact CE-CB 3.73Å; M41-I390 HydrophobicContact CE-CG2 3.52Å; M41-I390 WeakPolarHBondContact CE-O 3.43Å; M41-R392 HydrophobicContact CE-CB 4.48Å; M41-R392 HydrophobicContact SD-CB 3.91Å; M41-A435 HydrophobicContact CB-CB 4.46Å; M41-A435 HydrophobicContact CE-CB 4.2Å | ||
| 42 | N | 89 | Confident | 91.5 | Very high | 58 Ų | 58 | 18.3 Ų | 18.3 | 31% | 0.31 | 12% | 0.123 | S | C | . | . | trans | -88.7 | 145 | 178.4 | -65.2 | -6.8 | 0 | 0 | 0 | 111.5 | Y36 H37 T40 V44 E477 | Y36-N42 VanDerWaalsContact CA-O 3.31Å; Y36-N42 WeakPolarHBondContact CA-O 3.27Å; Y36-N42 VanDerWaalsContact CD1-O 3.31Å; Y36-N42 WeakPolarHBondContact CD1-O 3.21Å; H37-N42 PolarHBondContact N-O 3.09Å; T40-N42 PolarHBondContact O-N 3.24Å; T40-N42 PolarHBondContact O-OD1 3.47Å; T40-N42 VanDerWaalsContact O-OD1 3.12Å; N42-V44 PolarHBondContact O-N 2.85Å; N42-E477 PolarHBondContact OD1-OE1 2.95Å | ||
| 43 | L | 90.5 | Very high | 91.5 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 115.4 | 174.1 | 178.5 | 65.7 | 0 | 0 | 0 | 110.1 | K3 V34 Y36 C476 | K3-L43 HydrophobicContact CG-CD2 4.49Å; K3-L43 PolarHBondContact NZ-O 3.43Å; V34-L43 HydrophobicContact CG1-CD1 3.34Å; Y36-L43 HydrophobicContact CD1-CB 4.38Å; Y36-L43 HydrophobicContact CD2-CD1 3.98Å; Y36-L43 HydrophobicContact CE1-CB 3.85Å; Y36-L43 HydrophobicContact CE1-CD1 4.44Å; Y36-L43 HydrophobicContact CE2-CB 4.48Å; Y36-L43 HydrophobicContact CE2-CD1 3.57Å; L43-C476 HydrophobicContact CB-CB 4.29Å; L43-C476 HydrophobicContact CD2-CB 3.6Å; L43-C476 HydrophobicContact CG-CB 4.44Å |
| 44 | V | 91.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -58.9 | -175.9 | 178.7 | 0 | 0 | 0 | 0 | 110 | K3 F24 V35 H37 N42 L791 L795 | K3-V44 PolarHBondContact NZ-O 3.49Å; K3-V44 VanDerWaalsContact NZ-O 3.09Å; F24-V44 HydrophobicContact CD1-CG1 4.37Å; F24-V44 HydrophobicContact CD1-CG2 3.97Å; F24-V44 HydrophobicContact CE1-CB 4.39Å; F24-V44 HydrophobicContact CE1-CG1 3.93Å; F24-V44 HydrophobicContact CE1-CG2 3.78Å; V35-V44 HydrophobicContact CG1-CB 4.42Å; V35-V44 WeakPolarHBondContact O-CA 3.49Å; V35-V44 WeakPolarHBondContact O-CB 3.48Å; V35-V44 PolarHBondContact O-N 2.78Å; H37-V44 HydrophobicContact CB-CG2 3.7Å; H37-V44 VanDerWaalsContact N-CG2 3.32Å; N42-V44 PolarHBondContact O-N 2.85Å; V44-L791 HydrophobicContact CG1-CD1 3.43Å; V44-L791 VanDerWaalsContact CG1-CD1 3.43Å; V44-L791 HydrophobicContact CG1-CD2 4.11Å; V44-L791 HydrophobicContact CG1-CG 4.4Å; V44-L795 HydrophobicContact CG2-CD2 4.04Å |
| 45 | Q | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.4 | -171 | 179.7 | 64.4 | -78 | 0 | 0 | 111.4 | V35 L47 V94 S785 V787 | V35-Q45 HydrophobicContact CB-CB 4.09Å; V35-Q45 HydrophobicContact CG2-CB 4.35Å; V35-Q45 PolarHBondContact N-O 3.06Å; V35-Q45 PolarHBondContact O-N 3.31Å; V35-Q45 VanDerWaalsContact O-N 3.15Å; Q45-L47 HydrophobicContact CG-CD2 3.46Å; Q45-L47 VanDerWaalsContact CG-CD2 3.46Å; Q45-L47 HydrophobicContact CG-CG 3.85Å; Q45-V94 HydrophobicContact CB-CG1 4.29Å; Q45-V94 HydrophobicContact CG-CG1 4.28Å; Q45-V94 WeakPolarHBondContact CG-O 3.39Å; Q45-V94 PolarHBondContact NE2-O 2.96Å; Q45-S785 PolarHBondContact NE2-O 3.29Å; Q45-V787 HydrophobicContact CB-CG2 4.5Å |
| 46 | T | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 117.8 | 166.3 | -51.2 | 0 | 0 | 0 | 0 | 110.1 | A4 L32 V33 V34 T784 | A4-T46 HydrophobicContact CB-CG2 3.82Å; A4-T46 PolarHBondContact O-OG1 3.03Å; L32-T46 HydrophobicContact CB-CG2 3.99Å; L32-T46 HydrophobicContact CD1-CG2 4.04Å; L32-T46 HydrophobicContact CG-CG2 4.41Å; V33-T46 CarbonylContact O-C 3.58Å; V33-T46 WeakPolarHBondContact O-CA 3.45Å; V34-T46 HydrophobicContact CG2-CG2 4.23Å; T46-T784 WeakPolarHBondContact O-CB 3.46Å; T46-T784 PolarHBondContact O-OG1 3.46Å |
| 47 | L | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.5 | -174.2 | -53.5 | 170.1 | 0 | 0 | 0 | 109.5 | V33 Q45 M80 W92 V94 T784 | V33-L47 HydrophobicContact CB-CB 4.17Å; V33-L47 HydrophobicContact CB-CD1 4.44Å; V33-L47 PolarHBondContact N-O 2.86Å; V33-L47 PolarHBondContact O-N 2.89Å; Q45-L47 HydrophobicContact CG-CD2 3.46Å; Q45-L47 VanDerWaalsContact CG-CD2 3.46Å; Q45-L47 HydrophobicContact CG-CG 3.85Å; L47-M80 HydrophobicContact CD1-CE 3.58Å; L47-W92 HydrophobicContact CB-CD2 4.18Å; L47-W92 HydrophobicContact CB-CE3 4.03Å; L47-W92 HydrophobicContact CB-CH2 4.07Å; L47-W92 HydrophobicContact CB-CZ2 4.19Å; L47-W92 HydrophobicContact CB-CZ3 3.99Å; L47-W92 HydrophobicContact CD1-CB 3.92Å; L47-W92 HydrophobicContact CD1-CD2 3.72Å; L47-W92 HydrophobicContact CD1-CE3 4.05Å; L47-W92 HydrophobicContact CD1-CG 3.66Å; L47-W92 HydrophobicContact CD2-CE3 4.12Å; L47-W92 HydrophobicContact CG-CD2 4.39Å; L47-W92 HydrophobicContact CG-CE3 4.3Å; L47-V94 HydrophobicContact CD1-CG2 4.21Å; L47-T784 WeakPolarHBondContact CA-OG1 3.44Å; L47-T784 HydrophobicContact CD2-CG2 3.76Å |
| 48 | A | 90.6 | Very high | 91.8 | Very high | 34 Ų | 34 | 26 Ų | 26 | 28% | 0.281 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | L32 W92 V783 T784 | L32-A48 HydrophobicContact CD2-CB 3.76Å; A48-W92 WeakPolarHBondContact O-CH2 3.45Å; A48-V783 HydrophobicContact CB-CG2 3.52Å; A48-T784 PolarHBondContact N-OG1 3.47Å |
| 49 | G | 89.2 | Confident | 91.8 | Very high | 39 Ų | 39 | 26 Ų | 26 | 40% | 0.402 | 15% | 0.154 | S | C | . | . | trans | 166.9 | -17.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R88 | G49-R88 PolarHBondContact O-NH1 3.3Š| ||
| 50 | H | 91.5 | Very high | 91.8 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | trans | -74.8 | 143.7 | 172.5 | -75.8 | -71.6 | 0 | 0 | 0 | 112.1 | V54 S82 D84 R88 | H50-V54 HydrophobicContact CB-CG2 4.25Å; H50-S82 PolarHBondContact CE1-O 3.4Å; H50-S82 PolarHBondContact NE2-O 3.35Å; H50-S82 PolarHBondContact NE2-OG 3.08Å; H50-D84 HydrophobicContact CB-CB 4.04Å; H50-D84 IonicContact CG-OD2 3.69Å; H50-D84 WeakPolarHBondContact ND1-CB 3.39Å; H50-D84 IonicContact ND1-OD2 3.89Å; H50-D84 PolarHBondContact ND1-OD2 3.22Å; H50-R88 PolarHBondContact CE1-O 3.39Å | ||
| 51 | G | 86.9 | Confident | 91.1 | Very high | 43 Ų | 43 | 23.3 Ų | 23.3 | 44% | 0.443 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -94.7 | -18.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | D84 | G51-D84 PolarHBondContact N-OD2 3.44Š|
| 52 | G | 89.9 | Confident | 89.8 | Confident | 10 Ų | 10 | 24.9 Ų | 24.9 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -112.8 | -175.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S31 D84 | S31-G52 VanDerWaalsContact CA-O 3.24Å; S31-G52 WeakPolarHBondContact CA-O 3.4Å; S31-G52 VanDerWaalsContact CB-O 3.23Å; S31-G52 WeakPolarHBondContact CB-O 3.35Å; G52-D84 PolarHBondContact N-OD2 2.67Å |
| 53 | Y | 93 | Very high | 88.1 | Confident | 92 Ų | 92 | 24.9 Ų | 24.9 | 36% | 0.361 | 14% | 0.143 | S | C | . | . | trans | -69.1 | 132 | 172.1 | -63.4 | -90.9 | 0 | 0 | 0 | 109.6 | L12 H30 V55 D84 S85 | L12-Y53 HydrophobicContact CB-CD2 4.5Å; L12-Y53 HydrophobicContact CB-CG 4.12Å; L12-Y53 HydrophobicContact CD1-CD2 3.51Å; L12-Y53 HydrophobicContact CD1-CE2 3.85Å; L12-Y53 HydrophobicContact CD1-CG 3.97Å; H30-Y53 HydrophobicContact CB-CD1 4.48Å; H30-Y53 AromaticContact ND1-CE1 3.57Å; H30-Y53 CarbonylContact O-C 3.55Å; H30-Y53 VanDerWaalsContact O-CA 3.31Å; H30-Y53 WeakPolarHBondContact O-CA 3.48Å; Y53-V55 PolarHBondContact O-N 3.4Å; Y53-D84 CarbonylContact O-C 3.55Å; Y53-D84 WeakPolarHBondContact O-CA 3.31Å; Y53-D84 WeakPolarHBondContact O-CB 3.29Å; Y53-S85 PolarHBondContact N-OG 3.2Å; Y53-S85 VanDerWaalsContact N-OG 3.12Å; Y53-S85 PolarHBondContact O-N 2.6Å | ||
| 54 | V | 95.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 115.1 | 174.1 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | N13 H30 V33 H50 V57 A83 | N13-V54 PolarHBondContact ND2-O 2.96Å; H30-V54 PolarHBondContact O-N 3.25Å; V33-V54 HydrophobicContact CG2-CG1 4.19Å; V33-V54 HydrophobicContact CG2-CG2 4.01Å; H50-V54 HydrophobicContact CB-CG2 4.25Å; V54-V57 HydrophobicContact CG1-CG2 3.76Å; V54-A83 CarbonylContact C-O 3.59Å; V54-A83 WeakPolarHBondContact CA-O 3.42Å |
| 55 | V | 94.9 | Very high | 83.9 | Confident | 20 Ų | 20 | 25.7 Ų | 25.7 | 12% | 0.121 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -26.4 | -175.8 | -65.4 | 0 | 0 | 0 | 0 | 112.5 | S16 Y53 A83 V110 | S16-V55 WeakPolarHBondContact CA-O 3.21Å; S16-V55 WeakPolarHBondContact CB-O 3.32Å; Y53-V55 PolarHBondContact O-N 3.4Å; V55-A83 WeakPolarHBondContact CG2-O 3.49Å; V55-A83 PolarHBondContact N-O 3.05Å; V55-V110 HydrophobicContact CG2-CB 4.27Å; V55-V110 WeakPolarHBondContact CG2-O 3.49Å |
| 56 | K | 95.7 | Very high | 81.8 | Confident | 38 Ų | 38 | 33.2 Ų | 33.2 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142 | 179.3 | -64.9 | -67.1 | 173.2 | 177.3 | 0 | 111 | S82 A83 V110 I111 D112 M113 | K56-S82 CarbonylContact O-C 3.55Å; K56-S82 VanDerWaalsContact O-CA 3.26Å; K56-S82 WeakPolarHBondContact O-CA 3.01Å; K56-A83 HydrophobicContact CB-CB 4.34Å; K56-A83 PolarHBondContact N-O 3.45Å; K56-A83 PolarHBondContact O-N 3.33Å; K56-V110 HydrophobicContact CG-CG1 4.43Å; K56-I111 WeakPolarHBondContact CE-O 3.38Å; K56-D112 IonicContact NZ-OD1 3.42Å; K56-D112 PolarHBondContact NZ-OD1 3.24Å; K56-M113 HydrophobicContact CB-CB 4.32Å; K56-M113 HydrophobicContact CB-CE 4.11Å |
| 57 | V | 96.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.6 | 168.5 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | S16 A26 V33 V54 M80 A81 | S16-V57 VanDerWaalsContact O-CB 3.24Å; S16-V57 WeakPolarHBondContact O-CB 3.29Å; S16-V57 WeakPolarHBondContact O-CG2 3.48Å; A26-V57 HydrophobicContact CB-CG1 3.7Å; V33-V57 HydrophobicContact CG1-CG1 4.38Å; V33-V57 HydrophobicContact CG1-CG2 3.98Å; V54-V57 HydrophobicContact CG1-CG2 3.76Å; V57-M80 HydrophobicContact CG1-CE 4.24Å; V57-M80 HydrophobicContact CG1-CG 3.8Å; V57-M80 HydrophobicContact CG1-SD 3.31Å; V57-M80 WeakPolarHBondContact CG1-SD 3.41Å; V57-A81 CarbonylContact C-O 3.53Å; V57-A81 WeakPolarHBondContact CA-O 3.48Å |
| 58 | R | 94.8 | Very high | 77.1 | Confident | 36 Ų | 36 | 36.3 Ų | 36.3 | 14% | 0.136 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 114.2 | 177.4 | -63.8 | -67 | 178.8 | -108.8 | 4.4 | 112.9 | E18 Y60 A81 D112 M113 W115 | E18-R58 VanDerWaalsContact OE2-C 3.31Å; E18-R58 WeakPolarHBondContact OE2-CA 3.29Å; R58-Y60 PolarHBondContact O-N 2.73Å; R58-A81 PolarHBondContact N-O 3.36Å; R58-A81 PolarHBondContact O-N 2.97Å; R58-D112 IonicContact NH2-OD1 3.21Å; R58-D112 PolarHBondContact NH2-OD1 3.17Å; R58-M113 HydrophobicContact CB-CE 3.97Å; R58-M113 WeakPolarHBondContact CD-O 3.21Å; R58-M113 HydrophobicContact CG-CE 3.84Å; R58-M113 HydrophobicContact CG-CG 4.35Å; R58-M113 VanDerWaalsContact CG-O 3.23Å; R58-M113 WeakPolarHBondContact CG-O 3.28Å; R58-M113 PolarHBondContact NE-O 3.07Å; R58-W115 PolarHBondContact O-NE1 2.67Å |
| 59 | W | 92.9 | Very high | 74.6 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 130.1 | 167.4 | -70.4 | 105.3 | 0 | 0 | 0 | 110.1 | E18 N22 F24 A26 V35 K61 L78 M80 V94 W115 | E18-W59 PolarHBondContact O-NE1 3.2Å; E18-W59 PolarHBondContact OE2-N 3.03Å; N22-W59 VanDerWaalsContact ND2-CE3 3.29Å; N22-W59 WeakPolarHBondContact ND2-CH2 3.46Å; N22-W59 WeakPolarHBondContact ND2-CZ3 3.27Å; F24-W59 HydrophobicContact CB-CH2 3.93Å; F24-W59 HydrophobicContact CB-CZ2 3.57Å; F24-W59 PolarHBondContact O-NE1 3.32Å; A26-W59 HydrophobicContact CB-CZ2 3.59Å; V35-W59 HydrophobicContact CG1-CH2 4.1Å; V35-W59 HydrophobicContact CG1-CZ2 4.07Å; W59-K61 PolarHBondContact O-N 3.34Å; W59-L78 HydrophobicContact CH2-CD2 4.09Å; W59-L78 HydrophobicContact CH2-CG 4.44Å; W59-L78 HydrophobicContact CZ3-CD1 4.23Å; W59-L78 HydrophobicContact CZ3-CD2 3.94Å; W59-L78 HydrophobicContact CZ3-CG 3.79Å; W59-M80 HydrophobicContact CD2-CB 4.43Å; W59-M80 HydrophobicContact CD2-CG 4.22Å; W59-M80 HydrophobicContact CD2-SD 4.23Å; W59-M80 HydrophobicContact CE3-CB 3.78Å; W59-M80 HydrophobicContact CE3-CG 4.06Å; W59-M80 HydrophobicContact CE3-SD 4.26Å; W59-M80 HydrophobicContact CH2-SD 4.06Å; W59-M80 HydrophobicContact CZ2-SD 4.03Å; W59-M80 HydrophobicContact CZ3-CB 3.88Å; W59-M80 HydrophobicContact CZ3-CG 4.34Å; W59-M80 HydrophobicContact CZ3-SD 4.14Å; W59-V94 HydrophobicContact CH2-CG1 4.26Å; W59-V94 HydrophobicContact CH2-CG2 4.1Å; W59-V94 HydrophobicContact CZ3-CB 4.49Å; W59-V94 HydrophobicContact CZ3-CG2 3.84Å; W59-W115 PolarHBondContact O-NE1 2.75Å |
| 60 | Y | 87.1 | Confident | 72.4 | Confident | 26 Ų | 26 | 41.8 Ų | 41.8 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 132.5 | 167.3 | 168.6 | -97.3 | 0 | 0 | 0 | 108.1 | W21 R58 E62 R79 W115 S123 D124 | W21-Y60 PolarHBondContact NE1-O 3.41Å; R58-Y60 PolarHBondContact O-N 2.73Å; Y60-E62 HydrophobicContact CE1-CB 4.3Å; Y60-R79 WeakPolarHBondContact CB-O 3.38Å; Y60-R79 HydrophobicContact CD1-CB 4.18Å; Y60-R79 HydrophobicContact CG-CB 4.1Å; Y60-R79 HydrophobicContact CG-CG 4.17Å; Y60-R79 PolarHBondContact N-O 2.92Å; Y60-W115 HydrophobicContact CD2-CD2 4.38Å; Y60-W115 HydrophobicContact CD2-CE3 4.18Å; Y60-W115 HydrophobicContact CD2-CH2 4.34Å; Y60-W115 HydrophobicContact CD2-CZ3 4.16Å; Y60-S123 VanDerWaalsContact CE2-O 3.27Å; Y60-S123 WeakPolarHBondContact CE2-O 3.49Å; Y60-S123 WeakPolarHBondContact OH-CB 3.35Å; Y60-S123 PolarHBondContact OH-OG 3.39Å; Y60-D124 VanDerWaalsContact CE2-OD1 3.27Å; Y60-D124 WeakPolarHBondContact CE2-OD1 3.28Å |
| 61 | K | 73.2 | Confident | 70 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -86.6 | 120.8 | 172.6 | -80.6 | -168.3 | 167 | -155.3 | 0 | 108.9 | W59 N63 D888 | W59-K61 PolarHBondContact O-N 3.34Å; K61-N63 PolarHBondContact O-N 3.19Å; K61-N63 VanDerWaalsContact O-N 3.11Å; K61-D888 IonicContact NZ-OD2 3.99Å; K61-D888 PolarHBondContact NZ-OD2 3.11Å |
| 62 | E | 63.8 | Low | 67.9 | Low | 45 Ų | 45 | 51.6 Ų | 51.6 | 21% | 0.21 | 26% | 0.262 | C | S | . | . | trans | -70.7 | 109.6 | 172.6 | -168.8 | 169.1 | -164.9 | 0 | 0 | 109.6 | W21 Y60 T64 W76 | W21-E62 HydrophobicContact CH2-CB 3.79Å; W21-E62 WeakPolarHBondContact CH2-OE2 3.38Å; W21-E62 HydrophobicContact CZ2-CB 3.52Å; Y60-E62 HydrophobicContact CE1-CB 4.3Å; E62-T64 VanDerWaalsContact C-N 3.3Å; E62-T64 HydrophobicContact CG-CG2 4.21Å; E62-T64 PolarHBondContact O-N 2.93Å; E62-T64 VanDerWaalsContact O-N 3.15Å; E62-W76 WeakPolarHBondContact OE1-CZ3 3.41Å | ||
| 63 | N | 52.8 | Low | 65.9 | Low | 57 Ų | 57 | 55.7 Ų | 55.7 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | trans | -81.4 | 78.7 | 168.9 | -81.5 | -3 | 0 | 0 | 0 | 108.4 | K61 Q119 | K61-N63 PolarHBondContact O-N 3.19Å; K61-N63 VanDerWaalsContact O-N 3.11Å; N63-Q119 PolarHBondContact ND2-O 3.49Å | ||
| 64 | T | 50.8 | Low | 64.3 | Low | 21 Ų | 21 | 57.1 Ų | 57.1 | 13% | 0.129 | 30% | 0.295 | C | S | . | . | trans | -73.6 | 106.3 | 160.2 | 34.1 | 0 | 0 | 0 | 0 | 107.2 | E62 W889 | E62-T64 VanDerWaalsContact C-N 3.3Å; E62-T64 HydrophobicContact CG-CG2 4.21Å; E62-T64 PolarHBondContact O-N 2.93Å; E62-T64 VanDerWaalsContact O-N 3.15Å; T64-W889 VanDerWaalsContact O-CB 3.23Å; T64-W889 WeakPolarHBondContact O-CB 3.47Å; T64-W889 VanDerWaalsContact O-CG 3.24Å | ||
| 65 | P | 43.4 | Very low | 63 | Low | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | -141.3 | 95 | 93.7 | 17.5 | 7.7 | 0 | 0 | 0 | 112.5 | W889 T1078 M1100 Q1102 | P65-W889 HydrophobicContact CG-CD2 4.22Å; P65-W889 HydrophobicContact CG-CG 4.24Å; P65-T1078 HydrophobicContact CG-CG2 3.55Å; P65-M1100 HydrophobicContact CB-CE 3.97Å; P65-M1100 HydrophobicContact CG-CE 3.52Å; P65-Q1102 VanDerWaalsContact CA-CD 3.44Å; P65-Q1102 VanDerWaalsContact CA-NE2 3.3Å; P65-Q1102 HydrophobicContact CB-CG 3.2Å | |||
| 66 | R | 48.2 | Very low | 62.3 | Low | 158 Ų | 158 | 63.5 Ų | 63.5 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | trans | -141.6 | 91.7 | 149.5 | -69.2 | -168.1 | -169.5 | 178.2 | 7.7 | 108.1 | S68 R803 | R66-S68 PolarHBondContact O-N 3.32Å; R66-R803 PolarHBondContact O-NH2 3.46Å | ||
| 67 | D | 49.6 | Very low | 61.8 | Low | 15 Ų | 15 | 62.6 Ų | 62.6 | 8% | 0.08 | 32% | 0.319 | C | S | . | . | trans | -79.7 | 41.1 | 160.7 | -49.1 | -38.9 | 0 | 0 | 0 | 108.9 | S69 K1101 Q1102 P1104 Y1140 | D67-S69 PolarHBondContact O-N 3.29Å; D67-K1101 WeakPolarHBondContact CA-O 3.23Å; D67-K1101 WeakPolarHBondContact CB-O 3.25Å; D67-K1101 PolarHBondContact N-O 2.97Å; D67-Q1102 VanDerWaalsContact CG-NE2 3.27Å; D67-Q1102 PolarHBondContact OD1-NE2 2.86Å; D67-Q1102 PolarHBondContact OD2-NE2 2.82Å; D67-Q1102 VanDerWaalsContact OD2-NE2 3.1Å; D67-P1104 WeakPolarHBondContact OD2-CD 3.43Å; D67-Y1140 HydrophobicContact CB-CE1 4.39Å; D67-Y1140 PolarHBondContact O-OH 2.87Å | ||
| 68 | S | 40.1 | Very low | 61.4 | Low | 50 Ų | 50 | 62.7 Ų | 62.7 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | trans | -72.8 | 85.2 | 173 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | R66 L70 K1101 | R66-S68 PolarHBondContact O-N 3.32Å; S68-L70 PolarHBondContact O-N 2.84Å; S68-K1101 PolarHBondContact OG-NZ 3.09Å; S68-K1101 VanDerWaalsContact OG-NZ 3.15Å | ||
| 69 | S | 37.6 | Very low | 61.2 | Low | 47 Ų | 47 | 61.5 Ų | 61.5 | 33% | 0.329 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 24.1 | 98.9 | 141.4 | 61.4 | 0 | 0 | 0 | 0 | 114 | D67 V71 K1101 | D67-S69 PolarHBondContact O-N 3.29Å; S69-V71 WeakPolarHBondContact O-CG2 3.4Å; S69-V71 PolarHBondContact O-N 2.65Å; S69-K1101 PolarHBondContact OG-NZ 2.94Å |
| 70 | L | 41.9 | Very low | 61.3 | Low | 140 Ų | 140 | 61.3 Ų | 61.3 | 73% | 0.733 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 16.2 | 144.6 | -64.5 | 157.3 | 0 | 0 | 0 | 117.8 | S68 D72 F1139 | S68-L70 PolarHBondContact O-N 2.84Å; L70-D72 PolarHBondContact O-N 3.28Å; L70-F1139 HydrophobicContact CD1-CZ 4.38Å |
| 71 | V | 40.9 | Very low | 61.7 | Low | 103 Ų | 103 | 60.1 Ų | 60.1 | 62% | 0.624 | 31% | 0.31 | S | S | * | . | trans | -92.7 | 99.1 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 107.6 | S69 S73 | S69-V71 WeakPolarHBondContact O-CG2 3.4Å; S69-V71 PolarHBondContact O-N 2.65Å; V71-S73 PolarHBondContact O-N 3.3Å | ||
| 72 | D | 43.3 | Very low | 62.9 | Low | 159 Ų | 159 | 57.5 Ų | 57.5 | 85% | 0.85 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 10.1 | -179.3 | -64.4 | -38.5 | 0 | 0 | 0 | 117.4 | L70 | L70-D72 PolarHBondContact O-N 3.28Š|
| 73 | S | 49.1 | Very low | 64.4 | Low | 96 Ų | 96 | 55.4 Ų | 55.4 | 67% | 0.671 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -17.6 | -169.3 | 68.6 | 0 | 0 | 0 | 0 | 115.8 | V71 | V71-S73 PolarHBondContact O-N 3.3Š|
| 74 | Y | 58.3 | Low | 66.4 | Low | 122 Ų | 122 | 52.7 Ų | 52.7 | 48% | 0.478 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -104 | 112.8 | 178.5 | -112 | -95.3 | 0 | 0 | 0 | 110.3 | W76 | Y74-W76 PolarHBondContact O-N 2.72Å; Y74-W76 VanDerWaalsContact O-N 3.09Å |
| 75 | D | 68.3 | Low | 68.3 | Low | 95 Ų | 95 | 53.3 Ų | 53.3 | 51% | 0.508 | 28% | 0.28 | S | S | . | . | trans | -58.4 | 109 | 176 | -97 | 3.2 | 0 | 0 | 0 | 110.3 | Y77 K100 | D75-Y77 HydrophobicContact CB-CD1 3.65Å; D75-Y77 HydrophobicContact CB-CE1 3.57Å; D75-Y77 WeakPolarHBondContact O-CD1 3.45Å; D75-Y77 PolarHBondContact O-N 3.15Å; D75-K100 IonicContact OD2-NZ 2.82Å; D75-K100 PolarHBondContact OD2-NZ 3.35Å | ||
| 76 | W | 79.4 | Confident | 70.6 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | trans | -78.6 | 101.7 | 174.9 | 177.5 | -98.5 | 0 | 0 | 0 | 110.2 | E62 Y74 M799 C801 R803 A806 | E62-W76 WeakPolarHBondContact OE1-CZ3 3.41Å; Y74-W76 PolarHBondContact O-N 2.72Å; Y74-W76 VanDerWaalsContact O-N 3.09Å; W76-M799 HydrophobicContact CD2-CE 3.74Å; W76-M799 HydrophobicContact CD2-SD 4.2Å; W76-M799 VanDerWaalsContact CE2-SD 3.59Å; W76-M799 HydrophobicContact CE3-CE 4.14Å; W76-M799 HydrophobicContact CE3-SD 4.47Å; W76-M799 HydrophobicContact CG-CE 4.15Å; W76-M799 HydrophobicContact CH2-CE 4.33Å; W76-M799 HydrophobicContact CH2-SD 3.61Å; W76-M799 HydrophobicContact CZ2-CE 3.97Å; W76-M799 HydrophobicContact CZ2-SD 3.27Å; W76-M799 WeakPolarHBondContact CZ2-SD 3.38Å; W76-M799 HydrophobicContact CZ3-CE 4.43Å; W76-M799 HydrophobicContact CZ3-SD 4.22Å; W76-C801 PolarHBondContact NE1-O 3.46Å; W76-R803 HydrophobicContact CD2-CB 3.9Å; W76-R803 HydrophobicContact CD2-CG 4.42Å; W76-R803 HydrophobicContact CE3-CB 4.01Å; W76-R803 HydrophobicContact CE3-CG 4.04Å; W76-R803 HydrophobicContact CG-CB 4.27Å; W76-R803 HydrophobicContact CH2-CG 4.46Å; W76-R803 HydrophobicContact CZ3-CB 4.4Å; W76-R803 HydrophobicContact CZ3-CG 4.05Å; W76-A806 HydrophobicContact CZ2-CB 4Å | ||
| 77 | Y | 85.7 | Confident | 72.7 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -157.2 | 162.8 | 176.1 | 67 | -86 | 0 | 0 | 0 | 112.2 | D75 R79 D93 K100 M799 | D75-Y77 HydrophobicContact CB-CD1 3.65Å; D75-Y77 HydrophobicContact CB-CE1 3.57Å; D75-Y77 WeakPolarHBondContact O-CD1 3.45Å; D75-Y77 PolarHBondContact O-N 3.15Å; Y77-R79 HydrophobicContact CD2-CB 4.04Å; Y77-R79 HydrophobicContact CE2-CB 3.59Å; Y77-R79 HydrophobicContact CE2-CG 3.8Å; Y77-R79 PolarHBondContact O-N 3.44Å; Y77-R79 VanDerWaalsContact O-N 3.11Å; Y77-R79 VanDerWaalsContact OH-CZ 3.23Å; Y77-R79 PolarHBondContact OH-NE 3.17Å; Y77-R79 PolarHBondContact OH-NH2 2.98Å; Y77-R79 VanDerWaalsContact OH-NH2 3.08Å; Y77-D93 WeakPolarHBondContact CB-OD2 3.26Å; Y77-D93 HydrophobicContact CD2-CB 3.66Å; Y77-D93 HydrophobicContact CE2-CB 4.1Å; Y77-D93 HydrophobicContact CG-CB 4.26Å; Y77-K100 HydrophobicContact CE2-CG 4.06Å; Y77-M799 WeakPolarHBondContact O-CE 3.5Å |
| 78 | L | 88.8 | Confident | 74.9 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | trans | -78.5 | 97.4 | 179.9 | -168.3 | 63.7 | 0 | 0 | 0 | 111.2 | N22 F24 W59 V94 L95 M799 | N22-L78 HydrophobicContact CB-CD1 3.87Å; N22-L78 WeakPolarHBondContact ND2-CD1 3.27Å; F24-L78 HydrophobicContact CD2-CD2 3.84Å; F24-L78 HydrophobicContact CE2-CD2 3.89Å; W59-L78 HydrophobicContact CH2-CD2 4.09Å; W59-L78 HydrophobicContact CH2-CG 4.44Å; W59-L78 HydrophobicContact CZ3-CD1 4.23Å; W59-L78 HydrophobicContact CZ3-CD2 3.94Å; W59-L78 HydrophobicContact CZ3-CG 3.79Å; L78-V94 HydrophobicContact CB-CB 4.48Å; L78-V94 HydrophobicContact CD2-CB 4.2Å; L78-V94 HydrophobicContact CD2-CG1 4.4Å; L78-V94 HydrophobicContact CG-CB 4.4Å; L78-V94 WeakPolarHBondContact O-CG2 3.4Å; L78-V94 PolarHBondContact O-N 3.37Å; L78-L95 HydrophobicContact CB-CD1 4.03Å; L78-L95 HydrophobicContact CB-CG 3.92Å; L78-L95 HydrophobicContact CD2-CD1 4.44Å; L78-L95 HydrophobicContact CD2-CD2 4.08Å; L78-L95 HydrophobicContact CD2-CG 4Å; L78-M799 HydrophobicContact CB-CB 4.47Å; L78-M799 HydrophobicContact CD1-CG 4.01Å | ||
| 79 | R | 90.8 | Very high | 77.6 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 5% | 0.045 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136 | -171.2 | -172.2 | -176.7 | -65.5 | -157.2 | -7.5 | 113.2 | Y60 Y77 V91 W92 D124 D141 | Y60-R79 WeakPolarHBondContact CB-O 3.38Å; Y60-R79 HydrophobicContact CD1-CB 4.18Å; Y60-R79 HydrophobicContact CG-CB 4.1Å; Y60-R79 HydrophobicContact CG-CG 4.17Å; Y60-R79 PolarHBondContact N-O 2.92Å; Y77-R79 HydrophobicContact CD2-CB 4.04Å; Y77-R79 HydrophobicContact CE2-CB 3.59Å; Y77-R79 HydrophobicContact CE2-CG 3.8Å; Y77-R79 PolarHBondContact O-N 3.44Å; Y77-R79 VanDerWaalsContact O-N 3.11Å; Y77-R79 VanDerWaalsContact OH-CZ 3.23Å; Y77-R79 PolarHBondContact OH-NE 3.17Å; Y77-R79 PolarHBondContact OH-NH2 2.98Å; Y77-R79 VanDerWaalsContact OH-NH2 3.08Å; R79-V91 HydrophobicContact CG-CG1 3.81Å; R79-W92 WeakPolarHBondContact CA-O 3.27Å; R79-D124 IonicContact CZ-OD1 3.73Å; R79-D124 IonicContact CZ-OD2 3.98Å; R79-D124 IonicContact NH1-OD1 3.99Å; R79-D124 PolarHBondContact NH1-OD1 3.17Å; R79-D124 IonicContact NH1-OD2 3.89Å; R79-D124 PolarHBondContact NH1-OD2 3.32Å; R79-D141 IonicContact NH2-OD1 3.65Å |
| 80 | M | 94.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 143.7 | 175.9 | -176 | -178 | 68.3 | 0 | 0 | 110.6 | A26 V33 L47 V57 W59 V91 W92 V94 | A26-M80 HydrophobicContact CB-CE 4.46Å; A26-M80 HydrophobicContact CB-SD 3.42Å; A26-M80 WeakPolarHBondContact CB-SD 3.33Å; V33-M80 HydrophobicContact CB-CE 4.36Å; V33-M80 HydrophobicContact CG1-CE 3.53Å; V33-M80 HydrophobicContact CG1-SD 4.36Å; L47-M80 HydrophobicContact CD1-CE 3.58Å; V57-M80 HydrophobicContact CG1-CE 4.24Å; V57-M80 HydrophobicContact CG1-CG 3.8Å; V57-M80 HydrophobicContact CG1-SD 3.31Å; V57-M80 WeakPolarHBondContact CG1-SD 3.41Å; W59-M80 HydrophobicContact CD2-CB 4.43Å; W59-M80 HydrophobicContact CD2-CG 4.22Å; W59-M80 HydrophobicContact CD2-SD 4.23Å; W59-M80 HydrophobicContact CE3-CB 3.78Å; W59-M80 HydrophobicContact CE3-CG 4.06Å; W59-M80 HydrophobicContact CE3-SD 4.26Å; W59-M80 HydrophobicContact CH2-SD 4.06Å; W59-M80 HydrophobicContact CZ2-SD 4.03Å; W59-M80 HydrophobicContact CZ3-CB 3.88Å; W59-M80 HydrophobicContact CZ3-CG 4.34Å; W59-M80 HydrophobicContact CZ3-SD 4.14Å; M80-V91 CarbonylContact O-C 3.47Å; M80-V91 WeakPolarHBondContact O-CA 3.25Å; M80-W92 HydrophobicContact CE-CG 4.38Å; M80-W92 PolarHBondContact N-O 2.9Å; M80-W92 PolarHBondContact O-N 3.48Å; M80-V94 HydrophobicContact CB-CG2 3.74Å; M80-V94 HydrophobicContact CE-CG2 3.95Å; M80-V94 HydrophobicContact SD-CG2 4.38Å |
| 81 | A | 96.2 | Very high | 82.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 141.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V57 R58 I90 V91 M113 W115 L126 | V57-A81 CarbonylContact C-O 3.53Å; V57-A81 WeakPolarHBondContact CA-O 3.48Å; R58-A81 PolarHBondContact N-O 3.36Å; R58-A81 PolarHBondContact O-N 2.97Å; A81-I90 CarbonylContact C-O 3.59Å; A81-I90 VanDerWaalsContact CA-O 3.31Å; A81-I90 WeakPolarHBondContact CA-O 3.12Å; A81-V91 HydrophobicContact CB-CG2 4.41Å; A81-M113 HydrophobicContact CB-CE 3.84Å; A81-M113 HydrophobicContact CB-SD 4.13Å; A81-M113 WeakPolarHBondContact O-CE 3.41Å; A81-W115 HydrophobicContact CB-CH2 4.46Å; A81-W115 HydrophobicContact CB-CZ2 3.59Å; A81-L126 HydrophobicContact CB-CD1 4.47Å; A81-L126 HydrophobicContact CB-CD2 4.16Å |
| 82 | S | 97.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.1 | 167.9 | 61.3 | 0 | 0 | 0 | 0 | 111 | H50 K56 I89 I90 W92 | H50-S82 PolarHBondContact CE1-O 3.4Å; H50-S82 PolarHBondContact NE2-O 3.35Å; H50-S82 PolarHBondContact NE2-OG 3.08Å; K56-S82 CarbonylContact O-C 3.55Å; K56-S82 VanDerWaalsContact O-CA 3.26Å; K56-S82 WeakPolarHBondContact O-CA 3.01Å; S82-I89 CarbonylContact O-C 3.58Å; S82-I89 VanDerWaalsContact O-CA 3.28Å; S82-I89 WeakPolarHBondContact O-CA 3.29Å; S82-I90 PolarHBondContact N-O 3.11Å; S82-I90 PolarHBondContact O-N 3.03Å; S82-W92 PolarHBondContact OG-NE1 3.3Å |
| 83 | A | 96.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V54 V55 K56 R88 I89 V110 M113 | V54-A83 CarbonylContact C-O 3.59Å; V54-A83 WeakPolarHBondContact CA-O 3.42Å; V55-A83 WeakPolarHBondContact CG2-O 3.49Å; V55-A83 PolarHBondContact N-O 3.05Å; K56-A83 HydrophobicContact CB-CB 4.34Å; K56-A83 PolarHBondContact N-O 3.45Å; K56-A83 PolarHBondContact O-N 3.33Å; A83-R88 CarbonylContact C-O 3.5Å; A83-R88 VanDerWaalsContact CA-O 3.3Å; A83-R88 WeakPolarHBondContact CA-O 3.28Å; A83-I89 HydrophobicContact CB-CG1 4.08Å; A83-V110 HydrophobicContact CB-CB 3.8Å; A83-V110 HydrophobicContact CB-CG1 3.81Å; A83-V110 HydrophobicContact CB-CG2 3.8Å; A83-M113 HydrophobicContact CB-CE 4.32Å; A83-M113 HydrophobicContact CB-SD 3.98Å |
| 84 | D | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 170.1 | 177.5 | 69.1 | 27.3 | 0 | 0 | 0 | 115 | H50 G51 G52 Y53 V86 G87 R88 | H50-D84 HydrophobicContact CB-CB 4.04Å; H50-D84 IonicContact CG-OD2 3.69Å; H50-D84 WeakPolarHBondContact ND1-CB 3.39Å; H50-D84 IonicContact ND1-OD2 3.89Å; H50-D84 PolarHBondContact ND1-OD2 3.22Å; G51-D84 PolarHBondContact N-OD2 3.44Å; G52-D84 PolarHBondContact N-OD2 2.67Å; Y53-D84 CarbonylContact O-C 3.55Å; Y53-D84 WeakPolarHBondContact O-CA 3.31Å; Y53-D84 WeakPolarHBondContact O-CB 3.29Å; D84-V86 PolarHBondContact O-N 2.9Å; D84-V86 VanDerWaalsContact O-N 3.17Å; D84-V86 WeakPolarHBondContact OD1-CA 3.38Å; D84-V86 WeakPolarHBondContact OD1-CB 3.47Å; D84-V86 PolarHBondContact OD1-N 2.78Å; D84-G87 PolarHBondContact O-N 2.81Å; D84-G87 PolarHBondContact OD1-N 2.99Å; D84-R88 PolarHBondContact N-O 3.21Å; D84-R88 PolarHBondContact OD1-N 3.17Å; D84-R88 WeakPolarHBondContact OD2-CB 3.47Å |
| 85 | S | 92.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 20.5 Ų | 20.5 | 24% | 0.238 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -8.1 | 178.4 | 65.5 | 0 | 0 | 0 | 0 | 114.3 | Y53 P109 | Y53-S85 PolarHBondContact N-OG 3.2Å; Y53-S85 VanDerWaalsContact N-OG 3.12Å; Y53-S85 PolarHBondContact O-N 2.6Å; S85-P109 WeakPolarHBondContact O-CB 3.5Å; S85-P109 WeakPolarHBondContact O-CG 2.99Å |
| 86 | V | 91.4 | Very high | 92.8 | Very high | 80 Ų | 80 | 20.6 Ų | 20.6 | 49% | 0.485 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -13.4 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 111 | D84 | D84-V86 PolarHBondContact O-N 2.9Å; D84-V86 VanDerWaalsContact O-N 3.17Å; D84-V86 WeakPolarHBondContact OD1-CA 3.38Å; D84-V86 WeakPolarHBondContact OD1-CB 3.47Å; D84-V86 PolarHBondContact OD1-N 2.78Å |
| 87 | G | 92.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 104.3 | 5.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | D84 G104 E105 A108 | D84-G87 PolarHBondContact O-N 2.81Å; D84-G87 PolarHBondContact OD1-N 2.99Å; G87-G104 WeakPolarHBondContact O-CA 3.46Å; G87-E105 PolarHBondContact O-N 2.94Å; G87-A108 WeakPolarHBondContact CA-O 3.38Å |
| 88 | R | 94.3 | Very high | 93.7 | Very high | 115 Ų | 115 | 21.5 Ų | 21.5 | 43% | 0.434 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 136.1 | 177.1 | -177.8 | -175.3 | -71 | 176.3 | -1 | 109.8 | G49 H50 A83 D84 I90 T102 | G49-R88 PolarHBondContact O-NH1 3.3Å; H50-R88 PolarHBondContact CE1-O 3.39Å; A83-R88 CarbonylContact C-O 3.5Å; A83-R88 VanDerWaalsContact CA-O 3.3Å; A83-R88 WeakPolarHBondContact CA-O 3.28Å; D84-R88 PolarHBondContact N-O 3.21Å; D84-R88 PolarHBondContact OD1-N 3.17Å; D84-R88 WeakPolarHBondContact OD2-CB 3.47Å; R88-I90 HydrophobicContact CG-CG1 4.17Å; R88-T102 HydrophobicContact CG-CG2 3.55Å |
| 89 | I | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.8 | 177.9 | -52.5 | 174.5 | 0 | 0 | 0 | 107.5 | S82 A83 T102 F103 V110 M113 L126 V128 | S82-I89 CarbonylContact O-C 3.58Å; S82-I89 VanDerWaalsContact O-CA 3.28Å; S82-I89 WeakPolarHBondContact O-CA 3.29Å; A83-I89 HydrophobicContact CB-CG1 4.08Å; I89-T102 WeakPolarHBondContact O-CA 3.49Å; I89-F103 HydrophobicContact CB-CD2 4.06Å; I89-F103 HydrophobicContact CB-CE2 3.9Å; I89-F103 HydrophobicContact CB-CZ 4.31Å; I89-F103 HydrophobicContact CD1-CD2 4.14Å; I89-F103 HydrophobicContact CD1-CE2 3.87Å; I89-F103 HydrophobicContact CG1-CE2 4.5Å; I89-F103 HydrophobicContact CG2-CD2 4.37Å; I89-F103 HydrophobicContact CG2-CE1 4.41Å; I89-F103 HydrophobicContact CG2-CE2 3.73Å; I89-F103 HydrophobicContact CG2-CZ 3.75Å; I89-F103 PolarHBondContact N-O 2.97Å; I89-F103 PolarHBondContact O-N 3.07Å; I89-F103 VanDerWaalsContact O-O 3.07Å; I89-V110 HydrophobicContact CD1-CG2 4.26Å; I89-V110 HydrophobicContact CG1-CG2 4.12Å; I89-M113 HydrophobicContact CG2-SD 3.93Å; I89-L126 HydrophobicContact CG2-CD2 4.07Å; I89-V128 HydrophobicContact CD1-CB 4.26Å; I89-V128 HydrophobicContact CD1-CG1 3.84Å; I89-V128 HydrophobicContact CD1-CG2 3.66Å |
| 90 | I | 96.3 | Very high | 94 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 132.4 | 180 | -55.3 | 176.9 | 0 | 0 | 0 | 108.4 | A81 S82 R88 W92 C99 C101 T102 | A81-I90 CarbonylContact C-O 3.59Å; A81-I90 VanDerWaalsContact CA-O 3.31Å; A81-I90 WeakPolarHBondContact CA-O 3.12Å; S82-I90 PolarHBondContact N-O 3.11Å; S82-I90 PolarHBondContact O-N 3.03Å; R88-I90 HydrophobicContact CG-CG1 4.17Å; I90-W92 HydrophobicContact CB-CZ2 3.76Å; I90-W92 HydrophobicContact CD1-CH2 4.02Å; I90-W92 HydrophobicContact CD1-CZ2 3.62Å; I90-W92 HydrophobicContact CG1-CZ2 4.27Å; I90-W92 HydrophobicContact CG2-CD2 3.69Å; I90-W92 HydrophobicContact CG2-CE3 4.12Å; I90-W92 HydrophobicContact CG2-CG 4.27Å; I90-W92 HydrophobicContact CG2-CH2 3.89Å; I90-W92 HydrophobicContact CG2-CZ2 3.44Å; I90-W92 VanDerWaalsContact CG2-CZ2 3.44Å; I90-W92 HydrophobicContact CG2-CZ3 4.2Å; I90-C99 HydrophobicContact CG2-CB 3.96Å; I90-C99 VanDerWaalsContact CG2-SG 3.59Å; I90-C101 WeakPolarHBondContact CA-O 3.18Å; I90-T102 HydrophobicContact CG1-CG2 4.17Å |
| 91 | V | 95.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.5 | 167.8 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | R79 M80 A81 K100 C101 F103 A140 | R79-V91 HydrophobicContact CG-CG1 3.81Å; M80-V91 CarbonylContact O-C 3.47Å; M80-V91 WeakPolarHBondContact O-CA 3.25Å; A81-V91 HydrophobicContact CB-CG2 4.41Å; V91-K100 PolarHBondContact O-N 2.64Å; V91-C101 WeakPolarHBondContact CB-SG 3.49Å; V91-C101 WeakPolarHBondContact CG2-SG 3.42Å; V91-C101 PolarHBondContact N-O 3.41Å; V91-C101 PolarHBondContact O-N 3.05Å; V91-F103 HydrophobicContact CG2-CE1 3.77Å; V91-F103 HydrophobicContact CG2-CZ 4.23Å; V91-A140 HydrophobicContact CG2-CB 4.04Å |
| 92 | W | 95.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 142.4 | -171.5 | -57.7 | 95.7 | 0 | 0 | 0 | 111.8 | L47 A48 R79 M80 S82 I90 V94 M98 C99 | L47-W92 HydrophobicContact CB-CD2 4.18Å; L47-W92 HydrophobicContact CB-CE3 4.03Å; L47-W92 HydrophobicContact CB-CH2 4.07Å; L47-W92 HydrophobicContact CB-CZ2 4.19Å; L47-W92 HydrophobicContact CB-CZ3 3.99Å; L47-W92 HydrophobicContact CD1-CB 3.92Å; L47-W92 HydrophobicContact CD1-CD2 3.72Å; L47-W92 HydrophobicContact CD1-CE3 4.05Å; L47-W92 HydrophobicContact CD1-CG 3.66Å; L47-W92 HydrophobicContact CD2-CE3 4.12Å; L47-W92 HydrophobicContact CG-CD2 4.39Å; L47-W92 HydrophobicContact CG-CE3 4.3Å; A48-W92 WeakPolarHBondContact O-CH2 3.45Å; R79-W92 WeakPolarHBondContact CA-O 3.27Å; M80-W92 HydrophobicContact CE-CG 4.38Å; M80-W92 PolarHBondContact N-O 2.9Å; M80-W92 PolarHBondContact O-N 3.48Å; S82-W92 PolarHBondContact OG-NE1 3.3Å; I90-W92 HydrophobicContact CB-CZ2 3.76Å; I90-W92 HydrophobicContact CD1-CH2 4.02Å; I90-W92 HydrophobicContact CD1-CZ2 3.62Å; I90-W92 HydrophobicContact CG1-CZ2 4.27Å; I90-W92 HydrophobicContact CG2-CD2 3.69Å; I90-W92 HydrophobicContact CG2-CE3 4.12Å; I90-W92 HydrophobicContact CG2-CG 4.27Å; I90-W92 HydrophobicContact CG2-CH2 3.89Å; I90-W92 HydrophobicContact CG2-CZ2 3.44Å; I90-W92 VanDerWaalsContact CG2-CZ2 3.44Å; I90-W92 HydrophobicContact CG2-CZ3 4.2Å; W92-V94 HydrophobicContact CB-CG2 4.13Å; W92-M98 WeakPolarHBondContact CA-O 3.48Å; W92-C99 HydrophobicContact CE3-CB 4.26Å; W92-C99 HydrophobicContact CZ3-CB 4.03Å |
| 93 | D | 93.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 102.1 | 148.9 | -176.7 | -21.6 | 0 | 0 | 0 | 107.6 | Y77 R96 G97 M98 K100 | Y77-D93 WeakPolarHBondContact CB-OD2 3.26Å; Y77-D93 HydrophobicContact CD2-CB 3.66Å; Y77-D93 HydrophobicContact CE2-CB 4.1Å; Y77-D93 HydrophobicContact CG-CB 4.26Å; D93-R96 PolarHBondContact OD1-N 2.87Å; D93-R96 WeakPolarHBondContact OD2-CD 3.32Å; D93-R96 IonicContact OD2-NE 3.17Å; D93-R96 IonicContact OD2-NH1 3.15Å; D93-R96 PolarHBondContact OD2-NH1 3.16Å; D93-G97 WeakPolarHBondContact O-CA 3.41Å; D93-G97 PolarHBondContact O-N 3.31Å; D93-M98 HydrophobicContact CB-CB 4.29Å; D93-M98 HydrophobicContact CB-CE 4.31Å; D93-M98 PolarHBondContact N-O 2.62Å; D93-M98 PolarHBondContact O-N 3.38Å; D93-K100 HydrophobicContact CB-CG 4.15Å |
| 94 | V | 94.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -43.8 | -167.2 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | V35 Q45 L47 W59 L78 M80 W92 G97 | V35-V94 HydrophobicContact CB-CG1 4.45Å; V35-V94 HydrophobicContact CG1-CG1 4.26Å; V35-V94 HydrophobicContact CG2-CG1 3.92Å; Q45-V94 HydrophobicContact CB-CG1 4.29Å; Q45-V94 HydrophobicContact CG-CG1 4.28Å; Q45-V94 WeakPolarHBondContact CG-O 3.39Å; Q45-V94 PolarHBondContact NE2-O 2.96Å; L47-V94 HydrophobicContact CD1-CG2 4.21Å; W59-V94 HydrophobicContact CH2-CG1 4.26Å; W59-V94 HydrophobicContact CH2-CG2 4.1Å; W59-V94 HydrophobicContact CZ3-CB 4.49Å; W59-V94 HydrophobicContact CZ3-CG2 3.84Å; L78-V94 HydrophobicContact CB-CB 4.48Å; L78-V94 HydrophobicContact CD2-CB 4.2Å; L78-V94 HydrophobicContact CD2-CG1 4.4Å; L78-V94 HydrophobicContact CG-CB 4.4Å; L78-V94 WeakPolarHBondContact O-CG2 3.4Å; L78-V94 PolarHBondContact O-N 3.37Å; M80-V94 HydrophobicContact CB-CG2 3.74Å; M80-V94 HydrophobicContact CE-CG2 3.95Å; M80-V94 HydrophobicContact SD-CG2 4.38Å; W92-V94 HydrophobicContact CB-CG2 4.13Å; V94-G97 PolarHBondContact O-N 3.47Å |
| 95 | L | 92.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -36.3 | -175.3 | -62.8 | 176.2 | 0 | 0 | 0 | 111.5 | L78 G97 V787 E788 L791 M799 L800 | L78-L95 HydrophobicContact CB-CD1 4.03Å; L78-L95 HydrophobicContact CB-CG 3.92Å; L78-L95 HydrophobicContact CD2-CD1 4.44Å; L78-L95 HydrophobicContact CD2-CD2 4.08Å; L78-L95 HydrophobicContact CD2-CG 4Å; L95-G97 VanDerWaalsContact C-N 3.34Å; L95-V787 WeakPolarHBondContact O-CG2 3.24Å; L95-V787 PolarHBondContact O-N 2.96Å; L95-E788 HydrophobicContact CB-CG 3.81Å; L95-L791 HydrophobicContact CD2-CD1 3.99Å; L95-M799 HydrophobicContact CD1-CB 4.04Å; L95-L800 HydrophobicContact CD1-CD2 3.86Å; L95-L800 HydrophobicContact CD1-CG 4.21Å; L95-L800 HydrophobicContact CD2-CD2 4.4Å |
| 96 | R | 92.2 | Very high | 93 | Very high | 97 Ų | 97 | 38.2 Ų | 38.2 | 37% | 0.366 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -14.3 | 175 | -62.2 | -172.9 | -176.5 | 147.4 | -10.6 | 113.5 | D93 M98 S786 E788 | D93-R96 PolarHBondContact OD1-N 2.87Å; D93-R96 WeakPolarHBondContact OD2-CD 3.32Å; D93-R96 IonicContact OD2-NE 3.17Å; D93-R96 IonicContact OD2-NH1 3.15Å; D93-R96 PolarHBondContact OD2-NH1 3.16Å; R96-M98 VanDerWaalsContact C-N 3.34Å; R96-M98 HydrophobicContact CB-CE 3.8Å; R96-M98 HydrophobicContact CB-CG 3.88Å; R96-M98 HydrophobicContact CB-SD 4.23Å; R96-M98 HydrophobicContact CG-CE 4.31Å; R96-S786 PolarHBondContact O-N 3.13Å; R96-E788 HydrophobicContact CG-CG 4.44Å; R96-E788 WeakPolarHBondContact CG-OE1 3.41Å; R96-E788 WeakPolarHBondContact CG-OE2 3.44Å; R96-E788 IonicContact CZ-OE1 3.56Å; R96-E788 IonicContact NE-OE1 2.67Å; R96-E788 PolarHBondContact NE-OE1 3.05Å; R96-E788 VanDerWaalsContact NE-OE1 3.12Å; R96-E788 IonicContact NE-OE2 3.12Å; R96-E788 IonicContact NH2-OE1 3.21Å |
| 97 | G | 91.8 | Very high | 92.5 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 32.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D93 V94 L95 T784 | D93-G97 WeakPolarHBondContact O-CA 3.41Å; D93-G97 PolarHBondContact O-N 3.31Å; V94-G97 PolarHBondContact O-N 3.47Å; L95-G97 VanDerWaalsContact C-N 3.34Å; G97-T784 VanDerWaalsContact CA-CG2 3.47Å; G97-T784 VanDerWaalsContact O-CG2 3.28Å; G97-T784 WeakPolarHBondContact O-CG2 3.05Å |
| 98 | M | 92.4 | Very high | 92.5 | Very high | 79 Ų | 79 | 40.3 Ų | 40.3 | 39% | 0.389 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.5 | -174.8 | -59.2 | -172.5 | -55 | 0 | 0 | 111.7 | W92 D93 R96 K100 | W92-M98 WeakPolarHBondContact CA-O 3.48Å; D93-M98 HydrophobicContact CB-CB 4.29Å; D93-M98 HydrophobicContact CB-CE 4.31Å; D93-M98 PolarHBondContact N-O 2.62Å; D93-M98 PolarHBondContact O-N 3.38Å; R96-M98 VanDerWaalsContact C-N 3.34Å; R96-M98 HydrophobicContact CB-CE 3.8Å; R96-M98 HydrophobicContact CB-CG 3.88Å; R96-M98 HydrophobicContact CB-SD 4.23Å; R96-M98 HydrophobicContact CG-CE 4.31Å; M98-K100 PolarHBondContact O-N 2.74Å |
| 99 | C | 92.9 | Very high | 92.3 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 43% | 0.432 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 113.3 | 164 | 164.1 | 0 | 0 | 0 | 0 | 108.7 | I90 W92 T102 | I90-C99 HydrophobicContact CG2-CB 3.96Å; I90-C99 VanDerWaalsContact CG2-SG 3.59Å; W92-C99 HydrophobicContact CE3-CB 4.26Å; W92-C99 HydrophobicContact CZ3-CB 4.03Å; C99-T102 PolarHBondContact SG-OG1 3.42Å |
| 100 | K | 92.3 | Very high | 92.2 | Very high | 74 Ų | 74 | 37 Ų | 37 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -45.6 | 176.5 | -76.9 | -77.9 | -171.3 | 170.3 | 0 | 111.4 | D75 Y77 V91 D93 M98 | D75-K100 IonicContact OD2-NZ 2.82Å; D75-K100 PolarHBondContact OD2-NZ 3.35Å; Y77-K100 HydrophobicContact CE2-CG 4.06Å; V91-K100 PolarHBondContact O-N 2.64Å; D93-K100 HydrophobicContact CB-CG 4.15Å; M98-K100 PolarHBondContact O-N 2.74Å |
| 101 | C | 92.4 | Very high | 92.1 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 11% | 0.108 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153.2 | 175.3 | 72.1 | 0 | 0 | 0 | 0 | 110.7 | I90 V91 F103 A140 | I90-C101 WeakPolarHBondContact CA-O 3.18Å; V91-C101 WeakPolarHBondContact CB-SG 3.49Å; V91-C101 WeakPolarHBondContact CG2-SG 3.42Å; V91-C101 PolarHBondContact N-O 3.41Å; V91-C101 PolarHBondContact O-N 3.05Å; C101-F103 VanDerWaalsContact SG-CE1 3.51Å; C101-A140 PolarHBondContact SG-O 3.21Å |
| 102 | T | 94.5 | Very high | 92 | Very high | 73 Ų | 73 | 38.8 Ų | 38.8 | 45% | 0.448 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128 | 173.2 | -65.2 | 0 | 0 | 0 | 0 | 108.4 | R88 I89 I90 C99 | R88-T102 HydrophobicContact CG-CG2 3.55Å; I89-T102 WeakPolarHBondContact O-CA 3.49Å; I90-T102 HydrophobicContact CG1-CG2 4.17Å; C99-T102 PolarHBondContact SG-OG1 3.42Å |
| 103 | F | 95.7 | Very high | 92 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | -169.3 | 178.3 | 56.4 | -90.2 | 0 | 0 | 0 | 108.9 | I89 V91 C101 L126 W138 A140 | I89-F103 HydrophobicContact CB-CD2 4.06Å; I89-F103 HydrophobicContact CB-CE2 3.9Å; I89-F103 HydrophobicContact CB-CZ 4.31Å; I89-F103 HydrophobicContact CD1-CD2 4.14Å; I89-F103 HydrophobicContact CD1-CE2 3.87Å; I89-F103 HydrophobicContact CG1-CE2 4.5Å; I89-F103 HydrophobicContact CG2-CD2 4.37Å; I89-F103 HydrophobicContact CG2-CE1 4.41Å; I89-F103 HydrophobicContact CG2-CE2 3.73Å; I89-F103 HydrophobicContact CG2-CZ 3.75Å; I89-F103 PolarHBondContact N-O 2.97Å; I89-F103 PolarHBondContact O-N 3.07Å; I89-F103 VanDerWaalsContact O-O 3.07Å; V91-F103 HydrophobicContact CG2-CE1 3.77Å; V91-F103 HydrophobicContact CG2-CZ 4.23Å; C101-F103 VanDerWaalsContact SG-CE1 3.51Å; F103-L126 HydrophobicContact CE2-CD2 4.19Å; F103-L126 HydrophobicContact CZ-CD2 3.91Å; F103-W138 HydrophobicContact CB-CE3 4.4Å; F103-W138 HydrophobicContact CB-CZ3 4.16Å; F103-W138 HydrophobicContact CD2-CB 4.41Å; F103-W138 AromaticContact CD2-CD2 3.59Å; F103-W138 HydrophobicContact CD2-CD2 3.59Å; F103-W138 AromaticContact CD2-CE3 3.63Å; F103-W138 HydrophobicContact CD2-CE3 3.63Å; F103-W138 AromaticContact CD2-CG 3.96Å; F103-W138 HydrophobicContact CD2-CG 3.96Å; F103-W138 HydrophobicContact CD2-CH2 4.44Å; F103-W138 HydrophobicContact CD2-CZ2 4.42Å; F103-W138 HydrophobicContact CD2-CZ3 4.07Å; F103-W138 HydrophobicContact CE2-CB 3.84Å; F103-W138 AromaticContact CE2-CD2 3.84Å; F103-W138 HydrophobicContact CE2-CD2 3.84Å; F103-W138 HydrophobicContact CE2-CE3 4.23Å; F103-W138 AromaticContact CE2-CG 3.66Å; F103-W138 HydrophobicContact CE2-CG 3.66Å; F103-W138 HydrophobicContact CG-CE3 4.24Å; F103-W138 HydrophobicContact CG-CZ3 4.47Å; F103-W138 HydrophobicContact CZ-CB 4.37Å; F103-A140 HydrophobicContact CE1-CB 4.36Å; F103-A140 HydrophobicContact CZ-CB 4.11Å |
| 104 | G | 92.8 | Very high | 91.9 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.6 | -177.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G87 | G87-G104 WeakPolarHBondContact O-CA 3.46Å |
| 105 | E | 90.5 | Very high | 91.7 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | trans | -111.7 | 116.4 | -167 | -145.7 | 71 | 165.2 | 0 | 0 | 108.7 | G87 S107 A108 W138 K145 K148 | G87-E105 PolarHBondContact O-N 2.94Å; E105-S107 PolarHBondContact O-N 3.35Å; E105-A108 HydrophobicContact CB-CB 4.05Å; E105-A108 HydrophobicContact CG-CB 4.43Å; E105-A108 PolarHBondContact O-N 2.94Å; E105-A108 VanDerWaalsContact O-N 3.13Å; E105-W138 WeakPolarHBondContact OE2-CH2 3.48Å; E105-W138 WeakPolarHBondContact OE2-CZ2 3.39Å; E105-K145 IonicContact OE1-NZ 2.69Å; E105-K145 PolarHBondContact OE1-NZ 3.32Å; E105-K145 WeakPolarHBondContact OE2-CE 3.27Å; E105-K145 IonicContact OE2-NZ 2.95Å; E105-K145 PolarHBondContact OE2-NZ 2.94Å; E105-K148 IonicContact OE1-NZ 3.6Å; E105-K148 PolarHBondContact OE1-NZ 3.09Å | ||
| 106 | P | 83.2 | Confident | 91.4 | Very high | 116 Ų | 116 | 41.3 Ų | 41.3 | 75% | 0.753 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 129 | -169.5 | -23.3 | 31.3 | 0 | 0 | 0 | 112 | A108 | P106-A108 PolarHBondContact O-N 3.38Š|
| 107 | S | 81.8 | Confident | 90.5 | Very high | 113 Ų | 113 | 42.6 Ų | 42.6 | 79% | 0.79 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 20.3 | 179 | -44.4 | 0 | 0 | 0 | 0 | 114.8 | E105 | E105-S107 PolarHBondContact O-N 3.35Š|
| 108 | A | 90.8 | Very high | 89.3 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | trans | -120.4 | 94.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G87 E105 P106 H130 Q131 | G87-A108 WeakPolarHBondContact CA-O 3.38Å; E105-A108 HydrophobicContact CB-CB 4.05Å; E105-A108 HydrophobicContact CG-CB 4.43Å; E105-A108 PolarHBondContact O-N 2.94Å; E105-A108 VanDerWaalsContact O-N 3.13Å; P106-A108 PolarHBondContact O-N 3.38Å; A108-H130 HydrophobicContact CB-CB 4.04Å; A108-H130 PolarHBondContact O-ND1 3.17Å; A108-H130 VanDerWaalsContact O-ND1 3.1Å; A108-Q131 WeakPolarHBondContact CB-O 3.5Å | ||
| 109 | P | 90.8 | Very high | 88 | Confident | 37 Ų | 37 | 42.3 Ų | 42.3 | 24% | 0.24 | 24% | 0.236 | C | C | . | . | trans | -50.4 | 140.8 | 180 | -25.7 | 30.5 | 0 | 0 | 0 | 112.5 | S85 H130 Q131 | S85-P109 WeakPolarHBondContact O-CB 3.5Å; S85-P109 WeakPolarHBondContact O-CG 2.99Å; P109-H130 CarbonylContact O-C 3.56Å; P109-H130 WeakPolarHBondContact O-CA 3.29Å; P109-Q131 HydrophobicContact CB-CB 4.33Å; P109-Q131 HydrophobicContact CG-CB 4.44Å; P109-Q131 PolarHBondContact O-N 2.71Å | ||
| 110 | V | 94.5 | Very high | 86.7 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 5% | 0.048 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.6 | 174.9 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | V55 K56 A83 I89 M113 V128 | V55-V110 HydrophobicContact CG2-CB 4.27Å; V55-V110 WeakPolarHBondContact CG2-O 3.49Å; K56-V110 HydrophobicContact CG-CG1 4.43Å; A83-V110 HydrophobicContact CB-CB 3.8Å; A83-V110 HydrophobicContact CB-CG1 3.81Å; A83-V110 HydrophobicContact CB-CG2 3.8Å; I89-V110 HydrophobicContact CD1-CG2 4.26Å; I89-V110 HydrophobicContact CG1-CG2 4.12Å; V110-M113 HydrophobicContact CG1-CB 4.25Å; V110-V128 HydrophobicContact CB-CG1 4.46Å; V110-V128 HydrophobicContact CG1-CG1 3.78Å; V110-V128 HydrophobicContact CG2-CG1 3.9Å |
| 111 | I | 93.6 | Very high | 85.2 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -47.9 | 176.8 | -60.6 | -176.5 | 0 | 0 | 0 | 110 | K56 L129 Q131 L155 M156 | K56-I111 WeakPolarHBondContact CE-O 3.38Å; I111-L129 HydrophobicContact CB-CD2 4.13Å; I111-L129 HydrophobicContact CB-CG 4.14Å; I111-L129 HydrophobicContact CD1-CG 4.48Å; I111-L129 HydrophobicContact CG2-CD2 3.97Å; I111-L129 PolarHBondContact N-O 3.11Å; I111-Q131 HydrophobicContact CD1-CB 3.96Å; I111-Q131 HydrophobicContact CD1-CG 4.24Å; I111-Q131 HydrophobicContact CG1-CB 4.18Å; I111-L155 WeakPolarHBondContact CD1-O 3.23Å; I111-M156 WeakPolarHBondContact CG2-O 3.41Å |
| 112 | D | 94.3 | Very high | 83.8 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 5% | 0.053 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 156.3 | 175.1 | -162.6 | 33 | 0 | 0 | 0 | 111.8 | K56 R58 Q114 L129 M158 | K56-D112 IonicContact NZ-OD1 3.42Å; K56-D112 PolarHBondContact NZ-OD1 3.24Å; R58-D112 IonicContact NH2-OD1 3.21Å; R58-D112 PolarHBondContact NH2-OD1 3.17Å; D112-Q114 PolarHBondContact OD2-NE2 3.36Å; D112-L129 PolarHBondContact N-O 3.46Å; D112-L129 PolarHBondContact O-N 2.94Å; D112-M158 HydrophobicContact CB-CB 4.17Å; D112-M158 HydrophobicContact CB-CE 4.17Å |
| 113 | M | 94.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 129.1 | -173.4 | 176.3 | 174.6 | 79 | 0 | 0 | 108.2 | K56 R58 A81 A83 I89 V110 L126 V127 V128 | K56-M113 HydrophobicContact CB-CB 4.32Å; K56-M113 HydrophobicContact CB-CE 4.11Å; R58-M113 HydrophobicContact CB-CE 3.97Å; R58-M113 WeakPolarHBondContact CD-O 3.21Å; R58-M113 HydrophobicContact CG-CE 3.84Å; R58-M113 HydrophobicContact CG-CG 4.35Å; R58-M113 VanDerWaalsContact CG-O 3.23Å; R58-M113 WeakPolarHBondContact CG-O 3.28Å; R58-M113 PolarHBondContact NE-O 3.07Å; A81-M113 HydrophobicContact CB-CE 3.84Å; A81-M113 HydrophobicContact CB-SD 4.13Å; A81-M113 WeakPolarHBondContact O-CE 3.41Å; A83-M113 HydrophobicContact CB-CE 4.32Å; A83-M113 HydrophobicContact CB-SD 3.98Å; I89-M113 HydrophobicContact CG2-SD 3.93Å; V110-M113 HydrophobicContact CG1-CB 4.25Å; M113-L126 HydrophobicContact CG-CD1 3.72Å; M113-L126 HydrophobicContact CG-CD2 3.93Å; M113-L126 HydrophobicContact CG-CG 3.92Å; M113-L126 HydrophobicContact SD-CD1 4.37Å; M113-L126 HydrophobicContact SD-CD2 3.78Å; M113-L126 HydrophobicContact SD-CG 4.43Å; M113-V127 WeakPolarHBondContact CA-O 3.47Å; M113-V128 HydrophobicContact CG-CG2 4.2Å |
| 114 | Q | 92.9 | Very high | 82 | Confident | 39 Ų | 39 | 37.3 Ų | 37.3 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 139.4 | -179.5 | -63.4 | -172.7 | 36.1 | 0 | 0 | 111.3 | D112 V127 M158 L160 | D112-Q114 PolarHBondContact OD2-NE2 3.36Å; Q114-V127 HydrophobicContact CB-CG1 4.17Å; Q114-V127 PolarHBondContact N-O 3.39Å; Q114-V127 WeakPolarHBondContact O-CG1 3.31Å; Q114-V127 PolarHBondContact O-N 3.23Å; Q114-M158 HydrophobicContact CG-CE 4.35Å; Q114-L160 HydrophobicContact CB-CD1 3.7Å; Q114-L160 HydrophobicContact CG-CD1 4.38Å; Q114-L160 VanDerWaalsContact OE1-CD1 3.32Å |
| 115 | W | 90.1 | Very high | 81.8 | Confident | 15 Ų | 15 | 36.8 Ų | 36.8 | 6% | 0.057 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.3 | 168.8 | -65.2 | 104.3 | 0 | 0 | 0 | 110 | R58 W59 Y60 A81 L126 A140 | R58-W115 PolarHBondContact O-NE1 2.67Å; W59-W115 PolarHBondContact O-NE1 2.75Å; Y60-W115 HydrophobicContact CD2-CD2 4.38Å; Y60-W115 HydrophobicContact CD2-CE3 4.18Å; Y60-W115 HydrophobicContact CD2-CH2 4.34Å; Y60-W115 HydrophobicContact CD2-CZ3 4.16Å; A81-W115 HydrophobicContact CB-CH2 4.46Å; A81-W115 HydrophobicContact CB-CZ2 3.59Å; W115-L126 HydrophobicContact CD2-CD1 3.58Å; W115-L126 HydrophobicContact CE3-CB 4.24Å; W115-L126 HydrophobicContact CE3-CD1 3.89Å; W115-L126 HydrophobicContact CG-CD1 3.96Å; W115-L126 HydrophobicContact CH2-CD1 4.44Å; W115-L126 HydrophobicContact CZ2-CD1 4.18Å; W115-L126 HydrophobicContact CZ3-CB 4.22Å; W115-L126 HydrophobicContact CZ3-CD1 4.29Å; W115-A140 HydrophobicContact CH2-CB 3.47Å; W115-A140 VanDerWaalsContact CH2-CB 3.47Å; W115-A140 HydrophobicContact CZ3-CB 3.51Å |
| 116 | L | 85.5 | Confident | 81.9 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | trans | -73.3 | 128.7 | 174.5 | -63.8 | -174.3 | 0 | 0 | 0 | 110.3 | L125 V127 L137 L160 F183 V185 | L116-L125 HydrophobicContact CB-CB 4.25Å; L116-L125 HydrophobicContact CD1-CB 3.86Å; L116-L125 HydrophobicContact CD1-CD1 4.09Å; L116-L125 HydrophobicContact CG-CB 4.16Å; L116-L125 PolarHBondContact N-O 2.78Å; L116-V127 HydrophobicContact CD2-CB 4.31Å; L116-V127 HydrophobicContact CD2-CG1 3.99Å; L116-L137 HydrophobicContact CD1-CD1 3.73Å; L116-L137 HydrophobicContact CG-CD1 4.36Å; L116-L160 HydrophobicContact CD2-CD1 4.3Å; L116-F183 HydrophobicContact CD1-CE1 4.14Å; L116-F183 HydrophobicContact CD1-CZ 4.27Å; L116-F183 HydrophobicContact CD2-CE1 3.87Å; L116-F183 HydrophobicContact CD2-CZ 3.96Å; L116-V185 HydrophobicContact CD1-CG2 3.62Å | ||
| 117 | R | 72.5 | Confident | 82.4 | Confident | 125 Ų | 125 | 30.5 Ų | 30.5 | 47% | 0.472 | 17% | 0.171 | S | C | . | . | trans | -99.1 | -13.3 | -169.6 | -62.9 | -176.4 | 175.3 | -175.7 | -1 | 114.8 | ||||
| 118 | W | 65.9 | Low | 83.1 | Confident | 41 Ų | 41 | 25.1 Ų | 25.1 | 16% | 0.155 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -100.5 | -5.9 | -162.1 | 4.4 | 90.7 | 0 | 0 | 0 | 114.4 | L160 D161 Y165 Q1076 | W118-L160 HydrophobicContact CH2-CB 3.91Å; W118-L160 HydrophobicContact CZ2-CB 3.92Å; W118-L160 HydrophobicContact CZ2-CD1 4.08Å; W118-L160 HydrophobicContact CZ2-CD2 4.33Å; W118-L160 HydrophobicContact CZ2-CG 4.35Å; W118-D161 VanDerWaalsContact CH2-O 3.28Å; W118-D161 WeakPolarHBondContact CH2-O 3.19Å; W118-D161 WeakPolarHBondContact CZ3-O 3.27Å; W118-Y165 HydrophobicContact CB-CG 4.49Å; W118-Y165 HydrophobicContact CG-CG 4.39Å; W118-Q1076 VanDerWaalsContact O-CG 3.26Å; W118-Q1076 WeakPolarHBondContact O-CG 3.21Å |
| 119 | Q | 66.2 | Low | 83.3 | Confident | 48 Ų | 48 | 24.5 Ų | 24.5 | 22% | 0.224 | 13% | 0.128 | C | C | . | . | trans | -109.4 | 122.4 | -177.2 | -75.1 | -171.6 | -10.1 | 0 | 0 | 111.4 | N63 A121 S122 V185 | N63-Q119 PolarHBondContact ND2-O 3.49Å; Q119-A121 VanDerWaalsContact C-N 3.29Å; Q119-S122 PolarHBondContact OE1-OG 2.94Å; Q119-V185 VanDerWaalsContact NE2-CG2 3.35Å | ||
| 120 | D | 66.5 | Low | 83.5 | Confident | 28 Ų | 28 | 22.7 Ų | 22.7 | 15% | 0.15 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -77.7 | -15.7 | 173.2 | -64.8 | -29 | 0 | 0 | 0 | 112 | C1075 K1077 T1078 | D120-C1075 PolarHBondContact N-O 2.77Å; D120-K1077 WeakPolarHBondContact OD2-CA 3.43Å; D120-K1077 WeakPolarHBondContact OD2-CB 3.23Å; D120-K1077 PolarHBondContact OD2-N 3.12Å; D120-T1078 WeakPolarHBondContact OD1-CG2 3.24Å; D120-T1078 PolarHBondContact OD1-OG1 3.33Å; D120-T1078 PolarHBondContact OD2-N 2.88Å; D120-T1078 PolarHBondContact OD2-OG1 3.29Å |
| 121 | A | 59.6 | Low | 83.4 | Confident | 56 Ų | 56 | 26.9 Ų | 26.9 | 46% | 0.463 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -84.6 | -34 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q119 C1075 | Q119-A121 VanDerWaalsContact C-N 3.29Å; A121-C1075 WeakPolarHBondContact CB-SG 3.46Å |
| 122 | S | 63.3 | Low | 83.3 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 26% | 0.259 | 15% | 0.153 | S | C | . | . | trans | -145.6 | 91.1 | -176.4 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | Q119 D124 L125 | Q119-S122 PolarHBondContact OE1-OG 2.94Å; S122-D124 PolarHBondContact O-N 3.01Å; S122-L125 VanDerWaalsContact OG-CD1 3.26Å; S122-L125 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 123 | S | 69.3 | Low | 83.2 | Confident | 17 Ų | 17 | 28.9 Ų | 28.9 | 12% | 0.119 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.2 | 177.1 | 44.3 | 0 | 0 | 0 | 0 | 113.1 | Y60 L125 | Y60-S123 VanDerWaalsContact CE2-O 3.27Å; Y60-S123 WeakPolarHBondContact CE2-O 3.49Å; Y60-S123 WeakPolarHBondContact OH-CB 3.35Å; Y60-S123 PolarHBondContact OH-OG 3.39Å; S123-L125 VanDerWaalsContact C-N 3.27Å; S123-L125 PolarHBondContact O-N 3.04Å |
| 124 | D | 82.1 | Confident | 83.1 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 15.1 | -171.9 | -63.3 | -12.9 | 0 | 0 | 0 | 113.7 | Y60 R79 S122 A140 D141 | Y60-D124 VanDerWaalsContact CE2-OD1 3.27Å; Y60-D124 WeakPolarHBondContact CE2-OD1 3.28Å; R79-D124 IonicContact CZ-OD1 3.73Å; R79-D124 IonicContact CZ-OD2 3.98Å; R79-D124 IonicContact NH1-OD1 3.99Å; R79-D124 PolarHBondContact NH1-OD1 3.17Å; R79-D124 IonicContact NH1-OD2 3.89Å; R79-D124 PolarHBondContact NH1-OD2 3.32Å; S122-D124 PolarHBondContact O-N 3.01Å; D124-A140 VanDerWaalsContact O-CB 3.27Å; D124-A140 WeakPolarHBondContact O-CB 3.35Å; D124-A140 PolarHBondContact O-N 3.32Å; D124-D141 HydrophobicContact CB-CB 4.2Å |
| 125 | L | 89.3 | Confident | 83.2 | Confident | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.9 | -177.2 | -61.4 | -175.7 | 0 | 0 | 0 | 111.7 | L116 S122 S123 L137 W138 N139 L146 V185 | L116-L125 HydrophobicContact CB-CB 4.25Å; L116-L125 HydrophobicContact CD1-CB 3.86Å; L116-L125 HydrophobicContact CD1-CD1 4.09Å; L116-L125 HydrophobicContact CG-CB 4.16Å; L116-L125 PolarHBondContact N-O 2.78Å; S122-L125 VanDerWaalsContact OG-CD1 3.26Å; S122-L125 WeakPolarHBondContact OG-CD1 3.42Å; S123-L125 VanDerWaalsContact C-N 3.27Å; S123-L125 PolarHBondContact O-N 3.04Å; L125-L137 HydrophobicContact CB-CD1 4.41Å; L125-W138 WeakPolarHBondContact CA-O 3.39Å; L125-N139 HydrophobicContact CD2-CB 4.41Å; L125-L146 HydrophobicContact CD2-CD1 3.48Å; L125-L146 VanDerWaalsContact CD2-CD1 3.48Å; L125-V185 HydrophobicContact CD1-CB 4.33Å; L125-V185 HydrophobicContact CD1-CG1 3.49Å; L125-V185 VanDerWaalsContact CD1-CG1 3.49Å; L125-V185 HydrophobicContact CD1-CG2 3.83Å |
| 126 | L | 92.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.8 | -178.3 | -168.1 | 73.9 | 0 | 0 | 0 | 109.9 | A81 I89 F103 M113 W115 V128 W138 A140 | A81-L126 HydrophobicContact CB-CD1 4.47Å; A81-L126 HydrophobicContact CB-CD2 4.16Å; I89-L126 HydrophobicContact CG2-CD2 4.07Å; F103-L126 HydrophobicContact CE2-CD2 4.19Å; F103-L126 HydrophobicContact CZ-CD2 3.91Å; M113-L126 HydrophobicContact CG-CD1 3.72Å; M113-L126 HydrophobicContact CG-CD2 3.93Å; M113-L126 HydrophobicContact CG-CG 3.92Å; M113-L126 HydrophobicContact SD-CD1 4.37Å; M113-L126 HydrophobicContact SD-CD2 3.78Å; M113-L126 HydrophobicContact SD-CG 4.43Å; W115-L126 HydrophobicContact CD2-CD1 3.58Å; W115-L126 HydrophobicContact CE3-CB 4.24Å; W115-L126 HydrophobicContact CE3-CD1 3.89Å; W115-L126 HydrophobicContact CG-CD1 3.96Å; W115-L126 HydrophobicContact CH2-CD1 4.44Å; W115-L126 HydrophobicContact CZ2-CD1 4.18Å; W115-L126 HydrophobicContact CZ3-CB 4.22Å; W115-L126 HydrophobicContact CZ3-CD1 4.29Å; L126-V128 HydrophobicContact CD2-CG2 4.07Å; L126-V128 HydrophobicContact CG-CG2 4.05Å; L126-W138 HydrophobicContact CB-CB 4.49Å; L126-W138 PolarHBondContact N-O 3.5Å; L126-W138 PolarHBondContact O-N 3.39Å; L126-A140 HydrophobicContact CB-CB 4.13Å |
| 127 | V | 94.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.5 | 172.3 | 67.2 | 0 | 0 | 0 | 0 | 109.6 | M113 Q114 L116 L135 L137 M158 L160 F183 | M113-V127 WeakPolarHBondContact CA-O 3.47Å; Q114-V127 HydrophobicContact CB-CG1 4.17Å; Q114-V127 PolarHBondContact N-O 3.39Å; Q114-V127 WeakPolarHBondContact O-CG1 3.31Å; Q114-V127 PolarHBondContact O-N 3.23Å; L116-V127 HydrophobicContact CD2-CB 4.31Å; L116-V127 HydrophobicContact CD2-CG1 3.99Å; V127-L135 HydrophobicContact CG2-CD1 3.6Å; V127-L135 HydrophobicContact CG2-CG 4.27Å; V127-L137 HydrophobicContact CB-CD1 4.16Å; V127-M158 HydrophobicContact CG1-CE 4.05Å; V127-M158 HydrophobicContact CG2-SD 4.45Å; V127-L160 HydrophobicContact CG1-CD1 3.93Å; V127-F183 HydrophobicContact CG2-CE2 4.12Å; V127-F183 HydrophobicContact CG2-CZ 4.27Å |
| 128 | V | 96.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 128.5 | -174.8 | -170.9 | 0 | 0 | 0 | 0 | 110 | I89 V110 M113 L126 H130 T136 | I89-V128 HydrophobicContact CD1-CB 4.26Å; I89-V128 HydrophobicContact CD1-CG1 3.84Å; I89-V128 HydrophobicContact CD1-CG2 3.66Å; V110-V128 HydrophobicContact CB-CG1 4.46Å; V110-V128 HydrophobicContact CG1-CG1 3.78Å; V110-V128 HydrophobicContact CG2-CG1 3.9Å; M113-V128 HydrophobicContact CG-CG2 4.2Å; L126-V128 HydrophobicContact CD2-CG2 4.07Å; L126-V128 HydrophobicContact CG-CG2 4.05Å; V128-H130 VanDerWaalsContact CG1-NE2 3.29Å; V128-H130 WeakPolarHBondContact CG1-NE2 3.3Å; V128-T136 PolarHBondContact N-O 3.21Å; V128-T136 PolarHBondContact O-N 3.44Å |
| 129 | L | 95.6 | Very high | 86 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 116.4 | 169.7 | 179.2 | 65.6 | 0 | 0 | 0 | 109 | I111 D112 L155 M158 F170 | I111-L129 HydrophobicContact CB-CD2 4.13Å; I111-L129 HydrophobicContact CB-CG 4.14Å; I111-L129 HydrophobicContact CD1-CG 4.48Å; I111-L129 HydrophobicContact CG2-CD2 3.97Å; I111-L129 PolarHBondContact N-O 3.11Å; D112-L129 PolarHBondContact N-O 3.46Å; D112-L129 PolarHBondContact O-N 2.94Å; L129-L155 HydrophobicContact CD1-CB 4.12Å; L129-L155 HydrophobicContact CD1-CD1 3.77Å; L129-L155 HydrophobicContact CD2-CB 4.03Å; L129-M158 HydrophobicContact CB-SD 4.23Å; L129-M158 HydrophobicContact CD2-CB 3.97Å; L129-F170 HydrophobicContact CD2-CD1 4.41Å |
| 130 | H | 95.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 150.4 | 175.2 | -60.8 | -96.8 | 0 | 0 | 0 | 111.5 | A108 P109 V128 A133 V134 W138 | A108-H130 HydrophobicContact CB-CB 4.04Å; A108-H130 PolarHBondContact O-ND1 3.17Å; A108-H130 VanDerWaalsContact O-ND1 3.1Å; P109-H130 CarbonylContact O-C 3.56Å; P109-H130 WeakPolarHBondContact O-CA 3.29Å; V128-H130 VanDerWaalsContact CG1-NE2 3.29Å; V128-H130 WeakPolarHBondContact CG1-NE2 3.3Å; H130-A133 PolarHBondContact O-N 2.98Å; H130-V134 HydrophobicContact CB-CB 4.17Å; H130-V134 PolarHBondContact N-O 2.92Å; H130-V134 PolarHBondContact O-N 3.35Å; H130-W138 AromaticContact NE2-NE1 3.84Å |
| 131 | Q | 92.1 | Very high | 88 | Confident | 95 Ų | 95 | 21.5 Ų | 21.5 | 44% | 0.444 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 145.3 | 172.5 | -158.9 | 173.2 | 2.8 | 0 | 0 | 110.9 | A108 P109 I111 | A108-Q131 WeakPolarHBondContact CB-O 3.5Å; P109-Q131 HydrophobicContact CB-CB 4.33Å; P109-Q131 HydrophobicContact CG-CB 4.44Å; P109-Q131 PolarHBondContact O-N 2.71Å; I111-Q131 HydrophobicContact CD1-CB 3.96Å; I111-Q131 HydrophobicContact CD1-CG 4.24Å; I111-Q131 HydrophobicContact CG1-CB 4.18Å |
| 132 | P | 91.1 | Very high | 89.3 | Confident | 80 Ų | 80 | 25.2 Ų | 25.2 | 52% | 0.519 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -74.7 | -33.8 | -3.9 | 29.1 | -33.2 | 0 | 0 | 0 | 114.2 | P154 L155 | P132-P154 HydrophobicContact CB-CB 4.23Å; P132-P154 HydrophobicContact CB-CG 4.4Å; P132-P154 CarbonylContact O-C 3.6Å; P132-P154 WeakPolarHBondContact O-CA 3.49Å; P132-L155 PolarHBondContact O-N 3.48Å |
| 133 | A | 92 | Very high | 90.5 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.033 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -160.4 | 34 | -167.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H130 S150 H151 D153 L155 | H130-A133 PolarHBondContact O-N 2.98Å; A133-S150 CarbonylContact O-C 3.56Å; A133-S150 WeakPolarHBondContact O-CA 3.5Å; A133-H151 HydrophobicContact CB-CB 4.06Å; A133-H151 VanDerWaalsContact CB-O 3.24Å; A133-H151 WeakPolarHBondContact CB-O 3.24Å; A133-H151 PolarHBondContact O-N 3.47Å; A133-D153 VanDerWaalsContact CB-O 3.27Å; A133-D153 WeakPolarHBondContact CB-O 3.16Å; A133-L155 HydrophobicContact CB-CG 4.19Å |
| 134 | V | 93.3 | Very high | 91.6 | Very high | 20 Ų | 20 | 26.1 Ų | 26.1 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.2 | -172.3 | 171.2 | 0 | 0 | 0 | 0 | 109.8 | H130 K148 | H130-V134 HydrophobicContact CB-CB 4.17Å; H130-V134 PolarHBondContact N-O 2.92Å; H130-V134 PolarHBondContact O-N 3.35Å; V134-K148 HydrophobicContact CG1-CD 3.96Å; V134-K148 VanDerWaalsContact CG1-CE 3.44Å; V134-K148 HydrophobicContact CG1-CG 3.88Å |
| 135 | L | 94.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.4 | 171.9 | -175.4 | 71.1 | 0 | 0 | 0 | 109.1 | V127 W147 K148 T149 M158 F170 F192 | V127-L135 HydrophobicContact CG2-CD1 3.6Å; V127-L135 HydrophobicContact CG2-CG 4.27Å; L135-W147 HydrophobicContact CD2-CH2 4.11Å; L135-W147 HydrophobicContact CD2-CZ3 4.13Å; L135-W147 HydrophobicContact CG-CH2 4.42Å; L135-W147 HydrophobicContact CG-CZ3 4.17Å; L135-K148 WeakPolarHBondContact O-CA 3.38Å; L135-T149 HydrophobicContact CB-CG2 3.91Å; L135-T149 HydrophobicContact CD2-CG2 4.22Å; L135-T149 PolarHBondContact N-O 2.88Å; L135-T149 PolarHBondContact O-N 2.57Å; L135-M158 HydrophobicContact CD1-SD 3.81Å; L135-F170 HydrophobicContact CD1-CE1 4.21Å; L135-F170 HydrophobicContact CD1-CZ 4.33Å; L135-F170 HydrophobicContact CD2-CZ 3.96Å; L135-F192 HydrophobicContact CB-CE1 4.4Å; L135-F192 HydrophobicContact CB-CZ 3.95Å; L135-F192 HydrophobicContact CD2-CE1 4.46Å; L135-F192 HydrophobicContact CD2-CZ 4.48Å |
| 136 | T | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.2 | -178.8 | -50.5 | 0 | 0 | 0 | 0 | 110.2 | V128 W138 K145 W147 K148 | V128-T136 PolarHBondContact N-O 3.21Å; V128-T136 PolarHBondContact O-N 3.44Å; T136-W138 HydrophobicContact CG2-CD2 3.96Å; T136-W138 HydrophobicContact CG2-CG 4.25Å; T136-W138 HydrophobicContact CG2-CZ2 3.69Å; T136-W138 VanDerWaalsContact CG2-NE1 3.26Å; T136-K145 HydrophobicContact CG2-CD 3.91Å; T136-K145 HydrophobicContact CG2-CG 3.68Å; T136-W147 WeakPolarHBondContact CG2-O 3.28Å; T136-K148 HydrophobicContact CG2-CB 4.42Å |
| 137 | L | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 125.1 | 168.9 | -174 | 67.5 | 0 | 0 | 0 | 109.7 | L116 L125 V127 L146 W147 V185 | L116-L137 HydrophobicContact CD1-CD1 3.73Å; L116-L137 HydrophobicContact CG-CD1 4.36Å; L125-L137 HydrophobicContact CB-CD1 4.41Å; V127-L137 HydrophobicContact CB-CD1 4.16Å; L137-L146 HydrophobicContact CD2-CB 4.39Å; L137-L146 HydrophobicContact CD2-CD1 3.89Å; L137-L146 HydrophobicContact CG-CB 4.43Å; L137-L146 HydrophobicContact CG-CD1 4.07Å; L137-L146 PolarHBondContact O-N 3Å; L137-W147 HydrophobicContact CB-CD2 3.77Å; L137-W147 VanDerWaalsContact CB-CE2 3.45Å; L137-W147 HydrophobicContact CB-CE3 4.17Å; L137-W147 HydrophobicContact CB-CG 4.32Å; L137-W147 HydrophobicContact CB-CH2 4.01Å; L137-W147 HydrophobicContact CB-CZ2 3.6Å; L137-W147 HydrophobicContact CB-CZ3 4.27Å; L137-W147 HydrophobicContact CD2-CZ2 3.83Å; L137-W147 VanDerWaalsContact CD2-NE1 3.31Å; L137-W147 HydrophobicContact CG-CZ2 4.26Å; L137-W147 PolarHBondContact N-O 3.35Å; L137-W147 PolarHBondContact O-N 2.83Å; L137-V185 HydrophobicContact CD2-CB 4.28Å; L137-V185 HydrophobicContact CD2-CG1 4.04Å; L137-V185 HydrophobicContact CD2-CG2 4.31Å |
| 138 | W | 93.7 | Very high | 92.3 | Very high | 11 Ų | 11 | 39 Ų | 39 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 143.4 | -178.7 | -59 | 92 | 0 | 0 | 0 | 110.5 | F103 E105 L125 L126 H130 T136 T144 K145 | F103-W138 HydrophobicContact CB-CE3 4.4Å; F103-W138 HydrophobicContact CB-CZ3 4.16Å; F103-W138 HydrophobicContact CD2-CB 4.41Å; F103-W138 AromaticContact CD2-CD2 3.59Å; F103-W138 HydrophobicContact CD2-CD2 3.59Å; F103-W138 AromaticContact CD2-CE3 3.63Å; F103-W138 HydrophobicContact CD2-CE3 3.63Å; F103-W138 AromaticContact CD2-CG 3.96Å; F103-W138 HydrophobicContact CD2-CG 3.96Å; F103-W138 HydrophobicContact CD2-CH2 4.44Å; F103-W138 HydrophobicContact CD2-CZ2 4.42Å; F103-W138 HydrophobicContact CD2-CZ3 4.07Å; F103-W138 HydrophobicContact CE2-CB 3.84Å; F103-W138 AromaticContact CE2-CD2 3.84Å; F103-W138 HydrophobicContact CE2-CD2 3.84Å; F103-W138 HydrophobicContact CE2-CE3 4.23Å; F103-W138 AromaticContact CE2-CG 3.66Å; F103-W138 HydrophobicContact CE2-CG 3.66Å; F103-W138 HydrophobicContact CG-CE3 4.24Å; F103-W138 HydrophobicContact CG-CZ3 4.47Å; F103-W138 HydrophobicContact CZ-CB 4.37Å; E105-W138 WeakPolarHBondContact OE2-CH2 3.48Å; E105-W138 WeakPolarHBondContact OE2-CZ2 3.39Å; L125-W138 WeakPolarHBondContact CA-O 3.39Å; L126-W138 HydrophobicContact CB-CB 4.49Å; L126-W138 PolarHBondContact N-O 3.5Å; L126-W138 PolarHBondContact O-N 3.39Å; H130-W138 AromaticContact NE2-NE1 3.84Å; T136-W138 HydrophobicContact CG2-CD2 3.96Å; T136-W138 HydrophobicContact CG2-CG 4.25Å; T136-W138 HydrophobicContact CG2-CZ2 3.69Å; T136-W138 VanDerWaalsContact CG2-NE1 3.26Å; W138-T144 CarbonylContact C-O 3.57Å; W138-T144 WeakPolarHBondContact CA-O 3.25Å; W138-K145 HydrophobicContact CE3-CB 3.9Å; W138-K145 HydrophobicContact CH2-CB 4.32Å; W138-K145 HydrophobicContact CZ3-CB 3.74Å; W138-K145 HydrophobicContact CZ3-CG 4.44Å |
| 139 | N | 91.5 | Very high | 92.1 | Very high | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 108 | 155.2 | 176.2 | -8.3 | 0 | 0 | 0 | 107.3 | L125 D141 G143 T144 L146 | L125-N139 HydrophobicContact CD2-CB 4.41Å; N139-D141 VanDerWaalsContact C-N 3.33Å; N139-D141 PolarHBondContact O-N 2.84Å; N139-D141 PolarHBondContact OD1-N 3.01Å; N139-D141 VanDerWaalsContact OD1-N 3.15Å; N139-G143 CarbonylContact O-C 3.47Å; N139-G143 VanDerWaalsContact O-CA 3.29Å; N139-G143 WeakPolarHBondContact O-CA 3.34Å; N139-G143 PolarHBondContact O-N 2.75Å; N139-T144 PolarHBondContact N-O 3.01Å; N139-T144 PolarHBondContact O-N 3.04Å; N139-T144 VanDerWaalsContact O-N 3.08Å; N139-L146 HydrophobicContact CB-CG 4.41Å |
| 140 | A | 90 | Very high | 91.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -17.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V91 C101 F103 W115 D124 L126 | V91-A140 HydrophobicContact CG2-CB 4.04Å; C101-A140 PolarHBondContact SG-O 3.21Å; F103-A140 HydrophobicContact CE1-CB 4.36Å; F103-A140 HydrophobicContact CZ-CB 4.11Å; W115-A140 HydrophobicContact CH2-CB 3.47Å; W115-A140 VanDerWaalsContact CH2-CB 3.47Å; W115-A140 HydrophobicContact CZ3-CB 3.51Å; D124-A140 VanDerWaalsContact O-CB 3.27Å; D124-A140 WeakPolarHBondContact O-CB 3.35Å; D124-A140 PolarHBondContact O-N 3.32Å; L126-A140 HydrophobicContact CB-CB 4.13Å |
| 141 | D | 84.5 | Confident | 91.6 | Very high | 78 Ų | 78 | 45.5 Ų | 45.5 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -45 | 176.1 | -172.9 | 47.8 | 0 | 0 | 0 | 110.9 | R79 D124 N139 | R79-D141 IonicContact NH2-OD1 3.65Å; D124-D141 HydrophobicContact CB-CB 4.2Å; N139-D141 VanDerWaalsContact C-N 3.33Å; N139-D141 PolarHBondContact O-N 2.84Å; N139-D141 PolarHBondContact OD1-N 3.01Å; N139-D141 VanDerWaalsContact OD1-N 3.15Å |
| 142 | Q | 86.4 | Confident | 91.3 | Very high | 133 Ų | 133 | 44.9 Ų | 44.9 | 62% | 0.621 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -9.3 | -179 | -60.6 | -179.2 | -4.8 | 0 | 0 | 113.6 | T144 | Q142-T144 HydrophobicContact CB-CG2 3.8Å; Q142-T144 PolarHBondContact O-N 3.43Å |
| 143 | G | 90.3 | Very high | 91.2 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 24.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N139 | N139-G143 CarbonylContact O-C 3.47Å; N139-G143 VanDerWaalsContact O-CA 3.29Å; N139-G143 WeakPolarHBondContact O-CA 3.34Å; N139-G143 PolarHBondContact O-N 2.75Å |
| 144 | T | 92.1 | Very high | 91.2 | Very high | 57 Ų | 57 | 44.8 Ų | 44.8 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 140 | -177.4 | 53.7 | 0 | 0 | 0 | 0 | 111.2 | W138 N139 Q142 | W138-T144 CarbonylContact C-O 3.57Å; W138-T144 WeakPolarHBondContact CA-O 3.25Å; N139-T144 PolarHBondContact N-O 3.01Å; N139-T144 PolarHBondContact O-N 3.04Å; N139-T144 VanDerWaalsContact O-N 3.08Å; Q142-T144 HydrophobicContact CB-CG2 3.8Å; Q142-T144 PolarHBondContact O-N 3.43Å |
| 145 | K | 93.2 | Very high | 91.2 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 38% | 0.378 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 117.9 | 177.2 | -174 | 174.9 | -66.4 | 165.9 | 0 | 109.5 | E105 T136 W138 K148 | E105-K145 IonicContact OE1-NZ 2.69Å; E105-K145 PolarHBondContact OE1-NZ 3.32Å; E105-K145 WeakPolarHBondContact OE2-CE 3.27Å; E105-K145 IonicContact OE2-NZ 2.95Å; E105-K145 PolarHBondContact OE2-NZ 2.94Å; T136-K145 HydrophobicContact CG2-CD 3.91Å; T136-K145 HydrophobicContact CG2-CG 3.68Å; W138-K145 HydrophobicContact CE3-CB 3.9Å; W138-K145 HydrophobicContact CH2-CB 4.32Å; W138-K145 HydrophobicContact CZ3-CB 3.74Å; W138-K145 HydrophobicContact CZ3-CG 4.44Å; K145-K148 HydrophobicContact CD-CB 4.17Å |
| 146 | L | 91.7 | Very high | 91 | Very high | 83 Ų | 83 | 49 Ų | 49 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -49.5 | 175.6 | -67.4 | 176.1 | 0 | 0 | 0 | 110.5 | L125 L137 N139 | L125-L146 HydrophobicContact CD2-CD1 3.48Å; L125-L146 VanDerWaalsContact CD2-CD1 3.48Å; L137-L146 HydrophobicContact CD2-CB 4.39Å; L137-L146 HydrophobicContact CD2-CD1 3.89Å; L137-L146 HydrophobicContact CG-CB 4.43Å; L137-L146 HydrophobicContact CG-CD1 4.07Å; L137-L146 PolarHBondContact O-N 3Å; N139-L146 HydrophobicContact CB-CG 4.41Å |
| 147 | W | 93.5 | Very high | 91 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 166.9 | 173.1 | 52.5 | -106 | 0 | 0 | 0 | 112.2 | L135 T136 L137 T149 F183 S184 V185 V188 P189 | L135-W147 HydrophobicContact CD2-CH2 4.11Å; L135-W147 HydrophobicContact CD2-CZ3 4.13Å; L135-W147 HydrophobicContact CG-CH2 4.42Å; L135-W147 HydrophobicContact CG-CZ3 4.17Å; T136-W147 WeakPolarHBondContact CG2-O 3.28Å; L137-W147 HydrophobicContact CB-CD2 3.77Å; L137-W147 VanDerWaalsContact CB-CE2 3.45Å; L137-W147 HydrophobicContact CB-CE3 4.17Å; L137-W147 HydrophobicContact CB-CG 4.32Å; L137-W147 HydrophobicContact CB-CH2 4.01Å; L137-W147 HydrophobicContact CB-CZ2 3.6Å; L137-W147 HydrophobicContact CB-CZ3 4.27Å; L137-W147 HydrophobicContact CD2-CZ2 3.83Å; L137-W147 VanDerWaalsContact CD2-NE1 3.31Å; L137-W147 HydrophobicContact CG-CZ2 4.26Å; L137-W147 PolarHBondContact N-O 3.35Å; L137-W147 PolarHBondContact O-N 2.83Å; W147-T149 HydrophobicContact CZ3-CG2 4.15Å; W147-F183 HydrophobicContact CH2-CD2 4.19Å; W147-F183 AromaticContact CH2-CE2 3.61Å; W147-F183 HydrophobicContact CH2-CE2 3.61Å; W147-F183 HydrophobicContact CH2-CZ 4.36Å; W147-F183 HydrophobicContact CZ2-CD2 4.44Å; W147-F183 AromaticContact CZ2-CE2 3.82Å; W147-F183 HydrophobicContact CZ2-CE2 3.82Å; W147-F183 HydrophobicContact CZ2-CZ 4.18Å; W147-S184 WeakPolarHBondContact CZ2-O 3.42Å; W147-S184 PolarHBondContact NE1-O 3.24Å; W147-V185 PolarHBondContact NE1-O 3.28Å; W147-V188 HydrophobicContact CB-CG2 3.44Å; W147-V188 VanDerWaalsContact CB-CG2 3.44Å; W147-V188 HydrophobicContact CD2-CG2 4.45Å; W147-V188 HydrophobicContact CE3-CG1 4.3Å; W147-V188 HydrophobicContact CG-CG2 3.84Å; W147-P189 HydrophobicContact CH2-CG 4.37Å |
| 148 | K | 92.8 | Very high | 91 | Very high | 97 Ų | 97 | 50.1 Ų | 50.1 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 141 | 179 | 169.2 | 176.3 | 173.5 | 166.5 | 0 | 110 | E105 V134 L135 T136 K145 | E105-K148 IonicContact OE1-NZ 3.6Å; E105-K148 PolarHBondContact OE1-NZ 3.09Å; V134-K148 HydrophobicContact CG1-CD 3.96Å; V134-K148 VanDerWaalsContact CG1-CE 3.44Å; V134-K148 HydrophobicContact CG1-CG 3.88Å; L135-K148 WeakPolarHBondContact O-CA 3.38Å; T136-K148 HydrophobicContact CG2-CB 4.42Å; K145-K148 HydrophobicContact CD-CB 4.17Å |
| 149 | T | 92.4 | Very high | 91.1 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 14% | 0.135 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 156.3 | 170.3 | -172.9 | 0 | 0 | 0 | 0 | 110 | L135 W147 P189 F192 | L135-T149 HydrophobicContact CB-CG2 3.91Å; L135-T149 HydrophobicContact CD2-CG2 4.22Å; L135-T149 PolarHBondContact N-O 2.88Å; L135-T149 PolarHBondContact O-N 2.57Å; W147-T149 HydrophobicContact CZ3-CG2 4.15Å; T149-P189 HydrophobicContact CG2-CG 4.48Å; T149-F192 HydrophobicContact CG2-CE2 3.8Å; T149-F192 HydrophobicContact CG2-CZ 3.87Å |
| 150 | S | 91.1 | Very high | 91.1 | Very high | 83 Ų | 83 | 48.7 Ų | 48.7 | 58% | 0.58 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.6 | -178.7 | 57.4 | 0 | 0 | 0 | 0 | 110.9 | A133 | A133-S150 CarbonylContact O-C 3.56Å; A133-S150 WeakPolarHBondContact O-CA 3.5Å |
| 151 | H | 89.5 | Confident | 91.2 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | trans | -90.2 | 155.7 | 171.1 | -171.7 | -106.1 | 0 | 0 | 0 | 110.9 | A133 D153 L155 F192 | A133-H151 HydrophobicContact CB-CB 4.06Å; A133-H151 VanDerWaalsContact CB-O 3.24Å; A133-H151 WeakPolarHBondContact CB-O 3.24Å; A133-H151 PolarHBondContact O-N 3.47Å; H151-D153 IonicContact CE1-OD2 3.68Å; H151-D153 PolarHBondContact ND1-N 3.1Å; H151-D153 PolarHBondContact ND1-O 3.34Å; H151-D153 VanDerWaalsContact ND1-O 3.09Å; H151-L155 HydrophobicContact CB-CD1 4.15Å; H151-L155 HydrophobicContact CB-CG 4.42Å; H151-F192 HydrophobicContact CB-CD1 4.18Å; H151-F192 HydrophobicContact CB-CD2 3.64Å; H151-F192 HydrophobicContact CB-CE1 4.18Å; H151-F192 HydrophobicContact CB-CE2 3.65Å; H151-F192 HydrophobicContact CB-CG 3.92Å; H151-F192 HydrophobicContact CB-CZ 3.91Å; H151-F192 AromaticContact CD2-CD2 3.75Å; H151-F192 AromaticContact CD2-CG 3.63Å | ||
| 152 | C | 86.9 | Confident | 91.4 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -73.4 | -36.1 | -179.5 | 54.5 | 0 | 0 | 0 | 0 | 113 | K217 | C152-K217 PolarHBondContact SG-NZ 3.48Š|
| 153 | D | 88.4 | Confident | 91.3 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 17% | 0.166 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -95.9 | 140.8 | -179.3 | -53.9 | -21 | 0 | 0 | 0 | 110.1 | A133 H151 L155 N172 F174 | A133-D153 VanDerWaalsContact CB-O 3.27Å; A133-D153 WeakPolarHBondContact CB-O 3.16Å; H151-D153 IonicContact CE1-OD2 3.68Å; H151-D153 PolarHBondContact ND1-N 3.1Å; H151-D153 PolarHBondContact ND1-O 3.34Å; H151-D153 VanDerWaalsContact ND1-O 3.09Å; D153-L155 PolarHBondContact O-N 3.45Å; D153-N172 HydrophobicContact CB-CB 4.21Å; D153-N172 PolarHBondContact OD2-ND2 3.37Å; D153-F174 HydrophobicContact CB-CD2 4.46Å; D153-F174 HydrophobicContact CB-CE2 4.21Å |
| 154 | P | 91.6 | Very high | 91.1 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -56.2 | 130.6 | 174.1 | -22.4 | 31.4 | 0 | 0 | 0 | 111.7 | P132 N172 S173 | P132-P154 HydrophobicContact CB-CB 4.23Å; P132-P154 HydrophobicContact CB-CG 4.4Å; P132-P154 CarbonylContact O-C 3.6Å; P132-P154 WeakPolarHBondContact O-CA 3.49Å; P154-N172 CarbonylContact O-C 3.58Å; P154-N172 VanDerWaalsContact O-CA 3.26Å; P154-N172 WeakPolarHBondContact O-CA 3.13Å; P154-N172 WeakPolarHBondContact O-CB 3.39Å; P154-S173 PolarHBondContact O-N 2.89Å; P154-S173 PolarHBondContact O-OG 3.25Å |
| 155 | L | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 145.4 | 177.6 | -58.5 | -178.6 | 0 | 0 | 0 | 109.5 | I111 L129 P132 A133 H151 D153 F170 L171 N172 I178 F192 | I111-L155 WeakPolarHBondContact CD1-O 3.23Å; L129-L155 HydrophobicContact CD1-CB 4.12Å; L129-L155 HydrophobicContact CD1-CD1 3.77Å; L129-L155 HydrophobicContact CD2-CB 4.03Å; P132-L155 PolarHBondContact O-N 3.48Å; A133-L155 HydrophobicContact CB-CG 4.19Å; H151-L155 HydrophobicContact CB-CD1 4.15Å; H151-L155 HydrophobicContact CB-CG 4.42Å; D153-L155 PolarHBondContact O-N 3.45Å; L155-F170 HydrophobicContact CD1-CB 4.35Å; L155-F170 HydrophobicContact CD1-CD1 3.96Å; L155-F170 HydrophobicContact CD1-CG 4.18Å; L155-F170 HydrophobicContact CD2-CB 4.12Å; L155-L171 CarbonylContact C-O 3.54Å; L155-L171 WeakPolarHBondContact CA-O 3.31Å; L155-N172 HydrophobicContact CD2-CB 4.06Å; L155-I178 HydrophobicContact CD2-CD1 3.94Å; L155-F192 HydrophobicContact CD1-CD1 4.25Å; L155-F192 HydrophobicContact CD1-CE1 3.74Å; L155-F192 HydrophobicContact CD1-CZ 4.38Å |
| 156 | M | 91.4 | Very high | 90.1 | Very high | 109 Ų | 109 | 42.1 Ų | 42.1 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -23.1 | -174.2 | -63.3 | -61.3 | -64.6 | 0 | 0 | 113 | I111 L171 | I111-M156 WeakPolarHBondContact CG2-O 3.41Å; M156-L171 PolarHBondContact N-O 2.86Å |
| 157 | A | 93 | Very high | 90.1 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 156.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F170 L171 I266 | A157-F170 VanDerWaalsContact O-CA 3.31Å; A157-F170 WeakPolarHBondContact O-CA 3.39Å; A157-L171 HydrophobicContact CB-CB 4.07Å; A157-L171 PolarHBondContact O-N 3.29Å; A157-L171 VanDerWaalsContact O-N 3.1Å; A157-I266 HydrophobicContact CB-CD1 4.13Å; A157-I266 HydrophobicContact CB-CG1 3.81Å |
| 158 | M | 94.5 | Very high | 90.1 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.2 | 176.1 | -178.2 | 176.2 | 69.7 | 0 | 0 | 109.2 | D112 Q114 V127 L129 L135 V168 A169 F170 | D112-M158 HydrophobicContact CB-CB 4.17Å; D112-M158 HydrophobicContact CB-CE 4.17Å; Q114-M158 HydrophobicContact CG-CE 4.35Å; V127-M158 HydrophobicContact CG1-CE 4.05Å; V127-M158 HydrophobicContact CG2-SD 4.45Å; L129-M158 HydrophobicContact CB-SD 4.23Å; L129-M158 HydrophobicContact CD2-CB 3.97Å; L135-M158 HydrophobicContact CD1-SD 3.81Å; M158-V168 HydrophobicContact CG-CG1 3.77Å; M158-V168 HydrophobicContact SD-CG1 4.33Å; M158-A169 CarbonylContact C-O 3.59Å; M158-A169 WeakPolarHBondContact CA-O 3.34Å; M158-F170 HydrophobicContact CB-CD1 4.07Å; M158-F170 HydrophobicContact CB-CE1 4.11Å; M158-F170 HydrophobicContact CG-CD1 4.02Å; M158-F170 HydrophobicContact CG-CE1 3.62Å; M158-F170 HydrophobicContact CG-CZ 4.44Å; M158-F170 HydrophobicContact SD-CE1 3.86Å |
| 159 | A | 95 | Very high | 90.2 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 5% | 0.05 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 129.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V168 A169 I266 F268 L276 | A159-V168 WeakPolarHBondContact O-CA 3.38Å; A159-V168 WeakPolarHBondContact O-CG1 3.24Å; A159-A169 HydrophobicContact CB-CB 4.47Å; A159-A169 PolarHBondContact N-O 2.71Å; A159-A169 PolarHBondContact O-N 2.95Å; A159-I266 HydrophobicContact CB-CD1 4.25Å; A159-I266 HydrophobicContact CB-CG1 4.07Å; A159-F268 HydrophobicContact CB-CD2 3.69Å; A159-F268 HydrophobicContact CB-CE2 4.02Å; A159-F268 WeakPolarHBondContact O-CE2 3.45Å; A159-L276 HydrophobicContact CB-CD1 4.45Å |
| 160 | L | 92.7 | Very high | 90.3 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 136.1 | 171.4 | -66.8 | 169.3 | 0 | 0 | 0 | 109 | Q114 L116 W118 V127 P162 V168 F268 | Q114-L160 HydrophobicContact CB-CD1 3.7Å; Q114-L160 HydrophobicContact CG-CD1 4.38Å; Q114-L160 VanDerWaalsContact OE1-CD1 3.32Å; L116-L160 HydrophobicContact CD2-CD1 4.3Å; W118-L160 HydrophobicContact CH2-CB 3.91Å; W118-L160 HydrophobicContact CZ2-CB 3.92Å; W118-L160 HydrophobicContact CZ2-CD1 4.08Å; W118-L160 HydrophobicContact CZ2-CD2 4.33Å; W118-L160 HydrophobicContact CZ2-CG 4.35Å; V127-L160 HydrophobicContact CG1-CD1 3.93Å; L160-P162 WeakPolarHBondContact O-CD 3.41Å; L160-V168 HydrophobicContact CD2-CB 4.44Å; L160-V168 HydrophobicContact CD2-CG1 4.05Å; L160-V168 HydrophobicContact CD2-CG2 3.69Å; L160-F268 VanDerWaalsContact C-CD2 3.45Å; L160-F268 VanDerWaalsContact O-CD2 3.29Å; L160-F268 WeakPolarHBondContact O-CD2 3.46Å |
| 161 | D | 91.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | trans | -75.1 | 119.4 | 176.8 | -169.4 | -31.6 | 0 | 0 | 0 | 109.8 | W118 F163 H164 R167 F268 | W118-D161 VanDerWaalsContact CH2-O 3.28Å; W118-D161 WeakPolarHBondContact CH2-O 3.19Å; W118-D161 WeakPolarHBondContact CZ3-O 3.27Å; D161-F163 PolarHBondContact O-N 2.94Å; D161-F163 PolarHBondContact OD1-N 2.95Å; D161-H164 HydrophobicContact CB-CB 4.34Å; D161-H164 PolarHBondContact OD1-N 2.87Å; D161-R167 HydrophobicContact CB-CB 3.84Å; D161-R167 HydrophobicContact CB-CG 4.23Å; D161-R167 PolarHBondContact N-O 2.97Å; D161-R167 VanDerWaalsContact N-O 3.1Å; D161-R167 WeakPolarHBondContact OD2-CD 3.29Å; D161-R167 IonicContact OD2-CZ 3.34Å; D161-R167 IonicContact OD2-NE 2.72Å; D161-R167 IonicContact OD2-NH1 3.89Å; D161-R167 PolarHBondContact OD2-NH1 3.12Å; D161-F268 HydrophobicContact CB-CD1 4.23Å; D161-F268 HydrophobicContact CB-CD2 4.08Å; D161-F268 HydrophobicContact CB-CE1 4.09Å; D161-F268 HydrophobicContact CB-CE2 3.91Å; D161-F268 HydrophobicContact CB-CG 4.23Å; D161-F268 HydrophobicContact CB-CZ 3.92Å | ||
| 162 | P | 87.9 | Confident | 90.4 | Very high | 37 Ų | 37 | 27.6 Ų | 27.6 | 24% | 0.24 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -68.1 | -20 | -178.5 | 25.9 | -31.2 | 0 | 0 | 0 | 113.5 | L160 F268 | L160-P162 WeakPolarHBondContact O-CD 3.41Å; P162-F268 VanDerWaalsContact CD-CB 3.4Å; P162-F268 HydrophobicContact CG-CB 4.23Å |
| 163 | F | 85.3 | Confident | 90.4 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 10% | 0.096 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -99.6 | -23.2 | -178.7 | -65.6 | -87.5 | 0 | 0 | 0 | 113.1 | D161 H269 S270 R273 F915 F916 | D161-F163 PolarHBondContact O-N 2.94Å; D161-F163 PolarHBondContact OD1-N 2.95Å; F163-H269 WeakPolarHBondContact CE2-O 3.28Å; F163-S270 WeakPolarHBondContact CE2-O 3.23Å; F163-S270 VanDerWaalsContact CZ-O 3.26Å; F163-S270 WeakPolarHBondContact CZ-O 3.49Å; F163-R273 HydrophobicContact CB-CB 4.21Å; F163-R273 HydrophobicContact CD1-CB 4.28Å; F163-R273 HydrophobicContact CD2-CB 4.27Å; F163-R273 HydrophobicContact CG-CB 4Å; F163-F915 VanDerWaalsContact CE1-C 3.44Å; F163-F915 WeakPolarHBondContact CE1-O 3.41Å; F163-F916 HydrophobicContact CD1-CD1 4.47Å |
| 164 | H | 84.7 | Confident | 90.2 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 15% | 0.153 | 16% | 0.163 | C | C | . | . | trans | -133.5 | 93.6 | -173.1 | -167.3 | -65.8 | 0 | 0 | 0 | 111.1 | D161 Q166 R167 E1039 | D161-H164 HydrophobicContact CB-CB 4.34Å; D161-H164 PolarHBondContact OD1-N 2.87Å; H164-Q166 PolarHBondContact O-N 3.35Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 WeakPolarHBondContact O-CB 3.47Å; H164-R167 PolarHBondContact O-N 3.46Å; H164-E1039 IonicContact CD2-OE2 2.77Å; H164-E1039 PolarHBondContact CD2-OE2 3.28Å | ||
| 165 | Y | 80.6 | Confident | 89.8 | Confident | 70 Ų | 70 | 30.6 Ų | 30.6 | 28% | 0.275 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.7 | -168.6 | 67.8 | -88.8 | 0 | 0 | 0 | 116 | W118 R167 | W118-Y165 HydrophobicContact CB-CG 4.49Å; W118-Y165 HydrophobicContact CG-CG 4.39Å; Y165-R167 VanDerWaalsContact C-N 3.34Å |
| 166 | Q | 85.2 | Confident | 89.6 | Confident | 71 Ų | 71 | 31.2 Ų | 31.2 | 33% | 0.332 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.9 | 176.4 | -52.3 | -179 | -1.8 | 0 | 0 | 113.2 | H164 N181 D182 F183 | H164-Q166 PolarHBondContact O-N 3.35Å; Q166-N181 VanDerWaalsContact CB-O 3.3Å; Q166-N181 WeakPolarHBondContact CB-O 3.33Å; Q166-N181 CarbonylContact O-C 3.55Å; Q166-N181 WeakPolarHBondContact O-CA 3.46Å; Q166-D182 PolarHBondContact O-N 3.37Å; Q166-F183 WeakPolarHBondContact CA-O 3.4Å; Q166-F183 VanDerWaalsContact O-CB 3.24Å; Q166-F183 WeakPolarHBondContact O-CB 3.19Å; Q166-F183 PolarHBondContact O-N 3.31Å |
| 167 | R | 90.6 | Very high | 89.6 | Confident | 21 Ų | 21 | 26 Ų | 26 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | trans | -99.7 | 127.8 | -174.9 | -172.9 | -178.4 | -54.9 | 148.3 | -2.4 | 111.7 | D161 H164 Y165 L180 N181 F268 N274 | D161-R167 HydrophobicContact CB-CB 3.84Å; D161-R167 HydrophobicContact CB-CG 4.23Å; D161-R167 PolarHBondContact N-O 2.97Å; D161-R167 VanDerWaalsContact N-O 3.1Å; D161-R167 WeakPolarHBondContact OD2-CD 3.29Å; D161-R167 IonicContact OD2-CZ 3.34Å; D161-R167 IonicContact OD2-NE 2.72Å; D161-R167 IonicContact OD2-NH1 3.89Å; D161-R167 PolarHBondContact OD2-NH1 3.12Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 WeakPolarHBondContact O-CB 3.47Å; H164-R167 PolarHBondContact O-N 3.46Å; Y165-R167 VanDerWaalsContact C-N 3.34Å; R167-L180 CarbonylContact C-O 3.59Å; R167-L180 VanDerWaalsContact CA-O 3.27Å; R167-L180 WeakPolarHBondContact CA-O 3.42Å; R167-N181 WeakPolarHBondContact CG-OD1 3.27Å; R167-N181 PolarHBondContact NE-OD1 3.46Å; R167-F268 HydrophobicContact CG-CZ 4.27Å; R167-N274 PolarHBondContact NH1-OD1 2.92Å; R167-N274 PolarHBondContact NH2-OD1 3.43Å | ||
| 168 | V | 93.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.7 | 174.8 | -165.3 | 0 | 0 | 0 | 0 | 109.3 | M158 A159 L160 F170 L180 F183 | M158-V168 HydrophobicContact CG-CG1 3.77Å; M158-V168 HydrophobicContact SD-CG1 4.33Å; A159-V168 WeakPolarHBondContact O-CA 3.38Å; A159-V168 WeakPolarHBondContact O-CG1 3.24Å; L160-V168 HydrophobicContact CD2-CB 4.44Å; L160-V168 HydrophobicContact CD2-CG1 4.05Å; L160-V168 HydrophobicContact CD2-CG2 3.69Å; V168-F170 HydrophobicContact CB-CE2 3.92Å; V168-F170 HydrophobicContact CB-CZ 3.99Å; V168-F170 HydrophobicContact CG1-CD2 4.47Å; V168-F170 HydrophobicContact CG1-CE1 3.88Å; V168-F170 HydrophobicContact CG1-CE2 3.74Å; V168-F170 HydrophobicContact CG1-CZ 3.4Å; V168-L180 HydrophobicContact CB-CB 4.29Å; V168-L180 HydrophobicContact CB-CD2 4.39Å; V168-L180 HydrophobicContact CG2-CD2 4.29Å; V168-L180 PolarHBondContact N-O 3.26Å; V168-L180 PolarHBondContact O-N 3.09Å; V168-F183 HydrophobicContact CG2-CB 3.73Å; V168-F183 HydrophobicContact CG2-CD2 3.87Å; V168-F183 HydrophobicContact CG2-CG 3.8Å |
| 169 | A | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | M158 A159 L177 I178 L179 I266 F268 L276 | M158-A169 CarbonylContact C-O 3.59Å; M158-A169 WeakPolarHBondContact CA-O 3.34Å; A159-A169 HydrophobicContact CB-CB 4.47Å; A159-A169 PolarHBondContact N-O 2.71Å; A159-A169 PolarHBondContact O-N 2.95Å; A169-L177 HydrophobicContact CB-CD1 4.07Å; A169-I178 CarbonylContact C-O 3.59Å; A169-I178 WeakPolarHBondContact CA-O 3.45Å; A169-L179 HydrophobicContact CB-CD2 3.79Å; A169-I266 HydrophobicContact CB-CD1 4.17Å; A169-I266 WeakPolarHBondContact O-CD1 3.45Å; A169-F268 HydrophobicContact CB-CE2 3.62Å; A169-F268 HydrophobicContact CB-CZ 3.74Å; A169-L276 HydrophobicContact CB-CD1 4.31Å; A169-L276 HydrophobicContact CB-CD2 4.13Å |
| 170 | F | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.6 | 173.4 | -54.6 | -83.9 | 0 | 0 | 0 | 110.7 | L129 L135 L155 A157 M158 V168 I178 L180 F192 | L129-F170 HydrophobicContact CD2-CD1 4.41Å; L135-F170 HydrophobicContact CD1-CE1 4.21Å; L135-F170 HydrophobicContact CD1-CZ 4.33Å; L135-F170 HydrophobicContact CD2-CZ 3.96Å; L155-F170 HydrophobicContact CD1-CB 4.35Å; L155-F170 HydrophobicContact CD1-CD1 3.96Å; L155-F170 HydrophobicContact CD1-CG 4.18Å; L155-F170 HydrophobicContact CD2-CB 4.12Å; A157-F170 VanDerWaalsContact O-CA 3.31Å; A157-F170 WeakPolarHBondContact O-CA 3.39Å; M158-F170 HydrophobicContact CB-CD1 4.07Å; M158-F170 HydrophobicContact CB-CE1 4.11Å; M158-F170 HydrophobicContact CG-CD1 4.02Å; M158-F170 HydrophobicContact CG-CE1 3.62Å; M158-F170 HydrophobicContact CG-CZ 4.44Å; M158-F170 HydrophobicContact SD-CE1 3.86Å; V168-F170 HydrophobicContact CB-CE2 3.92Å; V168-F170 HydrophobicContact CB-CZ 3.99Å; V168-F170 HydrophobicContact CG1-CD2 4.47Å; V168-F170 HydrophobicContact CG1-CE1 3.88Å; V168-F170 HydrophobicContact CG1-CE2 3.74Å; V168-F170 HydrophobicContact CG1-CZ 3.4Å; F170-I178 HydrophobicContact CB-CB 4.25Å; F170-I178 PolarHBondContact N-O 3.06Å; F170-I178 PolarHBondContact O-N 2.91Å; F170-L180 HydrophobicContact CE2-CB 3.94Å; F170-L180 HydrophobicContact CE2-CD2 4.24Å; F170-F192 AromaticContact CD2-CD1 3.81Å; F170-F192 HydrophobicContact CD2-CD1 3.81Å; F170-F192 HydrophobicContact CD2-CE1 4.19Å; F170-F192 HydrophobicContact CE1-CE1 4.29Å; F170-F192 AromaticContact CE2-CD1 3.67Å; F170-F192 HydrophobicContact CE2-CD1 3.67Å; F170-F192 AromaticContact CE2-CE1 3.81Å; F170-F192 HydrophobicContact CE2-CE1 3.81Å; F170-F192 HydrophobicContact CG-CD1 4.45Å; F170-F192 HydrophobicContact CZ-CD1 4.22Å; F170-F192 AromaticContact CZ-CE1 3.87Å; F170-F192 HydrophobicContact CZ-CE1 3.87Å |
| 171 | L | 92.4 | Very high | 89.1 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.1 | 167.6 | -170.3 | 75.1 | 0 | 0 | 0 | 108.2 | L155 M156 A157 C263 I266 | L155-L171 CarbonylContact C-O 3.54Å; L155-L171 WeakPolarHBondContact CA-O 3.31Å; M156-L171 PolarHBondContact N-O 2.86Å; A157-L171 HydrophobicContact CB-CB 4.07Å; A157-L171 PolarHBondContact O-N 3.29Å; A157-L171 VanDerWaalsContact O-N 3.1Å; L171-C263 HydrophobicContact CD1-CB 4.34Å; L171-C263 HydrophobicContact CD2-CB 3.86Å; L171-C263 WeakPolarHBondContact CD2-O 3.39Å; L171-I266 HydrophobicContact CB-CD1 4.27Å; L171-I266 HydrophobicContact CB-CG2 4.29Å; L171-I266 HydrophobicContact CD1-CG2 4.47Å |
| 172 | N | 90.5 | Very high | 88.8 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 166.1 | 171.6 | 72.8 | 10 | 0 | 0 | 0 | 112.4 | D153 P154 L155 F174 G175 N176 I178 Q195 | D153-N172 HydrophobicContact CB-CB 4.21Å; D153-N172 PolarHBondContact OD2-ND2 3.37Å; P154-N172 CarbonylContact O-C 3.58Å; P154-N172 VanDerWaalsContact O-CA 3.26Å; P154-N172 WeakPolarHBondContact O-CA 3.13Å; P154-N172 WeakPolarHBondContact O-CB 3.39Å; L155-N172 HydrophobicContact CD2-CB 4.06Å; N172-F174 PolarHBondContact O-N 2.91Å; N172-F174 VanDerWaalsContact O-N 3.08Å; N172-F174 PolarHBondContact OD1-N 3.17Å; N172-G175 PolarHBondContact O-N 3.14Å; N172-G175 PolarHBondContact OD1-N 2.87Å; N172-N176 PolarHBondContact N-O 3.4Å; N172-N176 WeakPolarHBondContact OD1-CA 3.34Å; N172-N176 VanDerWaalsContact OD1-CB 3.26Å; N172-N176 WeakPolarHBondContact OD1-CB 2.86Å; N172-N176 PolarHBondContact OD1-N 3.47Å; N172-N176 PolarHBondContact OD1-ND2 2.9Å; N172-N176 PolarHBondContact OD1-O 3.29Å; N172-I178 HydrophobicContact CB-CD1 4.03Å; N172-Q195 PolarHBondContact ND2-NE2 3.36Å; N172-Q195 VanDerWaalsContact ND2-NE2 3.17Å |
| 173 | S | 87.4 | Confident | 88.9 | Confident | 59 Ų | 59 | 30 Ų | 30 | 41% | 0.413 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20 | 178.8 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | P154 G175 | P154-S173 PolarHBondContact O-N 2.89Å; P154-S173 PolarHBondContact O-OG 3.25Å; S173-G175 VanDerWaalsContact C-N 3.3Å |
| 174 | F | 83.9 | Confident | 88.9 | Confident | 142 Ų | 142 | 30.4 Ų | 30.4 | 62% | 0.623 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 0.8 | 174.4 | -56.4 | -68.6 | 0 | 0 | 0 | 113.7 | D153 N172 N176 | D153-F174 HydrophobicContact CB-CD2 4.46Å; D153-F174 HydrophobicContact CB-CE2 4.21Å; N172-F174 PolarHBondContact O-N 2.91Å; N172-F174 VanDerWaalsContact O-N 3.08Å; N172-F174 PolarHBondContact OD1-N 3.17Å; F174-N176 WeakPolarHBondContact CB-ND2 3.14Å |
| 175 | G | 82.7 | Confident | 88.9 | Confident | 25 Ų | 25 | 30.2 Ų | 30.2 | 26% | 0.258 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 78.1 | 17.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N172 S173 I198 | N172-G175 PolarHBondContact O-N 3.14Å; N172-G175 PolarHBondContact OD1-N 2.87Å; S173-G175 VanDerWaalsContact C-N 3.3Å; G175-I198 WeakPolarHBondContact O-CD1 3.17Å |
| 176 | N | 87.9 | Confident | 89 | Confident | 14 Ų | 14 | 32 Ų | 32 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | trans | -91.8 | 142.2 | 177.6 | -53.6 | -49.1 | 0 | 0 | 0 | 111 | N172 F174 Q195 Y196 K197 | N172-N176 PolarHBondContact N-O 3.4Å; N172-N176 WeakPolarHBondContact OD1-CA 3.34Å; N172-N176 VanDerWaalsContact OD1-CB 3.26Å; N172-N176 WeakPolarHBondContact OD1-CB 2.86Å; N172-N176 PolarHBondContact OD1-N 3.47Å; N172-N176 PolarHBondContact OD1-ND2 2.9Å; N172-N176 PolarHBondContact OD1-O 3.29Å; F174-N176 WeakPolarHBondContact CB-ND2 3.14Å; N176-Q195 HydrophobicContact CB-CG 3.92Å; N176-Q195 PolarHBondContact ND2-NE2 3.34Å; N176-Y196 WeakPolarHBondContact CA-O 3.31Å; N176-Y196 WeakPolarHBondContact CB-O 3.3Å; N176-K197 VanDerWaalsContact OD1-CA 3.3Å; N176-K197 WeakPolarHBondContact OD1-CA 3.38Å; N176-K197 VanDerWaalsContact OD1-CG 3.31Å; N176-K197 WeakPolarHBondContact OD1-CG 3.4Å | ||
| 177 | L | 91.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.5 | 173.7 | 177.1 | 64 | 0 | 0 | 0 | 109.5 | A169 Y196 I198 L276 M292 | A169-L177 HydrophobicContact CB-CD1 4.07Å; L177-Y196 PolarHBondContact N-O 3.23Å; L177-Y196 PolarHBondContact O-N 3.03Å; L177-I198 HydrophobicContact CB-CD1 3.9Å; L177-I198 HydrophobicContact CB-CG1 4.46Å; L177-L276 HydrophobicContact CD1-CD2 3.63Å; L177-L276 HydrophobicContact CD2-CD2 3.85Å; L177-L276 HydrophobicContact CG-CD2 4.42Å; L177-M292 HydrophobicContact CD2-CE 3.45Å; L177-M292 VanDerWaalsContact CD2-CE 3.45Å; L177-M292 HydrophobicContact CD2-SD 4.1Å; L177-M292 HydrophobicContact CG-CE 4.16Å |
| 178 | I | 92.2 | Very high | 89 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.3 | 176 | -60.7 | 168.6 | 0 | 0 | 0 | 107.5 | L155 A169 F170 N172 F192 K194 Q195 | L155-I178 HydrophobicContact CD2-CD1 3.94Å; A169-I178 CarbonylContact C-O 3.59Å; A169-I178 WeakPolarHBondContact CA-O 3.45Å; F170-I178 HydrophobicContact CB-CB 4.25Å; F170-I178 PolarHBondContact N-O 3.06Å; F170-I178 PolarHBondContact O-N 2.91Å; N172-I178 HydrophobicContact CB-CD1 4.03Å; I178-F192 HydrophobicContact CG2-CB 3.96Å; I178-F192 WeakPolarHBondContact CG2-O 3.31Å; I178-K194 WeakPolarHBondContact CA-O 3.39Å; I178-Q195 HydrophobicContact CG1-CB 4.2Å; I178-Q195 HydrophobicContact CG1-CG 4.02Å |
| 179 | L | 92.2 | Very high | 88.6 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.2 | 176.5 | -70.6 | -176.8 | 0 | 0 | 0 | 111 | A169 F192 G193 K194 Y196 V289 M292 | A169-L179 HydrophobicContact CB-CD2 3.79Å; L179-F192 CarbonylContact C-O 3.53Å; L179-G193 WeakPolarHBondContact O-CA 3.29Å; L179-K194 PolarHBondContact N-O 3.02Å; L179-K194 PolarHBondContact O-N 3.27Å; L179-Y196 HydrophobicContact CB-CE2 4.47Å; L179-Y196 HydrophobicContact CD1-CE2 4.19Å; L179-Y196 HydrophobicContact CG-CE2 4.34Å; L179-V289 HydrophobicContact CD1-CB 3.98Å; L179-M292 HydrophobicContact CD1-CE 3.22Å; L179-M292 HydrophobicContact CG-CE 3.66Å |
| 180 | L | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 129.7 | 165.7 | -177.7 | 73.5 | 0 | 0 | 0 | 108.3 | R167 V168 F170 D182 F183 P189 A191 | R167-L180 CarbonylContact C-O 3.59Å; R167-L180 VanDerWaalsContact CA-O 3.27Å; R167-L180 WeakPolarHBondContact CA-O 3.42Å; V168-L180 HydrophobicContact CB-CB 4.29Å; V168-L180 HydrophobicContact CB-CD2 4.39Å; V168-L180 HydrophobicContact CG2-CD2 4.29Å; V168-L180 PolarHBondContact N-O 3.26Å; V168-L180 PolarHBondContact O-N 3.09Å; F170-L180 HydrophobicContact CE2-CB 3.94Å; F170-L180 HydrophobicContact CE2-CD2 4.24Å; L180-D182 WeakPolarHBondContact CD1-OD1 3.39Å; L180-F183 HydrophobicContact CD2-CB 3.98Å; L180-F183 HydrophobicContact CD2-CD2 4.18Å; L180-P189 HydrophobicContact CD1-CB 3.91Å; L180-P189 HydrophobicContact CD1-CG 4.5Å; L180-P189 HydrophobicContact CD2-CB 4.27Å; L180-P189 HydrophobicContact CD2-CG 4.01Å; L180-A191 WeakPolarHBondContact CD1-O 3.35Å |
| 181 | N | 88.2 | Confident | 86.8 | Confident | 81 Ų | 81 | 44.2 Ų | 44.2 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | trans | -120.2 | -1.1 | -177 | -73.4 | -41.5 | 0 | 0 | 0 | 113.5 | Q166 R167 | Q166-N181 VanDerWaalsContact CB-O 3.3Å; Q166-N181 WeakPolarHBondContact CB-O 3.33Å; Q166-N181 CarbonylContact O-C 3.55Å; Q166-N181 WeakPolarHBondContact O-CA 3.46Å; R167-N181 WeakPolarHBondContact CG-OD1 3.27Å; R167-N181 PolarHBondContact NE-OD1 3.46Å | ||
| 182 | D | 86.7 | Confident | 86 | Confident | 71 Ų | 71 | 44.5 Ų | 44.5 | 38% | 0.38 | 27% | 0.272 | S | S | . | . | trans | -120.2 | 28.1 | -175.2 | 61 | -37.6 | 0 | 0 | 0 | 111.6 | Q166 L180 S184 | Q166-D182 PolarHBondContact O-N 3.37Å; L180-D182 WeakPolarHBondContact CD1-OD1 3.39Å; D182-S184 PolarHBondContact O-N 2.95Å | ||
| 183 | F | 88.2 | Confident | 85.3 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.022 | 30% | 0.295 | C | S | . | . | trans | -63.1 | 129.5 | 175.7 | 179.8 | -89.8 | 0 | 0 | 0 | 110.6 | L116 V127 W147 Q166 V168 L180 | L116-F183 HydrophobicContact CD1-CE1 4.14Å; L116-F183 HydrophobicContact CD1-CZ 4.27Å; L116-F183 HydrophobicContact CD2-CE1 3.87Å; L116-F183 HydrophobicContact CD2-CZ 3.96Å; V127-F183 HydrophobicContact CG2-CE2 4.12Å; V127-F183 HydrophobicContact CG2-CZ 4.27Å; W147-F183 HydrophobicContact CH2-CD2 4.19Å; W147-F183 AromaticContact CH2-CE2 3.61Å; W147-F183 HydrophobicContact CH2-CE2 3.61Å; W147-F183 HydrophobicContact CH2-CZ 4.36Å; W147-F183 HydrophobicContact CZ2-CD2 4.44Å; W147-F183 AromaticContact CZ2-CE2 3.82Å; W147-F183 HydrophobicContact CZ2-CE2 3.82Å; W147-F183 HydrophobicContact CZ2-CZ 4.18Å; Q166-F183 WeakPolarHBondContact CA-O 3.4Å; Q166-F183 VanDerWaalsContact O-CB 3.24Å; Q166-F183 WeakPolarHBondContact O-CB 3.19Å; Q166-F183 PolarHBondContact O-N 3.31Å; V168-F183 HydrophobicContact CG2-CB 3.73Å; V168-F183 HydrophobicContact CG2-CD2 3.87Å; V168-F183 HydrophobicContact CG2-CG 3.8Å; L180-F183 HydrophobicContact CD2-CB 3.98Å; L180-F183 HydrophobicContact CD2-CD2 4.18Å | ||
| 184 | S | 85.9 | Confident | 85.1 | Confident | 31 Ų | 31 | 49.7 Ų | 49.7 | 22% | 0.217 | 30% | 0.3 | C | S | . | . | trans | -145.1 | 150 | -179.5 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | W147 D182 S186 T187 | W147-S184 WeakPolarHBondContact CZ2-O 3.42Å; W147-S184 PolarHBondContact NE1-O 3.24Å; D182-S184 PolarHBondContact O-N 2.95Å; S184-S186 PolarHBondContact OG-N 3.08Å; S184-S186 PolarHBondContact OG-OG 3.42Å; S184-S186 VanDerWaalsContact OG-OG 3.11Å; S184-T187 WeakPolarHBondContact CB-OG1 3.47Å; S184-T187 PolarHBondContact OG-N 3.01Å; S184-T187 PolarHBondContact OG-OG1 3.36Å | ||
| 185 | V | 84.3 | Confident | 85.1 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -72.6 | -36.3 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | L116 Q119 L125 L137 W147 | L116-V185 HydrophobicContact CD1-CG2 3.62Å; Q119-V185 VanDerWaalsContact NE2-CG2 3.35Å; L125-V185 HydrophobicContact CD1-CB 4.33Å; L125-V185 HydrophobicContact CD1-CG1 3.49Å; L125-V185 VanDerWaalsContact CD1-CG1 3.49Å; L125-V185 HydrophobicContact CD1-CG2 3.83Å; L137-V185 HydrophobicContact CD2-CB 4.28Å; L137-V185 HydrophobicContact CD2-CG1 4.04Å; L137-V185 HydrophobicContact CD2-CG2 4.31Å; W147-V185 PolarHBondContact NE1-O 3.28Å |
| 186 | S | 83.8 | Confident | 85.2 | Confident | 106 Ų | 106 | 44.1 Ų | 44.1 | 74% | 0.741 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -87.9 | -26.7 | -173.2 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | S184 | S184-S186 PolarHBondContact OG-N 3.08Å; S184-S186 PolarHBondContact OG-OG 3.42Å; S184-S186 VanDerWaalsContact OG-OG 3.11Å |
| 187 | T | 86.4 | Confident | 84.7 | Confident | 82 Ų | 82 | 48.3 Ų | 48.3 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -122.2 | 129.7 | -173.2 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | S184 | S184-T187 WeakPolarHBondContact CB-OG1 3.47Å; S184-T187 PolarHBondContact OG-N 3.01Å; S184-T187 PolarHBondContact OG-OG1 3.36Å |
| 188 | V | 88.4 | Confident | 83.7 | Confident | 69 Ų | 69 | 49 Ų | 49 | 42% | 0.418 | 29% | 0.29 | S | S | . | . | trans | -68.2 | 132.2 | 176 | -167.9 | 0 | 0 | 0 | 0 | 109.7 | W147 T190 | W147-V188 HydrophobicContact CB-CG2 3.44Å; W147-V188 VanDerWaalsContact CB-CG2 3.44Å; W147-V188 HydrophobicContact CD2-CG2 4.45Å; W147-V188 HydrophobicContact CE3-CG1 4.3Å; W147-V188 HydrophobicContact CG-CG2 3.84Å; V188-T190 PolarHBondContact O-N 3.25Å | ||
| 189 | P | 85.4 | Confident | 82.1 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.032 | 30% | 0.302 | C | S | . | . | trans | -57.6 | 126.5 | 173.1 | -26.4 | 35.3 | 0 | 0 | 0 | 111.9 | W147 T149 L180 | W147-P189 HydrophobicContact CH2-CG 4.37Å; T149-P189 HydrophobicContact CG2-CG 4.48Å; L180-P189 HydrophobicContact CD1-CB 3.91Å; L180-P189 HydrophobicContact CD1-CG 4.5Å; L180-P189 HydrophobicContact CD2-CB 4.27Å; L180-P189 HydrophobicContact CD2-CG 4.01Å | ||
| 190 | T | 76.2 | Confident | 80 | Confident | 138 Ų | 138 | 54.5 Ų | 54.5 | 85% | 0.847 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -76.9 | -29.7 | -179.2 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | V188 | V188-T190 PolarHBondContact O-N 3.25Š|
| 191 | A | 76.8 | Confident | 77.4 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -150.3 | 154.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L180 G193 | L180-A191 WeakPolarHBondContact CD1-O 3.35Å; A191-G193 PolarHBondContact O-N 3.1Å |
| 192 | F | 74.4 | Confident | 74.7 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 5% | 0.053 | 36% | 0.361 | C | S | . | . | trans | -73.3 | 14.7 | 178.1 | -83.9 | -105 | 0 | 0 | 0 | 114.3 | L135 T149 H151 L155 F170 I178 L179 | L135-F192 HydrophobicContact CB-CE1 4.4Å; L135-F192 HydrophobicContact CB-CZ 3.95Å; L135-F192 HydrophobicContact CD2-CE1 4.46Å; L135-F192 HydrophobicContact CD2-CZ 4.48Å; T149-F192 HydrophobicContact CG2-CE2 3.8Å; T149-F192 HydrophobicContact CG2-CZ 3.87Å; H151-F192 HydrophobicContact CB-CD1 4.18Å; H151-F192 HydrophobicContact CB-CD2 3.64Å; H151-F192 HydrophobicContact CB-CE1 4.18Å; H151-F192 HydrophobicContact CB-CE2 3.65Å; H151-F192 HydrophobicContact CB-CG 3.92Å; H151-F192 HydrophobicContact CB-CZ 3.91Å; H151-F192 AromaticContact CD2-CD2 3.75Å; H151-F192 AromaticContact CD2-CG 3.63Å; L155-F192 HydrophobicContact CD1-CD1 4.25Å; L155-F192 HydrophobicContact CD1-CE1 3.74Å; L155-F192 HydrophobicContact CD1-CZ 4.38Å; F170-F192 AromaticContact CD2-CD1 3.81Å; F170-F192 HydrophobicContact CD2-CD1 3.81Å; F170-F192 HydrophobicContact CD2-CE1 4.19Å; F170-F192 HydrophobicContact CE1-CE1 4.29Å; F170-F192 AromaticContact CE2-CD1 3.67Å; F170-F192 HydrophobicContact CE2-CD1 3.67Å; F170-F192 AromaticContact CE2-CE1 3.81Å; F170-F192 HydrophobicContact CE2-CE1 3.81Å; F170-F192 HydrophobicContact CG-CD1 4.45Å; F170-F192 HydrophobicContact CZ-CD1 4.22Å; F170-F192 AromaticContact CZ-CE1 3.87Å; F170-F192 HydrophobicContact CZ-CE1 3.87Å; I178-F192 HydrophobicContact CG2-CB 3.96Å; I178-F192 WeakPolarHBondContact CG2-O 3.31Å; L179-F192 CarbonylContact C-O 3.53Å | ||
| 193 | G | 76.8 | Confident | 72 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 50% | 0.495 | 38% | 0.38 | S | S | . | . | trans | 72.2 | -150.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L179 A191 | L179-G193 WeakPolarHBondContact O-CA 3.29Å; A191-G193 PolarHBondContact O-N 3.1Å | ||
| 194 | K | 82.2 | Confident | 69.2 | Low | 120 Ų | 120 | 67.1 Ų | 67.1 | 52% | 0.522 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 136.5 | -170.2 | -70 | -179.4 | -179.6 | 177.8 | 0 | 111.3 | I178 L179 Y196 | I178-K194 WeakPolarHBondContact CA-O 3.39Å; L179-K194 PolarHBondContact N-O 3.02Å; L179-K194 PolarHBondContact O-N 3.27Å; K194-Y196 HydrophobicContact CB-CE2 3.67Å; K194-Y196 WeakPolarHBondContact CD-OH 3.49Å; K194-Y196 WeakPolarHBondContact O-CE2 3.31Å |
| 195 | Q | 84.9 | Confident | 66.4 | Low | 30 Ų | 30 | 74.6 Ų | 74.6 | 14% | 0.14 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.1 | 175.8 | -177.4 | 174.4 | -10 | 0 | 0 | 111 | N172 N176 I178 | N172-Q195 PolarHBondContact ND2-NE2 3.36Å; N172-Q195 VanDerWaalsContact ND2-NE2 3.17Å; N176-Q195 HydrophobicContact CB-CG 3.92Å; N176-Q195 PolarHBondContact ND2-NE2 3.34Å; I178-Q195 HydrophobicContact CG1-CB 4.2Å; I178-Q195 HydrophobicContact CG1-CG 4.02Å |
| 196 | Y | 83.7 | Confident | 63.7 | Low | 20 Ų | 20 | 78 Ų | 78 | 8% | 0.078 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 118.4 | -177.6 | -60.8 | -88.8 | 0 | 0 | 0 | 110.1 | N176 L177 L179 K194 I198 M220 M292 | N176-Y196 WeakPolarHBondContact CA-O 3.31Å; N176-Y196 WeakPolarHBondContact CB-O 3.3Å; L177-Y196 PolarHBondContact N-O 3.23Å; L177-Y196 PolarHBondContact O-N 3.03Å; L179-Y196 HydrophobicContact CB-CE2 4.47Å; L179-Y196 HydrophobicContact CD1-CE2 4.19Å; L179-Y196 HydrophobicContact CG-CE2 4.34Å; K194-Y196 HydrophobicContact CB-CE2 3.67Å; K194-Y196 WeakPolarHBondContact CD-OH 3.49Å; K194-Y196 WeakPolarHBondContact O-CE2 3.31Å; Y196-I198 PolarHBondContact O-N 3.25Å; Y196-M220 CarbonylContact C-O 3.57Å; Y196-M220 VanDerWaalsContact CA-O 3.31Å; Y196-M220 WeakPolarHBondContact CA-O 3.49Å; Y196-M220 HydrophobicContact CD1-CB 3.76Å; Y196-M220 HydrophobicContact CE1-CB 3.93Å; Y196-M220 HydrophobicContact CE1-CE 4.41Å; Y196-M220 HydrophobicContact CE1-SD 4.03Å; Y196-M292 HydrophobicContact CD1-CB 4.38Å; Y196-M292 HydrophobicContact CD1-CE 4.16Å; Y196-M292 HydrophobicContact CD1-CG 3.79Å; Y196-M292 HydrophobicContact CD2-CE 3.25Å; Y196-M292 HydrophobicContact CD2-CG 4.49Å; Y196-M292 HydrophobicContact CE1-CB 4.25Å; Y196-M292 HydrophobicContact CE1-CE 4.24Å; Y196-M292 HydrophobicContact CE1-CG 3.54Å; Y196-M292 HydrophobicContact CE2-CE 3.31Å; Y196-M292 HydrophobicContact CE2-CG 4.25Å; Y196-M292 HydrophobicContact CG-CE 3.67Å; Y196-M292 HydrophobicContact CG-CG 4.25Å; Y196-M292 HydrophobicContact CG-SD 4.49Å |
| 197 | K | 78.2 | Confident | 61.1 | Low | 102 Ų | 102 | 82.6 Ų | 82.6 | 44% | 0.443 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 115.5 | 179.5 | -161.8 | 178 | -172.9 | 177.4 | 0 | 109.8 | N176 L199 M220 T221 L222 | N176-K197 VanDerWaalsContact OD1-CA 3.3Å; N176-K197 WeakPolarHBondContact OD1-CA 3.38Å; N176-K197 VanDerWaalsContact OD1-CG 3.31Å; N176-K197 WeakPolarHBondContact OD1-CG 3.4Å; K197-L199 HydrophobicContact CD-CD1 4.28Å; K197-L199 HydrophobicContact CD-CD2 4.26Å; K197-L199 HydrophobicContact CD-CG 4.22Å; K197-L199 HydrophobicContact CG-CG 4.16Å; K197-M220 PolarHBondContact N-O 2.98Å; K197-T221 HydrophobicContact CB-CG2 4.44Å; K197-L222 PolarHBondContact O-N 3.43Å |
| 198 | I | 71.2 | Confident | 58.2 | Low | 15 Ų | 15 | 85 Ų | 85 | 8% | 0.077 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 107.9 | 176.1 | -58 | 166 | 0 | 0 | 0 | 107.3 | G175 L177 Y196 I224 L278 Y280 | G175-I198 WeakPolarHBondContact O-CD1 3.17Å; L177-I198 HydrophobicContact CB-CD1 3.9Å; L177-I198 HydrophobicContact CB-CG1 4.46Å; Y196-I198 PolarHBondContact O-N 3.25Å; I198-I224 HydrophobicContact CG2-CD1 3.38Å; I198-I224 HydrophobicContact CG2-CG1 4.24Å; I198-L278 HydrophobicContact CD1-CD1 3.75Å; I198-Y280 WeakPolarHBondContact CG2-OH 2.97Å |
| 199 | L | 58.3 | Low | 55.2 | Low | 49 Ų | 49 | 89.8 Ų | 89.8 | 26% | 0.257 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.3 | -177.9 | -77 | 159.1 | 0 | 0 | 0 | 110.6 | K197 T221 | K197-L199 HydrophobicContact CD-CD1 4.28Å; K197-L199 HydrophobicContact CD-CD2 4.26Å; K197-L199 HydrophobicContact CD-CG 4.22Å; K197-L199 HydrophobicContact CG-CG 4.16Å; L199-T221 HydrophobicContact CD1-CG2 3.93Å |
| 200 | P | 47.5 | Very low | 52.4 | Low | 74 Ų | 74 | 93.1 Ų | 93.1 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | trans | -68.3 | 145.3 | 157.6 | -6.1 | 23 | 0 | 0 | 0 | 109 | D202 | P200-D202 VanDerWaalsContact C-N 3.3Å; P200-D202 PolarHBondContact O-N 2.89Å | ||
| 201 | S | 38.3 | Very low | 49.9 | Very low | 68 Ų | 68 | 91.2 Ų | 91.2 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -68.1 | 1.9 | -153.1 | 62.6 | 0 | 0 | 0 | 0 | 119.3 | ||
| 202 | D | 30.9 | Very low | 47.4 | Very low | 138 Ų | 138 | 95.5 Ų | 95.5 | 74% | 0.738 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -96.8 | 3 | -166 | -75.7 | 1.8 | 0 | 0 | 0 | 116.4 | P200 | P200-D202 VanDerWaalsContact C-N 3.3Å; P200-D202 PolarHBondContact O-N 2.89Å |
| 203 | M | 31.1 | Very low | 45.1 | Very low | 162 Ų | 162 | 101.8 Ų | 101.8 | 80% | 0.798 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -123.4 | 13.4 | -174 | -69.8 | -83.2 | 106.6 | 0 | 0 | 115.5 | ||
| 204 | A | 28.8 | Very low | 42.6 | Very low | 53 Ų | 53 | 105 Ų | 105 | 44% | 0.438 | 60% | 0.602 | S | S | . | * | trans | -100.9 | 18.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 205 | Q | 27.6 | Very low | 40 | Very low | 188 Ų | 188 | 105.5 Ų | 105.5 | 88% | 0.879 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -127.9 | 64.8 | 172.6 | -74.5 | -173.5 | -5.3 | 0 | 0 | 111.4 | ||
| 206 | S | 26.6 | Very low | 37.2 | Very low | 103 Ų | 103 | 116.4 Ų | 116.4 | 72% | 0.72 | 66% | 0.656 | S | S | * | * | trans | -179.8 | 82.8 | 150.2 | 57.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 207 | Q | 29.7 | Very low | 34.8 | Very low | 201 Ų | 201 | 121 Ų | 121 | 94% | 0.939 | 68% | 0.677 | S | S | * | * | trans | -131.6 | 85.3 | 152.2 | -80.5 | -166.8 | -11.8 | 0 | 0 | 107.9 | ||||
| 208 | T | 25.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 120.4 Ų | 120.4 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | trans | -81.9 | 120 | 152.4 | 47.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 209 | D | 25.5 | Very low | 31.4 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 91% | 0.909 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 22.9 | 116.5 | 158.6 | -63 | -28.1 | 0 | 0 | 0 | 120.1 | ||
| 210 | G | 25.4 | Very low | 31 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | 161.4 | 103.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 211 | A | 24.6 | Very low | 31 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | trans | 61 | 142.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 212 | D | 23.9 | Very low | 31.7 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | cis | -148.7 | 143.2 | 26.7 | -117.9 | -27.7 | 0 | 0 | 0 | 110.5 | T214 | D212-T214 PolarHBondContact O-N 3.44Š| ||
| 213 | V | 25.9 | Very low | 32.8 | Very low | 145 Ų | 145 | 120.9 Ų | 120.9 | 88% | 0.879 | 69% | 0.686 | S | S | * | * | trans | -91 | 73.5 | -179.1 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 214 | T | 25.7 | Very low | 34.2 | Very low | 114 Ų | 114 | 113.6 Ų | 113.6 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -158.2 | 129.6 | 160.2 | 46.2 | 0 | 0 | 0 | 0 | 110.2 | D212 | D212-T214 PolarHBondContact O-N 3.44Š|
| 215 | T | 26.4 | Very low | 34.9 | Very low | 132 Ų | 132 | 115.6 Ų | 115.6 | 81% | 0.81 | 65% | 0.649 | S | S | * | * | trans | 80 | 73.7 | -176.3 | 74.1 | 0 | 0 | 0 | 0 | 115.9 | K217 | T215-K217 PolarHBondContact O-N 2.88Š| ||
| 216 | R | 25.7 | Very low | 35.3 | Very low | 259 Ų | 259 | 110.9 Ų | 110.9 | 98% | 0.977 | 63% | 0.63 | S | S | * | * | trans | -67.7 | 81.9 | 159.1 | -76.8 | -176.6 | 177.2 | 174 | -0.7 | 109.6 | ||||
| 217 | K | 34.5 | Very low | 36.1 | Very low | 117 Ų | 117 | 109.2 Ų | 109.2 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | trans | -81.4 | 123.6 | 148.8 | -74.5 | -174.9 | 177.3 | -178.8 | 0 | 106.5 | C152 T215 N219 | C152-K217 PolarHBondContact SG-NZ 3.48Å; T215-K217 PolarHBondContact O-N 2.88Å; K217-N219 PolarHBondContact O-N 3.48Å | ||
| 218 | S | 37.3 | Very low | 36.4 | Very low | 88 Ų | 88 | 101.7 Ų | 101.7 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | trans | -68 | 82.4 | -178.6 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | M220 | S218-M220 PolarHBondContact O-N 3.31Å; S218-M220 VanDerWaalsContact O-N 3.14Å | ||
| 219 | N | 40.2 | Very low | 36.8 | Very low | 107 Ų | 107 | 98.2 Ų | 98.2 | 57% | 0.572 | 56% | 0.561 | S | S | * | * | trans | -75.9 | 99.9 | 178 | -69 | -18.8 | 0 | 0 | 0 | 108.3 | K217 | K217-N219 PolarHBondContact O-N 3.48Š| ||
| 220 | M | 50.7 | Low | 37.3 | Very low | 74 Ų | 74 | 96.7 Ų | 96.7 | 37% | 0.365 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 138.7 | 170.8 | -76.9 | -172.1 | 67.3 | 0 | 0 | 109.6 | Y196 K197 S218 | Y196-M220 CarbonylContact C-O 3.57Å; Y196-M220 VanDerWaalsContact CA-O 3.31Å; Y196-M220 WeakPolarHBondContact CA-O 3.49Å; Y196-M220 HydrophobicContact CD1-CB 3.76Å; Y196-M220 HydrophobicContact CE1-CB 3.93Å; Y196-M220 HydrophobicContact CE1-CE 4.41Å; Y196-M220 HydrophobicContact CE1-SD 4.03Å; K197-M220 PolarHBondContact N-O 2.98Å; S218-M220 PolarHBondContact O-N 3.31Å; S218-M220 VanDerWaalsContact O-N 3.14Å |
| 221 | T | 46.4 | Very low | 37.7 | Very low | 94 Ų | 94 | 94.4 Ų | 94.4 | 58% | 0.577 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.9 | 179.3 | 49.6 | 0 | 0 | 0 | 0 | 111 | K197 L199 | K197-T221 HydrophobicContact CB-CG2 4.44Å; L199-T221 HydrophobicContact CD1-CG2 3.93Å |
| 222 | L | 52.3 | Low | 38.2 | Very low | 5 Ų | 5 | 95.9 Ų | 95.9 | 3% | 0.026 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 105.1 | 170.5 | -144.3 | 148.4 | 0 | 0 | 0 | 107.8 | K197 I224 V287 M292 | K197-L222 PolarHBondContact O-N 3.43Å; L222-I224 PolarHBondContact O-N 3.4Å; L222-V287 HydrophobicContact CD1-CG1 4.15Å; L222-V287 HydrophobicContact CD2-CG1 4.39Å; L222-V287 HydrophobicContact CD2-CG2 4.42Å; L222-M292 HydrophobicContact CD1-CB 3.83Å; L222-M292 HydrophobicContact CD1-CE 4.41Å; L222-M292 HydrophobicContact CD1-CG 4.02Å; L222-M292 HydrophobicContact CD1-SD 3.41Å; L222-M292 WeakPolarHBondContact CD1-SD 3.38Å; L222-M292 HydrophobicContact CG-CB 4.41Å |
| 223 | S | 54.5 | Low | 38.7 | Very low | 74 Ų | 74 | 92.9 Ų | 92.9 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 103.3 | -175 | 165.6 | 0 | 0 | 0 | 0 | 110.1 | K225 | S223-K225 PolarHBondContact O-N 3.47Å; S223-K225 WeakPolarHBondContact OG-CB 3.5Å |
| 224 | I | 60.5 | Low | 39.3 | Very low | 9 Ų | 9 | 91.7 Ų | 91.7 | 5% | 0.046 | 49% | 0.492 | C | S | . | . | trans | -77.7 | 8.8 | 171.9 | -43.3 | 166.7 | 0 | 0 | 0 | 111.1 | I198 L222 N226 L228 V285 | I198-I224 HydrophobicContact CG2-CD1 3.38Å; I198-I224 HydrophobicContact CG2-CG1 4.24Å; L222-I224 PolarHBondContact O-N 3.4Å; I224-N226 VanDerWaalsContact C-N 3.3Å; I224-N226 PolarHBondContact O-N 3.27Å; I224-L228 HydrophobicContact CB-CD1 4.01Å; I224-L228 HydrophobicContact CG2-CD1 3.43Å; I224-L228 VanDerWaalsContact CG2-CD1 3.43Å; I224-L228 HydrophobicContact CG2-CG 3.78Å; I224-V285 HydrophobicContact CG2-CG1 4.46Å; I224-V285 HydrophobicContact CG2-CG2 4.49Å | ||
| 225 | K | 43.1 | Very low | 39.6 | Very low | 96 Ų | 96 | 89 Ų | 89 | 42% | 0.417 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -10.2 | -151.1 | -153.4 | 175 | -172.6 | -176.6 | 0 | 116.4 | S223 | S223-K225 PolarHBondContact O-N 3.47Å; S223-K225 WeakPolarHBondContact OG-CB 3.5Å |
| 226 | N | 37.8 | Very low | 39.6 | Very low | 88 Ų | 88 | 86 Ų | 86 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | -27.3 | -178.2 | -71.9 | -13.3 | 0 | 0 | 0 | 114.9 | I224 K230 Q940 | I224-N226 VanDerWaalsContact C-N 3.3Å; I224-N226 PolarHBondContact O-N 3.27Å; N226-K230 PolarHBondContact O-N 3.36Å; N226-Q940 PolarHBondContact ND2-OE1 3Å |
| 227 | Q | 41.9 | Very low | 39.7 | Very low | 69 Ų | 69 | 76.9 Ų | 76.9 | 32% | 0.322 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -86.9 | -36 | -176.4 | -70.6 | -169.3 | 1.7 | 0 | 0 | 112.8 | K230 A231 C297 | Q227-K230 PolarHBondContact O-N 3.21Å; Q227-A231 WeakPolarHBondContact O-CB 3.28Å; Q227-A231 PolarHBondContact O-N 3.49Å; Q227-C297 HydrophobicContact CB-CB 4.06Å |
| 228 | L | 35.7 | Very low | 39.3 | Very low | 43 Ų | 43 | 77.8 Ų | 77.8 | 23% | 0.225 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 172.2 | -87.5 | 167.8 | 0 | 0 | 0 | 110.9 | I224 K230 A231 F232 C297 V299 | I224-L228 HydrophobicContact CB-CD1 4.01Å; I224-L228 HydrophobicContact CG2-CD1 3.43Å; I224-L228 VanDerWaalsContact CG2-CD1 3.43Å; I224-L228 HydrophobicContact CG2-CG 3.78Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.49Å; L228-A231 PolarHBondContact O-N 2.84Å; L228-A231 VanDerWaalsContact O-N 3.17Å; L228-F232 HydrophobicContact CB-CD2 4.28Å; L228-F232 HydrophobicContact CB-CE2 4.13Å; L228-F232 HydrophobicContact CD2-CE2 3.77Å; L228-F232 HydrophobicContact CD2-CZ 4.36Å; L228-F232 WeakPolarHBondContact O-CD2 3.44Å; L228-F232 PolarHBondContact O-N 3.3Å; L228-C297 WeakPolarHBondContact CD2-SG 3.28Å; L228-C297 VanDerWaalsContact CG-SG 3.54Å; L228-V299 HydrophobicContact CD2-CG2 3.44Å; L228-V299 VanDerWaalsContact CD2-CG2 3.44Å |
| 229 | A | 34.6 | Very low | 38.7 | Very low | 58 Ų | 58 | 77.7 Ų | 77.7 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S233 | A229-S233 WeakPolarHBondContact O-CB 3.41Å; A229-S233 PolarHBondContact O-N 3.16Å; A229-S233 PolarHBondContact O-OG 3.49Å |
| 230 | K | 35.6 | Very low | 38 | Very low | 139 Ų | 139 | 78.2 Ų | 78.2 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.6 | -44.9 | 173.5 | -119.2 | 176.4 | 178.9 | 178.7 | 0 | 111.8 | N226 Q227 L228 F232 S233 V234 | N226-K230 PolarHBondContact O-N 3.36Å; Q227-K230 PolarHBondContact O-N 3.21Å; L228-K230 VanDerWaalsContact C-N 3.32Å; L228-K230 PolarHBondContact O-N 3.49Å; K230-F232 PolarHBondContact O-N 3.16Å; K230-S233 WeakPolarHBondContact CA-OG 3.11Å; K230-S233 PolarHBondContact O-N 2.89Å; K230-S233 VanDerWaalsContact O-N 3.15Å; K230-S233 PolarHBondContact O-OG 3.49Å; K230-V234 VanDerWaalsContact O-CG2 3.31Å; K230-V234 WeakPolarHBondContact O-CG2 3.47Å; K230-V234 PolarHBondContact O-N 3.48Å |
| 231 | A | 35.4 | Very low | 36.7 | Very low | 27 Ų | 27 | 80.2 Ų | 80.2 | 22% | 0.223 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q227 L228 S233 V234 A235 V299 | Q227-A231 WeakPolarHBondContact O-CB 3.28Å; Q227-A231 PolarHBondContact O-N 3.49Å; L228-A231 PolarHBondContact O-N 2.84Å; L228-A231 VanDerWaalsContact O-N 3.17Å; A231-S233 VanDerWaalsContact C-N 3.33Å; A231-S233 PolarHBondContact O-N 3Å; A231-V234 PolarHBondContact O-N 3.38Å; A231-A235 WeakPolarHBondContact O-CB 3.44Å; A231-A235 PolarHBondContact O-N 3.25Å; A231-V299 HydrophobicContact CB-CB 4.37Å; A231-V299 HydrophobicContact CB-CG2 3.83Å |
| 232 | F | 34.2 | Very low | 35.7 | Very low | 128 Ų | 128 | 81 Ų | 81 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.4 | -33.2 | 173.5 | -75.1 | -63.2 | 0 | 0 | 0 | 113 | L228 K230 V299 | L228-F232 HydrophobicContact CB-CD2 4.28Å; L228-F232 HydrophobicContact CB-CE2 4.13Å; L228-F232 HydrophobicContact CD2-CE2 3.77Å; L228-F232 HydrophobicContact CD2-CZ 4.36Å; L228-F232 WeakPolarHBondContact O-CD2 3.44Å; L228-F232 PolarHBondContact O-N 3.3Å; K230-F232 PolarHBondContact O-N 3.16Å; F232-V299 HydrophobicContact CD1-CG1 4.01Å; F232-V299 HydrophobicContact CE1-CG1 3.43Å; F232-V299 VanDerWaalsContact CE1-CG1 3.43Å; F232-V299 HydrophobicContact CE2-CG1 4.49Å; F232-V299 HydrophobicContact CZ-CG1 3.69Å; F232-V299 HydrophobicContact CZ-CG2 4.44Å |
| 233 | S | 35 | Very low | 34.5 | Very low | 84 Ų | 84 | 85.7 Ų | 85.7 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -75 | -29.6 | 175.6 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | A229 K230 A231 | A229-S233 WeakPolarHBondContact O-CB 3.41Å; A229-S233 PolarHBondContact O-N 3.16Å; A229-S233 PolarHBondContact O-OG 3.49Å; K230-S233 WeakPolarHBondContact CA-OG 3.11Å; K230-S233 PolarHBondContact O-N 2.89Å; K230-S233 VanDerWaalsContact O-N 3.15Å; K230-S233 PolarHBondContact O-OG 3.49Å; A231-S233 VanDerWaalsContact C-N 3.33Å; A231-S233 PolarHBondContact O-N 3Å |
| 234 | V | 37 | Very low | 33.1 | Very low | 121 Ų | 121 | 87.9 Ų | 87.9 | 73% | 0.733 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -83.3 | -26.3 | -179.7 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | K230 A231 G236 | K230-V234 VanDerWaalsContact O-CG2 3.31Å; K230-V234 WeakPolarHBondContact O-CG2 3.47Å; K230-V234 PolarHBondContact O-N 3.48Å; A231-V234 PolarHBondContact O-N 3.38Å; V234-G236 PolarHBondContact O-N 3.23Å; V234-G236 VanDerWaalsContact O-N 3.11Å |
| 235 | A | 32.4 | Very low | 31.6 | Very low | 58 Ų | 58 | 95.9 Ų | 95.9 | 48% | 0.479 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72 | 5.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | A231 | A231-A235 WeakPolarHBondContact O-CB 3.44Å; A231-A235 PolarHBondContact O-N 3.25Å |
| 236 | G | 26.8 | Very low | 30.8 | Very low | 68 Ų | 68 | 102.5 Ų | 102.5 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | trans | 60.9 | 77.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V234 | V234-G236 PolarHBondContact O-N 3.23Å; V234-G236 VanDerWaalsContact O-N 3.11Å | ||
| 237 | G | 27 | Very low | 30.2 | Very low | 67 Ų | 67 | 101.8 Ų | 101.8 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | trans | -162 | 71.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 238 | V | 26.5 | Very low | 29.6 | Very low | 137 Ų | 137 | 110.3 Ų | 110.3 | 83% | 0.83 | 67% | 0.673 | S | S | * | * | trans | 66.6 | 103.5 | 148.9 | -169.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 239 | S | 25.5 | Very low | 29.2 | Very low | 85 Ų | 85 | 111.7 Ų | 111.7 | 59% | 0.594 | 70% | 0.698 | S | S | * | * | trans | 44.8 | 119.9 | 139.6 | 73.7 | 0 | 0 | 0 | 0 | 122 | T241 | S239-T241 PolarHBondContact O-N 2.88Š| ||
| 240 | S | 24.3 | Very low | 28.9 | Very low | 119 Ų | 119 | 116.6 Ų | 116.6 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -51 | 115.8 | 143.1 | 52.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 241 | T | 25.1 | Very low | 28.5 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | trans | -145.1 | 119.4 | 154.1 | 35.4 | 0 | 0 | 0 | 0 | 111.6 | S239 | S239-T241 PolarHBondContact O-N 2.88Š| ||
| 242 | S | 24.6 | Very low | 28.3 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 49 | 121.3 | 140.9 | 22.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 243 | A | 27.9 | Very low | 28 | Very low | 103 Ų | 103 | 117.8 Ų | 117.8 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | -44.8 | 133.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 244 | S | 25.3 | Very low | 27.8 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -160.7 | 149.4 | 145.2 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 245 | K | 28.4 | Very low | 27.5 | Very low | 178 Ų | 178 | 124.4 Ų | 124.4 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | trans | -66.4 | 170.9 | -178.9 | -87.8 | 166.4 | 162.6 | 172.2 | 0 | 113.7 | ||||
| 246 | Y | 25.5 | Very low | 27.4 | Very low | 234 Ų | 234 | 129.5 Ų | 129.5 | 92% | 0.918 | 78% | 0.779 | S | S | * | * | trans | 89.5 | 126.8 | 169.3 | -53.1 | -78.1 | 0 | 0 | 0 | 113.7 | ||||
| 247 | G | 26.3 | Very low | 27.6 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | cis | -172.1 | 172.7 | 8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 248 | Y | 28.4 | Very low | 28.1 | Very low | 248 Ų | 248 | 140.3 Ų | 140.3 | 97% | 0.973 | 78% | 0.783 | S | S | * | * | trans | -29.5 | 132.6 | 176.7 | -119.6 | -111.4 | 0 | 0 | 0 | 117.1 | ||||
| 249 | G | 27.6 | Very low | 29 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 153 | 106.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 250 | D | 28.8 | Very low | 30.3 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | 86.3 | 97 | 153.6 | -138.8 | 29 | 0 | 0 | 0 | 119.8 | G252 | D250-G252 PolarHBondContact O-N 3.45Š| ||
| 251 | D | 27.7 | Very low | 32.4 | Very low | 174 Ų | 174 | 138 Ų | 138 | 93% | 0.93 | 76% | 0.757 | S | S | * | * | trans | -74.6 | 108 | 164.9 | -81 | -37.4 | 0 | 0 | 0 | 109.5 | ||||
| 252 | G | 29.9 | Very low | 35.1 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -174 | -8.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 120 | D250 | D250-G252 PolarHBondContact O-N 3.45Š| ||
| 253 | S | 28.9 | Very low | 38.1 | Very low | 70 Ų | 70 | 131 Ų | 131 | 49% | 0.49 | 71% | 0.712 | S | S | . | * | trans | -129.7 | 17.7 | -167.7 | 59.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 254 | F | 30.4 | Very low | 40.8 | Very low | 164 Ų | 164 | 131 Ų | 131 | 72% | 0.719 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -16.6 | -179.6 | -102.2 | -86.8 | 0 | 0 | 0 | 115.2 | ||
| 255 | E | 30.4 | Very low | 44 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 84% | 0.841 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -33.5 | -180 | -70.6 | -160 | 150.5 | 0 | 0 | 114.1 | R257 K258 | E255-R257 VanDerWaalsContact C-N 3.26Å; E255-R257 PolarHBondContact O-N 3.45Å; E255-K258 PolarHBondContact O-N 2.98Å |
| 256 | E | 30.4 | Very low | 47.2 | Very low | 165 Ų | 165 | 119.2 Ų | 119.2 | 77% | 0.771 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.6 | -25 | 177.7 | -83.5 | -174.2 | 155 | 0 | 0 | 113.3 | K258 S259 | E256-K258 VanDerWaalsContact C-N 3.29Å; E256-K258 PolarHBondContact O-N 2.96Å; E256-S259 PolarHBondContact O-OG 3.24Å |
| 257 | R | 30.6 | Very low | 50.6 | Low | 184 Ų | 184 | 109.4 Ų | 109.4 | 69% | 0.694 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.4 | -18.4 | -179.7 | -75.9 | -176.2 | 178.9 | 169.7 | 1.9 | 114.3 | E255 | E255-R257 VanDerWaalsContact C-N 3.26Å; E255-R257 PolarHBondContact O-N 3.45Å |
| 258 | K | 38.5 | Very low | 53.9 | Low | 179 Ų | 179 | 106.1 Ų | 106.1 | 78% | 0.778 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -86.2 | -24.1 | -176.7 | -82.1 | -177.5 | 178 | 172.6 | 0 | 114.1 | E255 E256 | E255-K258 PolarHBondContact O-N 2.98Å; E256-K258 VanDerWaalsContact C-N 3.29Å; E256-K258 PolarHBondContact O-N 2.96Å |
| 259 | S | 43.7 | Very low | 57.1 | Low | 79 Ų | 79 | 94.3 Ų | 94.3 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -74.2 | -30 | -173.8 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | E256 D261 S262 | E256-S259 PolarHBondContact O-OG 3.24Å; S259-D261 VanDerWaalsContact C-N 3.32Å; S259-D261 PolarHBondContact O-N 3.41Å; S259-S262 PolarHBondContact O-OG 2.96Å |
| 260 | D | 53.4 | Low | 60.2 | Low | 107 Ų | 107 | 92.5 Ų | 92.5 | 57% | 0.572 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -6.7 | -170.7 | -117.4 | 13.5 | 0 | 0 | 0 | 114.9 | P281 | D260-P281 VanDerWaalsContact O-CG 3.28Å; D260-P281 WeakPolarHBondContact O-CG 3.45Å |
| 261 | D | 68.3 | Low | 63.2 | Low | 107 Ų | 107 | 85.1 Ų | 85.1 | 57% | 0.572 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | 14.2 | -179.7 | -117.8 | 6.9 | 0 | 0 | 0 | 112.6 | S259 Y280 | S259-D261 VanDerWaalsContact C-N 3.32Å; S259-D261 PolarHBondContact O-N 3.41Å; D261-Y280 VanDerWaalsContact O-CD1 3.28Å; D261-Y280 WeakPolarHBondContact O-CD1 3.16Å; D261-Y280 WeakPolarHBondContact O-CE1 3.16Å |
| 262 | S | 81.9 | Confident | 66.2 | Low | 64 Ų | 64 | 77.4 Ų | 77.4 | 45% | 0.448 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -75.6 | 139.6 | 178.1 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | S259 R264 P281 | S259-S262 PolarHBondContact O-OG 2.96Å; S262-R264 PolarHBondContact O-N 2.83Å; S262-P281 WeakPolarHBondContact O-CD 3.32Å |
| 263 | C | 87.8 | Confident | 69.1 | Low | 14 Ų | 14 | 75.3 Ų | 75.3 | 10% | 0.095 | 37% | 0.372 | C | S | . | . | trans | -64.9 | 120.3 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 109 | L171 Q265 V279 Y280 | L171-C263 HydrophobicContact CD1-CB 4.34Å; L171-C263 HydrophobicContact CD2-CB 3.86Å; L171-C263 WeakPolarHBondContact CD2-O 3.39Å; C263-Q265 PolarHBondContact SG-O 3.46Å; C263-Q265 VanDerWaalsContact SG-O 3.41Å; C263-V279 CarbonylContact C-O 3.56Å; C263-Y280 HydrophobicContact CB-CD1 4.2Å; C263-Y280 HydrophobicContact CB-CE1 3.74Å | ||
| 264 | R | 85.5 | Confident | 72 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | trans | -86.2 | -36.7 | -176.4 | -73.1 | -171.8 | 172.1 | 161 | 2.3 | 113.1 | S262 V279 P281 I307 E324 | S262-R264 PolarHBondContact O-N 2.83Å; R264-V279 PolarHBondContact N-O 3.06Å; R264-P281 HydrophobicContact CG-CG 4.2Å; R264-I307 PolarHBondContact NH1-O 3.2Å; R264-E324 IonicContact CZ-OE1 3.86Å; R264-E324 IonicContact NH1-OE1 2.99Å; R264-E324 PolarHBondContact NH1-OE1 3.42Å; R264-E324 IonicContact NH2-OE1 2.72Å | ||
| 265 | Q | 92.6 | Very high | 75.1 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 19% | 0.192 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 139.2 | -174.1 | -179.1 | -169.8 | 9.7 | 0 | 0 | 109.6 | C263 V279 T309 L310 | C263-Q265 PolarHBondContact SG-O 3.46Å; C263-Q265 VanDerWaalsContact SG-O 3.41Å; Q265-V279 HydrophobicContact CB-CB 4.04Å; Q265-V279 HydrophobicContact CB-CG2 4.25Å; Q265-V279 PolarHBondContact N-O 3.26Å; Q265-V279 PolarHBondContact O-N 2.77Å; Q265-T309 PolarHBondContact OE1-OG1 2.87Å; Q265-L310 PolarHBondContact NE2-O 2.92Å |
| 266 | I | 95.2 | Very high | 78.2 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 5% | 0.046 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.8 | 163.5 | 61.9 | 173 | 0 | 0 | 0 | 107.9 | A157 A159 A169 L171 L276 F277 L278 | A157-I266 HydrophobicContact CB-CD1 4.13Å; A157-I266 HydrophobicContact CB-CG1 3.81Å; A159-I266 HydrophobicContact CB-CD1 4.25Å; A159-I266 HydrophobicContact CB-CG1 4.07Å; A169-I266 HydrophobicContact CB-CD1 4.17Å; A169-I266 WeakPolarHBondContact O-CD1 3.45Å; L171-I266 HydrophobicContact CB-CD1 4.27Å; L171-I266 HydrophobicContact CB-CG2 4.29Å; L171-I266 HydrophobicContact CD1-CG2 4.47Å; I266-L276 HydrophobicContact CB-CD1 4.44Å; I266-F277 WeakPolarHBondContact CA-O 3.3Å; I266-L278 HydrophobicContact CB-CD2 4.5Å; I266-L278 HydrophobicContact CG2-CD2 3.62Å |
| 267 | V | 95.9 | Very high | 81.3 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 129.8 | 178 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | F277 L310 P312 | V267-F277 HydrophobicContact CG1-CB 3.82Å; V267-F277 HydrophobicContact CG1-CD2 4.19Å; V267-F277 HydrophobicContact CG1-CG 4.43Å; V267-F277 PolarHBondContact N-O 2.83Å; V267-F277 VanDerWaalsContact N-O 3.09Å; V267-F277 PolarHBondContact O-N 2.72Å; V267-L310 HydrophobicContact CG1-CD2 3.88Å; V267-P312 HydrophobicContact CG2-CG 3.84Å |
| 268 | F | 96.2 | Very high | 84.4 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.022 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 140.8 | 174.8 | -81.6 | -78.1 | 0 | 0 | 0 | 110.2 | A159 L160 D161 P162 R167 A169 S270 L276 V289 P312 | A159-F268 HydrophobicContact CB-CD2 3.69Å; A159-F268 HydrophobicContact CB-CE2 4.02Å; A159-F268 WeakPolarHBondContact O-CE2 3.45Å; L160-F268 VanDerWaalsContact C-CD2 3.45Å; L160-F268 VanDerWaalsContact O-CD2 3.29Å; L160-F268 WeakPolarHBondContact O-CD2 3.46Å; D161-F268 HydrophobicContact CB-CD1 4.23Å; D161-F268 HydrophobicContact CB-CD2 4.08Å; D161-F268 HydrophobicContact CB-CE1 4.09Å; D161-F268 HydrophobicContact CB-CE2 3.91Å; D161-F268 HydrophobicContact CB-CG 4.23Å; D161-F268 HydrophobicContact CB-CZ 3.92Å; P162-F268 VanDerWaalsContact CD-CB 3.4Å; P162-F268 HydrophobicContact CG-CB 4.23Å; R167-F268 HydrophobicContact CG-CZ 4.27Å; A169-F268 HydrophobicContact CB-CE2 3.62Å; A169-F268 HydrophobicContact CB-CZ 3.74Å; F268-S270 PolarHBondContact O-N 3.25Å; F268-L276 HydrophobicContact CB-CD1 4.49Å; F268-L276 HydrophobicContact CD1-CB 4.2Å; F268-L276 HydrophobicContact CD1-CD1 3.86Å; F268-L276 HydrophobicContact CD2-CD1 3.88Å; F268-L276 HydrophobicContact CE1-CB 4.2Å; F268-L276 HydrophobicContact CE1-CD1 3.99Å; F268-L276 HydrophobicContact CE2-CD1 4.03Å; F268-L276 HydrophobicContact CG-CD1 3.8Å; F268-L276 HydrophobicContact CZ-CD1 4.08Å; F268-V289 HydrophobicContact CE1-CG1 4.18Å; F268-V289 HydrophobicContact CE1-CG2 4.41Å; F268-P312 WeakPolarHBondContact O-CG 3.4Å |
| 269 | H | 95.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -62.9 | 128.8 | 171.4 | -158.9 | -57.9 | 0 | 0 | 0 | 108.8 | F163 S271 T272 H275 F277 D317 Y350 | F163-H269 WeakPolarHBondContact CE2-O 3.28Å; H269-S271 PolarHBondContact CE1-OG 2.92Å; H269-S271 PolarHBondContact ND1-N 2.83Å; H269-S271 VanDerWaalsContact ND1-N 3.18Å; H269-S271 PolarHBondContact ND1-OG 3.14Å; H269-T272 VanDerWaalsContact CB-OG1 3.3Å; H269-T272 WeakPolarHBondContact CB-OG1 3.45Å; H269-T272 PolarHBondContact CD2-OG1 2.8Å; H269-T272 PolarHBondContact ND1-N 3.39Å; H269-T272 PolarHBondContact ND1-OG1 3.19Å; H269-H275 HydrophobicContact CB-CB 3.74Å; H269-H275 WeakPolarHBondContact CB-O 3.3Å; H269-H275 PolarHBondContact N-O 2.72Å; H269-F277 HydrophobicContact CB-CD2 4.46Å; H269-F277 HydrophobicContact CB-CE2 4.02Å; H269-F277 AromaticContact CD2-CE2 3.16Å; H269-F277 WeakPolarHBondContact CD2-CE2 3.36Å; H269-F277 AromaticContact CD2-CZ 3.3Å; H269-F277 WeakPolarHBondContact CD2-CZ 3.16Å; H269-F277 AromaticContact CG-CE2 3.78Å; H269-F277 AromaticContact NE2-CE2 3.81Å; H269-F277 AromaticContact NE2-CZ 3.71Å; H269-D317 IonicContact CE1-OD1 2.77Å; H269-D317 IonicContact NE2-OD1 3.68Å; H269-D317 PolarHBondContact NE2-OD1 2.85Å; H269-D317 VanDerWaalsContact NE2-OD1 3.1Å; H269-Y350 PolarHBondContact NE2-OH 3.49Å | ||
| 270 | S | 92.3 | Very high | 89.4 | Confident | 33 Ų | 33 | 30 Ų | 30 | 23% | 0.231 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -89.9 | -10.2 | -174.5 | -65.6 | 0 | 0 | 0 | 0 | 114.1 | F163 F268 | F163-S270 WeakPolarHBondContact CE2-O 3.23Å; F163-S270 VanDerWaalsContact CZ-O 3.26Å; F163-S270 WeakPolarHBondContact CZ-O 3.49Å; F268-S270 PolarHBondContact O-N 3.25Å |
| 271 | S | 92 | Very high | 91.2 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -115.8 | -2 | 175.9 | 89.4 | 0 | 0 | 0 | 0 | 115.4 | H269 C313 R314 R316 D317 | H269-S271 PolarHBondContact CE1-OG 2.92Å; H269-S271 PolarHBondContact ND1-N 2.83Å; H269-S271 VanDerWaalsContact ND1-N 3.18Å; H269-S271 PolarHBondContact ND1-OG 3.14Å; S271-C313 WeakPolarHBondContact CB-O 3.49Å; S271-C313 PolarHBondContact N-O 2.84Å; S271-R314 VanDerWaalsContact CB-O 3.3Å; S271-R314 WeakPolarHBondContact CB-O 3.25Å; S271-R316 WeakPolarHBondContact CB-O 3.47Å; S271-R316 PolarHBondContact OG-O 3.48Å; S271-D317 WeakPolarHBondContact OG-CA 3.44Å; S271-D317 PolarHBondContact OG-N 2.87Å |
| 272 | T | 90.9 | Very high | 92.2 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 7% | 0.074 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -138.6 | 116.4 | -179.4 | 61.9 | 0 | 0 | 0 | 0 | 109.5 | H269 H275 D317 | H269-T272 VanDerWaalsContact CB-OG1 3.3Å; H269-T272 WeakPolarHBondContact CB-OG1 3.45Å; H269-T272 PolarHBondContact CD2-OG1 2.8Å; H269-T272 PolarHBondContact ND1-N 3.39Å; H269-T272 PolarHBondContact ND1-OG1 3.19Å; T272-H275 WeakPolarHBondContact OG1-CB 3.42Å; T272-D317 HydrophobicContact CG2-CB 4.39Å; T272-D317 WeakPolarHBondContact CG2-OD2 3.19Å |
| 273 | R | 90.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 22 Ų | 22 | 12% | 0.117 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 150.9 | -178.8 | 63.4 | 177.9 | -179 | 138 | 21.2 | 112.5 | F163 H275 D917 E929 | F163-R273 HydrophobicContact CB-CB 4.21Å; F163-R273 HydrophobicContact CD1-CB 4.28Å; F163-R273 HydrophobicContact CD2-CB 4.27Å; F163-R273 HydrophobicContact CG-CB 4Å; R273-H275 PolarHBondContact O-N 3.2Å; R273-H275 VanDerWaalsContact O-N 3.07Å; R273-H275 PolarHBondContact O-ND1 2.99Å; R273-D917 WeakPolarHBondContact CD-OD2 3.43Å; R273-D917 WeakPolarHBondContact CG-OD2 3.49Å; R273-D917 IonicContact NE-OD2 3.97Å; R273-D917 PolarHBondContact NE-OD2 2.83Å; R273-E929 IonicContact CZ-OE1 3.24Å; R273-E929 IonicContact CZ-OE2 3.33Å; R273-E929 IonicContact NE-OE1 3.43Å; R273-E929 PolarHBondContact NE-OE1 3.45Å; R273-E929 IonicContact NH2-OE1 3.29Å; R273-E929 PolarHBondContact NH2-OE1 3.4Å; R273-E929 IonicContact NH2-OE2 2.64Å; R273-E929 PolarHBondContact NH2-OE2 3.09Å |
| 274 | N | 91.1 | Very high | 93 | Very high | 28 Ų | 28 | 21.4 Ų | 21.4 | 15% | 0.15 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 8.2 | 176 | -53 | -42.9 | 0 | 0 | 0 | 115.9 | R167 N288 V289 V290 | R167-N274 PolarHBondContact NH1-OD1 2.92Å; R167-N274 PolarHBondContact NH2-OD1 3.43Å; N274-N288 WeakPolarHBondContact CB-OD1 3.46Å; N274-N288 CarbonylContact O-C 3.54Å; N274-N288 VanDerWaalsContact O-CA 3.32Å; N274-N288 WeakPolarHBondContact O-CA 3.37Å; N274-N288 PolarHBondContact O-OD1 2.63Å; N274-V289 HydrophobicContact CB-CG2 4.27Å; N274-V289 WeakPolarHBondContact O-CG2 3.17Å; N274-V289 PolarHBondContact O-N 3Å; N274-V290 HydrophobicContact CB-CG2 3.93Å |
| 275 | H | 93.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 16.6 Ų | 16.6 | 3% | 0.028 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131.1 | -179.4 | -73 | 72.5 | 0 | 0 | 0 | 111.1 | H269 T272 R273 L286 V287 | H269-H275 HydrophobicContact CB-CB 3.74Å; H269-H275 WeakPolarHBondContact CB-O 3.3Å; H269-H275 PolarHBondContact N-O 2.72Å; T272-H275 WeakPolarHBondContact OG1-CB 3.42Å; R273-H275 PolarHBondContact O-N 3.2Å; R273-H275 VanDerWaalsContact O-N 3.07Å; R273-H275 PolarHBondContact O-ND1 2.99Å; H275-L286 HydrophobicContact CB-CD1 3.84Å; H275-L286 HydrophobicContact CB-CG 4.48Å; H275-V287 CarbonylContact C-O 3.59Å; H275-V287 WeakPolarHBondContact CA-O 3.39Å |
| 276 | L | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.2 | 179.2 | -177.5 | 74.5 | 0 | 0 | 0 | 109.7 | A159 A169 L177 I266 F268 L278 V287 V289 | A159-L276 HydrophobicContact CB-CD1 4.45Å; A169-L276 HydrophobicContact CB-CD1 4.31Å; A169-L276 HydrophobicContact CB-CD2 4.13Å; L177-L276 HydrophobicContact CD1-CD2 3.63Å; L177-L276 HydrophobicContact CD2-CD2 3.85Å; L177-L276 HydrophobicContact CG-CD2 4.42Å; I266-L276 HydrophobicContact CB-CD1 4.44Å; F268-L276 HydrophobicContact CB-CD1 4.49Å; F268-L276 HydrophobicContact CD1-CB 4.2Å; F268-L276 HydrophobicContact CD1-CD1 3.86Å; F268-L276 HydrophobicContact CD2-CD1 3.88Å; F268-L276 HydrophobicContact CE1-CB 4.2Å; F268-L276 HydrophobicContact CE1-CD1 3.99Å; F268-L276 HydrophobicContact CE2-CD1 4.03Å; F268-L276 HydrophobicContact CG-CD1 3.8Å; F268-L276 HydrophobicContact CZ-CD1 4.08Å; L276-L278 HydrophobicContact CD2-CD2 3.98Å; L276-L278 HydrophobicContact CG-CD2 4.39Å; L276-V287 PolarHBondContact N-O 3.08Å; L276-V287 PolarHBondContact O-N 3.49Å; L276-V289 HydrophobicContact CB-CG1 3.52Å; L276-V289 HydrophobicContact CD2-CG1 4.23Å; L276-V289 HydrophobicContact CG-CG1 4.49Å |
| 277 | F | 96.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.4 | 168.7 | -68.7 | -76.8 | 0 | 0 | 0 | 110.1 | I266 V267 H269 V279 I284 L286 L310 P312 F319 Y350 | I266-F277 WeakPolarHBondContact CA-O 3.3Å; V267-F277 HydrophobicContact CG1-CB 3.82Å; V267-F277 HydrophobicContact CG1-CD2 4.19Å; V267-F277 HydrophobicContact CG1-CG 4.43Å; V267-F277 PolarHBondContact N-O 2.83Å; V267-F277 VanDerWaalsContact N-O 3.09Å; V267-F277 PolarHBondContact O-N 2.72Å; H269-F277 HydrophobicContact CB-CD2 4.46Å; H269-F277 HydrophobicContact CB-CE2 4.02Å; H269-F277 AromaticContact CD2-CE2 3.16Å; H269-F277 WeakPolarHBondContact CD2-CE2 3.36Å; H269-F277 AromaticContact CD2-CZ 3.3Å; H269-F277 WeakPolarHBondContact CD2-CZ 3.16Å; H269-F277 AromaticContact CG-CE2 3.78Å; H269-F277 AromaticContact NE2-CE2 3.81Å; H269-F277 AromaticContact NE2-CZ 3.71Å; F277-V279 HydrophobicContact CB-CG2 4.4Å; F277-I284 HydrophobicContact CD1-CG2 3.64Å; F277-I284 HydrophobicContact CE1-CG2 4.26Å; F277-L286 HydrophobicContact CD1-CB 4.23Å; F277-L286 HydrophobicContact CD1-CD1 3.68Å; F277-L286 HydrophobicContact CD1-CG 4.48Å; F277-L286 HydrophobicContact CD2-CD1 4.2Å; F277-L286 HydrophobicContact CE1-CB 4.19Å; F277-L286 HydrophobicContact CE1-CD1 3.63Å; F277-L286 HydrophobicContact CE1-CD2 4.28Å; F277-L286 HydrophobicContact CE1-CG 4.24Å; F277-L286 HydrophobicContact CE2-CD1 4.17Å; F277-L286 HydrophobicContact CG-CD1 3.97Å; F277-L286 HydrophobicContact CZ-CD1 3.89Å; F277-L310 HydrophobicContact CB-CD2 4.48Å; F277-L310 HydrophobicContact CD1-CD1 4.29Å; F277-L310 HydrophobicContact CD2-CD2 3.9Å; F277-L310 HydrophobicContact CE2-CD2 4.2Å; F277-L310 HydrophobicContact CG-CD1 4.49Å; F277-L310 HydrophobicContact CG-CD2 4.08Å; F277-P312 HydrophobicContact CE2-CB 4.16Å; F277-F319 HydrophobicContact CE1-CD1 4.18Å; F277-F319 HydrophobicContact CE1-CE1 4.08Å; F277-F319 AromaticContact CZ-CD1 3.83Å; F277-F319 HydrophobicContact CZ-CD1 3.83Å; F277-F319 HydrophobicContact CZ-CE1 4.17Å; F277-Y350 HydrophobicContact CE1-CE2 4.49Å |
| 278 | L | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 114.5 | 164.8 | -53.3 | 176 | 0 | 0 | 0 | 107.3 | I198 I266 L276 Y280 V285 V287 | I198-L278 HydrophobicContact CD1-CD1 3.75Å; I266-L278 HydrophobicContact CB-CD2 4.5Å; I266-L278 HydrophobicContact CG2-CD2 3.62Å; L276-L278 HydrophobicContact CD2-CD2 3.98Å; L276-L278 HydrophobicContact CG-CD2 4.39Å; L278-Y280 HydrophobicContact CB-CE2 3.93Å; L278-V285 HydrophobicContact CB-CB 4.28Å; L278-V285 PolarHBondContact N-O 3.4Å; L278-V285 PolarHBondContact O-N 3.46Å; L278-V287 HydrophobicContact CD1-CG2 3.91Å; L278-V287 HydrophobicContact CG-CG2 4.41Å |
| 279 | V | 94.3 | Very high | 92.9 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 2% | 0.018 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.7 | -173.9 | -173 | 0 | 0 | 0 | 0 | 109.1 | C263 R264 Q265 F277 I307 L310 | C263-V279 CarbonylContact C-O 3.56Å; R264-V279 PolarHBondContact N-O 3.06Å; Q265-V279 HydrophobicContact CB-CB 4.04Å; Q265-V279 HydrophobicContact CB-CG2 4.25Å; Q265-V279 PolarHBondContact N-O 3.26Å; Q265-V279 PolarHBondContact O-N 2.77Å; F277-V279 HydrophobicContact CB-CG2 4.4Å; V279-I307 HydrophobicContact CG1-CB 4.16Å; V279-I307 HydrophobicContact CG1-CD1 4.2Å; V279-I307 HydrophobicContact CG1-CG2 3.57Å; V279-L310 HydrophobicContact CG2-CB 3.89Å; V279-L310 HydrophobicContact CG2-CD1 4.32Å |
| 280 | Y | 92.3 | Very high | 92.6 | Very high | 31 Ų | 31 | 17.2 Ų | 17.2 | 12% | 0.122 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 165 | 174.6 | -64.2 | -90.9 | 0 | 0 | 0 | 109.6 | I198 D261 C263 L278 R282 G283 V285 | I198-Y280 WeakPolarHBondContact CG2-OH 2.97Å; D261-Y280 VanDerWaalsContact O-CD1 3.28Å; D261-Y280 WeakPolarHBondContact O-CD1 3.16Å; D261-Y280 WeakPolarHBondContact O-CE1 3.16Å; C263-Y280 HydrophobicContact CB-CD1 4.2Å; C263-Y280 HydrophobicContact CB-CE1 3.74Å; L278-Y280 HydrophobicContact CB-CE2 3.93Å; Y280-R282 PolarHBondContact O-N 3.44Å; Y280-R282 VanDerWaalsContact O-N 3.12Å; Y280-G283 WeakPolarHBondContact CA-O 3.37Å; Y280-G283 WeakPolarHBondContact CB-O 3.39Å; Y280-G283 PolarHBondContact N-O 2.93Å; Y280-G283 PolarHBondContact O-N 3.08Å; Y280-V285 HydrophobicContact CD2-CG2 4.25Å; Y280-V285 HydrophobicContact CE2-CB 4.46Å; Y280-V285 HydrophobicContact CE2-CG2 3.91Å |
| 281 | P | 90.8 | Very high | 92.3 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 4% | 0.039 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -34 | 179.4 | -28.6 | 39.5 | 0 | 0 | 0 | 112.7 | D260 S262 R264 P306 I307 | D260-P281 VanDerWaalsContact O-CG 3.28Å; D260-P281 WeakPolarHBondContact O-CG 3.45Å; S262-P281 WeakPolarHBondContact O-CD 3.32Å; R264-P281 HydrophobicContact CG-CG 4.2Å; P281-P306 HydrophobicContact CB-CB 4.21Å; P281-P306 CarbonylContact O-C 3.57Å; P281-P306 WeakPolarHBondContact O-CA 3.37Å; P281-I307 PolarHBondContact O-N 2.86Å |
| 282 | R | 90.1 | Very high | 92.2 | Very high | 94 Ų | 94 | 16.6 Ų | 16.6 | 36% | 0.355 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | 25.6 | -179.1 | -65.7 | -176.5 | 172.2 | 153 | -1.1 | 113.8 | Y280 F300 R302 | Y280-R282 PolarHBondContact O-N 3.44Å; Y280-R282 VanDerWaalsContact O-N 3.12Å; R282-F300 PolarHBondContact O-N 3.38Å; R282-R302 VanDerWaalsContact CZ-O 3.25Å; R282-R302 PolarHBondContact NH2-O 2.99Å |
| 283 | G | 91.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 17.2 Ų | 17.2 | 9% | 0.093 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 156.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y280 L298 | Y280-G283 WeakPolarHBondContact CA-O 3.37Å; Y280-G283 WeakPolarHBondContact CB-O 3.39Å; Y280-G283 PolarHBondContact N-O 2.93Å; Y280-G283 PolarHBondContact O-N 3.08Å; G283-L298 CarbonylContact C-O 3.55Å; G283-L298 WeakPolarHBondContact CA-O 3.43Å |
| 284 | I | 94.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 128.5 | 174.6 | -57.9 | 159.6 | 0 | 0 | 0 | 107 | F277 C297 L298 F300 I307 L310 F319 L321 | F277-I284 HydrophobicContact CD1-CG2 3.64Å; F277-I284 HydrophobicContact CE1-CG2 4.26Å; I284-C297 WeakPolarHBondContact O-CA 3.1Å; I284-L298 HydrophobicContact CB-CB 4.25Å; I284-L298 HydrophobicContact CB-CD1 4.38Å; I284-L298 HydrophobicContact CD1-CD1 4.15Å; I284-L298 PolarHBondContact N-O 3.46Å; I284-L298 PolarHBondContact O-N 3.07Å; I284-F300 HydrophobicContact CD1-CE2 3.89Å; I284-F300 HydrophobicContact CD1-CZ 4.14Å; I284-F300 HydrophobicContact CG1-CE2 4.2Å; I284-I307 HydrophobicContact CD1-CD1 4.03Å; I284-I307 HydrophobicContact CG1-CD1 3.7Å; I284-L310 HydrophobicContact CD1-CD1 3.75Å; I284-L310 HydrophobicContact CG1-CD1 4.18Å; I284-L310 HydrophobicContact CG2-CD1 4.01Å; I284-F319 HydrophobicContact CD1-CE2 4.18Å; I284-F319 HydrophobicContact CD1-CZ 4.17Å; I284-L321 HydrophobicContact CD1-CD1 3.93Å; I284-L321 HydrophobicContact CD1-CD2 4.34Å |
| 285 | V | 92.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.024 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.9 | 174.5 | -174.4 | 0 | 0 | 0 | 0 | 107.9 | I224 L278 Y280 V287 T294 | I224-V285 HydrophobicContact CG2-CG1 4.46Å; I224-V285 HydrophobicContact CG2-CG2 4.49Å; L278-V285 HydrophobicContact CB-CB 4.28Å; L278-V285 PolarHBondContact N-O 3.4Å; L278-V285 PolarHBondContact O-N 3.46Å; Y280-V285 HydrophobicContact CD2-CG2 4.25Å; Y280-V285 HydrophobicContact CE2-CB 4.46Å; Y280-V285 HydrophobicContact CE2-CG2 3.91Å; V285-V287 HydrophobicContact CG1-CG2 3.85Å; V285-T294 HydrophobicContact CG1-CG2 3.64Å |
| 286 | L | 94.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 122.9 | 172.7 | -176 | 60.8 | 0 | 0 | 0 | 108.6 | H275 F277 V295 V296 Y350 | H275-L286 HydrophobicContact CB-CD1 3.84Å; H275-L286 HydrophobicContact CB-CG 4.48Å; F277-L286 HydrophobicContact CD1-CB 4.23Å; F277-L286 HydrophobicContact CD1-CD1 3.68Å; F277-L286 HydrophobicContact CD1-CG 4.48Å; F277-L286 HydrophobicContact CD2-CD1 4.2Å; F277-L286 HydrophobicContact CE1-CB 4.19Å; F277-L286 HydrophobicContact CE1-CD1 3.63Å; F277-L286 HydrophobicContact CE1-CD2 4.28Å; F277-L286 HydrophobicContact CE1-CG 4.24Å; F277-L286 HydrophobicContact CE2-CD1 4.17Å; F277-L286 HydrophobicContact CG-CD1 3.97Å; F277-L286 HydrophobicContact CZ-CD1 3.89Å; L286-V295 HydrophobicContact CG-CB 4.43Å; L286-V295 PolarHBondContact O-N 3.36Å; L286-V296 HydrophobicContact CB-CB 4.04Å; L286-V296 HydrophobicContact CD2-CG2 4.33Å; L286-V296 PolarHBondContact N-O 2.89Å; L286-V296 PolarHBondContact O-N 3.09Å; L286-Y350 HydrophobicContact CD2-CE2 4.07Å |
| 287 | V | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.4 | -177 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | L222 H275 L276 L278 V285 M292 Q293 | L222-V287 HydrophobicContact CD1-CG1 4.15Å; L222-V287 HydrophobicContact CD2-CG1 4.39Å; L222-V287 HydrophobicContact CD2-CG2 4.42Å; H275-V287 CarbonylContact C-O 3.59Å; H275-V287 WeakPolarHBondContact CA-O 3.39Å; L276-V287 PolarHBondContact N-O 3.08Å; L276-V287 PolarHBondContact O-N 3.49Å; L278-V287 HydrophobicContact CD1-CG2 3.91Å; L278-V287 HydrophobicContact CG-CG2 4.41Å; V285-V287 HydrophobicContact CG1-CG2 3.85Å; V287-M292 HydrophobicContact CG1-SD 4.11Å; V287-Q293 CarbonylContact C-O 3.35Å; V287-Q293 WeakPolarHBondContact CA-O 3.23Å |
| 288 | N | 91.7 | Very high | 90.9 | Very high | 24 Ų | 24 | 18.6 Ų | 18.6 | 13% | 0.128 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 114.8 | 163.6 | -174.9 | -19.3 | 0 | 0 | 0 | 108.6 | N274 V290 P291 M292 Q293 V295 | N274-N288 WeakPolarHBondContact CB-OD1 3.46Å; N274-N288 CarbonylContact O-C 3.54Å; N274-N288 VanDerWaalsContact O-CA 3.32Å; N274-N288 WeakPolarHBondContact O-CA 3.37Å; N274-N288 PolarHBondContact O-OD1 2.63Å; N288-V290 VanDerWaalsContact C-N 3.3Å; N288-V290 PolarHBondContact O-N 2.95Å; N288-V290 PolarHBondContact OD1-N 2.85Å; N288-P291 HydrophobicContact CB-CG 4.17Å; N288-P291 VanDerWaalsContact CG-CD 3.49Å; N288-P291 VanDerWaalsContact OD1-CD 3.24Å; N288-P291 WeakPolarHBondContact OD1-CD 3.2Å; N288-M292 WeakPolarHBondContact O-CA 3.34Å; N288-M292 PolarHBondContact O-N 2.95Å; N288-Q293 PolarHBondContact N-O 3.47Å; N288-Q293 PolarHBondContact O-N 2.93Å; N288-V295 HydrophobicContact CB-CG2 3.87Å |
| 289 | V | 92.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.03 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -16.7 | -168.9 | -57.4 | 0 | 0 | 0 | 0 | 114 | L179 F268 N274 L276 M292 | L179-V289 HydrophobicContact CD1-CB 3.98Å; F268-V289 HydrophobicContact CE1-CG1 4.18Å; F268-V289 HydrophobicContact CE1-CG2 4.41Å; N274-V289 HydrophobicContact CB-CG2 4.27Å; N274-V289 WeakPolarHBondContact O-CG2 3.17Å; N274-V289 PolarHBondContact O-N 3Å; L276-V289 HydrophobicContact CB-CG1 3.52Å; L276-V289 HydrophobicContact CD2-CG1 4.23Å; L276-V289 HydrophobicContact CG-CG1 4.49Å; V289-M292 HydrophobicContact CB-SD 4.47Å |
| 290 | V | 89.1 | Confident | 90.3 | Very high | 63 Ų | 63 | 21.9 Ų | 21.9 | 38% | 0.382 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -58.7 | -179.4 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | N274 N288 M292 H948 | N274-V290 HydrophobicContact CB-CG2 3.93Å; N288-V290 VanDerWaalsContact C-N 3.3Å; N288-V290 PolarHBondContact O-N 2.95Å; N288-V290 PolarHBondContact OD1-N 2.85Å; V290-M292 VanDerWaalsContact C-N 3.25Å; V290-M292 PolarHBondContact O-N 3.29Å; V290-H948 VanDerWaalsContact CG1-CE1 3.41Å; V290-H948 WeakPolarHBondContact CG1-CE1 3.31Å |
| 291 | P | 87.4 | Confident | 90 | Very high | 15 Ų | 15 | 25.1 Ų | 25.1 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -3.3 | 171.2 | 34.1 | -35.6 | 0 | 0 | 0 | 113.3 | N288 Q293 Q945 H948 | N288-P291 HydrophobicContact CB-CG 4.17Å; N288-P291 VanDerWaalsContact CG-CD 3.49Å; N288-P291 VanDerWaalsContact OD1-CD 3.24Å; N288-P291 WeakPolarHBondContact OD1-CD 3.2Å; P291-Q293 HydrophobicContact CB-CB 4.39Å; P291-Q293 HydrophobicContact CG-CB 4.04Å; P291-Q293 PolarHBondContact O-N 3.01Å; P291-Q945 HydrophobicContact CB-CG 4.29Å; P291-Q945 VanDerWaalsContact O-CG 3.28Å; P291-Q945 WeakPolarHBondContact O-CG 3.49Å; P291-Q945 PolarHBondContact O-NE2 3.45Å; P291-H948 HydrophobicContact CB-CB 4.47Å |
| 292 | M | 88 | Confident | 89.5 | Confident | 11 Ų | 11 | 35.1 Ų | 35.1 | 5% | 0.054 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 55.9 | -170.2 | -79.2 | -58.5 | -160.4 | 0 | 0 | 112.8 | L177 L179 Y196 L222 V287 N288 V289 V290 Q945 | L177-M292 HydrophobicContact CD2-CE 3.45Å; L177-M292 VanDerWaalsContact CD2-CE 3.45Å; L177-M292 HydrophobicContact CD2-SD 4.1Å; L177-M292 HydrophobicContact CG-CE 4.16Å; L179-M292 HydrophobicContact CD1-CE 3.22Å; L179-M292 HydrophobicContact CG-CE 3.66Å; Y196-M292 HydrophobicContact CD1-CB 4.38Å; Y196-M292 HydrophobicContact CD1-CE 4.16Å; Y196-M292 HydrophobicContact CD1-CG 3.79Å; Y196-M292 HydrophobicContact CD2-CE 3.25Å; Y196-M292 HydrophobicContact CD2-CG 4.49Å; Y196-M292 HydrophobicContact CE1-CB 4.25Å; Y196-M292 HydrophobicContact CE1-CE 4.24Å; Y196-M292 HydrophobicContact CE1-CG 3.54Å; Y196-M292 HydrophobicContact CE2-CE 3.31Å; Y196-M292 HydrophobicContact CE2-CG 4.25Å; Y196-M292 HydrophobicContact CG-CE 3.67Å; Y196-M292 HydrophobicContact CG-CG 4.25Å; Y196-M292 HydrophobicContact CG-SD 4.49Å; L222-M292 HydrophobicContact CD1-CB 3.83Å; L222-M292 HydrophobicContact CD1-CE 4.41Å; L222-M292 HydrophobicContact CD1-CG 4.02Å; L222-M292 HydrophobicContact CD1-SD 3.41Å; L222-M292 WeakPolarHBondContact CD1-SD 3.38Å; L222-M292 HydrophobicContact CG-CB 4.41Å; V287-M292 HydrophobicContact CG1-SD 4.11Å; N288-M292 WeakPolarHBondContact O-CA 3.34Å; N288-M292 PolarHBondContact O-N 2.95Å; V289-M292 HydrophobicContact CB-SD 4.47Å; V290-M292 VanDerWaalsContact C-N 3.25Å; V290-M292 PolarHBondContact O-N 3.29Å; M292-Q945 PolarHBondContact O-NE2 2.88Å |
| 293 | Q | 85.9 | Confident | 89.2 | Confident | 26 Ų | 26 | 36 Ų | 36 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136.1 | -177.1 | -175.7 | 170.5 | 22.8 | 0 | 0 | 111.5 | V287 N288 P291 V295 C941 H949 | V287-Q293 CarbonylContact C-O 3.35Å; V287-Q293 WeakPolarHBondContact CA-O 3.23Å; N288-Q293 PolarHBondContact N-O 3.47Å; N288-Q293 PolarHBondContact O-N 2.93Å; P291-Q293 HydrophobicContact CB-CB 4.39Å; P291-Q293 HydrophobicContact CG-CB 4.04Å; P291-Q293 PolarHBondContact O-N 3.01Å; Q293-V295 PolarHBondContact O-N 3.16Å; Q293-C941 PolarHBondContact NE2-SG 2.9Å; Q293-C941 VanDerWaalsContact NE2-SG 3.45Å; Q293-H949 PolarHBondContact OE1-NE2 3.22Å |
| 294 | T | 86.9 | Confident | 88.9 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 10% | 0.104 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 125.1 | 171.7 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | V285 | V285-T294 HydrophobicContact CG1-CG2 3.64Å |
| 295 | V | 88.7 | Confident | 88.7 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 16% | 0.158 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -48.2 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | L286 N288 Q293 | L286-V295 HydrophobicContact CG-CB 4.43Å; L286-V295 PolarHBondContact O-N 3.36Å; N288-V295 HydrophobicContact CB-CG2 3.87Å; Q293-V295 PolarHBondContact O-N 3.16Å |
| 296 | V | 90.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.6 | 179.1 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | L286 L298 V348 Y350 | L286-V296 HydrophobicContact CB-CB 4.04Å; L286-V296 HydrophobicContact CD2-CG2 4.33Å; L286-V296 PolarHBondContact N-O 2.89Å; L286-V296 PolarHBondContact O-N 3.09Å; V296-L298 HydrophobicContact CG1-CD2 3.86Å; V296-L298 HydrophobicContact CG1-CG 3.95Å; V296-V348 HydrophobicContact CG2-CB 4.08Å; V296-V348 HydrophobicContact CG2-CG1 3.74Å; V296-Y350 HydrophobicContact CG1-CD2 4.28Å; V296-Y350 HydrophobicContact CG2-CE2 4.37Å |
| 297 | C | 89.7 | Confident | 88.6 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 119 | 167.9 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | Q227 L228 I284 | Q227-C297 HydrophobicContact CB-CB 4.06Å; L228-C297 WeakPolarHBondContact CD2-SG 3.28Å; L228-C297 VanDerWaalsContact CG-SG 3.54Å; I284-C297 WeakPolarHBondContact O-CA 3.1Å |
| 298 | L | 91.4 | Very high | 88.6 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126 | 174.2 | -54.8 | 174.1 | 0 | 0 | 0 | 108.1 | G283 I284 V296 F300 F319 Y350 | G283-L298 CarbonylContact C-O 3.55Å; G283-L298 WeakPolarHBondContact CA-O 3.43Å; I284-L298 HydrophobicContact CB-CB 4.25Å; I284-L298 HydrophobicContact CB-CD1 4.38Å; I284-L298 HydrophobicContact CD1-CD1 4.15Å; I284-L298 PolarHBondContact N-O 3.46Å; I284-L298 PolarHBondContact O-N 3.07Å; V296-L298 HydrophobicContact CG1-CD2 3.86Å; V296-L298 HydrophobicContact CG1-CG 3.95Å; L298-F300 HydrophobicContact CB-CE2 4.47Å; L298-F319 HydrophobicContact CD1-CZ 4.12Å; L298-Y350 HydrophobicContact CD1-CD2 4.37Å |
| 299 | V | 88.1 | Confident | 88.7 | Confident | 42 Ų | 42 | 40.5 Ų | 40.5 | 26% | 0.255 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.9 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | L228 A231 F232 | L228-V299 HydrophobicContact CD2-CG2 3.44Å; L228-V299 VanDerWaalsContact CD2-CG2 3.44Å; A231-V299 HydrophobicContact CB-CB 4.37Å; A231-V299 HydrophobicContact CB-CG2 3.83Å; F232-V299 HydrophobicContact CD1-CG1 4.01Å; F232-V299 HydrophobicContact CE1-CG1 3.43Å; F232-V299 VanDerWaalsContact CE1-CG1 3.43Å; F232-V299 HydrophobicContact CE2-CG1 4.49Å; F232-V299 HydrophobicContact CZ-CG1 3.69Å; F232-V299 HydrophobicContact CZ-CG2 4.44Å |
| 300 | F | 88.2 | Confident | 88.9 | Confident | 29 Ų | 29 | 40.3 Ų | 40.3 | 13% | 0.127 | 23% | 0.226 | C | C | . | . | trans | -105.7 | 145.7 | 176.9 | -62 | -84.2 | 0 | 0 | 0 | 110.5 | R282 I284 L298 A304 I307 L321 | R282-F300 PolarHBondContact O-N 3.38Å; I284-F300 HydrophobicContact CD1-CE2 3.89Å; I284-F300 HydrophobicContact CD1-CZ 4.14Å; I284-F300 HydrophobicContact CG1-CE2 4.2Å; L298-F300 HydrophobicContact CB-CE2 4.47Å; F300-A304 HydrophobicContact CB-CB 3.99Å; F300-I307 HydrophobicContact CD2-CD1 4.06Å; F300-I307 HydrophobicContact CE2-CD1 3.74Å; F300-L321 HydrophobicContact CE1-CD2 4.27Å; F300-L321 HydrophobicContact CE2-CD2 4.45Å; F300-L321 HydrophobicContact CZ-CD2 3.72Å | ||
| 301 | D | 85.8 | Confident | 89.3 | Confident | 99 Ų | 99 | 39 Ų | 39 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | trans | -58.3 | 153.8 | 176.2 | -73.5 | -27.9 | 0 | 0 | 0 | 111.8 | S303 A304 | D301-S303 PolarHBondContact O-N 2.64Å; D301-S303 VanDerWaalsContact O-N 3.14Å; D301-A304 VanDerWaalsContact O-CB 3.23Å; D301-A304 WeakPolarHBondContact O-CB 3.11Å; D301-A304 PolarHBondContact O-N 3.41Å | ||
| 302 | R | 81.3 | Confident | 89.7 | Confident | 216 Ų | 216 | 39.2 Ų | 39.2 | 82% | 0.815 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -20.3 | 178 | -68.6 | -172.8 | 179.3 | -176.5 | 0.9 | 113.6 | R282 A304 | R282-R302 VanDerWaalsContact CZ-O 3.25Å; R282-R302 PolarHBondContact NH2-O 2.99Å; R302-A304 VanDerWaalsContact C-N 3.31Å |
| 303 | S | 83.8 | Confident | 90.1 | Very high | 112 Ų | 112 | 38.7 Ų | 38.7 | 78% | 0.783 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -19.8 | 173.1 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | D301 | D301-S303 PolarHBondContact O-N 2.64Å; D301-S303 VanDerWaalsContact O-N 3.14Å |
| 304 | A | 85.4 | Confident | 90.4 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -70.6 | 142.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F300 D301 R302 | F300-A304 HydrophobicContact CB-CB 3.99Å; D301-A304 VanDerWaalsContact O-CB 3.23Å; D301-A304 WeakPolarHBondContact O-CB 3.11Å; D301-A304 PolarHBondContact O-N 3.41Å; R302-A304 VanDerWaalsContact C-N 3.31Å |
| 305 | S | 88.6 | Confident | 90.5 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 142.7 | 173 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | Q323 E324 N325 | S305-Q323 PolarHBondContact O-NE2 2.87Å; S305-E324 PolarHBondContact OG-N 2.93Å; S305-N325 WeakPolarHBondContact CB-ND2 3.48Å; S305-N325 WeakPolarHBondContact OG-CB 3.42Å; S305-N325 PolarHBondContact OG-N 3.29Å |
| 306 | P | 91.4 | Very high | 90.7 | Very high | 30 Ų | 30 | 38 Ų | 38 | 20% | 0.195 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 150.7 | 176.2 | -22.1 | 32 | 0 | 0 | 0 | 112.7 | P281 Q323 E324 | P281-P306 HydrophobicContact CB-CB 4.21Å; P281-P306 CarbonylContact O-C 3.57Å; P281-P306 WeakPolarHBondContact O-CA 3.37Å; P306-Q323 CarbonylContact O-C 3.43Å; P306-Q323 WeakPolarHBondContact O-CA 3.24Å; P306-E324 HydrophobicContact CB-CG 4.31Å; P306-E324 WeakPolarHBondContact CB-OE1 3.41Å; P306-E324 PolarHBondContact O-N 3.27Å |
| 307 | I | 93.7 | Very high | 90.9 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 128.6 | 174.9 | -58.9 | 171 | 0 | 0 | 0 | 108.9 | R264 V279 P281 I284 F300 L321 | R264-I307 PolarHBondContact NH1-O 3.2Å; V279-I307 HydrophobicContact CG1-CB 4.16Å; V279-I307 HydrophobicContact CG1-CD1 4.2Å; V279-I307 HydrophobicContact CG1-CG2 3.57Å; P281-I307 PolarHBondContact O-N 2.86Å; I284-I307 HydrophobicContact CD1-CD1 4.03Å; I284-I307 HydrophobicContact CG1-CD1 3.7Å; F300-I307 HydrophobicContact CD2-CD1 4.06Å; F300-I307 HydrophobicContact CE2-CD1 3.74Å; I307-L321 HydrophobicContact CB-CD1 4.47Å; I307-L321 HydrophobicContact CD1-CD1 4.06Å; I307-L321 HydrophobicContact CG1-CD1 4.08Å; I307-L321 HydrophobicContact CG2-CD1 3.59Å |
| 308 | A | 92.2 | Very high | 91.2 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 31% | 0.314 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -49.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | F322 E324 V368 | A308-F322 WeakPolarHBondContact CB-O 3.38Å; A308-F322 PolarHBondContact N-O 3.14Å; A308-E324 HydrophobicContact CB-CG 4.3Å; A308-V368 HydrophobicContact CB-CB 4.18Å; A308-V368 HydrophobicContact CB-CG1 4.14Å |
| 309 | T | 95.1 | Very high | 91.5 | Very high | 24 Ų | 24 | 36 Ų | 36 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 153.8 | 175.9 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | Q265 F322 A371 | Q265-T309 PolarHBondContact OE1-OG1 2.87Å; T309-F322 HydrophobicContact CG2-CB 3.99Å; T309-F322 HydrophobicContact CG2-CD2 3.73Å; T309-F322 HydrophobicContact CG2-CG 4.1Å; T309-F322 PolarHBondContact N-O 3.36Å; T309-F322 PolarHBondContact O-N 3.46Å; T309-A371 HydrophobicContact CG2-CB 3.98Å |
| 310 | L | 96.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.1 | 170.6 | -176.3 | 152.9 | 0 | 0 | 0 | 109.3 | Q265 V267 F277 V279 I284 F319 L321 | Q265-L310 PolarHBondContact NE2-O 2.92Å; V267-L310 HydrophobicContact CG1-CD2 3.88Å; F277-L310 HydrophobicContact CB-CD2 4.48Å; F277-L310 HydrophobicContact CD1-CD1 4.29Å; F277-L310 HydrophobicContact CD2-CD2 3.9Å; F277-L310 HydrophobicContact CE2-CD2 4.2Å; F277-L310 HydrophobicContact CG-CD1 4.49Å; F277-L310 HydrophobicContact CG-CD2 4.08Å; V279-L310 HydrophobicContact CG2-CB 3.89Å; V279-L310 HydrophobicContact CG2-CD1 4.32Å; I284-L310 HydrophobicContact CD1-CD1 3.75Å; I284-L310 HydrophobicContact CG1-CD1 4.18Å; I284-L310 HydrophobicContact CG2-CD1 4.01Å; L310-F319 HydrophobicContact CD1-CD1 4.47Å; L310-F319 HydrophobicContact CD1-CD2 3.64Å; L310-F319 HydrophobicContact CD1-CE1 4.48Å; L310-F319 HydrophobicContact CD1-CE2 3.68Å; L310-F319 HydrophobicContact CD1-CG 4.06Å; L310-F319 HydrophobicContact CD1-CZ 4.12Å; L310-F319 HydrophobicContact CD2-CB 4Å; L310-F319 HydrophobicContact CD2-CD2 4.34Å; L310-F319 HydrophobicContact CD2-CG 4.16Å; L310-F319 HydrophobicContact CG-CB 4.25Å; L310-F319 HydrophobicContact CG-CD2 3.73Å; L310-F319 HydrophobicContact CG-CE2 4.26Å; L310-F319 HydrophobicContact CG-CG 4.06Å; L310-L321 HydrophobicContact CB-CD1 4.4Å; L310-L321 HydrophobicContact CD1-CD1 4.42Å |
| 311 | L | 96.9 | Very high | 92.3 | Very high | 36 Ų | 36 | 32.6 Ų | 32.6 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 106.4 | 179.7 | -61.8 | 178.8 | 0 | 0 | 0 | 109.9 | F319 Y320 F322 V373 | L311-F319 WeakPolarHBondContact O-CA 3.38Å; L311-F319 WeakPolarHBondContact O-CB 3.47Å; L311-Y320 PolarHBondContact N-O 2.69Å; L311-Y320 PolarHBondContact O-N 3.4Å; L311-F322 HydrophobicContact CB-CE2 4.43Å; L311-F322 HydrophobicContact CD1-CD2 4.48Å; L311-F322 HydrophobicContact CD1-CE2 3.75Å; L311-F322 HydrophobicContact CD1-CZ 4.38Å; L311-F322 HydrophobicContact CG-CE2 4.13Å; L311-V373 HydrophobicContact CB-CG2 3.73Å; L311-V373 HydrophobicContact CD1-CG2 3.8Å; L311-V373 HydrophobicContact CG-CG2 4.43Å |
| 312 | P | 96.4 | Very high | 92.7 | Very high | 19 Ų | 19 | 27.9 Ų | 27.9 | 12% | 0.123 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 145.8 | 179.8 | 31.1 | -31.9 | 0 | 0 | 0 | 111.6 | V267 F268 F277 F319 | V267-P312 HydrophobicContact CG2-CG 3.84Å; F268-P312 WeakPolarHBondContact O-CG 3.4Å; F277-P312 HydrophobicContact CE2-CB 4.16Å; P312-F319 HydrophobicContact CB-CB 4.44Å |
| 313 | C | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -86.1 | 150.9 | 173.5 | -56 | 0 | 0 | 0 | 0 | 110.3 | S271 A318 E378 L409 | S271-C313 WeakPolarHBondContact CB-O 3.49Å; S271-C313 PolarHBondContact N-O 2.84Å; C313-A318 HydrophobicContact CB-CB 4.32Å; C313-A318 WeakPolarHBondContact CB-O 3.26Å; C313-A318 PolarHBondContact N-O 3.21Å; C313-E378 WeakPolarHBondContact CA-OE1 3.44Å; C313-L409 HydrophobicContact CB-CD2 3.56Å; C313-L409 VanDerWaalsContact SG-CD2 3.51Å | ||
| 314 | R | 91.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 14.3 Ų | 14.3 | 15% | 0.147 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -91.7 | -35.5 | 177.3 | 84.6 | -175.3 | -163.6 | 164.2 | -1.6 | 111.7 | S271 E378 D888 N914 F915 | S271-R314 VanDerWaalsContact CB-O 3.3Å; S271-R314 WeakPolarHBondContact CB-O 3.25Å; R314-E378 WeakPolarHBondContact CG-OE1 3.38Å; R314-E378 PolarHBondContact N-OE1 3Å; R314-E378 PolarHBondContact N-OE2 2.89Å; R314-D888 IonicContact CZ-OD1 2.91Å; R314-D888 IonicContact NH1-OD1 3.28Å; R314-D888 PolarHBondContact NH1-OD1 3.14Å; R314-D888 IonicContact NH1-OD2 3.87Å; R314-D888 PolarHBondContact NH1-OD2 2.97Å; R314-D888 IonicContact NH2-OD1 3.59Å; R314-D888 PolarHBondContact NH2-OD1 3.25Å; R314-N914 CarbonylContact O-C 3.58Å; R314-F915 HydrophobicContact CB-CB 3.89Å; R314-F915 HydrophobicContact CG-CB 4.06Å; R314-F915 HydrophobicContact CG-CD1 4.17Å; R314-F915 HydrophobicContact CG-CG 4.49Å; R314-F915 WeakPolarHBondContact O-CA 3.29Å; R314-F915 WeakPolarHBondContact O-CB 3.11Å; R314-F915 PolarHBondContact O-N 3.13Å; R314-F915 VanDerWaalsContact O-N 3.08Å |
| 315 | S | 89.7 | Confident | 93.6 | Very high | 9 Ų | 9 | 15.5 Ų | 15.5 | 6% | 0.063 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -79.2 | -29 | -168.8 | 65.9 | 0 | 0 | 0 | 0 | 112.8 | E378 V410 N914 | S315-E378 WeakPolarHBondContact CB-OE2 3.44Å; S315-E378 PolarHBondContact N-OE2 3.09Å; S315-E378 PolarHBondContact OG-OE2 3.03Å; S315-V410 VanDerWaalsContact CB-CG1 3.46Å; S315-N914 WeakPolarHBondContact O-CB 3.46Å; S315-N914 PolarHBondContact O-N 3.3Å; S315-N914 VanDerWaalsContact O-N 3.12Å |
| 316 | R | 93.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -141.4 | 157.4 | -179.4 | -64 | -63.2 | 179.9 | -128.2 | 8 | 110.9 | S271 A318 L409 V410 V413 V910 F912 | S271-R316 WeakPolarHBondContact CB-O 3.47Å; S271-R316 PolarHBondContact OG-O 3.48Å; R316-A318 PolarHBondContact O-N 2.77Å; R316-L409 HydrophobicContact CB-CD2 4.36Å; R316-V410 HydrophobicContact CG-CG1 4.24Å; R316-V413 HydrophobicContact CB-CB 4.49Å; R316-V413 HydrophobicContact CB-CG1 4.25Å; R316-V413 WeakPolarHBondContact CD-O 3.37Å; R316-V413 HydrophobicContact CG-CB 4.13Å; R316-V413 HydrophobicContact CG-CG1 4.2Å; R316-V413 PolarHBondContact NE-O 2.99Å; R316-V910 PolarHBondContact NH2-O 2.96Å; R316-F912 PolarHBondContact NH1-O 3.13Å |
| 317 | D | 94 | Very high | 93.5 | Very high | 9 Ų | 9 | 16.4 Ų | 16.4 | 5% | 0.048 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -75.5 | 75.3 | 176.6 | -166.7 | -27.4 | 0 | 0 | 0 | 109.8 | H269 S271 T272 K333 Y350 Q421 | H269-D317 IonicContact CE1-OD1 2.77Å; H269-D317 IonicContact NE2-OD1 3.68Å; H269-D317 PolarHBondContact NE2-OD1 2.85Å; H269-D317 VanDerWaalsContact NE2-OD1 3.1Å; S271-D317 WeakPolarHBondContact OG-CA 3.44Å; S271-D317 PolarHBondContact OG-N 2.87Å; T272-D317 HydrophobicContact CG2-CB 4.39Å; T272-D317 WeakPolarHBondContact CG2-OD2 3.19Å; D317-K333 HydrophobicContact CB-CB 4.19Å; D317-K333 HydrophobicContact CB-CD 4.4Å; D317-K333 VanDerWaalsContact CG-CD 3.41Å; D317-K333 PolarHBondContact O-N 2.81Å; D317-K333 WeakPolarHBondContact OD2-CD 3.49Å; D317-K333 IonicContact OD2-NZ 2.75Å; D317-K333 PolarHBondContact OD2-NZ 3.48Å; D317-Y350 WeakPolarHBondContact OD1-CE1 3.31Å; D317-Y350 PolarHBondContact OD1-OH 3.34Å; D317-Q421 PolarHBondContact O-NE2 2.93Å |
| 318 | A | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 158.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | C313 R316 L330 R331 I332 | C313-A318 HydrophobicContact CB-CB 4.32Å; C313-A318 WeakPolarHBondContact CB-O 3.26Å; C313-A318 PolarHBondContact N-O 3.21Å; R316-A318 PolarHBondContact O-N 2.77Å; A318-L330 HydrophobicContact CB-CD1 4.29Å; A318-R331 CarbonylContact C-O 3.56Å; A318-R331 WeakPolarHBondContact CA-O 3.34Å; A318-R331 WeakPolarHBondContact CB-O 3.24Å; A318-I332 HydrophobicContact CB-CB 4.48Å; A318-I332 HydrophobicContact CB-CG2 3.87Å |
| 319 | F | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 153.2 | 170.9 | 62.7 | -100.4 | 0 | 0 | 0 | 111.7 | F277 I284 L298 L310 L311 P312 L321 R331 Y350 | F277-F319 HydrophobicContact CE1-CD1 4.18Å; F277-F319 HydrophobicContact CE1-CE1 4.08Å; F277-F319 AromaticContact CZ-CD1 3.83Å; F277-F319 HydrophobicContact CZ-CD1 3.83Å; F277-F319 HydrophobicContact CZ-CE1 4.17Å; I284-F319 HydrophobicContact CD1-CE2 4.18Å; I284-F319 HydrophobicContact CD1-CZ 4.17Å; L298-F319 HydrophobicContact CD1-CZ 4.12Å; L310-F319 HydrophobicContact CD1-CD1 4.47Å; L310-F319 HydrophobicContact CD1-CD2 3.64Å; L310-F319 HydrophobicContact CD1-CE1 4.48Å; L310-F319 HydrophobicContact CD1-CE2 3.68Å; L310-F319 HydrophobicContact CD1-CG 4.06Å; L310-F319 HydrophobicContact CD1-CZ 4.12Å; L310-F319 HydrophobicContact CD2-CB 4Å; L310-F319 HydrophobicContact CD2-CD2 4.34Å; L310-F319 HydrophobicContact CD2-CG 4.16Å; L310-F319 HydrophobicContact CG-CB 4.25Å; L310-F319 HydrophobicContact CG-CD2 3.73Å; L310-F319 HydrophobicContact CG-CE2 4.26Å; L310-F319 HydrophobicContact CG-CG 4.06Å; L311-F319 WeakPolarHBondContact O-CA 3.38Å; L311-F319 WeakPolarHBondContact O-CB 3.47Å; P312-F319 HydrophobicContact CB-CB 4.44Å; F319-L321 HydrophobicContact CD2-CB 4.29Å; F319-L321 HydrophobicContact CE2-CB 4.1Å; F319-R331 HydrophobicContact CD2-CB 4.36Å; F319-R331 HydrophobicContact CE1-CB 4.31Å; F319-R331 HydrophobicContact CE2-CB 3.94Å; F319-R331 HydrophobicContact CE2-CG 4.06Å; F319-R331 HydrophobicContact CZ-CB 3.92Å; F319-R331 HydrophobicContact CZ-CG 4.32Å; F319-R331 PolarHBondContact N-O 3.01Å; F319-R331 PolarHBondContact O-N 3.24Å; F319-Y350 AromaticContact CD1-CD1 3.76Å; F319-Y350 HydrophobicContact CD1-CD1 3.76Å; F319-Y350 AromaticContact CD1-CE1 3.74Å; F319-Y350 HydrophobicContact CD1-CE1 3.74Å; F319-Y350 HydrophobicContact CD1-CG 4.36Å; F319-Y350 AromaticContact CE1-CD1 3.3Å; F319-Y350 HydrophobicContact CE1-CD1 3.3Å; F319-Y350 AromaticContact CE1-CD2 3.9Å; F319-Y350 HydrophobicContact CE1-CD2 3.9Å; F319-Y350 AromaticContact CE1-CE1 3.64Å; F319-Y350 HydrophobicContact CE1-CE1 3.64Å; F319-Y350 HydrophobicContact CE1-CE2 4.18Å; F319-Y350 AromaticContact CE1-CG 3.45Å; F319-Y350 HydrophobicContact CE1-CG 3.45Å; F319-Y350 VanDerWaalsContact CE1-CG 3.45Å; F319-Y350 HydrophobicContact CZ-CD1 4.23Å; F319-Y350 HydrophobicContact CZ-CG 4.11Å |
| 320 | Y | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 135.6 | 167.1 | -66.4 | -85 | 0 | 0 | 0 | 110.1 | L311 S329 L330 V373 E378 V381 L395 F429 | L311-Y320 PolarHBondContact N-O 2.69Å; L311-Y320 PolarHBondContact O-N 3.4Å; Y320-S329 CarbonylContact C-O 3.51Å; Y320-S329 WeakPolarHBondContact CA-O 3.4Å; Y320-L330 HydrophobicContact CD1-CB 4.17Å; Y320-L330 HydrophobicContact CD1-CD1 4.1Å; Y320-L330 HydrophobicContact CD2-CD1 4.43Å; Y320-L330 HydrophobicContact CE1-CB 4Å; Y320-L330 HydrophobicContact CE1-CD1 3.82Å; Y320-L330 HydrophobicContact CE1-CG 4.35Å; Y320-L330 HydrophobicContact CE2-CD1 4.2Å; Y320-L330 HydrophobicContact CG-CD1 4.41Å; Y320-V373 HydrophobicContact CD2-CG1 4.16Å; Y320-V373 HydrophobicContact CD2-CG2 3.47Å; Y320-V373 VanDerWaalsContact CD2-CG2 3.47Å; Y320-V373 HydrophobicContact CE2-CG1 3.84Å; Y320-V373 HydrophobicContact CE2-CG2 4.02Å; Y320-V373 HydrophobicContact CG-CG2 4.17Å; Y320-E378 PolarHBondContact OH-O 3.22Å; Y320-V381 HydrophobicContact CD1-CG1 3.61Å; Y320-V381 HydrophobicContact CD2-CG1 3.97Å; Y320-V381 HydrophobicContact CE1-CG1 3.59Å; Y320-V381 HydrophobicContact CE2-CG1 3.93Å; Y320-V381 HydrophobicContact CG-CG1 3.78Å; Y320-L395 WeakPolarHBondContact OH-CD1 3.47Å; Y320-F429 HydrophobicContact CD1-CE1 4.33Å; Y320-F429 HydrophobicContact CD1-CZ 4.01Å; Y320-F429 AromaticContact CE1-CE1 3.78Å; Y320-F429 HydrophobicContact CE1-CE1 3.78Å; Y320-F429 AromaticContact CE1-CZ 3.76Å; Y320-F429 HydrophobicContact CE1-CZ 3.76Å |
| 321 | L | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.5 | 178.3 | -176.7 | 68.8 | 0 | 0 | 0 | 109.8 | I284 F300 I307 L310 F319 I328 S329 | I284-L321 HydrophobicContact CD1-CD1 3.93Å; I284-L321 HydrophobicContact CD1-CD2 4.34Å; F300-L321 HydrophobicContact CE1-CD2 4.27Å; F300-L321 HydrophobicContact CE2-CD2 4.45Å; F300-L321 HydrophobicContact CZ-CD2 3.72Å; I307-L321 HydrophobicContact CB-CD1 4.47Å; I307-L321 HydrophobicContact CD1-CD1 4.06Å; I307-L321 HydrophobicContact CG1-CD1 4.08Å; I307-L321 HydrophobicContact CG2-CD1 3.59Å; L310-L321 HydrophobicContact CB-CD1 4.4Å; L310-L321 HydrophobicContact CD1-CD1 4.42Å; F319-L321 HydrophobicContact CD2-CB 4.29Å; F319-L321 HydrophobicContact CE2-CB 4.1Å; L321-I328 WeakPolarHBondContact O-CA 3.47Å; L321-S329 PolarHBondContact N-O 3.44Å; L321-S329 PolarHBondContact O-N 3.26Å |
| 322 | F | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 129.4 | 179.3 | -57.2 | -94.6 | 0 | 0 | 0 | 109.5 | A308 T309 L311 I328 V368 A371 V381 V383 | A308-F322 WeakPolarHBondContact CB-O 3.38Å; A308-F322 PolarHBondContact N-O 3.14Å; T309-F322 HydrophobicContact CG2-CB 3.99Å; T309-F322 HydrophobicContact CG2-CD2 3.73Å; T309-F322 HydrophobicContact CG2-CG 4.1Å; T309-F322 PolarHBondContact N-O 3.36Å; T309-F322 PolarHBondContact O-N 3.46Å; L311-F322 HydrophobicContact CB-CE2 4.43Å; L311-F322 HydrophobicContact CD1-CD2 4.48Å; L311-F322 HydrophobicContact CD1-CE2 3.75Å; L311-F322 HydrophobicContact CD1-CZ 4.38Å; L311-F322 HydrophobicContact CG-CE2 4.13Å; F322-I328 HydrophobicContact CD1-CB 4.44Å; F322-I328 HydrophobicContact CD1-CD1 4.31Å; F322-I328 HydrophobicContact CD1-CG1 3.89Å; F322-I328 HydrophobicContact CD1-CG2 4.04Å; F322-I328 HydrophobicContact CE1-CB 4.49Å; F322-I328 HydrophobicContact CE1-CD1 4.16Å; F322-I328 HydrophobicContact CE1-CG1 4.12Å; F322-I328 HydrophobicContact CE1-CG2 3.7Å; F322-I328 HydrophobicContact CZ-CG2 4.3Å; F322-V368 HydrophobicContact CB-CG1 4.49Å; F322-A371 HydrophobicContact CD1-CB 3.58Å; F322-A371 HydrophobicContact CD2-CB 3.87Å; F322-A371 HydrophobicContact CE1-CB 3.63Å; F322-A371 HydrophobicContact CE2-CB 3.92Å; F322-A371 HydrophobicContact CG-CB 3.71Å; F322-A371 HydrophobicContact CZ-CB 3.8Å; F322-V381 HydrophobicContact CE1-CB 4.39Å; F322-V381 HydrophobicContact CE1-CG2 4.38Å; F322-V381 HydrophobicContact CZ-CB 4.07Å; F322-V381 HydrophobicContact CZ-CG1 4.2Å; F322-V381 HydrophobicContact CZ-CG2 4.46Å; F322-V383 HydrophobicContact CD1-CG2 3.62Å; F322-V383 HydrophobicContact CE1-CG2 3.46Å; F322-V383 VanDerWaalsContact CE1-CG2 3.46Å |
| 323 | Q | 92.6 | Very high | 93.6 | Very high | 8 Ų | 8 | 13.2 Ų | 13.2 | 4% | 0.037 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 153.8 | 177.5 | -64.8 | -176.6 | -31 | 0 | 0 | 111.3 | S305 P306 N325 G326 M327 V368 | S305-Q323 PolarHBondContact O-NE2 2.87Å; P306-Q323 CarbonylContact O-C 3.43Å; P306-Q323 WeakPolarHBondContact O-CA 3.24Å; Q323-N325 VanDerWaalsContact CB-OD1 3.32Å; Q323-N325 WeakPolarHBondContact CB-OD1 3.34Å; Q323-N325 PolarHBondContact O-N 3.14Å; Q323-N325 VanDerWaalsContact O-N 3.13Å; Q323-G326 PolarHBondContact O-N 3.34Å; Q323-M327 HydrophobicContact CB-CB 4.16Å; Q323-M327 HydrophobicContact CG-CB 4.45Å; Q323-M327 PolarHBondContact N-O 2.87Å; Q323-M327 PolarHBondContact OE1-SD 3.01Å; Q323-V368 WeakPolarHBondContact O-CG2 3.26Å |
| 324 | E | 89.7 | Confident | 93.5 | Very high | 36 Ų | 36 | 16.1 Ų | 16.1 | 17% | 0.168 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -30.8 | -177.3 | -72.6 | -175.8 | -153.4 | 0 | 0 | 113.5 | R264 S305 P306 A308 G326 K367 V368 | R264-E324 IonicContact CZ-OE1 3.86Å; R264-E324 IonicContact NH1-OE1 2.99Å; R264-E324 PolarHBondContact NH1-OE1 3.42Å; R264-E324 IonicContact NH2-OE1 2.72Å; S305-E324 PolarHBondContact OG-N 2.93Å; P306-E324 HydrophobicContact CB-CG 4.31Å; P306-E324 WeakPolarHBondContact CB-OE1 3.41Å; P306-E324 PolarHBondContact O-N 3.27Å; A308-E324 HydrophobicContact CB-CG 4.3Å; E324-G326 PolarHBondContact O-N 2.88Å; E324-K367 HydrophobicContact CB-CD 4.48Å; E324-K367 WeakPolarHBondContact O-CA 3.39Å; E324-K367 WeakPolarHBondContact O-CB 3.39Å; E324-K367 IonicContact OE2-NZ 3.75Å; E324-K367 PolarHBondContact OE2-NZ 3.31Å; E324-V368 PolarHBondContact O-N 2.79Å |
| 325 | N | 86.7 | Confident | 93.4 | Very high | 48 Ų | 48 | 16.1 Ų | 16.1 | 26% | 0.257 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -1.4 | 177.8 | 68.6 | -11.3 | 0 | 0 | 0 | 114.8 | S305 Q323 M327 | S305-N325 WeakPolarHBondContact CB-ND2 3.48Å; S305-N325 WeakPolarHBondContact OG-CB 3.42Å; S305-N325 PolarHBondContact OG-N 3.29Å; Q323-N325 VanDerWaalsContact CB-OD1 3.32Å; Q323-N325 WeakPolarHBondContact CB-OD1 3.34Å; Q323-N325 PolarHBondContact O-N 3.14Å; Q323-N325 VanDerWaalsContact O-N 3.13Å; N325-M327 WeakPolarHBondContact OD1-CB 3.38Å; N325-M327 PolarHBondContact OD1-N 3.39Å |
| 326 | G | 86.8 | Confident | 93 | Very high | 18 Ų | 18 | 23 Ų | 23 | 19% | 0.186 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 94.6 | 1.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q323 E324 | Q323-G326 PolarHBondContact O-N 3.34Å; E324-G326 PolarHBondContact O-N 2.88Å |
| 327 | M | 90.2 | Very high | 92.4 | Very high | 51 Ų | 51 | 25.3 Ų | 25.3 | 25% | 0.251 | 13% | 0.128 | S | C | . | . | trans | -67.3 | 134.7 | 172.6 | -170.4 | -170.3 | -66.3 | 0 | 0 | 110.2 | Q323 N325 I356 | Q323-M327 HydrophobicContact CB-CB 4.16Å; Q323-M327 HydrophobicContact CG-CB 4.45Å; Q323-M327 PolarHBondContact N-O 2.87Å; Q323-M327 PolarHBondContact OE1-SD 3.01Å; N325-M327 WeakPolarHBondContact OD1-CB 3.38Å; N325-M327 PolarHBondContact OD1-N 3.39Å; M327-I356 WeakPolarHBondContact CG-O 3.36Å | ||
| 328 | I | 94 | Very high | 91.4 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.5 | 176.5 | -51.9 | 176.2 | 0 | 0 | 0 | 107.3 | L321 F322 H355 I356 V381 V383 Y393 F429 | L321-I328 WeakPolarHBondContact O-CA 3.47Å; F322-I328 HydrophobicContact CD1-CB 4.44Å; F322-I328 HydrophobicContact CD1-CD1 4.31Å; F322-I328 HydrophobicContact CD1-CG1 3.89Å; F322-I328 HydrophobicContact CD1-CG2 4.04Å; F322-I328 HydrophobicContact CE1-CB 4.49Å; F322-I328 HydrophobicContact CE1-CD1 4.16Å; F322-I328 HydrophobicContact CE1-CG1 4.12Å; F322-I328 HydrophobicContact CE1-CG2 3.7Å; F322-I328 HydrophobicContact CZ-CG2 4.3Å; I328-H355 CarbonylContact O-C 3.49Å; I328-H355 WeakPolarHBondContact O-CA 3.45Å; I328-H355 WeakPolarHBondContact O-CB 3.46Å; I328-I356 HydrophobicContact CB-CB 4.3Å; I328-I356 HydrophobicContact CB-CD1 4.07Å; I328-I356 HydrophobicContact CD1-CD1 3.8Å; I328-I356 HydrophobicContact CG1-CD1 4.34Å; I328-I356 PolarHBondContact N-O 2.94Å; I328-I356 PolarHBondContact O-N 2.76Å; I328-V381 HydrophobicContact CG2-CG2 4.33Å; I328-V383 HydrophobicContact CD1-CG2 3.5Å; I328-V383 VanDerWaalsContact CD1-CG2 3.5Å; I328-V383 HydrophobicContact CG1-CG2 4.29Å; I328-Y393 HydrophobicContact CD1-CD2 3.72Å; I328-Y393 HydrophobicContact CD1-CE2 3.67Å; I328-F429 HydrophobicContact CG2-CE2 4.42Å; I328-F429 HydrophobicContact CG2-CZ 4.13Å |
| 329 | S | 95.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 140.2 | 174.7 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | Y320 L321 C354 | Y320-S329 CarbonylContact C-O 3.51Å; Y320-S329 WeakPolarHBondContact CA-O 3.4Å; L321-S329 PolarHBondContact N-O 3.44Å; L321-S329 PolarHBondContact O-N 3.26Å; S329-C354 WeakPolarHBondContact CA-O 3.36Å |
| 330 | L | 97.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 126 | 167.1 | 175 | 64.2 | 0 | 0 | 0 | 108.5 | A318 Y320 I353 C354 L395 L409 L427 F429 | A318-L330 HydrophobicContact CB-CD1 4.29Å; Y320-L330 HydrophobicContact CD1-CB 4.17Å; Y320-L330 HydrophobicContact CD1-CD1 4.1Å; Y320-L330 HydrophobicContact CD2-CD1 4.43Å; Y320-L330 HydrophobicContact CE1-CB 4Å; Y320-L330 HydrophobicContact CE1-CD1 3.82Å; Y320-L330 HydrophobicContact CE1-CG 4.35Å; Y320-L330 HydrophobicContact CE2-CD1 4.2Å; Y320-L330 HydrophobicContact CG-CD1 4.41Å; L330-I353 PolarHBondContact O-N 3.06Å; L330-C354 PolarHBondContact N-O 3.41Å; L330-L395 HydrophobicContact CD2-CD1 3.85Å; L330-L395 HydrophobicContact CD2-CD2 4.13Å; L330-L409 HydrophobicContact CD2-CD1 4.31Å; L330-L427 HydrophobicContact CD2-CD1 4.42Å; L330-F429 HydrophobicContact CB-CZ 4.12Å |
| 331 | R | 97.1 | Very high | 88.7 | Confident | 34 Ų | 34 | 45.2 Ų | 45.2 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138 | 178 | -54.5 | -169.5 | 176.8 | -135.3 | -11.4 | 111.2 | A318 F319 E351 T352 | A318-R331 CarbonylContact C-O 3.56Å; A318-R331 WeakPolarHBondContact CA-O 3.34Å; A318-R331 WeakPolarHBondContact CB-O 3.24Å; F319-R331 HydrophobicContact CD2-CB 4.36Å; F319-R331 HydrophobicContact CE1-CB 4.31Å; F319-R331 HydrophobicContact CE2-CB 3.94Å; F319-R331 HydrophobicContact CE2-CG 4.06Å; F319-R331 HydrophobicContact CZ-CB 3.92Å; F319-R331 HydrophobicContact CZ-CG 4.32Å; F319-R331 PolarHBondContact N-O 3.01Å; F319-R331 PolarHBondContact O-N 3.24Å; R331-E351 CarbonylContact C-O 3.59Å; R331-E351 WeakPolarHBondContact CA-O 3.41Å; R331-T352 PolarHBondContact NE-OG1 3.12Å; R331-T352 PolarHBondContact NH2-OG1 2.79Å |
| 332 | I | 95.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.9 | 178.2 | 74.5 | 175.9 | 0 | 0 | 0 | 110.5 | A318 K334 Y350 E351 I353 V413 Q421 V423 | A318-I332 HydrophobicContact CB-CB 4.48Å; A318-I332 HydrophobicContact CB-CG2 3.87Å; I332-K334 HydrophobicContact CG1-CG 4.49Å; I332-Y350 WeakPolarHBondContact O-CA 3.43Å; I332-E351 PolarHBondContact N-O 2.98Å; I332-E351 PolarHBondContact O-N 3Å; I332-I353 HydrophobicContact CB-CG1 4.28Å; I332-I353 HydrophobicContact CD1-CD1 3.63Å; I332-I353 HydrophobicContact CD1-CG1 3.69Å; I332-I353 HydrophobicContact CG1-CD1 3.72Å; I332-I353 HydrophobicContact CG1-CG1 3.58Å; I332-I353 HydrophobicContact CG2-CG1 3.89Å; I332-V413 HydrophobicContact CD1-CG1 4.42Å; I332-V413 HydrophobicContact CG2-CG1 4.29Å; I332-V413 HydrophobicContact CG2-CG2 4.14Å; I332-Q421 HydrophobicContact CD1-CB 4.43Å; I332-V423 HydrophobicContact CD1-CG2 3.59Å |
| 333 | K | 94.6 | Very high | 86.9 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 136 | 175.6 | -174 | 175.2 | -177.6 | -179.9 | 0 | 111.9 | D317 Y335 V348 Y350 | D317-K333 HydrophobicContact CB-CB 4.19Å; D317-K333 HydrophobicContact CB-CD 4.4Å; D317-K333 VanDerWaalsContact CG-CD 3.41Å; D317-K333 PolarHBondContact O-N 2.81Å; D317-K333 WeakPolarHBondContact OD2-CD 3.49Å; D317-K333 IonicContact OD2-NZ 2.75Å; D317-K333 PolarHBondContact OD2-NZ 3.48Å; K333-Y335 WeakPolarHBondContact CE-OH 3.48Å; K333-Y335 PolarHBondContact NZ-OH 2.89Å; K333-V348 HydrophobicContact CD-CG1 4.11Å; K333-V348 HydrophobicContact CG-CG1 3.73Å; K333-Y350 HydrophobicContact CB-CD1 4.28Å; K333-Y350 HydrophobicContact CB-CE1 3.84Å |
| 334 | K | 92 | Very high | 86.3 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 27% | 0.265 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 147.8 | 174.8 | -72.1 | -68.2 | -168.1 | -178.8 | 0 | 111.6 | I332 G349 E351 Q421 | I332-K334 HydrophobicContact CG1-CG 4.49Å; K334-G349 PolarHBondContact N-O 2.9Å; K334-G349 PolarHBondContact O-N 3.44Å; K334-E351 VanDerWaalsContact CE-OE2 3.24Å; K334-E351 WeakPolarHBondContact CE-OE2 3.32Å; K334-E351 HydrophobicContact CG-CB 3.82Å; K334-E351 WeakPolarHBondContact CG-OE2 3.43Å; K334-Q421 PolarHBondContact NZ-O 3.27Å |
| 335 | Y | 89.2 | Confident | 85.9 | Confident | 38 Ų | 38 | 60 Ų | 60 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.9 | 175.2 | -67.1 | -76.3 | 0 | 0 | 0 | 108.1 | K333 S337 L346 V348 R420 L931 T935 | K333-Y335 WeakPolarHBondContact CE-OH 3.48Å; K333-Y335 PolarHBondContact NZ-OH 2.89Å; Y335-S337 VanDerWaalsContact C-N 3.27Å; Y335-S337 PolarHBondContact O-N 2.79Å; Y335-L346 HydrophobicContact CD1-CD2 3.63Å; Y335-L346 HydrophobicContact CG-CD2 4.02Å; Y335-V348 HydrophobicContact CD1-CG2 3.6Å; Y335-V348 HydrophobicContact CE1-CG2 3.54Å; Y335-R420 HydrophobicContact CD2-CG 3.84Å; Y335-R420 HydrophobicContact CE2-CG 4.31Å; Y335-L931 HydrophobicContact CE1-CD2 4.47Å; Y335-L931 HydrophobicContact CE2-CD1 4.35Å; Y335-T935 HydrophobicContact CE1-CG2 4.28Å |
| 336 | Q | 82.2 | Confident | 85.8 | Confident | 155 Ų | 155 | 58 Ų | 58 | 72% | 0.724 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -73 | -16.5 | -175.7 | -71.5 | -174.4 | -6.4 | 0 | 0 | 114.3 | T347 | Q336-T347 HydrophobicContact CG-CG2 4.36Å; Q336-T347 PolarHBondContact N-O 3.19Å; Q336-T347 VanDerWaalsContact N-O 3.09Å |
| 337 | S | 79.6 | Confident | 85.8 | Confident | 55 Ų | 55 | 60.9 Ų | 60.9 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | trans | -131 | 147.3 | 179.9 | 178 | 0 | 0 | 0 | 0 | 111.6 | Y335 K339 R420 | Y335-S337 VanDerWaalsContact C-N 3.27Å; Y335-S337 PolarHBondContact O-N 2.79Å; S337-K339 PolarHBondContact OG-N 2.84Å; S337-R420 PolarHBondContact O-NH2 2.89Å; S337-R420 VanDerWaalsContact O-NH2 3.07Å | ||
| 338 | V | 73.4 | Confident | 85.7 | Confident | 115 Ų | 115 | 59.2 Ų | 59.2 | 70% | 0.697 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -83.8 | -32 | 175.7 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | R420 | V338-R420 VanDerWaalsContact C-NH2 3.28Å; V338-R420 VanDerWaalsContact CA-NH2 3.33Å; V338-R420 PolarHBondContact O-NH1 3.04Å; V338-R420 PolarHBondContact O-NH2 3.17Å |
| 339 | K | 77 | Confident | 85.6 | Confident | 177 Ų | 177 | 60 Ų | 60 | 77% | 0.77 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -81.6 | 126 | -177.8 | -75.2 | -173.2 | 177.4 | -178.2 | 0 | 111.2 | S337 L346 | S337-K339 PolarHBondContact OG-N 2.84Å; K339-L346 WeakPolarHBondContact O-CD1 3.39Å |
| 340 | V | 75.2 | Confident | 85.6 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | trans | -82.6 | 113.3 | 171.6 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | L931 V934 | V340-L931 HydrophobicContact CG2-CD2 4.16Å; V340-V934 HydrophobicContact CG1-CB 4.19Å; V340-V934 HydrophobicContact CG1-CG1 4.36Å; V340-V934 HydrophobicContact CG1-CG2 3.64Å | ||
| 341 | D | 81.2 | Confident | 85.4 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 33% | 0.326 | 33% | 0.331 | S | S | . | . | trans | -139.6 | 112.8 | 175.4 | 176.7 | 8.8 | 0 | 0 | 0 | 108.7 | R343 N344 | D341-R343 PolarHBondContact O-N 3.38Å; D341-R343 WeakPolarHBondContact OD1-CB 3.38Å; D341-R343 PolarHBondContact OD1-N 3.25Å; D341-N344 HydrophobicContact CB-CB 4.48Å; D341-N344 CarbonylContact O-C 3.58Å; D341-N344 PolarHBondContact O-N 2.83Å; D341-N344 VanDerWaalsContact O-N 3.11Å; D341-N344 PolarHBondContact OD2-ND2 3.38Å | ||
| 342 | F | 79.6 | Confident | 85.3 | Confident | 26 Ų | 26 | 66.3 Ų | 66.3 | 11% | 0.114 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17.6 | 179.9 | -68.7 | -80.3 | 0 | 0 | 0 | 113.3 | C933 V934 F938 L953 E958 T961 | F342-C933 HydrophobicContact CE1-CB 4.02Å; F342-V934 HydrophobicContact CB-CG2 4.42Å; F342-V934 HydrophobicContact CD1-CB 4.21Å; F342-V934 HydrophobicContact CD1-CG2 3.55Å; F342-V934 HydrophobicContact CD2-CG2 4.36Å; F342-V934 HydrophobicContact CE1-CB 4.09Å; F342-V934 HydrophobicContact CE1-CG2 3.77Å; F342-V934 HydrophobicContact CG-CG2 3.86Å; F342-V934 HydrophobicContact CZ-CG2 4.29Å; F342-F938 HydrophobicContact CB-CE2 4.41Å; F342-F938 HydrophobicContact CD1-CE2 4.42Å; F342-F938 HydrophobicContact CD1-CZ 4.36Å; F342-L953 HydrophobicContact CD1-CD2 4.22Å; F342-L953 HydrophobicContact CE1-CD2 3.63Å; F342-L953 HydrophobicContact CZ-CD2 4.04Å; F342-E958 HydrophobicContact CE2-CG 4.09Å; F342-E958 HydrophobicContact CZ-CG 4.08Å; F342-T961 HydrophobicContact CB-CG2 3.48Å; F342-T961 VanDerWaalsContact CB-CG2 3.48Å; F342-T961 HydrophobicContact CD1-CG2 4.31Å; F342-T961 HydrophobicContact CD2-CG2 4.3Å; F342-T961 HydrophobicContact CG-CG2 3.8Å |
| 343 | R | 74.9 | Confident | 85.3 | Confident | 170 Ų | 170 | 68.2 Ų | 68.2 | 64% | 0.642 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -26 | 175.1 | -65.2 | -175.7 | 173 | 176.3 | 2.1 | 112.8 | D341 Q964 | D341-R343 PolarHBondContact O-N 3.38Å; D341-R343 WeakPolarHBondContact OD1-CB 3.38Å; D341-R343 PolarHBondContact OD1-N 3.25Å; R343-Q964 VanDerWaalsContact NE-OE1 3.14Å |
| 344 | N | 80.5 | Confident | 85.2 | Confident | 110 Ų | 110 | 67.8 Ų | 67.8 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -121.7 | 88.3 | -177.6 | -69.9 | -53.8 | 0 | 0 | 0 | 108.6 | D341 L346 | D341-N344 HydrophobicContact CB-CB 4.48Å; D341-N344 CarbonylContact O-C 3.58Å; D341-N344 PolarHBondContact O-N 2.83Å; D341-N344 VanDerWaalsContact O-N 3.11Å; D341-N344 PolarHBondContact OD2-ND2 3.38Å; N344-L346 PolarHBondContact O-N 3.48Å |
| 345 | P | 81.3 | Confident | 85.3 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 31% | 0.305 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -57 | 133.6 | -170.7 | 23.8 | -34.2 | 0 | 0 | 0 | 110.9 | T347 V934 D937 | P345-T347 PolarHBondContact O-N 3.07Å; P345-V934 CarbonylContact C-O 3.54Å; P345-V934 VanDerWaalsContact CA-O 3.27Å; P345-V934 WeakPolarHBondContact CA-O 3.42Å; P345-D937 HydrophobicContact CB-CB 4.37Å; P345-D937 HydrophobicContact CG-CB 3.97Å |
| 346 | L | 84.8 | Confident | 85.3 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -82 | 120.4 | -169.3 | -149.1 | 151.8 | 0 | 0 | 0 | 108.9 | Y335 K339 N344 V348 V934 | Y335-L346 HydrophobicContact CD1-CD2 3.63Å; Y335-L346 HydrophobicContact CG-CD2 4.02Å; K339-L346 WeakPolarHBondContact O-CD1 3.39Å; N344-L346 PolarHBondContact O-N 3.48Å; L346-V348 PolarHBondContact O-N 3.07Å; L346-V934 HydrophobicContact CB-CG1 3.47Å; L346-V934 VanDerWaalsContact CB-CG1 3.47Å; L346-V934 HydrophobicContact CD1-CG1 3.92Å; L346-V934 HydrophobicContact CG-CG1 4.33Å; L346-V934 PolarHBondContact N-O 2.78Å |
| 347 | T | 85.9 | Confident | 84.9 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 124.4 | -176.5 | -58.4 | 0 | 0 | 0 | 0 | 109.8 | Q336 P345 | Q336-T347 HydrophobicContact CG-CG2 4.36Å; Q336-T347 PolarHBondContact N-O 3.19Å; Q336-T347 VanDerWaalsContact N-O 3.09Å; P345-T347 PolarHBondContact O-N 3.07Å |
| 348 | V | 89.4 | Confident | 84.3 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.4 | 175.8 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | V296 K333 Y335 L346 T935 | V296-V348 HydrophobicContact CG2-CB 4.08Å; V296-V348 HydrophobicContact CG2-CG1 3.74Å; K333-V348 HydrophobicContact CD-CG1 4.11Å; K333-V348 HydrophobicContact CG-CG1 3.73Å; Y335-V348 HydrophobicContact CD1-CG2 3.6Å; Y335-V348 HydrophobicContact CE1-CG2 3.54Å; L346-V348 PolarHBondContact O-N 3.07Å; V348-T935 HydrophobicContact CG2-CG2 3.32Å |
| 349 | G | 91.1 | Very high | 83.4 | Confident | 20 Ų | 20 | 67.3 Ų | 67.3 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 172.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K334 | K334-G349 PolarHBondContact N-O 2.9Å; K334-G349 PolarHBondContact O-N 3.44Å |
| 350 | Y | 94.9 | Very high | 82.2 | Confident | 16 Ų | 16 | 70 Ų | 70 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.3 | 169.1 | -77.4 | -93.5 | 0 | 0 | 0 | 109.1 | H269 F277 L286 V296 L298 D317 F319 I332 K333 | H269-Y350 PolarHBondContact NE2-OH 3.49Å; F277-Y350 HydrophobicContact CE1-CE2 4.49Å; L286-Y350 HydrophobicContact CD2-CE2 4.07Å; V296-Y350 HydrophobicContact CG1-CD2 4.28Å; V296-Y350 HydrophobicContact CG2-CE2 4.37Å; L298-Y350 HydrophobicContact CD1-CD2 4.37Å; D317-Y350 WeakPolarHBondContact OD1-CE1 3.31Å; D317-Y350 PolarHBondContact OD1-OH 3.34Å; F319-Y350 AromaticContact CD1-CD1 3.76Å; F319-Y350 HydrophobicContact CD1-CD1 3.76Å; F319-Y350 AromaticContact CD1-CE1 3.74Å; F319-Y350 HydrophobicContact CD1-CE1 3.74Å; F319-Y350 HydrophobicContact CD1-CG 4.36Å; F319-Y350 AromaticContact CE1-CD1 3.3Å; F319-Y350 HydrophobicContact CE1-CD1 3.3Å; F319-Y350 AromaticContact CE1-CD2 3.9Å; F319-Y350 HydrophobicContact CE1-CD2 3.9Å; F319-Y350 AromaticContact CE1-CE1 3.64Å; F319-Y350 HydrophobicContact CE1-CE1 3.64Å; F319-Y350 HydrophobicContact CE1-CE2 4.18Å; F319-Y350 AromaticContact CE1-CG 3.45Å; F319-Y350 HydrophobicContact CE1-CG 3.45Å; F319-Y350 VanDerWaalsContact CE1-CG 3.45Å; F319-Y350 HydrophobicContact CZ-CD1 4.23Å; F319-Y350 HydrophobicContact CZ-CG 4.11Å; I332-Y350 WeakPolarHBondContact O-CA 3.43Å; K333-Y350 HydrophobicContact CB-CD1 4.28Å; K333-Y350 HydrophobicContact CB-CE1 3.84Å |
| 351 | E | 93.9 | Very high | 80.7 | Confident | 101 Ų | 101 | 71.4 Ų | 71.4 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.9 | 178.1 | -175.4 | 177.3 | -164.3 | 0 | 0 | 109.6 | R331 I332 K334 I353 | R331-E351 CarbonylContact C-O 3.59Å; R331-E351 WeakPolarHBondContact CA-O 3.41Å; I332-E351 PolarHBondContact N-O 2.98Å; I332-E351 PolarHBondContact O-N 3Å; K334-E351 VanDerWaalsContact CE-OE2 3.24Å; K334-E351 WeakPolarHBondContact CE-OE2 3.32Å; K334-E351 HydrophobicContact CG-CB 3.82Å; K334-E351 WeakPolarHBondContact CG-OE2 3.43Å; E351-I353 HydrophobicContact CG-CD1 4.28Å |
| 352 | T | 95 | Very high | 79 | Confident | 50 Ų | 50 | 73.3 Ų | 73.3 | 31% | 0.307 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118 | 173.7 | -57.9 | 0 | 0 | 0 | 0 | 109 | R331 H355 | R331-T352 PolarHBondContact NE-OG1 3.12Å; R331-T352 PolarHBondContact NH2-OG1 2.79Å; T352-H355 HydrophobicContact CG2-CB 4.28Å |
| 353 | I | 94.9 | Very high | 77.6 | Confident | 40 Ų | 40 | 74.7 Ų | 74.7 | 21% | 0.205 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -41.6 | -176.9 | -59.6 | -56.4 | 0 | 0 | 0 | 111.3 | L330 I332 E351 V423 L427 | L330-I353 PolarHBondContact O-N 3.06Å; I332-I353 HydrophobicContact CB-CG1 4.28Å; I332-I353 HydrophobicContact CD1-CD1 3.63Å; I332-I353 HydrophobicContact CD1-CG1 3.69Å; I332-I353 HydrophobicContact CG1-CD1 3.72Å; I332-I353 HydrophobicContact CG1-CG1 3.58Å; I332-I353 HydrophobicContact CG2-CG1 3.89Å; E351-I353 HydrophobicContact CG-CD1 4.28Å; I353-V423 HydrophobicContact CD1-CG2 4.29Å; I353-V423 HydrophobicContact CG1-CG2 4.3Å; I353-V423 HydrophobicContact CG2-CB 4.42Å; I353-V423 HydrophobicContact CG2-CG1 4.02Å; I353-V423 HydrophobicContact CG2-CG2 4.03Å; I353-L427 HydrophobicContact CG2-CB 4.44Å; I353-L427 HydrophobicContact CG2-CD1 3.95Å; I353-L427 HydrophobicContact CG2-CG 4.31Å |
| 354 | C | 94 | Very high | 76.5 | Confident | 6 Ų | 6 | 77 Ų | 77 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154 | 174.3 | 62.9 | 0 | 0 | 0 | 0 | 110 | S329 L330 L427 F429 | S329-C354 WeakPolarHBondContact CA-O 3.36Å; L330-C354 PolarHBondContact N-O 3.41Å; C354-L427 HydrophobicContact CB-CB 4.09Å; C354-L427 VanDerWaalsContact CB-O 3.24Å; C354-L427 WeakPolarHBondContact CB-O 3.43Å; C354-F429 HydrophobicContact CB-CD2 4.4Å; C354-F429 HydrophobicContact CB-CE2 4.32Å; C354-F429 WeakPolarHBondContact SG-CE2 3.24Å |
| 355 | H | 93.9 | Very high | 75.6 | Confident | 96 Ų | 96 | 75.4 Ų | 75.4 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 157 | 177.7 | 64 | -72.8 | 0 | 0 | 0 | 111.3 | I328 T352 D357 | I328-H355 CarbonylContact O-C 3.49Å; I328-H355 WeakPolarHBondContact O-CA 3.45Å; I328-H355 WeakPolarHBondContact O-CB 3.46Å; T352-H355 HydrophobicContact CG2-CB 4.28Å; H355-D357 IonicContact CD2-OD1 3.74Å; H355-D357 PolarHBondContact CD2-OD1 3.19Å; H355-D357 VanDerWaalsContact CD2-OD1 3.28Å; H355-D357 IonicContact NE2-OD1 2.96Å; H355-D357 PolarHBondContact NE2-OD1 3.34Å; H355-D357 IonicContact NE2-OD2 2.69Å |
| 356 | I | 88.9 | Confident | 75.1 | Confident | 22 Ų | 22 | 75.2 Ų | 75.2 | 11% | 0.113 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.7 | 167.1 | -67.8 | 157 | 0 | 0 | 0 | 106.8 | M327 I328 Y393 F429 | M327-I356 WeakPolarHBondContact CG-O 3.36Å; I328-I356 HydrophobicContact CB-CB 4.3Å; I328-I356 HydrophobicContact CB-CD1 4.07Å; I328-I356 HydrophobicContact CD1-CD1 3.8Å; I328-I356 HydrophobicContact CG1-CD1 4.34Å; I328-I356 PolarHBondContact N-O 2.94Å; I328-I356 PolarHBondContact O-N 2.76Å; I356-Y393 HydrophobicContact CD1-CD1 3.32Å; I356-Y393 HydrophobicContact CD1-CD2 3.98Å; I356-Y393 HydrophobicContact CD1-CE1 3.57Å; I356-Y393 HydrophobicContact CD1-CE2 4.22Å; I356-Y393 HydrophobicContact CD1-CG 3.52Å; I356-Y393 HydrophobicContact CG1-CD1 4.4Å; I356-Y393 HydrophobicContact CG1-CE1 4.46Å; I356-F429 HydrophobicContact CD1-CB 3.44Å; I356-F429 VanDerWaalsContact CD1-CB 3.44Å; I356-F429 HydrophobicContact CD1-CD1 4.14Å; I356-F429 HydrophobicContact CD1-CD2 3.86Å; I356-F429 HydrophobicContact CD1-CG 3.56Å; I356-F429 HydrophobicContact CG1-CB 3.43Å; I356-F429 VanDerWaalsContact CG1-CB 3.43Å; I356-F429 HydrophobicContact CG1-CD2 3.63Å; I356-F429 HydrophobicContact CG1-CG 3.71Å |
| 357 | D | 74.3 | Confident | 75.1 | Confident | 109 Ų | 109 | 80 Ų | 80 | 58% | 0.583 | 43% | 0.434 | S | S | * | . | trans | -68.1 | 149.7 | 165.1 | -76.1 | -33 | 0 | 0 | 0 | 110.2 | H355 P359 | H355-D357 IonicContact CD2-OD1 3.74Å; H355-D357 PolarHBondContact CD2-OD1 3.19Å; H355-D357 VanDerWaalsContact CD2-OD1 3.28Å; H355-D357 IonicContact NE2-OD1 2.96Å; H355-D357 PolarHBondContact NE2-OD1 3.34Å; H355-D357 IonicContact NE2-OD2 2.69Å; D357-P359 VanDerWaalsContact O-N 3.12Å | ||
| 358 | Q | 65.7 | Low | 75.3 | Confident | 116 Ų | 116 | 77.1 Ų | 77.1 | 54% | 0.542 | 42% | 0.416 | S | S | . | . | trans | -40.6 | 120.1 | -175.4 | -171.9 | 176.1 | 20 | 0 | 0 | 111.3 | R360 | Q358-R360 PolarHBondContact O-N 3.03Š| ||
| 359 | P | 55.5 | Low | 75.3 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 47% | 0.468 | 42% | 0.415 | S | S | . | . | trans | -56.7 | 129.7 | 173.6 | 21 | -28.9 | 0 | 0 | 0 | 107.8 | D357 | D357-P359 VanDerWaalsContact O-N 3.12Š| ||
| 360 | R | 51.5 | Low | 75.4 | Confident | 232 Ų | 232 | 76.2 Ų | 76.2 | 88% | 0.875 | 41% | 0.407 | S | S | * | . | trans | -39.8 | 143.2 | -170.9 | -73.2 | -177.8 | -163.1 | 152.6 | 5.5 | 112.1 | Q358 A362 | Q358-R360 PolarHBondContact O-N 3.03Å; R360-A362 VanDerWaalsContact C-N 3.27Å; R360-A362 PolarHBondContact O-N 3.2Å | ||
| 361 | P | 43.5 | Very low | 75.4 | Confident | 105 Ų | 105 | 76 Ų | 76 | 68% | 0.682 | 41% | 0.409 | S | S | * | . | trans | -71.7 | 77 | -169.2 | 31.2 | -36.1 | 0 | 0 | 0 | 111.5 | ||||
| 362 | A | 46.1 | Very low | 75.6 | Confident | 101 Ų | 101 | 72 Ų | 72 | 84% | 0.835 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -82.7 | -19.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R360 | R360-A362 VanDerWaalsContact C-N 3.27Å; R360-A362 PolarHBondContact O-N 3.2Å |
| 363 | A | 49.9 | Very low | 75.6 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 45% | 0.446 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -141.7 | 111.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S365 | A363-S365 PolarHBondContact O-N 3.26Š|
| 364 | K | 52.6 | Low | 75.5 | Confident | 218 Ų | 218 | 70.3 Ų | 70.3 | 95% | 0.948 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 10.4 | -179.8 | -83.1 | 179.1 | 173.7 | 176 | 0 | 115.1 | ||
| 365 | S | 60.2 | Low | 75.1 | Confident | 77 Ų | 77 | 71.8 Ų | 71.8 | 54% | 0.538 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.6 | 9.6 | -173.2 | 79.1 | 0 | 0 | 0 | 0 | 116.7 | A363 K367 | A363-S365 PolarHBondContact O-N 3.26Å; S365-K367 PolarHBondContact O-N 3.18Å |
| 366 | S | 71.6 | Confident | 74.5 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 31% | 0.308 | 37% | 0.374 | S | S | . | . | trans | -82.8 | 118.5 | 178.3 | -168.2 | 0 | 0 | 0 | 0 | 110.5 | N387 | S366-N387 PolarHBondContact OG-OD1 3.3Å; S366-N387 VanDerWaalsContact OG-OD1 3.1Å | ||
| 367 | K | 85 | Confident | 74.5 | Confident | 108 Ų | 108 | 68 Ų | 68 | 47% | 0.47 | 37% | 0.374 | S | S | . | . | trans | -107.4 | 155.9 | 172.3 | -68.6 | -171.1 | 173.9 | -160.6 | 0 | 110 | E324 S365 C369 G385 T386 | E324-K367 HydrophobicContact CB-CD 4.48Å; E324-K367 WeakPolarHBondContact O-CA 3.39Å; E324-K367 WeakPolarHBondContact O-CB 3.39Å; E324-K367 IonicContact OE2-NZ 3.75Å; E324-K367 PolarHBondContact OE2-NZ 3.31Å; S365-K367 PolarHBondContact O-N 3.18Å; K367-C369 PolarHBondContact O-N 3.24Å; K367-G385 CarbonylContact O-C 3.45Å; K367-G385 VanDerWaalsContact O-CA 3.26Å; K367-G385 WeakPolarHBondContact O-CA 3.48Å; K367-T386 HydrophobicContact CB-CG2 4Å; K367-T386 PolarHBondContact N-OG1 3.37Å; K367-T386 PolarHBondContact O-N 2.92Å | ||
| 368 | V | 89.2 | Confident | 75.3 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 10% | 0.097 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 117.8 | 167.7 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | A308 F322 Q323 E324 V383 | A308-V368 HydrophobicContact CB-CB 4.18Å; A308-V368 HydrophobicContact CB-CG1 4.14Å; F322-V368 HydrophobicContact CB-CG1 4.49Å; Q323-V368 WeakPolarHBondContact O-CG2 3.26Å; E324-V368 PolarHBondContact O-N 2.79Å; V368-V383 HydrophobicContact CB-CG1 4.42Å; V368-V383 HydrophobicContact CG1-CG1 4Å; V368-V383 HydrophobicContact CG2-CG1 3.89Å |
| 369 | C | 90.1 | Very high | 76.6 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 8% | 0.081 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -45.6 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | L9 S14 K367 V384 T386 | L9-C369 HydrophobicContact CD1-CB 4.08Å; S14-C369 WeakPolarHBondContact CA-O 3.49Å; K367-C369 PolarHBondContact O-N 3.24Å; C369-V384 WeakPolarHBondContact CB-O 3.49Å; C369-V384 PolarHBondContact N-O 2.68Å; C369-T386 HydrophobicContact CB-CG2 4.09Å |
| 370 | C | 93 | Very high | 78.5 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 157.4 | 177.9 | 48.8 | 0 | 0 | 0 | 0 | 111.2 | L17 V384 | L17-C370 HydrophobicContact CB-CB 3.67Å; L17-C370 VanDerWaalsContact CB-SG 3.52Å; L17-C370 HydrophobicContact CD2-CB 4.34Å; C370-V384 PolarHBondContact N-O 3.1Å; C370-V384 PolarHBondContact O-N 2.95Å |
| 371 | A | 95.5 | Very high | 80.6 | Confident | 11 Ų | 11 | 44 Ų | 44 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 154.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T309 F322 V382 V383 | T309-A371 HydrophobicContact CG2-CB 3.98Å; F322-A371 HydrophobicContact CD1-CB 3.58Å; F322-A371 HydrophobicContact CD2-CB 3.87Å; F322-A371 HydrophobicContact CE1-CB 3.63Å; F322-A371 HydrophobicContact CE2-CB 3.92Å; F322-A371 HydrophobicContact CG-CB 3.71Å; F322-A371 HydrophobicContact CZ-CB 3.8Å; A371-V382 CarbonylContact C-O 3.51Å; A371-V382 VanDerWaalsContact CA-O 3.23Å; A371-V382 WeakPolarHBondContact CA-O 2.98Å; A371-V383 HydrophobicContact CB-CG2 4.18Å |
| 372 | S | 96.4 | Very high | 83.1 | Confident | 16 Ų | 16 | 39 Ų | 39 | 11% | 0.112 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 150.6 | 175.8 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | W19 V381 V382 | W19-S372 VanDerWaalsContact CB-OG 3.29Å; W19-S372 WeakPolarHBondContact CB-OG 3.39Å; W19-S372 PolarHBondContact N-OG 3.2Å; W19-S372 VanDerWaalsContact N-OG 3.08Å; S372-V381 WeakPolarHBondContact O-CA 3.45Å; S372-V382 PolarHBondContact N-O 3.36Å; S372-V382 PolarHBondContact O-N 3.42Å |
| 373 | V | 95.7 | Very high | 85.4 | Confident | 21 Ų | 21 | 35 Ų | 35 | 13% | 0.127 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 146.5 | 172.3 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | L311 Y320 P375 E378 V381 | L311-V373 HydrophobicContact CB-CG2 3.73Å; L311-V373 HydrophobicContact CD1-CG2 3.8Å; L311-V373 HydrophobicContact CG-CG2 4.43Å; Y320-V373 HydrophobicContact CD2-CG1 4.16Å; Y320-V373 HydrophobicContact CD2-CG2 3.47Å; Y320-V373 VanDerWaalsContact CD2-CG2 3.47Å; Y320-V373 HydrophobicContact CE2-CG1 3.84Å; Y320-V373 HydrophobicContact CE2-CG2 4.02Å; Y320-V373 HydrophobicContact CG-CG2 4.17Å; V373-P375 WeakPolarHBondContact O-CD 3.42Å; V373-E378 HydrophobicContact CG1-CB 4.15Å; V373-E378 HydrophobicContact CG1-CG 4.43Å; V373-V381 HydrophobicContact CG2-CG1 4.07Å |
| 374 | E | 93.4 | Very high | 87.4 | Confident | 34 Ų | 34 | 32.4 Ų | 32.4 | 16% | 0.159 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 122.6 | 172.2 | -173.5 | 170.8 | -147.5 | 0 | 0 | 110.1 | W19 T377 E378 S380 | W19-E374 HydrophobicContact CD2-CB 4.24Å; W19-E374 HydrophobicContact CE3-CB 3.99Å; W19-E374 HydrophobicContact CH2-CB 3.59Å; W19-E374 HydrophobicContact CH2-CG 3.86Å; W19-E374 HydrophobicContact CZ2-CB 3.87Å; W19-E374 HydrophobicContact CZ2-CG 3.64Å; W19-E374 HydrophobicContact CZ3-CB 3.65Å; W19-E374 HydrophobicContact CZ3-CG 4.37Å; E374-T377 WeakPolarHBondContact CG-OG1 3.44Å; E374-T377 PolarHBondContact OE2-OG1 2.98Å; E374-E378 WeakPolarHBondContact O-CA 3.38Å; E374-E378 PolarHBondContact O-N 3.23Å; E374-S380 WeakPolarHBondContact CB-O 3.3Å; E374-S380 PolarHBondContact N-O 3.34Å; E374-S380 WeakPolarHBondContact OE2-CB 3.39Å; E374-S380 PolarHBondContact OE2-OG 3.26Å |
| 375 | P | 85.6 | Confident | 89.2 | Confident | 37 Ų | 37 | 22.3 Ų | 22.3 | 24% | 0.24 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 148.1 | 173.4 | -25.2 | 37.5 | 0 | 0 | 0 | 111.1 | W19 V373 T377 | W19-P375 HydrophobicContact CB-CG 4.42Å; W19-P375 HydrophobicContact CG-CG 4.44Å; W19-P375 WeakPolarHBondContact O-CG 3.12Å; V373-P375 WeakPolarHBondContact O-CD 3.42Å; P375-T377 VanDerWaalsContact C-N 3.25Å; P375-T377 PolarHBondContact O-N 2.82Å |
| 376 | H | 81.1 | Confident | 90.5 | Very high | 21 Ų | 21 | 19.4 Ų | 19.4 | 10% | 0.097 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -51.3 | 168.4 | -46.3 | 39.2 | 0 | 0 | 0 | 115.2 | W21 G886 D888 | W21-H376 VanDerWaalsContact CB-CE1 3.48Å; W21-H376 WeakPolarHBondContact CB-CE1 3.15Å; H376-G886 WeakPolarHBondContact NE2-CA 3.39Å; H376-G886 PolarHBondContact NE2-O 2.7Å; H376-D888 PolarHBondContact NE2-N 3.02Å |
| 377 | T | 88.2 | Confident | 90.9 | Very high | 18 Ų | 18 | 18.8 Ų | 18.8 | 11% | 0.11 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -35.9 | 178.1 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | E374 P375 S379 R408 L409 | E374-T377 WeakPolarHBondContact CG-OG1 3.44Å; E374-T377 PolarHBondContact OE2-OG1 2.98Å; P375-T377 VanDerWaalsContact C-N 3.25Å; P375-T377 PolarHBondContact O-N 2.82Å; T377-S379 WeakPolarHBondContact CB-OG 3.34Å; T377-S379 PolarHBondContact O-N 3.38Å; T377-S379 PolarHBondContact OG1-OG 2.95Å; T377-R408 HydrophobicContact CG2-CG 4.23Å; T377-R408 CarbonylContact O-C 3.07Å; T377-R408 WeakPolarHBondContact O-CA 3.29Å; T377-L409 PolarHBondContact O-N 3.25Å |
| 378 | E | 92.7 | Very high | 90.8 | Very high | 15 Ų | 15 | 13.9 Ų | 13.9 | 7% | 0.07 | 9% | 0.085 | C | C | . | . | trans | 53.7 | 18 | -173.3 | -52.9 | -176 | 133.2 | 0 | 0 | 113.9 | C313 R314 S315 Y320 V373 E374 L409 | C313-E378 WeakPolarHBondContact CA-OE1 3.44Å; R314-E378 WeakPolarHBondContact CG-OE1 3.38Å; R314-E378 PolarHBondContact N-OE1 3Å; R314-E378 PolarHBondContact N-OE2 2.89Å; S315-E378 WeakPolarHBondContact CB-OE2 3.44Å; S315-E378 PolarHBondContact N-OE2 3.09Å; S315-E378 PolarHBondContact OG-OE2 3.03Å; Y320-E378 PolarHBondContact OH-O 3.22Å; V373-E378 HydrophobicContact CG1-CB 4.15Å; V373-E378 HydrophobicContact CG1-CG 4.43Å; E374-E378 WeakPolarHBondContact O-CA 3.38Å; E374-E378 PolarHBondContact O-N 3.23Å; E378-L409 HydrophobicContact CB-CB 3.88Å; E378-L409 HydrophobicContact CB-CD2 3.95Å | ||
| 379 | S | 92.6 | Very high | 90.7 | Very high | 8 Ų | 8 | 18 Ų | 18 | 6% | 0.056 | 10% | 0.098 | C | C | . | . | trans | -94.3 | -16.3 | -178.4 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | T377 L395 L407 | T377-S379 WeakPolarHBondContact CB-OG 3.34Å; T377-S379 PolarHBondContact O-N 3.38Å; T377-S379 PolarHBondContact OG1-OG 2.95Å; S379-L395 WeakPolarHBondContact O-CB 3.48Å; S379-L395 WeakPolarHBondContact O-CG 3.34Å; S379-L395 PolarHBondContact O-N 2.93Å; S379-L407 VanDerWaalsContact CB-O 3.3Å; S379-L407 WeakPolarHBondContact CB-O 3.46Å; S379-L407 PolarHBondContact OG-O 3.1Å | ||
| 380 | S | 94.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155.7 | 176.1 | -41.6 | 0 | 0 | 0 | 0 | 112.4 | E374 Y393 | E374-S380 WeakPolarHBondContact CB-O 3.3Å; E374-S380 PolarHBondContact N-O 3.34Å; E374-S380 WeakPolarHBondContact OE2-CB 3.39Å; E374-S380 PolarHBondContact OE2-OG 3.26Å; S380-Y393 CarbonylContact C-O 3.59Å; S380-Y393 WeakPolarHBondContact CA-O 3.36Å; S380-Y393 WeakPolarHBondContact CB-O 3.46Å |
| 381 | V | 96.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 149.1 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | Y320 F322 I328 S372 V373 R392 Y393 F429 | Y320-V381 HydrophobicContact CD1-CG1 3.61Å; Y320-V381 HydrophobicContact CD2-CG1 3.97Å; Y320-V381 HydrophobicContact CE1-CG1 3.59Å; Y320-V381 HydrophobicContact CE2-CG1 3.93Å; Y320-V381 HydrophobicContact CG-CG1 3.78Å; F322-V381 HydrophobicContact CE1-CB 4.39Å; F322-V381 HydrophobicContact CE1-CG2 4.38Å; F322-V381 HydrophobicContact CZ-CB 4.07Å; F322-V381 HydrophobicContact CZ-CG1 4.2Å; F322-V381 HydrophobicContact CZ-CG2 4.46Å; I328-V381 HydrophobicContact CG2-CG2 4.33Å; S372-V381 WeakPolarHBondContact O-CA 3.45Å; V373-V381 HydrophobicContact CG2-CG1 4.07Å; V381-R392 WeakPolarHBondContact O-CA 3.26Å; V381-Y393 HydrophobicContact CG2-CD2 4.5Å; V381-Y393 PolarHBondContact N-O 2.96Å; V381-Y393 PolarHBondContact O-N 3.46Å; V381-F429 HydrophobicContact CG2-CE1 4.22Å |
| 382 | V | 95.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 138.7 | 174.6 | 164.7 | 0 | 0 | 0 | 0 | 109.7 | L17 W19 L25 A371 S372 I390 S391 R392 | L17-V382 HydrophobicContact CD2-CG1 4.45Å; W19-V382 HydrophobicContact CE3-CB 4.03Å; W19-V382 HydrophobicContact CE3-CG2 3.71Å; W19-V382 HydrophobicContact CH2-CG2 3.98Å; W19-V382 HydrophobicContact CZ3-CB 4.08Å; W19-V382 HydrophobicContact CZ3-CG2 3.39Å; L25-V382 HydrophobicContact CD1-CB 4.4Å; L25-V382 HydrophobicContact CD1-CG1 3.93Å; L25-V382 HydrophobicContact CD1-CG2 3.88Å; L25-V382 HydrophobicContact CD2-CB 3.93Å; L25-V382 HydrophobicContact CD2-CG1 3.91Å; L25-V382 HydrophobicContact CD2-CG2 3.93Å; A371-V382 CarbonylContact C-O 3.51Å; A371-V382 VanDerWaalsContact CA-O 3.23Å; A371-V382 WeakPolarHBondContact CA-O 2.98Å; S372-V382 PolarHBondContact N-O 3.36Å; S372-V382 PolarHBondContact O-N 3.42Å; V382-I390 HydrophobicContact CG1-CG2 3.73Å; V382-S391 WeakPolarHBondContact CA-O 3.38Å; V382-R392 HydrophobicContact CG2-CB 3.78Å; V382-R392 HydrophobicContact CG2-CG 3.86Å |
| 383 | V | 94 | Very high | 90.7 | Very high | 15 Ų | 15 | 18.6 Ų | 18.6 | 9% | 0.091 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134.2 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 109.7 | F322 I328 V368 A371 I390 S391 | F322-V383 HydrophobicContact CD1-CG2 3.62Å; F322-V383 HydrophobicContact CE1-CG2 3.46Å; F322-V383 VanDerWaalsContact CE1-CG2 3.46Å; I328-V383 HydrophobicContact CD1-CG2 3.5Å; I328-V383 VanDerWaalsContact CD1-CG2 3.5Å; I328-V383 HydrophobicContact CG1-CG2 4.29Å; V368-V383 HydrophobicContact CB-CG1 4.42Å; V368-V383 HydrophobicContact CG1-CG1 4Å; V368-V383 HydrophobicContact CG2-CG1 3.89Å; A371-V383 HydrophobicContact CB-CG2 4.18Å; V383-I390 CarbonylContact O-C 3.5Å; V383-I390 WeakPolarHBondContact O-CA 3.46Å; V383-S391 PolarHBondContact N-O 3.1Å; V383-S391 PolarHBondContact O-N 3.28Å |
| 384 | V | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.8 | 171.2 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | L9 L17 F27 C369 C370 R389 I390 | L9-V384 HydrophobicContact CD1-CG1 3.47Å; L9-V384 VanDerWaalsContact CD1-CG1 3.47Å; L17-V384 HydrophobicContact CD1-CG2 4.29Å; L17-V384 HydrophobicContact CD2-CG2 3.99Å; F27-V384 HydrophobicContact CD1-CG2 4.41Å; F27-V384 HydrophobicContact CD2-CG1 4.39Å; F27-V384 HydrophobicContact CE2-CG1 4.24Å; C369-V384 WeakPolarHBondContact CB-O 3.49Å; C369-V384 PolarHBondContact N-O 2.68Å; C370-V384 PolarHBondContact N-O 3.1Å; C370-V384 PolarHBondContact O-N 2.95Å; V384-R389 CarbonylContact C-O 3.3Å; V384-R389 WeakPolarHBondContact CA-O 3.48Å; V384-I390 HydrophobicContact CG1-CG1 4.43Å; V384-I390 HydrophobicContact CG2-CG1 4.25Å; V384-I390 HydrophobicContact CG2-CG2 4.11Å |
| 385 | G | 89.7 | Confident | 90.6 | Very high | 7 Ų | 7 | 16.8 Ų | 16.8 | 7% | 0.072 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 159.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K367 N387 G388 R389 | K367-G385 CarbonylContact O-C 3.45Å; K367-G385 VanDerWaalsContact O-CA 3.26Å; K367-G385 WeakPolarHBondContact O-CA 3.48Å; G385-N387 PolarHBondContact O-N 3.08Å; G385-N387 VanDerWaalsContact O-N 3.12Å; G385-G388 PolarHBondContact O-N 2.95Å; G385-R389 PolarHBondContact N-O 2.93Å |
| 386 | T | 87.9 | Confident | 90.8 | Very high | 15 Ų | 15 | 18 Ų | 18 | 9% | 0.092 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.3 | 173 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | F8 L9 K367 C369 G388 | F8-T386 CarbonylContact C-O 3.52Å; F8-T386 WeakPolarHBondContact CA-O 3.48Å; F8-T386 VanDerWaalsContact CD1-O 3.28Å; F8-T386 WeakPolarHBondContact CD1-O 3.37Å; L9-T386 PolarHBondContact N-O 2.86Å; K367-T386 HydrophobicContact CB-CG2 4Å; K367-T386 PolarHBondContact N-OG1 3.37Å; K367-T386 PolarHBondContact O-N 2.92Å; C369-T386 HydrophobicContact CB-CG2 4.09Å; T386-G388 VanDerWaalsContact C-N 3.26Å; T386-G388 PolarHBondContact O-N 2.81Å |
| 387 | N | 80.7 | Confident | 91.2 | Very high | 32 Ų | 32 | 18.7 Ų | 18.7 | 17% | 0.171 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 7.5 | 173.1 | 66.8 | -15.5 | 0 | 0 | 0 | 114.1 | F8 S366 G385 R389 | F8-N387 HydrophobicContact CD1-CB 4.49Å; F8-N387 HydrophobicContact CD2-CB 4.21Å; F8-N387 HydrophobicContact CE1-CB 3.91Å; F8-N387 HydrophobicContact CE2-CB 3.57Å; F8-N387 HydrophobicContact CZ-CB 3.43Å; F8-N387 VanDerWaalsContact CZ-CB 3.43Å; S366-N387 PolarHBondContact OG-OD1 3.3Å; S366-N387 VanDerWaalsContact OG-OD1 3.1Å; G385-N387 PolarHBondContact O-N 3.08Å; G385-N387 VanDerWaalsContact O-N 3.12Å; N387-R389 PolarHBondContact O-N 3.2Å; N387-R389 VanDerWaalsContact OD1-CB 3.31Å; N387-R389 WeakPolarHBondContact OD1-CB 3.44Å; N387-R389 PolarHBondContact OD1-N 3.41Å |
| 388 | G | 82.9 | Confident | 90.9 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 77 | 1.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | G7 G385 T386 G437 | G7-G388 WeakPolarHBondContact O-CA 3.37Å; G385-G388 PolarHBondContact O-N 2.95Å; T386-G388 VanDerWaalsContact C-N 3.26Å; T386-G388 PolarHBondContact O-N 2.81Å; G388-G437 PolarHBondContact O-N 3Å |
| 389 | R | 87.2 | Confident | 89.8 | Confident | 102 Ų | 102 | 30.4 Ų | 30.4 | 39% | 0.385 | 15% | 0.147 | S | C | . | . | trans | -73.4 | 130.8 | 175.7 | -174.1 | 179.7 | 176.3 | 140.9 | 1.3 | 110.3 | V384 G385 N387 A435 | V384-R389 CarbonylContact C-O 3.3Å; V384-R389 WeakPolarHBondContact CA-O 3.48Å; G385-R389 PolarHBondContact N-O 2.93Å; N387-R389 PolarHBondContact O-N 3.2Å; N387-R389 VanDerWaalsContact OD1-CB 3.31Å; N387-R389 WeakPolarHBondContact OD1-CB 3.44Å; N387-R389 PolarHBondContact OD1-N 3.41Å; R389-A435 CarbonylContact C-O 3.58Å; R389-A435 WeakPolarHBondContact CA-O 3.43Å | ||
| 390 | I | 91.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 131.3 | 176.8 | -43.9 | 177.8 | 0 | 0 | 0 | 107.6 | F27 Y36 M41 V382 V383 V384 T434 A435 | F27-I390 HydrophobicContact CE1-CD1 3.5Å; F27-I390 VanDerWaalsContact CE1-CD1 3.5Å; F27-I390 HydrophobicContact CE1-CG1 4.35Å; F27-I390 HydrophobicContact CZ-CD1 3.83Å; F27-I390 HydrophobicContact CZ-CG1 4.42Å; Y36-I390 HydrophobicContact CD1-CD1 4.06Å; Y36-I390 HydrophobicContact CD2-CD1 3.43Å; Y36-I390 VanDerWaalsContact CD2-CD1 3.43Å; Y36-I390 HydrophobicContact CE1-CD1 4.01Å; Y36-I390 HydrophobicContact CE2-CD1 3.33Å; Y36-I390 HydrophobicContact CG-CD1 3.8Å; M41-I390 HydrophobicContact CE-CB 3.73Å; M41-I390 HydrophobicContact CE-CG2 3.52Å; M41-I390 WeakPolarHBondContact CE-O 3.43Å; V382-I390 HydrophobicContact CG1-CG2 3.73Å; V383-I390 CarbonylContact O-C 3.5Å; V383-I390 WeakPolarHBondContact O-CA 3.46Å; V384-I390 HydrophobicContact CG1-CG1 4.43Å; V384-I390 HydrophobicContact CG2-CG1 4.25Å; V384-I390 HydrophobicContact CG2-CG2 4.11Å; I390-T434 CarbonylContact O-C 3.54Å; I390-T434 VanDerWaalsContact O-CA 3.22Å; I390-T434 WeakPolarHBondContact O-CA 3.18Å; I390-A435 HydrophobicContact CB-CB 4.3Å; I390-A435 HydrophobicContact CD1-CB 4.44Å; I390-A435 PolarHBondContact N-O 3.32Å; I390-A435 PolarHBondContact O-N 3.29Å |
| 391 | S | 92.7 | Very high | 86.5 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127 | 178.6 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | V382 V383 | V382-S391 WeakPolarHBondContact CA-O 3.38Å; V383-S391 PolarHBondContact N-O 3.1Å; V383-S391 PolarHBondContact O-N 3.28Å |
| 392 | R | 94.9 | Very high | 84.3 | Confident | 19 Ų | 19 | 48 Ų | 48 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.2 | 175.9 | -178.7 | 169.2 | 173.7 | -101.4 | -12.2 | 109.3 | W19 A38 M41 V381 V382 E432 G433 | W19-R392 HydrophobicContact CH2-CG 4.24Å; A38-R392 WeakPolarHBondContact O-CD 3.45Å; M41-R392 HydrophobicContact CE-CB 4.48Å; M41-R392 HydrophobicContact SD-CB 3.91Å; V381-R392 WeakPolarHBondContact O-CA 3.26Å; V382-R392 HydrophobicContact CG2-CB 3.78Å; V382-R392 HydrophobicContact CG2-CG 3.86Å; R392-E432 IonicContact CZ-OE2 3.09Å; R392-E432 IonicContact NH1-OE2 2.7Å; R392-E432 PolarHBondContact NH1-OE2 2.78Å; R392-E432 IonicContact NH2-OE2 2.64Å; R392-E432 PolarHBondContact NH2-OE2 3.41Å; R392-E432 PolarHBondContact O-N 3.32Å; R392-G433 PolarHBondContact N-O 3.08Å; R392-G433 PolarHBondContact O-N 2.68Å |
| 393 | Y | 94.4 | Very high | 82.1 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 142.7 | 176.6 | -60 | -86.5 | 0 | 0 | 0 | 109.9 | I328 I356 S380 V381 S430 L431 | I328-Y393 HydrophobicContact CD1-CD2 3.72Å; I328-Y393 HydrophobicContact CD1-CE2 3.67Å; I356-Y393 HydrophobicContact CD1-CD1 3.32Å; I356-Y393 HydrophobicContact CD1-CD2 3.98Å; I356-Y393 HydrophobicContact CD1-CE1 3.57Å; I356-Y393 HydrophobicContact CD1-CE2 4.22Å; I356-Y393 HydrophobicContact CD1-CG 3.52Å; I356-Y393 HydrophobicContact CG1-CD1 4.4Å; I356-Y393 HydrophobicContact CG1-CE1 4.46Å; S380-Y393 CarbonylContact C-O 3.59Å; S380-Y393 WeakPolarHBondContact CA-O 3.36Å; S380-Y393 WeakPolarHBondContact CB-O 3.46Å; V381-Y393 HydrophobicContact CG2-CD2 4.5Å; V381-Y393 PolarHBondContact N-O 2.96Å; V381-Y393 PolarHBondContact O-N 3.46Å; Y393-S430 CarbonylContact C-O 3.57Å; Y393-S430 WeakPolarHBondContact CA-O 3.26Å; Y393-L431 HydrophobicContact CD1-CB 4.03Å; Y393-L431 HydrophobicContact CD1-CD1 3.84Å; Y393-L431 HydrophobicContact CE1-CB 3.93Å; Y393-L431 HydrophobicContact CE1-CD1 3.47Å; Y393-L431 VanDerWaalsContact CE1-CD1 3.47Å; Y393-L431 HydrophobicContact CE1-CG 4.25Å; Y393-L431 HydrophobicContact CE2-CD1 4.31Å; Y393-L431 HydrophobicContact CG-CD1 4.44Å |
| 394 | S | 93.2 | Very high | 80 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.4 | 179 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | F429 S430 E432 | S394-F429 WeakPolarHBondContact O-CA 3.47Å; S394-S430 PolarHBondContact N-O 3.27Å; S394-S430 PolarHBondContact O-N 3.05Å; S394-E432 WeakPolarHBondContact CB-OE1 3.34Å; S394-E432 PolarHBondContact OG-OE1 3.43Å; S394-E432 VanDerWaalsContact OG-OE1 3.05Å |
| 395 | L | 93.2 | Very high | 78.5 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.3 | 173.9 | -68.8 | 177.7 | 0 | 0 | 0 | 110.4 | Y320 L330 S379 L409 F412 F429 | Y320-L395 WeakPolarHBondContact OH-CD1 3.47Å; L330-L395 HydrophobicContact CD2-CD1 3.85Å; L330-L395 HydrophobicContact CD2-CD2 4.13Å; S379-L395 WeakPolarHBondContact O-CB 3.48Å; S379-L395 WeakPolarHBondContact O-CG 3.34Å; S379-L395 PolarHBondContact O-N 2.93Å; L395-L409 HydrophobicContact CD1-CD1 4.02Å; L395-F412 HydrophobicContact CB-CD2 4.24Å; L395-F412 HydrophobicContact CB-CE2 3.9Å; L395-F412 HydrophobicContact CB-CZ 4.09Å; L395-F412 HydrophobicContact CD1-CD2 4.21Å; L395-F412 WeakPolarHBondContact O-CZ 3.11Å; L395-F429 HydrophobicContact CD2-CD1 3.92Å; L395-F429 HydrophobicContact CD2-CE1 3.64Å; L395-F429 HydrophobicContact CD2-CZ 4.03Å; L395-F429 HydrophobicContact CG-CE1 4.39Å |
| 396 | Q | 90.5 | Very high | 77.7 | Confident | 61 Ų | 61 | 65 Ų | 65 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 151.4 | 173.5 | -64.3 | -176.2 | -9.4 | 0 | 0 | 109.9 | L427 R428 | Q396-L427 WeakPolarHBondContact O-CA 3.48Å; Q396-R428 PolarHBondContact N-O 2.82Å; Q396-R428 PolarHBondContact O-N 2.88Å |
| 397 | Y | 88.5 | Confident | 77.4 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 14% | 0.141 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 141 | 165.6 | -68.6 | -61.6 | 0 | 0 | 0 | 109.8 | M399 L407 D411 F412 P424 L425 L427 | Y397-M399 VanDerWaalsContact C-N 3.29Å; Y397-M399 PolarHBondContact O-N 3.43Å; Y397-L407 HydrophobicContact CD2-CD1 4.23Å; Y397-L407 HydrophobicContact CE2-CD1 3.94Å; Y397-D411 PolarHBondContact OH-O 2.86Å; Y397-F412 HydrophobicContact CD1-CD1 4.25Å; Y397-F412 HydrophobicContact CD1-CE1 4.44Å; Y397-F412 HydrophobicContact CD2-CD1 4.3Å; Y397-F412 AromaticContact CD2-CE1 3.9Å; Y397-F412 HydrophobicContact CD2-CE1 3.9Å; Y397-F412 AromaticContact CE1-CD1 3.73Å; Y397-F412 HydrophobicContact CE1-CD1 3.73Å; Y397-F412 HydrophobicContact CE1-CE1 4.27Å; Y397-F412 AromaticContact CE2-CD1 3.77Å; Y397-F412 HydrophobicContact CE2-CD1 3.77Å; Y397-F412 AromaticContact CE2-CE1 3.7Å; Y397-F412 HydrophobicContact CE2-CE1 3.7Å; Y397-F412 HydrophobicContact CG-CE1 4.28Å; Y397-F412 AromaticContact CZ-CD1 3.48Å; Y397-F412 VanDerWaalsContact CZ-CD1 3.48Å; Y397-F412 AromaticContact CZ-CE1 3.91Å; Y397-P424 HydrophobicContact CE1-CG 4.48Å; Y397-L425 HydrophobicContact CD1-CB 3.43Å; Y397-L425 VanDerWaalsContact CD1-CB 3.43Å; Y397-L425 HydrophobicContact CD1-CD1 3.93Å; Y397-L425 HydrophobicContact CD1-CG 4.31Å; Y397-L425 HydrophobicContact CE1-CB 3.67Å; Y397-L425 HydrophobicContact CE1-CD1 4.13Å; Y397-L425 HydrophobicContact CE1-CG 4.4Å; Y397-L425 HydrophobicContact CG-CB 4.34Å; Y397-L425 HydrophobicContact CG-CD1 4.15Å; Y397-L427 HydrophobicContact CD1-CD2 3.53Å; Y397-L427 HydrophobicContact CE1-CD2 3.61Å; Y397-L427 HydrophobicContact CG-CD2 4.45Å |
| 398 | E | 82.3 | Confident | 77.8 | Confident | 122 Ų | 122 | 66.7 Ų | 66.7 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -69.7 | -28.3 | -177.9 | -168.9 | 169 | -162.3 | 0 | 0 | 112.9 | P426 | E398-P426 HydrophobicContact CB-CB 4.37Å; E398-P426 HydrophobicContact CB-CG 4.12Å; E398-P426 PolarHBondContact N-O 3.47Å; E398-P426 WeakPolarHBondContact OE2-CB 3.44Å |
| 399 | M | 70.6 | Confident | 78.2 | Confident | 157 Ų | 157 | 66.4 Ų | 66.4 | 77% | 0.773 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -108.5 | 1.2 | -171.2 | -58.7 | -129.4 | -38.5 | 0 | 0 | 115.6 | Y397 | Y397-M399 VanDerWaalsContact C-N 3.29Å; Y397-M399 PolarHBondContact O-N 3.43Å |
| 400 | S | 65.6 | Low | 78.3 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 48% | 0.476 | 33% | 0.332 | S | S | . | . | trans | -86.5 | 118.3 | -178.4 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 401 | N | 52.3 | Low | 78.1 | Confident | 168 Ų | 168 | 64.5 Ų | 64.5 | 90% | 0.898 | 34% | 0.341 | S | S | * | . | trans | -90.3 | -2.9 | 170.6 | -82.2 | -13.8 | 0 | 0 | 0 | 113.4 | ||||
| 402 | D | 48.5 | Very low | 78.1 | Confident | 145 Ų | 145 | 64 Ų | 64 | 78% | 0.775 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -103.3 | 152.4 | -169.8 | -74 | -28 | 0 | 0 | 0 | 114.3 | ||
| 403 | E | 50 | Low | 78 | Confident | 153 Ų | 153 | 63.1 Ų | 63.1 | 72% | 0.715 | 33% | 0.334 | S | S | * | . | trans | 2.4 | 140.5 | 173.9 | -75 | -89.3 | 144.6 | 0 | 0 | 119.3 | S405 | E403-S405 VanDerWaalsContact C-N 3.31Å; E403-S405 PolarHBondContact O-N 3.46Å | ||
| 404 | P | 49.7 | Very low | 78 | Confident | 83 Ų | 83 | 63.7 Ų | 63.7 | 54% | 0.539 | 34% | 0.339 | S | S | . | . | trans | -66.7 | 88.2 | 177.8 | 30.5 | -34.5 | 0 | 0 | 0 | 110.7 | ||||
| 405 | S | 62 | Low | 77.9 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | trans | -76.1 | 128.9 | 167.7 | 43.7 | 0 | 0 | 0 | 0 | 108.5 | E403 L407 | E403-S405 VanDerWaalsContact C-N 3.31Å; E403-S405 PolarHBondContact O-N 3.46Å; S405-L407 PolarHBondContact O-N 2.88Å; S405-L407 WeakPolarHBondContact OG-CD1 3.43Å; S405-L407 WeakPolarHBondContact OG-CG 3.34Å | ||
| 406 | L | 72.2 | Confident | 77.9 | Confident | 63 Ų | 63 | 64.7 Ų | 64.7 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | trans | -73.4 | 64.2 | 176.3 | -67.6 | 167.6 | 0 | 0 | 0 | 110 | R864 L880 | L406-R864 HydrophobicContact CD1-CG 4.16Å; L406-R864 HydrophobicContact CD2-CG 4.46Å; L406-L880 HydrophobicContact CB-CD2 3.91Å; L406-L880 HydrophobicContact CD1-CD2 3.82Å | ||
| 407 | L | 82.2 | Confident | 77.8 | Confident | 46 Ų | 46 | 66 Ų | 66 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | trans | -73.7 | 141.5 | -173 | -64.8 | 173.3 | 0 | 0 | 0 | 111.6 | S379 Y397 S405 D411 F412 | S379-L407 VanDerWaalsContact CB-O 3.3Å; S379-L407 WeakPolarHBondContact CB-O 3.46Å; S379-L407 PolarHBondContact OG-O 3.1Å; Y397-L407 HydrophobicContact CD2-CD1 4.23Å; Y397-L407 HydrophobicContact CE2-CD1 3.94Å; S405-L407 PolarHBondContact O-N 2.88Å; S405-L407 WeakPolarHBondContact OG-CD1 3.43Å; S405-L407 WeakPolarHBondContact OG-CG 3.34Å; L407-D411 HydrophobicContact CD2-CB 3.97Å; L407-F412 HydrophobicContact CB-CD2 4.47Å; L407-F412 HydrophobicContact CB-CE1 4.37Å; L407-F412 HydrophobicContact CB-CE2 3.6Å; L407-F412 HydrophobicContact CB-CZ 3.54Å; L407-F412 HydrophobicContact CD1-CE1 3.69Å; L407-F412 HydrophobicContact CD1-CE2 4.42Å; L407-F412 HydrophobicContact CD1-CZ 3.57Å; L407-F412 HydrophobicContact CG-CZ 4.21Å | ||
| 408 | R | 88.4 | Confident | 77.8 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | trans | -104.6 | 163.6 | 175 | -57.9 | 163.3 | -72.2 | -154.6 | -12.1 | 109.6 | T377 V410 D411 F412 E876 L879 R898 | T377-R408 HydrophobicContact CG2-CG 4.23Å; T377-R408 CarbonylContact O-C 3.07Å; T377-R408 WeakPolarHBondContact O-CA 3.29Å; R408-V410 HydrophobicContact CB-CG2 3.95Å; R408-V410 PolarHBondContact O-N 3.44Å; R408-V410 VanDerWaalsContact O-N 3.13Å; R408-D411 WeakPolarHBondContact CB-OD2 3.32Å; R408-D411 IonicContact CZ-OD2 3.8Å; R408-D411 PolarHBondContact N-OD2 2.83Å; R408-D411 IonicContact NE-OD2 3.01Å; R408-D411 PolarHBondContact NE-OD2 3.02Å; R408-D411 VanDerWaalsContact NE-OD2 3.15Å; R408-D411 IonicContact NH2-OD1 2.8Å; R408-D411 IonicContact NH2-OD2 3.67Å; R408-D411 WeakPolarHBondContact O-CA 3.43Å; R408-D411 WeakPolarHBondContact O-CB 3.38Å; R408-D411 PolarHBondContact O-N 3.3Å; R408-F412 VanDerWaalsContact O-CD2 3.26Å; R408-F412 WeakPolarHBondContact O-CD2 3.45Å; R408-F412 PolarHBondContact O-N 2.91Å; R408-E876 IonicContact CZ-OE2 3.32Å; R408-E876 IonicContact NH1-OE2 3.8Å; R408-E876 IonicContact NH2-OE1 3.53Å; R408-E876 IonicContact NH2-OE2 3.28Å; R408-E876 PolarHBondContact NH2-OE2 3.29Å; R408-L879 VanDerWaalsContact NH1-CD1 3.26Å; R408-R898 VanDerWaalsContact NH2-NH1 3.18Å | ||
| 409 | L | 92.3 | Very high | 78.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.9 | -36.3 | 176.6 | -176.8 | 63.9 | 0 | 0 | 0 | 112.9 | C313 R316 L330 T377 E378 L395 D411 F412 V413 | C313-L409 HydrophobicContact CB-CD2 3.56Å; C313-L409 VanDerWaalsContact SG-CD2 3.51Å; R316-L409 HydrophobicContact CB-CD2 4.36Å; L330-L409 HydrophobicContact CD2-CD1 4.31Å; T377-L409 PolarHBondContact O-N 3.25Å; E378-L409 HydrophobicContact CB-CB 3.88Å; E378-L409 HydrophobicContact CB-CD2 3.95Å; L395-L409 HydrophobicContact CD1-CD1 4.02Å; L409-D411 PolarHBondContact O-N 2.91Å; L409-F412 PolarHBondContact O-N 3.49Å; L409-F412 VanDerWaalsContact O-N 3.12Å; L409-V413 HydrophobicContact CD1-CG2 3.85Å; L409-V413 HydrophobicContact CG-CG2 4.48Å; L409-V413 PolarHBondContact O-N 2.95Å |
| 410 | V | 89.4 | Confident | 79.2 | Confident | 28 Ų | 28 | 56.2 Ų | 56.2 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.4 | -22.2 | 177 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | S315 R316 R408 | S315-V410 VanDerWaalsContact CB-CG1 3.46Å; R316-V410 HydrophobicContact CG-CG1 4.24Å; R408-V410 HydrophobicContact CB-CG2 3.95Å; R408-V410 PolarHBondContact O-N 3.44Å; R408-V410 VanDerWaalsContact O-N 3.13Å |
| 411 | D | 88 | Confident | 80.5 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -85.2 | -21.8 | 178.1 | -53.5 | -51.6 | 0 | 0 | 0 | 110.8 | Y397 L407 R408 L409 R898 | Y397-D411 PolarHBondContact OH-O 2.86Å; L407-D411 HydrophobicContact CD2-CB 3.97Å; R408-D411 WeakPolarHBondContact CB-OD2 3.32Å; R408-D411 IonicContact CZ-OD2 3.8Å; R408-D411 PolarHBondContact N-OD2 2.83Å; R408-D411 IonicContact NE-OD2 3.01Å; R408-D411 PolarHBondContact NE-OD2 3.02Å; R408-D411 VanDerWaalsContact NE-OD2 3.15Å; R408-D411 IonicContact NH2-OD1 2.8Å; R408-D411 IonicContact NH2-OD2 3.67Å; R408-D411 WeakPolarHBondContact O-CA 3.43Å; R408-D411 WeakPolarHBondContact O-CB 3.38Å; R408-D411 PolarHBondContact O-N 3.3Å; L409-D411 PolarHBondContact O-N 2.91Å; D411-R898 IonicContact OD1-NH1 2.67Å |
| 412 | F | 91.7 | Very high | 82.4 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 1% | 0.013 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -91.9 | -40.2 | 174.1 | -64.2 | -69 | 0 | 0 | 0 | 113.5 | L395 Y397 L407 R408 L409 P424 L427 | L395-F412 HydrophobicContact CB-CD2 4.24Å; L395-F412 HydrophobicContact CB-CE2 3.9Å; L395-F412 HydrophobicContact CB-CZ 4.09Å; L395-F412 HydrophobicContact CD1-CD2 4.21Å; L395-F412 WeakPolarHBondContact O-CZ 3.11Å; Y397-F412 HydrophobicContact CD1-CD1 4.25Å; Y397-F412 HydrophobicContact CD1-CE1 4.44Å; Y397-F412 HydrophobicContact CD2-CD1 4.3Å; Y397-F412 AromaticContact CD2-CE1 3.9Å; Y397-F412 HydrophobicContact CD2-CE1 3.9Å; Y397-F412 AromaticContact CE1-CD1 3.73Å; Y397-F412 HydrophobicContact CE1-CD1 3.73Å; Y397-F412 HydrophobicContact CE1-CE1 4.27Å; Y397-F412 AromaticContact CE2-CD1 3.77Å; Y397-F412 HydrophobicContact CE2-CD1 3.77Å; Y397-F412 AromaticContact CE2-CE1 3.7Å; Y397-F412 HydrophobicContact CE2-CE1 3.7Å; Y397-F412 HydrophobicContact CG-CE1 4.28Å; Y397-F412 AromaticContact CZ-CD1 3.48Å; Y397-F412 VanDerWaalsContact CZ-CD1 3.48Å; Y397-F412 AromaticContact CZ-CE1 3.91Å; L407-F412 HydrophobicContact CB-CD2 4.47Å; L407-F412 HydrophobicContact CB-CE1 4.37Å; L407-F412 HydrophobicContact CB-CE2 3.6Å; L407-F412 HydrophobicContact CB-CZ 3.54Å; L407-F412 HydrophobicContact CD1-CE1 3.69Å; L407-F412 HydrophobicContact CD1-CE2 4.42Å; L407-F412 HydrophobicContact CD1-CZ 3.57Å; L407-F412 HydrophobicContact CG-CZ 4.21Å; R408-F412 VanDerWaalsContact O-CD2 3.26Å; R408-F412 WeakPolarHBondContact O-CD2 3.45Å; R408-F412 PolarHBondContact O-N 2.91Å; L409-F412 PolarHBondContact O-N 3.49Å; L409-F412 VanDerWaalsContact O-N 3.12Å; F412-P424 VanDerWaalsContact O-CD 3.29Å; F412-P424 WeakPolarHBondContact O-CD 3.26Å; F412-L427 HydrophobicContact CB-CD1 4.1Å; F412-L427 HydrophobicContact CB-CD2 4.3Å; F412-L427 HydrophobicContact CD1-CD2 3.51Å; F412-L427 HydrophobicContact CE1-CD2 4.18Å; F412-L427 HydrophobicContact CG-CD2 4.21Å |
| 413 | V | 94 | Very high | 84.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -111.2 | 99.3 | -177.7 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | R316 I332 L409 Q421 V423 | R316-V413 HydrophobicContact CB-CB 4.49Å; R316-V413 HydrophobicContact CB-CG1 4.25Å; R316-V413 WeakPolarHBondContact CD-O 3.37Å; R316-V413 HydrophobicContact CG-CB 4.13Å; R316-V413 HydrophobicContact CG-CG1 4.2Å; R316-V413 PolarHBondContact NE-O 2.99Å; I332-V413 HydrophobicContact CD1-CG1 4.42Å; I332-V413 HydrophobicContact CG2-CG1 4.29Å; I332-V413 HydrophobicContact CG2-CG2 4.14Å; L409-V413 HydrophobicContact CD1-CG2 3.85Å; L409-V413 HydrophobicContact CG-CG2 4.48Å; L409-V413 PolarHBondContact O-N 2.95Å; V413-Q421 HydrophobicContact CG1-CB 4.07Å; V413-Q421 HydrophobicContact CG1-CG 4.45Å; V413-V423 HydrophobicContact CG2-CG2 4.28Å |
| 414 | L | 92.8 | Very high | 86.5 | Confident | 38 Ų | 38 | 38.5 Ų | 38.5 | 20% | 0.199 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 140.7 | -176.5 | -53.5 | -174.6 | 0 | 0 | 0 | 110 | Q421 T422 P424 P909 | L414-Q421 CarbonylContact O-C 3.55Å; L414-Q421 VanDerWaalsContact O-CA 3.27Å; L414-Q421 WeakPolarHBondContact O-CA 3.42Å; L414-T422 PolarHBondContact N-O 2.93Å; L414-T422 PolarHBondContact O-N 3.38Å; L414-P424 HydrophobicContact CD1-CB 4.33Å; L414-P424 HydrophobicContact CD1-CG 4.03Å; L414-P424 HydrophobicContact CG-CG 4.34Å; L414-P909 HydrophobicContact CB-CB 3.95Å; L414-P909 HydrophobicContact CB-CG 4.3Å; L414-P909 HydrophobicContact CD1-CG 4.21Å; L414-P909 HydrophobicContact CD2-CG 4.01Å; L414-P909 HydrophobicContact CG-CG 4.39Å |
| 415 | L | 92.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 115.9 | 173.1 | -178.5 | 67.7 | 0 | 0 | 0 | 108.4 | M419 Q421 P909 V910 N914 | L415-M419 HydrophobicContact CD1-CE 4.43Å; L415-M419 HydrophobicContact CD2-CE 3.91Å; L415-M419 HydrophobicContact CD2-SD 4.25Å; L415-Q421 HydrophobicContact CD1-CG 4.17Å; L415-P909 WeakPolarHBondContact O-CB 3.02Å; L415-V910 HydrophobicContact CB-CB 4.32Å; L415-V910 HydrophobicContact CD2-CB 4.15Å; L415-V910 HydrophobicContact CD2-CG1 4.13Å; L415-V910 HydrophobicContact CG-CB 4.22Å; L415-V910 WeakPolarHBondContact O-CB 3.35Å; L415-V910 PolarHBondContact O-N 3.14Å; L415-N914 WeakPolarHBondContact CD2-OD1 3.41Å |
| 416 | N | 91.9 | Very high | 89.8 | Confident | 35 Ų | 35 | 37.8 Ų | 37.8 | 19% | 0.187 | 20% | 0.199 | C | C | . | . | trans | -80.6 | 164 | 179 | -56.7 | -19.1 | 0 | 0 | 0 | 110.7 | D418 M419 R420 T422 D908 | N416-D418 VanDerWaalsContact CB-OD1 3.25Å; N416-D418 WeakPolarHBondContact CB-OD1 3.38Å; N416-D418 PolarHBondContact O-N 3.28Å; N416-D418 VanDerWaalsContact O-N 3.16Å; N416-M419 WeakPolarHBondContact O-CA 3.5Å; N416-M419 PolarHBondContact O-N 3.37Å; N416-R420 PolarHBondContact N-O 3.43Å; N416-T422 VanDerWaalsContact ND2-CG2 3.27Å; N416-T422 WeakPolarHBondContact ND2-CG2 3.31Å; N416-T422 PolarHBondContact OD1-OG1 2.89Å; N416-T422 VanDerWaalsContact OD1-OG1 3.13Å; N416-D908 WeakPolarHBondContact CA-OD1 3.2Å | ||
| 417 | R | 89.6 | Confident | 90.8 | Very high | 90 Ų | 90 | 35.4 Ų | 35.4 | 34% | 0.34 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.1 | 174.8 | -75.4 | -169.5 | 143.7 | -178.6 | -11 | 115.5 | M419 D903 G906 D908 V910 L924 | R417-M419 PolarHBondContact O-N 3.08Å; R417-D903 IonicContact CZ-OD1 3.08Å; R417-D903 PolarHBondContact NH2-O 3.45Å; R417-D903 IonicContact NH2-OD1 2.67Å; R417-D903 PolarHBondContact NH2-OD1 2.96Å; R417-G906 PolarHBondContact NH1-O 3.15Å; R417-D908 PolarHBondContact N-OD1 3.22Å; R417-V910 HydrophobicContact CG-CG2 3.93Å; R417-L924 HydrophobicContact CB-CD2 4.25Å; R417-L924 HydrophobicContact CG-CD2 4.36Å; R417-L924 VanDerWaalsContact O-CD2 3.29Å; R417-L924 WeakPolarHBondContact O-CD2 3.44Å |
| 418 | D | 89.1 | Confident | 91.3 | Very high | 58 Ų | 58 | 38.8 Ų | 38.8 | 31% | 0.31 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 10.1 | 170.3 | 77.4 | -22.8 | 0 | 0 | 0 | 113.1 | N416 R420 L931 | N416-D418 VanDerWaalsContact CB-OD1 3.25Å; N416-D418 WeakPolarHBondContact CB-OD1 3.38Å; N416-D418 PolarHBondContact O-N 3.28Å; N416-D418 VanDerWaalsContact O-N 3.16Å; D418-R420 PolarHBondContact O-N 2.95Å; D418-R420 WeakPolarHBondContact OD1-CB 3.27Å; D418-R420 PolarHBondContact OD1-N 3.27Å; D418-R420 VanDerWaalsContact OD1-N 3.14Å; D418-R420 VanDerWaalsContact OD2-CD 3.28Å; D418-R420 WeakPolarHBondContact OD2-CD 3.3Å; D418-R420 WeakPolarHBondContact OD2-CG 3.02Å; D418-R420 IonicContact OD2-CZ 2.71Å; D418-R420 IonicContact OD2-NE 3.02Å; D418-R420 IonicContact OD2-NH1 3.88Å; D418-R420 PolarHBondContact OD2-NH1 3.29Å; D418-L931 WeakPolarHBondContact O-CD1 3.22Å |
| 419 | M | 90.1 | Very high | 91.4 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 60.4 | 19.5 | -177.8 | -58.9 | -60.4 | -64.9 | 0 | 0 | 114.2 | L415 N416 R417 L920 L924 I927 L931 | L415-M419 HydrophobicContact CD1-CE 4.43Å; L415-M419 HydrophobicContact CD2-CE 3.91Å; L415-M419 HydrophobicContact CD2-SD 4.25Å; N416-M419 WeakPolarHBondContact O-CA 3.5Å; N416-M419 PolarHBondContact O-N 3.37Å; R417-M419 PolarHBondContact O-N 3.08Å; M419-L920 HydrophobicContact CE-CD1 3.76Å; M419-L924 HydrophobicContact SD-CB 3.93Å; M419-L924 HydrophobicContact SD-CD2 4.33Å; M419-I927 HydrophobicContact CB-CG2 4.11Å; M419-I927 HydrophobicContact CG-CB 4.08Å; M419-I927 HydrophobicContact CG-CG2 3.79Å; M419-L931 HydrophobicContact CB-CD1 3.84Å |
| 420 | R | 91.1 | Very high | 91.4 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | trans | -96.2 | 151.7 | 171 | -59 | -168.7 | 173.5 | 103.4 | -2.5 | 111.2 | Y335 S337 V338 N416 D418 | Y335-R420 HydrophobicContact CD2-CG 3.84Å; Y335-R420 HydrophobicContact CE2-CG 4.31Å; S337-R420 PolarHBondContact O-NH2 2.89Å; S337-R420 VanDerWaalsContact O-NH2 3.07Å; V338-R420 VanDerWaalsContact C-NH2 3.28Å; V338-R420 VanDerWaalsContact CA-NH2 3.33Å; V338-R420 PolarHBondContact O-NH1 3.04Å; V338-R420 PolarHBondContact O-NH2 3.17Å; N416-R420 PolarHBondContact N-O 3.43Å; D418-R420 PolarHBondContact O-N 2.95Å; D418-R420 WeakPolarHBondContact OD1-CB 3.27Å; D418-R420 PolarHBondContact OD1-N 3.27Å; D418-R420 VanDerWaalsContact OD1-N 3.14Å; D418-R420 VanDerWaalsContact OD2-CD 3.28Å; D418-R420 WeakPolarHBondContact OD2-CD 3.3Å; D418-R420 WeakPolarHBondContact OD2-CG 3.02Å; D418-R420 IonicContact OD2-CZ 2.71Å; D418-R420 IonicContact OD2-NE 3.02Å; D418-R420 IonicContact OD2-NH1 3.88Å; D418-R420 PolarHBondContact OD2-NH1 3.29Å | ||
| 421 | Q | 93.2 | Very high | 91.5 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 134.7 | -178 | -57.7 | -175.8 | 134.7 | 0 | 0 | 111.8 | D317 I332 K334 V413 L414 L415 | D317-Q421 PolarHBondContact O-NE2 2.93Å; I332-Q421 HydrophobicContact CD1-CB 4.43Å; K334-Q421 PolarHBondContact NZ-O 3.27Å; V413-Q421 HydrophobicContact CG1-CB 4.07Å; V413-Q421 HydrophobicContact CG1-CG 4.45Å; L414-Q421 CarbonylContact O-C 3.55Å; L414-Q421 VanDerWaalsContact O-CA 3.27Å; L414-Q421 WeakPolarHBondContact O-CA 3.42Å; L415-Q421 HydrophobicContact CD1-CG 4.17Å |
| 422 | T | 93 | Very high | 91.6 | Very high | 48 Ų | 48 | 44.7 Ų | 44.7 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 152.2 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 110.7 | L414 N416 | L414-T422 PolarHBondContact N-O 2.93Å; L414-T422 PolarHBondContact O-N 3.38Å; N416-T422 VanDerWaalsContact ND2-CG2 3.27Å; N416-T422 WeakPolarHBondContact ND2-CG2 3.31Å; N416-T422 PolarHBondContact OD1-OG1 2.89Å; N416-T422 VanDerWaalsContact OD1-OG1 3.13Å |
| 423 | V | 93.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 22% | 0.218 | 24% | 0.235 | C | C | . | . | trans | -122.2 | 110.7 | 175.2 | 178.5 | 0 | 0 | 0 | 0 | 105.1 | I332 I353 V413 L425 L427 | I332-V423 HydrophobicContact CD1-CG2 3.59Å; I353-V423 HydrophobicContact CD1-CG2 4.29Å; I353-V423 HydrophobicContact CG1-CG2 4.3Å; I353-V423 HydrophobicContact CG2-CB 4.42Å; I353-V423 HydrophobicContact CG2-CG1 4.02Å; I353-V423 HydrophobicContact CG2-CG2 4.03Å; V413-V423 HydrophobicContact CG2-CG2 4.28Å; V423-L425 VanDerWaalsContact C-N 3.34Å; V423-L425 VanDerWaalsContact CG1-O 3.25Å; V423-L425 WeakPolarHBondContact CG1-O 3.34Å; V423-L425 PolarHBondContact O-N 3.39Å; V423-L427 HydrophobicContact CG1-CD1 3.95Å; V423-L427 HydrophobicContact CG1-CG 3.89Å | ||
| 424 | P | 90 | Very high | 91.3 | Very high | 69 Ų | 69 | 48.1 Ų | 48.1 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -73.1 | -28.3 | -166.9 | 27.6 | -33.8 | 0 | 0 | 0 | 112.8 | Y397 F412 L414 | Y397-P424 HydrophobicContact CE1-CG 4.48Å; F412-P424 VanDerWaalsContact O-CD 3.29Å; F412-P424 WeakPolarHBondContact O-CD 3.26Å; L414-P424 HydrophobicContact CD1-CB 4.33Å; L414-P424 HydrophobicContact CD1-CG 4.03Å; L414-P424 HydrophobicContact CG-CG 4.34Å |
| 425 | L | 90.2 | Very high | 91.1 | Very high | 80 Ų | 80 | 46.9 Ų | 46.9 | 42% | 0.419 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -139.3 | 149 | -176.8 | -68.8 | 170.1 | 0 | 0 | 0 | 109.7 | Y397 V423 L427 | Y397-L425 HydrophobicContact CD1-CB 3.43Å; Y397-L425 VanDerWaalsContact CD1-CB 3.43Å; Y397-L425 HydrophobicContact CD1-CD1 3.93Å; Y397-L425 HydrophobicContact CD1-CG 4.31Å; Y397-L425 HydrophobicContact CE1-CB 3.67Å; Y397-L425 HydrophobicContact CE1-CD1 4.13Å; Y397-L425 HydrophobicContact CE1-CG 4.4Å; Y397-L425 HydrophobicContact CG-CB 4.34Å; Y397-L425 HydrophobicContact CG-CD1 4.15Å; V423-L425 VanDerWaalsContact C-N 3.34Å; V423-L425 VanDerWaalsContact CG1-O 3.25Å; V423-L425 WeakPolarHBondContact CG1-O 3.34Å; V423-L425 PolarHBondContact O-N 3.39Å; L425-L427 PolarHBondContact O-N 3.05Å |
| 426 | P | 91.4 | Very high | 90.7 | Very high | 67 Ų | 67 | 48.8 Ų | 48.8 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | trans | -59 | 138.3 | 177.5 | 25 | -33.4 | 0 | 0 | 0 | 111.2 | E398 | E398-P426 HydrophobicContact CB-CB 4.37Å; E398-P426 HydrophobicContact CB-CG 4.12Å; E398-P426 PolarHBondContact N-O 3.47Å; E398-P426 WeakPolarHBondContact OE2-CB 3.44Å | ||
| 427 | L | 92.9 | Very high | 90.1 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 146.6 | -178.5 | -58.7 | -179.4 | 0 | 0 | 0 | 110.3 | L330 I353 C354 Q396 Y397 F412 V423 L425 | L330-L427 HydrophobicContact CD2-CD1 4.42Å; I353-L427 HydrophobicContact CG2-CB 4.44Å; I353-L427 HydrophobicContact CG2-CD1 3.95Å; I353-L427 HydrophobicContact CG2-CG 4.31Å; C354-L427 HydrophobicContact CB-CB 4.09Å; C354-L427 VanDerWaalsContact CB-O 3.24Å; C354-L427 WeakPolarHBondContact CB-O 3.43Å; Q396-L427 WeakPolarHBondContact O-CA 3.48Å; Y397-L427 HydrophobicContact CD1-CD2 3.53Å; Y397-L427 HydrophobicContact CE1-CD2 3.61Å; Y397-L427 HydrophobicContact CG-CD2 4.45Å; F412-L427 HydrophobicContact CB-CD1 4.1Å; F412-L427 HydrophobicContact CB-CD2 4.3Å; F412-L427 HydrophobicContact CD1-CD2 3.51Å; F412-L427 HydrophobicContact CE1-CD2 4.18Å; F412-L427 HydrophobicContact CG-CD2 4.21Å; V423-L427 HydrophobicContact CG1-CD1 3.95Å; V423-L427 HydrophobicContact CG1-CG 3.89Å; L425-L427 PolarHBondContact O-N 3.05Å |
| 428 | R | 91.9 | Very high | 89.9 | Confident | 118 Ų | 118 | 43.2 Ų | 43.2 | 45% | 0.445 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 157.8 | 168.1 | 66.1 | 178.8 | -172.8 | 142.5 | 7.5 | 110.1 | Q396 | Q396-R428 PolarHBondContact N-O 2.82Å; Q396-R428 PolarHBondContact O-N 2.88Å |
| 429 | F | 92.2 | Very high | 89.1 | Confident | 23 Ų | 23 | 40.9 Ų | 40.9 | 10% | 0.101 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.2 | 164.7 | -72 | -78.2 | 0 | 0 | 0 | 109.9 | Y320 I328 L330 C354 I356 V381 S394 L395 | Y320-F429 HydrophobicContact CD1-CE1 4.33Å; Y320-F429 HydrophobicContact CD1-CZ 4.01Å; Y320-F429 AromaticContact CE1-CE1 3.78Å; Y320-F429 HydrophobicContact CE1-CE1 3.78Å; Y320-F429 AromaticContact CE1-CZ 3.76Å; Y320-F429 HydrophobicContact CE1-CZ 3.76Å; I328-F429 HydrophobicContact CG2-CE2 4.42Å; I328-F429 HydrophobicContact CG2-CZ 4.13Å; L330-F429 HydrophobicContact CB-CZ 4.12Å; C354-F429 HydrophobicContact CB-CD2 4.4Å; C354-F429 HydrophobicContact CB-CE2 4.32Å; C354-F429 WeakPolarHBondContact SG-CE2 3.24Å; I356-F429 HydrophobicContact CD1-CB 3.44Å; I356-F429 VanDerWaalsContact CD1-CB 3.44Å; I356-F429 HydrophobicContact CD1-CD1 4.14Å; I356-F429 HydrophobicContact CD1-CD2 3.86Å; I356-F429 HydrophobicContact CD1-CG 3.56Å; I356-F429 HydrophobicContact CG1-CB 3.43Å; I356-F429 VanDerWaalsContact CG1-CB 3.43Å; I356-F429 HydrophobicContact CG1-CD2 3.63Å; I356-F429 HydrophobicContact CG1-CG 3.71Å; V381-F429 HydrophobicContact CG2-CE1 4.22Å; S394-F429 WeakPolarHBondContact O-CA 3.47Å; L395-F429 HydrophobicContact CD2-CD1 3.92Å; L395-F429 HydrophobicContact CD2-CE1 3.64Å; L395-F429 HydrophobicContact CD2-CZ 4.03Å; L395-F429 HydrophobicContact CG-CE1 4.39Å |
| 430 | S | 91.5 | Very high | 88.3 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.7 | 169.9 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | Y393 S394 E432 | Y393-S430 CarbonylContact C-O 3.57Å; Y393-S430 WeakPolarHBondContact CA-O 3.26Å; S394-S430 PolarHBondContact N-O 3.27Å; S394-S430 PolarHBondContact O-N 3.05Å; S430-E432 PolarHBondContact O-N 3.23Å |
| 431 | L | 92 | Very high | 87.9 | Confident | 87 Ų | 87 | 42.8 Ų | 42.8 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 107.2 | 173.2 | 178.4 | 70 | 0 | 0 | 0 | 108.5 | Y393 T434 | Y393-L431 HydrophobicContact CD1-CB 4.03Å; Y393-L431 HydrophobicContact CD1-CD1 3.84Å; Y393-L431 HydrophobicContact CE1-CB 3.93Å; Y393-L431 HydrophobicContact CE1-CD1 3.47Å; Y393-L431 VanDerWaalsContact CE1-CD1 3.47Å; Y393-L431 HydrophobicContact CE1-CG 4.25Å; Y393-L431 HydrophobicContact CE2-CD1 4.31Å; Y393-L431 HydrophobicContact CG-CD1 4.44Å; L431-T434 HydrophobicContact CD1-CG2 3.63Å; L431-T434 HydrophobicContact CD2-CG2 3.76Å; L431-T434 HydrophobicContact CG-CG2 4.01Å |
| 432 | E | 89.1 | Confident | 87.8 | Confident | 85 Ų | 85 | 42.8 Ų | 42.8 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -30.3 | -177.4 | -69.3 | -166 | 171.6 | 0 | 0 | 112.9 | R392 S394 S430 | R392-E432 IonicContact CZ-OE2 3.09Å; R392-E432 IonicContact NH1-OE2 2.7Å; R392-E432 PolarHBondContact NH1-OE2 2.78Å; R392-E432 IonicContact NH2-OE2 2.64Å; R392-E432 PolarHBondContact NH2-OE2 3.41Å; R392-E432 PolarHBondContact O-N 3.32Å; S394-E432 WeakPolarHBondContact CB-OE1 3.34Å; S394-E432 PolarHBondContact OG-OE1 3.43Å; S394-E432 VanDerWaalsContact OG-OE1 3.05Å; S430-E432 PolarHBondContact O-N 3.23Å |
| 433 | G | 88.4 | Confident | 87.7 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 149.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | R392 | R392-G433 PolarHBondContact N-O 3.08Å; R392-G433 PolarHBondContact O-N 2.68Å |
| 434 | T | 90.6 | Very high | 87.7 | Confident | 60 Ų | 60 | 40.2 Ų | 40.2 | 37% | 0.368 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 136 | 175 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | I390 L431 | I390-T434 CarbonylContact O-C 3.54Å; I390-T434 VanDerWaalsContact O-CA 3.22Å; I390-T434 WeakPolarHBondContact O-CA 3.18Å; L431-T434 HydrophobicContact CD1-CG2 3.63Å; L431-T434 HydrophobicContact CD2-CG2 3.76Å; L431-T434 HydrophobicContact CG-CG2 4.01Å |
| 435 | A | 89.3 | Confident | 88 | Confident | 11 Ų | 11 | 37 Ų | 37 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y36 M41 R389 I390 | Y36-A435 HydrophobicContact CD1-CB 4.24Å; Y36-A435 HydrophobicContact CE1-CB 3.67Å; M41-A435 HydrophobicContact CB-CB 4.46Å; M41-A435 HydrophobicContact CE-CB 4.2Å; R389-A435 CarbonylContact C-O 3.58Å; R389-A435 WeakPolarHBondContact CA-O 3.43Å; I390-A435 HydrophobicContact CB-CB 4.3Å; I390-A435 HydrophobicContact CD1-CB 4.44Å; I390-A435 PolarHBondContact N-O 3.32Å; I390-A435 PolarHBondContact O-N 3.29Å |
| 436 | S | 83.8 | Confident | 88.1 | Confident | 43 Ų | 43 | 34 Ų | 34 | 30% | 0.301 | 20% | 0.199 | S | C | . | . | trans | -105.8 | 134.1 | 175.7 | -66.7 | 0 | 0 | 0 | 0 | 109.9 | I478 | S436-I478 WeakPolarHBondContact O-CD1 3.45Š| ||
| 437 | G | 80.4 | Confident | 88.2 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 7% | 0.072 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -86.8 | 173.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G6 G388 G439 I478 | G6-G437 WeakPolarHBondContact O-CA 3.33Å; G388-G437 PolarHBondContact O-N 3Å; G437-G439 PolarHBondContact O-N 3.05Å; G437-I478 VanDerWaalsContact C-CD1 3.44Å; G437-I478 WeakPolarHBondContact O-CD1 3.22Å |
| 438 | I | 84.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 134.3 | 178.1 | -61.8 | -174.4 | 0 | 0 | 0 | 109.5 | I5 G6 G7 F8 V442 V461 G771 V773 | I5-I438 HydrophobicContact CB-CD1 4.04Å; I5-I438 HydrophobicContact CB-CG1 4.46Å; I5-I438 HydrophobicContact CG2-CD1 3.99Å; I5-I438 HydrophobicContact CG2-CG1 3.87Å; G6-I438 PolarHBondContact O-N 2.87Å; G7-I438 CarbonylContact C-O 3.07Å; G7-I438 WeakPolarHBondContact CA-O 3.42Å; F8-I438 PolarHBondContact N-O 3.48Å; I438-V442 HydrophobicContact CG2-CG1 3.5Å; I438-V442 VanDerWaalsContact CG2-CG1 3.5Å; I438-V461 HydrophobicContact CG2-CG1 4.42Å; I438-G771 WeakPolarHBondContact CB-O 3.13Å; I438-G771 WeakPolarHBondContact CG2-O 3.36Å; I438-V773 HydrophobicContact CD1-CB 3.44Å; I438-V773 VanDerWaalsContact CD1-CB 3.44Å; I438-V773 HydrophobicContact CD1-CG2 3.2Å |
| 439 | G | 73.5 | Confident | 87.8 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 163.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G437 V442 H463 | G437-G439 PolarHBondContact O-N 3.05Å; G439-V442 WeakPolarHBondContact O-CG1 3.5Å; G439-H463 VanDerWaalsContact C-CE1 3.42Å; G439-H463 WeakPolarHBondContact CA-CE1 3.19Å; G439-H463 PolarHBondContact N-CE1 3.35Å; G439-H463 PolarHBondContact O-CE1 3.45Å; G439-H463 VanDerWaalsContact O-CE1 3.27Å; G439-H463 PolarHBondContact O-ND1 2.91Å |
| 440 | G | 72.7 | Confident | 87.2 | Confident | 12 Ų | 12 | 26.5 Ų | 26.5 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -71.1 | 161 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | V442 H463 | G440-V442 PolarHBondContact O-N 3.4Å; G440-H463 PolarHBondContact O-ND1 2.89Å |
| 441 | S | 83.5 | Confident | 86.4 | Confident | 79 Ų | 79 | 28.8 Ų | 28.8 | 55% | 0.552 | 18% | 0.176 | S | C | * | . | S | Bend | trans | 59.2 | 43.9 | 168.4 | -47.3 | 0 | 0 | 0 | 0 | 113.9 | H463 L464 | S441-H463 CarbonylContact O-C 3.57Å; S441-H463 WeakPolarHBondContact O-CA 3.18Å; S441-L464 WeakPolarHBondContact O-CB 3.21Å; S441-L464 VanDerWaalsContact O-CG 3.27Å; S441-L464 WeakPolarHBondContact O-CG 3.33Å; S441-L464 PolarHBondContact O-N 3.01Å |
| 442 | V | 90.3 | Very high | 85.4 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 147.1 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 111.7 | I438 G439 G440 V461 L754 L767 | I438-V442 HydrophobicContact CG2-CG1 3.5Å; I438-V442 VanDerWaalsContact CG2-CG1 3.5Å; G439-V442 WeakPolarHBondContact O-CG1 3.5Å; G440-V442 PolarHBondContact O-N 3.4Å; V442-V461 HydrophobicContact CB-CG1 4.22Å; V442-V461 HydrophobicContact CG1-CG1 3.93Å; V442-L754 HydrophobicContact CG2-CD1 3.71Å; V442-L754 WeakPolarHBondContact O-CD1 3.36Å; V442-L767 HydrophobicContact CB-CD1 3.81Å; V442-L767 HydrophobicContact CB-CD2 3.9Å; V442-L767 HydrophobicContact CB-CG 4.14Å; V442-L767 HydrophobicContact CG1-CD1 4.11Å; V442-L767 HydrophobicContact CG2-CD1 3.65Å; V442-L767 HydrophobicContact CG2-CD2 3.89Å; V442-L767 HydrophobicContact CG2-CG 3.72Å |
| 443 | S | 90.9 | Very high | 84.3 | Confident | 28 Ų | 28 | 27.9 Ų | 27.9 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | -38.3 | -175.8 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | G462 V489 | S443-G462 PolarHBondContact N-O 3.09Å; S443-G462 PolarHBondContact OG-O 2.77Å; S443-G462 VanDerWaalsContact OG-O 3.09Å; S443-V489 PolarHBondContact OG-O 2.59Å |
| 444 | I | 93.9 | Very high | 83.2 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 148.1 | -171.1 | -167.7 | 165.7 | 0 | 0 | 0 | 111.1 | V461 G462 V489 R490 L492 D755 | I444-V461 WeakPolarHBondContact O-CA 3.44Å; I444-G462 PolarHBondContact N-O 2.76Å; I444-G462 PolarHBondContact O-N 2.83Å; I444-V489 HydrophobicContact CG2-CG1 4.14Å; I444-R490 WeakPolarHBondContact CD1-O 3.21Å; I444-L492 HydrophobicContact CD1-CB 4.31Å; I444-L492 HydrophobicContact CG2-CB 4.08Å; I444-L492 HydrophobicContact CG2-CD2 4.28Å; I444-D755 WeakPolarHBondContact CG1-OD2 3.05Å |
| 445 | L | 94.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 136 | 179.4 | 179.6 | 138.1 | 0 | 0 | 0 | 110.6 | V459 A460 V461 R712 D755 D757 V765 L767 V773 | L445-V459 HydrophobicContact CD1-CG2 3.74Å; L445-V459 HydrophobicContact CD2-CG2 3.75Å; L445-V459 HydrophobicContact CG-CG2 3.47Å; L445-V459 VanDerWaalsContact CG-CG2 3.47Å; L445-A460 WeakPolarHBondContact CA-O 3.29Å; L445-V461 HydrophobicContact CD1-CG2 4.21Å; L445-R712 PolarHBondContact O-NH1 3.26Å; L445-D755 HydrophobicContact CB-CB 4.34Å; L445-D755 PolarHBondContact N-OD2 2.95Å; L445-D755 VanDerWaalsContact O-OD2 3.09Å; L445-D757 HydrophobicContact CD2-CB 3.59Å; L445-V765 HydrophobicContact CD1-CG1 3.83Å; L445-V765 HydrophobicContact CD2-CB 4.32Å; L445-V765 HydrophobicContact CD2-CG1 3.92Å; L445-L767 HydrophobicContact CB-CB 4.02Å; L445-L767 HydrophobicContact CB-CD2 4.15Å; L445-L767 HydrophobicContact CD1-CB 4.12Å; L445-L767 HydrophobicContact CD1-CD1 4.44Å; L445-V773 HydrophobicContact CD1-CG1 4.02Å; L445-V773 HydrophobicContact CD1-CG2 3.77Å |
| 446 | R | 94.1 | Very high | 81.1 | Confident | 18 Ų | 18 | 34.1 Ų | 34.1 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 121.5 | 176.7 | -73.7 | -67.7 | -180 | -79.2 | 6.7 | 112.3 | V459 A460 L492 E493 W494 R712 D755 | R446-V459 WeakPolarHBondContact O-CG2 3.5Å; R446-A460 PolarHBondContact N-O 3.32Å; R446-A460 PolarHBondContact O-N 2.87Å; R446-L492 HydrophobicContact CB-CD2 4.43Å; R446-L492 HydrophobicContact CB-CG 4.38Å; R446-L492 HydrophobicContact CG-CB 4.16Å; R446-L492 HydrophobicContact CG-CD2 4.47Å; R446-L492 HydrophobicContact CG-CG 4.17Å; R446-L492 VanDerWaalsContact CG-O 3.26Å; R446-L492 WeakPolarHBondContact CG-O 2.97Å; R446-L492 PolarHBondContact NE-O 3.08Å; R446-E493 IonicContact NE-OE1 2.69Å; R446-E493 PolarHBondContact NE-OE1 3.34Å; R446-E493 IonicContact NH2-OE1 2.75Å; R446-W494 PolarHBondContact O-NE1 2.98Å; R446-W494 VanDerWaalsContact O-NE1 3.08Å; R446-R712 VanDerWaalsContact CZ-CZ 3.42Å; R446-D755 IonicContact NH1-OD2 2.64Å; R446-D755 PolarHBondContact NH1-OD2 2.81Å |
| 447 | M | 92.9 | Very high | 81 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 3% | 0.03 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 139.3 | 173.4 | -165.4 | 65.7 | -175.5 | 0 | 0 | 111.1 | P449 Q457 V459 L473 W494 T715 D757 L758 | M447-P449 WeakPolarHBondContact O-CD 3.47Å; M447-Q457 VanDerWaalsContact CE-CA 3.48Å; M447-Q457 HydrophobicContact CE-CB 4.29Å; M447-V459 HydrophobicContact SD-CB 4.07Å; M447-V459 HydrophobicContact SD-CG2 4.43Å; M447-L473 HydrophobicContact CE-CD1 4.09Å; M447-L473 HydrophobicContact SD-CD1 3.88Å; M447-W494 VanDerWaalsContact O-CD1 3.25Å; M447-W494 PolarHBondContact O-NE1 2.94Å; M447-T715 HydrophobicContact CB-CG2 4.46Å; M447-D757 HydrophobicContact CB-CB 4.38Å; M447-D757 PolarHBondContact N-OD2 3Å; M447-D757 VanDerWaalsContact N-OD2 3.12Å; M447-L758 WeakPolarHBondContact CB-O 3.41Å; M447-L758 VanDerWaalsContact CG-O 3.32Å; M447-L758 WeakPolarHBondContact CG-O 3.28Å |
| 448 | C | 90.8 | Very high | 81.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 128.8 | 172.1 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | L458 W494 | C448-L458 HydrophobicContact CB-CB 4.04Å; C448-L458 WeakPolarHBondContact CB-O 3.39Å; C448-L458 PolarHBondContact N-O 3.04Å; C448-W494 HydrophobicContact CB-CD2 4.08Å; C448-W494 HydrophobicContact CB-CE3 4.33Å; C448-W494 HydrophobicContact CB-CH2 4.05Å; C448-W494 HydrophobicContact CB-CZ2 3.75Å; C448-W494 HydrophobicContact CB-CZ3 4.31Å |
| 449 | P | 84.8 | Confident | 82 | Confident | 40 Ų | 40 | 33.5 Ų | 33.5 | 26% | 0.26 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -67.6 | 152.1 | 170.4 | -19.6 | 31.9 | 0 | 0 | 0 | 112.7 | M447 F451 W494 T715 | M447-P449 WeakPolarHBondContact O-CD 3.47Å; P449-F451 VanDerWaalsContact C-N 3.34Å; P449-F451 HydrophobicContact CB-CD2 4.35Å; P449-F451 HydrophobicContact CB-CE1 4.07Å; P449-F451 HydrophobicContact CB-CE2 3.93Å; P449-F451 HydrophobicContact CB-CZ 3.78Å; P449-F451 HydrophobicContact CG-CE1 4.25Å; P449-F451 HydrophobicContact CG-CE2 3.98Å; P449-F451 HydrophobicContact CG-CZ 3.63Å; P449-F451 WeakPolarHBondContact O-CD2 3.2Å; P449-F451 PolarHBondContact O-N 2.93Å; P449-W494 HydrophobicContact CG-CB 4.32Å; P449-T715 HydrophobicContact CB-CG2 4.5Å |
| 450 | A | 80.7 | Confident | 83 | Confident | 15 Ų | 15 | 33 Ų | 33 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | trans | -79.2 | 75.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D452 | A450-D452 PolarHBondContact O-N 3.01Š| ||
| 451 | F | 75.1 | Confident | 84.1 | Confident | 75 Ų | 75 | 32.5 Ų | 32.5 | 33% | 0.329 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -33 | -173.5 | -66.6 | -74 | 0 | 0 | 0 | 114.7 | P449 W494 G496 S497 C550 | P449-F451 VanDerWaalsContact C-N 3.34Å; P449-F451 HydrophobicContact CB-CD2 4.35Å; P449-F451 HydrophobicContact CB-CE1 4.07Å; P449-F451 HydrophobicContact CB-CE2 3.93Å; P449-F451 HydrophobicContact CB-CZ 3.78Å; P449-F451 HydrophobicContact CG-CE1 4.25Å; P449-F451 HydrophobicContact CG-CE2 3.98Å; P449-F451 HydrophobicContact CG-CZ 3.63Å; P449-F451 WeakPolarHBondContact O-CD2 3.2Å; P449-F451 PolarHBondContact O-N 2.93Å; F451-W494 HydrophobicContact CE2-CB 4.3Å; F451-W494 HydrophobicContact CZ-CB 4.07Å; F451-G496 VanDerWaalsContact CD2-C 3.44Å; F451-G496 VanDerWaalsContact CE2-O 3.25Å; F451-G496 WeakPolarHBondContact CE2-O 3.32Å; F451-S497 VanDerWaalsContact CD2-N 3.27Å; F451-C550 WeakPolarHBondContact CE1-SG 3.15Å |
| 452 | D | 70.8 | Confident | 84.6 | Confident | 98 Ų | 98 | 28.7 Ų | 28.7 | 52% | 0.524 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 9 | -177.1 | 64.9 | -6.8 | 0 | 0 | 0 | 113 | A450 T454 H456 | A450-D452 PolarHBondContact O-N 3.01Å; D452-T454 VanDerWaalsContact CG-OG1 3.24Å; D452-T454 PolarHBondContact O-N 3.25Å; D452-T454 WeakPolarHBondContact OD1-CA 3.44Å; D452-T454 WeakPolarHBondContact OD1-CB 3.49Å; D452-T454 PolarHBondContact OD1-N 3.16Å; D452-T454 PolarHBondContact OD1-OG1 3.22Å; D452-T454 PolarHBondContact OD2-OG1 3.08Å; D452-T454 VanDerWaalsContact OD2-OG1 3.12Å; D452-H456 IonicContact OD1-NE2 2.8Å; D452-H456 IonicContact OD2-NE2 2.79Å |
| 453 | G | 65.6 | Low | 84.7 | Confident | 55 Ų | 55 | 28.3 Ų | 28.3 | 57% | 0.567 | 16% | 0.161 | S | C | * | . | S | Bend | trans | 73.6 | -1.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 454 | T | 65.9 | Low | 84.7 | Confident | 64 Ų | 64 | 31.3 Ų | 31.3 | 39% | 0.393 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -81.9 | 139.4 | 169.6 | 75.8 | 0 | 0 | 0 | 0 | 109.6 | D452 H456 | D452-T454 VanDerWaalsContact CG-OG1 3.24Å; D452-T454 PolarHBondContact O-N 3.25Å; D452-T454 WeakPolarHBondContact OD1-CA 3.44Å; D452-T454 WeakPolarHBondContact OD1-CB 3.49Å; D452-T454 PolarHBondContact OD1-N 3.16Å; D452-T454 PolarHBondContact OD1-OG1 3.22Å; D452-T454 PolarHBondContact OD2-OG1 3.08Å; D452-T454 VanDerWaalsContact OD2-OG1 3.12Å; T454-H456 PolarHBondContact O-N 3.26Å; T454-H456 VanDerWaalsContact O-N 3.1Å; T454-H456 PolarHBondContact OG1-CE1 3.3Å; T454-H456 PolarHBondContact OG1-NE2 2.67Å |
| 455 | K | 66 | Low | 84.4 | Confident | 92 Ų | 92 | 35.8 Ų | 35.8 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | trans | -73.4 | 102.1 | -179.1 | -78.9 | -167.2 | 175.6 | -169.2 | 0 | 110.3 | E760 D761 | K455-E760 WeakPolarHBondContact CA-OE1 3.31Å; K455-E760 WeakPolarHBondContact CA-OE2 3.24Å; K455-E760 WeakPolarHBondContact CB-OE2 3.02Å; K455-E760 WeakPolarHBondContact CG-OE2 3.19Å; K455-D761 IonicContact NZ-OD1 2.68Å; K455-D761 PolarHBondContact NZ-OD1 3.42Å | ||
| 456 | H | 68.2 | Low | 84.1 | Confident | 62 Ų | 62 | 35.8 Ų | 35.8 | 29% | 0.287 | 20% | 0.199 | S | C | . | . | trans | -99.5 | 105.3 | 173.1 | -68.7 | -43.5 | 0 | 0 | 0 | 110.1 | D452 T454 L458 E760 | D452-H456 IonicContact OD1-NE2 2.8Å; D452-H456 IonicContact OD2-NE2 2.79Å; T454-H456 PolarHBondContact O-N 3.26Å; T454-H456 VanDerWaalsContact O-N 3.1Å; T454-H456 PolarHBondContact OG1-CE1 3.3Å; T454-H456 PolarHBondContact OG1-NE2 2.67Å; H456-L458 PolarHBondContact O-N 3.47Å; H456-E760 PolarHBondContact N-OE1 2.77Å; H456-E760 PolarHBondContact N-OE2 3.18Å | ||
| 457 | Q | 82.8 | Confident | 84 | Confident | 16 Ų | 16 | 36 Ų | 36 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | trans | -82.8 | 39.8 | 174.3 | -67.4 | -139.9 | 3.2 | 0 | 0 | 113.4 | M447 L473 R474 D761 | M447-Q457 VanDerWaalsContact CE-CA 3.48Å; M447-Q457 HydrophobicContact CE-CB 4.29Å; Q457-L473 HydrophobicContact CB-CB 4.22Å; Q457-L473 PolarHBondContact O-N 3.18Å; Q457-R474 HydrophobicContact CB-CB 4.34Å; Q457-D761 PolarHBondContact NE2-OD2 2.97Å | ||
| 458 | L | 90.5 | Very high | 84 | Confident | 22 Ų | 22 | 35.7 Ų | 35.7 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 133.1 | -178 | -164 | 70.1 | 0 | 0 | 0 | 110.4 | C448 H456 L470 D472 R479 W494 | C448-L458 HydrophobicContact CB-CB 4.04Å; C448-L458 WeakPolarHBondContact CB-O 3.39Å; C448-L458 PolarHBondContact N-O 3.04Å; H456-L458 PolarHBondContact O-N 3.47Å; L458-L470 HydrophobicContact CD1-CB 4.34Å; L458-L470 HydrophobicContact CD2-CD1 4.43Å; L458-D472 HydrophobicContact CD1-CB 4.32Å; L458-R479 HydrophobicContact CD1-CG 4.35Å; L458-W494 HydrophobicContact CD2-CH2 3.61Å; L458-W494 HydrophobicContact CD2-CZ2 4.5Å; L458-W494 HydrophobicContact CD2-CZ3 4.25Å; L458-W494 HydrophobicContact CG-CH2 4.09Å |
| 459 | V | 93.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.3 | 176.5 | 71 | 0 | 0 | 0 | 0 | 110.1 | L445 R446 M447 L470 V471 L473 | L445-V459 HydrophobicContact CD1-CG2 3.74Å; L445-V459 HydrophobicContact CD2-CG2 3.75Å; L445-V459 HydrophobicContact CG-CG2 3.47Å; L445-V459 VanDerWaalsContact CG-CG2 3.47Å; R446-V459 WeakPolarHBondContact O-CG2 3.5Å; M447-V459 HydrophobicContact SD-CB 4.07Å; M447-V459 HydrophobicContact SD-CG2 4.43Å; V459-L470 WeakPolarHBondContact O-CA 3.39Å; V459-V471 HydrophobicContact CG1-CB 3.72Å; V459-V471 HydrophobicContact CG1-CG1 4.43Å; V459-V471 WeakPolarHBondContact CG1-O 3.48Å; V459-V471 PolarHBondContact N-O 3.13Å; V459-V471 PolarHBondContact O-N 3.43Å; V459-L473 HydrophobicContact CB-CD1 4.38Å; V459-L473 HydrophobicContact CB-CG 4.41Å; V459-L473 HydrophobicContact CG1-CD1 4.38Å; V459-L473 HydrophobicContact CG1-CD2 3.77Å; V459-L473 HydrophobicContact CG1-CG 3.98Å |
| 460 | A | 95.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | L445 R446 I468 Q469 L470 L492 W494 | L445-A460 WeakPolarHBondContact CA-O 3.29Å; R446-A460 PolarHBondContact N-O 3.32Å; R446-A460 PolarHBondContact O-N 2.87Å; A460-I468 HydrophobicContact CB-CG2 4.42Å; A460-Q469 WeakPolarHBondContact CA-O 3.32Å; A460-L470 HydrophobicContact CB-CD2 3.63Å; A460-L492 HydrophobicContact CB-CD2 3.7Å; A460-L492 HydrophobicContact CB-CG 4.42Å; A460-W494 HydrophobicContact CB-CH2 4.39Å; A460-W494 HydrophobicContact CB-CZ2 3.57Å |
| 461 | V | 95.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.6 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | I438 V442 I444 L445 I468 Q469 V471 L767 V773 | I438-V461 HydrophobicContact CG2-CG1 4.42Å; V442-V461 HydrophobicContact CB-CG1 4.22Å; V442-V461 HydrophobicContact CG1-CG1 3.93Å; I444-V461 WeakPolarHBondContact O-CA 3.44Å; L445-V461 HydrophobicContact CD1-CG2 4.21Å; V461-I468 CarbonylContact O-C 3.6Å; V461-I468 VanDerWaalsContact O-CA 3.28Å; V461-I468 WeakPolarHBondContact O-CA 3.33Å; V461-Q469 PolarHBondContact N-O 2.88Å; V461-Q469 PolarHBondContact O-N 2.82Å; V461-V471 HydrophobicContact CG2-CG2 4.23Å; V461-L767 HydrophobicContact CG1-CD1 4.05Å; V461-V773 HydrophobicContact CG2-CG2 4.11Å |
| 462 | G | 94.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 147.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S443 I444 | S443-G462 PolarHBondContact N-O 3.09Å; S443-G462 PolarHBondContact OG-O 2.77Å; S443-G462 VanDerWaalsContact OG-O 3.09Å; I444-G462 PolarHBondContact N-O 2.76Å; I444-G462 PolarHBondContact O-N 2.83Å |
| 463 | H | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 161.9 | -177.5 | -62.7 | -105.1 | 0 | 0 | 0 | 112.1 | G439 G440 S441 D465 G466 L467 Q469 V489 | G439-H463 VanDerWaalsContact C-CE1 3.42Å; G439-H463 WeakPolarHBondContact CA-CE1 3.19Å; G439-H463 PolarHBondContact N-CE1 3.35Å; G439-H463 PolarHBondContact O-CE1 3.45Å; G439-H463 VanDerWaalsContact O-CE1 3.27Å; G439-H463 PolarHBondContact O-ND1 2.91Å; G440-H463 PolarHBondContact O-ND1 2.89Å; S441-H463 CarbonylContact O-C 3.57Å; S441-H463 WeakPolarHBondContact O-CA 3.18Å; H463-D465 VanDerWaalsContact C-N 3.26Å; H463-D465 WeakPolarHBondContact CB-OD1 3.42Å; H463-D465 PolarHBondContact O-N 3.47Å; H463-G466 PolarHBondContact O-N 2.83Å; H463-L467 HydrophobicContact CB-CB 3.97Å; H463-L467 PolarHBondContact CD2-O 2.85Å; H463-L467 PolarHBondContact N-O 2.94Å; H463-Q469 PolarHBondContact CE1-OE1 3.5Å; H463-Q469 PolarHBondContact NE2-OE1 3.45Å; H463-Q469 VanDerWaalsContact NE2-OE1 3.16Å; H463-V489 WeakPolarHBondContact O-CG2 3.36Å; H463-V489 PolarHBondContact O-N 3.37Å |
| 464 | L | 90.1 | Very high | 87.5 | Confident | 90 Ų | 90 | 29.6 Ų | 29.6 | 47% | 0.471 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.5 | 177.3 | -63.4 | 176.9 | 0 | 0 | 0 | 113.3 | S441 P488 | S441-L464 WeakPolarHBondContact O-CB 3.21Å; S441-L464 VanDerWaalsContact O-CG 3.27Å; S441-L464 WeakPolarHBondContact O-CG 3.33Å; S441-L464 PolarHBondContact O-N 3.01Å; L464-P488 HydrophobicContact CB-CB 4.36Å; L464-P488 HydrophobicContact CD2-CB 3.9Å; L464-P488 WeakPolarHBondContact O-CA 3.32Å; L464-P488 WeakPolarHBondContact O-CB 3.31Å; L464-P488 VanDerWaalsContact O-CG 3.24Å; L464-P488 WeakPolarHBondContact O-CG 3.35Å |
| 465 | D | 87.5 | Confident | 88.2 | Confident | 97 Ų | 97 | 28.4 Ų | 28.4 | 52% | 0.519 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 1.1 | 175.3 | 63.6 | -2.2 | 0 | 0 | 0 | 113.4 | H463 L467 | H463-D465 VanDerWaalsContact C-N 3.26Å; H463-D465 WeakPolarHBondContact CB-OD1 3.42Å; H463-D465 PolarHBondContact O-N 3.47Å; D465-L467 VanDerWaalsContact OD1-CB 3.3Å; D465-L467 WeakPolarHBondContact OD1-CB 3.32Å; D465-L467 PolarHBondContact OD1-N 3.02Å; D465-L467 VanDerWaalsContact OD1-N 3.14Å |
| 466 | G | 89.4 | Confident | 89.1 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 92.6 | 4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H463 I484 H485 C487 | H463-G466 PolarHBondContact O-N 2.83Å; G466-I484 PolarHBondContact O-N 3.05Å; G466-H485 WeakPolarHBondContact CA-O 3.39Å; G466-H485 PolarHBondContact O-N 2.95Å; G466-C487 WeakPolarHBondContact CA-O 3.32Å; G466-C487 PolarHBondContact N-O 3.36Å |
| 467 | L | 91.4 | Very high | 89.9 | Confident | 21 Ų | 21 | 25.5 Ų | 25.5 | 11% | 0.11 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 145.3 | 171.3 | -172.7 | 71.6 | 0 | 0 | 0 | 111.5 | H463 D465 Q469 E481 | H463-L467 HydrophobicContact CB-CB 3.97Å; H463-L467 PolarHBondContact CD2-O 2.85Å; H463-L467 PolarHBondContact N-O 2.94Å; D465-L467 VanDerWaalsContact OD1-CB 3.3Å; D465-L467 WeakPolarHBondContact OD1-CB 3.32Å; D465-L467 PolarHBondContact OD1-N 3.02Å; D465-L467 VanDerWaalsContact OD1-N 3.14Å; L467-Q469 HydrophobicContact CD2-CG 3.69Å; L467-Q469 HydrophobicContact CG-CG 4.06Å; L467-E481 HydrophobicContact CD1-CB 4.24Å |
| 468 | I | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 122.2 | 163.5 | -55.8 | -172.4 | 0 | 0 | 0 | 109 | A460 V461 F482 I484 V489 L492 I500 | A460-I468 HydrophobicContact CB-CG2 4.42Å; V461-I468 CarbonylContact O-C 3.6Å; V461-I468 VanDerWaalsContact O-CA 3.28Å; V461-I468 WeakPolarHBondContact O-CA 3.33Å; I468-F482 PolarHBondContact N-O 3.37Å; I468-F482 PolarHBondContact O-N 2.95Å; I468-I484 HydrophobicContact CB-CD1 4.01Å; I468-I484 HydrophobicContact CD1-CD1 3.69Å; I468-I484 HydrophobicContact CG1-CD1 3.96Å; I468-V489 HydrophobicContact CD1-CG1 4.22Å; I468-V489 HydrophobicContact CD1-CG2 4.37Å; I468-V489 HydrophobicContact CG1-CG1 4.49Å; I468-V489 HydrophobicContact CG1-CG2 3.99Å; I468-L492 HydrophobicContact CD1-CD1 3.9Å; I468-L492 HydrophobicContact CG2-CD2 4.45Å; I468-I500 HydrophobicContact CD1-CD1 4.1Å; I468-I500 HydrophobicContact CG2-CD1 4.02Å |
| 469 | Q | 93.2 | Very high | 90 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.6 | 175.4 | -64.4 | -176.6 | -41.3 | 0 | 0 | 110.1 | A460 V461 H463 L467 V471 I478 E481 | A460-Q469 WeakPolarHBondContact CA-O 3.32Å; V461-Q469 PolarHBondContact N-O 2.88Å; V461-Q469 PolarHBondContact O-N 2.82Å; H463-Q469 PolarHBondContact CE1-OE1 3.5Å; H463-Q469 PolarHBondContact NE2-OE1 3.45Å; H463-Q469 VanDerWaalsContact NE2-OE1 3.16Å; L467-Q469 HydrophobicContact CD2-CG 3.69Å; L467-Q469 HydrophobicContact CG-CG 4.06Å; Q469-V471 HydrophobicContact CB-CG2 4.45Å; Q469-I478 HydrophobicContact CB-CG2 4.33Å; Q469-E481 HydrophobicContact CG-CG 4.09Å; Q469-E481 PolarHBondContact NE2-OE1 3.17Å |
| 470 | L | 93.5 | Very high | 89.7 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.5 | 170.1 | -61.6 | -173.7 | 0 | 0 | 0 | 109.1 | L458 V459 A460 I478 R479 R480 F482 W494 L524 | L458-L470 HydrophobicContact CD1-CB 4.34Å; L458-L470 HydrophobicContact CD2-CD1 4.43Å; V459-L470 WeakPolarHBondContact O-CA 3.39Å; A460-L470 HydrophobicContact CB-CD2 3.63Å; L470-I478 CarbonylContact O-C 3.58Å; L470-I478 WeakPolarHBondContact O-CA 3.38Å; L470-R479 PolarHBondContact O-N 2.85Å; L470-R480 HydrophobicContact CB-CB 4.34Å; L470-R480 HydrophobicContact CD1-CB 4.21Å; L470-R480 HydrophobicContact CG-CB 4.42Å; L470-R480 PolarHBondContact N-O 3.49Å; L470-F482 HydrophobicContact CD1-CE2 3.83Å; L470-F482 HydrophobicContact CG-CE2 4.14Å; L470-W494 HydrophobicContact CD2-CH2 3.83Å; L470-W494 HydrophobicContact CD2-CZ2 4.2Å; L470-L524 HydrophobicContact CD1-CB 4.48Å; L470-L524 HydrophobicContact CD1-CD1 3.66Å; L470-L524 HydrophobicContact CD1-CD2 3.8Å; L470-L524 HydrophobicContact CD1-CG 4.17Å |
| 471 | V | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.8 | -174.7 | -173.1 | 0 | 0 | 0 | 0 | 109 | I5 V459 V461 Q469 E477 I478 | I5-V471 HydrophobicContact CD1-CG1 3.34Å; V459-V471 HydrophobicContact CG1-CB 3.72Å; V459-V471 HydrophobicContact CG1-CG1 4.43Å; V459-V471 WeakPolarHBondContact CG1-O 3.48Å; V459-V471 PolarHBondContact N-O 3.13Å; V459-V471 PolarHBondContact O-N 3.43Å; V461-V471 HydrophobicContact CG2-CG2 4.23Å; Q469-V471 HydrophobicContact CB-CG2 4.45Å; V471-E477 WeakPolarHBondContact CA-O 3.3Å; V471-I478 HydrophobicContact CG2-CG1 4.31Å |
| 472 | D | 90.2 | Very high | 89.2 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 115.5 | 171.6 | -178.3 | -13.6 | 0 | 0 | 0 | 108.6 | L458 R474 S475 C476 E477 R479 | L458-D472 HydrophobicContact CD1-CB 4.32Å; D472-R474 VanDerWaalsContact C-N 3.27Å; D472-R474 PolarHBondContact O-N 3.4Å; D472-R474 WeakPolarHBondContact OD1-CB 2.95Å; D472-R474 PolarHBondContact OD1-N 3.29Å; D472-S475 WeakPolarHBondContact CB-OG 3.35Å; D472-S475 PolarHBondContact OD2-OG 3.31Å; D472-C476 CarbonylContact O-C 3.57Å; D472-C476 WeakPolarHBondContact O-CA 3.35Å; D472-C476 PolarHBondContact O-N 2.64Å; D472-E477 PolarHBondContact N-O 2.81Å; D472-E477 PolarHBondContact O-N 3.19Å; D472-R479 HydrophobicContact CB-CG 4.02Å; D472-R479 IonicContact OD2-CZ 3.08Å; D472-R479 IonicContact OD2-NE 2.86Å; D472-R479 PolarHBondContact OD2-NE 3.08Å; D472-R479 VanDerWaalsContact OD2-NE 3.09Å; D472-R479 IonicContact OD2-NH2 3.74Å; D472-R479 PolarHBondContact OD2-NH2 3.17Å |
| 473 | L | 87.9 | Confident | 88.9 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.1 | -178.2 | -60 | 175.8 | 0 | 0 | 0 | 112.6 | I5 M447 Q457 V459 C476 V765 V773 | I5-L473 HydrophobicContact CD1-CD2 4.26Å; M447-L473 HydrophobicContact CE-CD1 4.09Å; M447-L473 HydrophobicContact SD-CD1 3.88Å; Q457-L473 HydrophobicContact CB-CB 4.22Å; Q457-L473 PolarHBondContact O-N 3.18Å; V459-L473 HydrophobicContact CB-CD1 4.38Å; V459-L473 HydrophobicContact CB-CG 4.41Å; V459-L473 HydrophobicContact CG1-CD1 4.38Å; V459-L473 HydrophobicContact CG1-CD2 3.77Å; V459-L473 HydrophobicContact CG1-CG 3.98Å; L473-C476 PolarHBondContact O-SG 3.13Å; L473-C476 VanDerWaalsContact O-SG 3.41Å; L473-V765 HydrophobicContact CD1-CG1 4.22Å; L473-V765 HydrophobicContact CD1-CG2 3.62Å; L473-V773 HydrophobicContact CD2-CG1 4.16Å |
| 474 | R | 83 | Confident | 88.8 | Confident | 129 Ų | 129 | 51 Ų | 51 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -48.6 | 178.1 | -174.2 | 178 | -70.9 | 179.6 | 1.5 | 111.3 | Q457 D472 | Q457-R474 HydrophobicContact CB-CB 4.34Å; D472-R474 VanDerWaalsContact C-N 3.27Å; D472-R474 PolarHBondContact O-N 3.4Å; D472-R474 WeakPolarHBondContact OD1-CB 2.95Å; D472-R474 PolarHBondContact OD1-N 3.29Å |
| 475 | S | 81.4 | Confident | 88.8 | Confident | 38 Ų | 38 | 47.2 Ų | 47.2 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -16.9 | 174.6 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | D472 E477 | D472-S475 WeakPolarHBondContact CB-OG 3.35Å; D472-S475 PolarHBondContact OD2-OG 3.31Å; S475-E477 VanDerWaalsContact C-N 3.26Å; S475-E477 PolarHBondContact OG-N 3.49Å |
| 476 | C | 84.9 | Confident | 88.8 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.054 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 34.5 | -169.9 | -63.4 | 0 | 0 | 0 | 0 | 113.5 | K3 I5 L43 D472 L473 | K3-C476 VanDerWaalsContact CD-SG 3.55Å; I5-C476 HydrophobicContact CD1-CB 3.95Å; I5-C476 HydrophobicContact CG1-CB 3.97Å; L43-C476 HydrophobicContact CB-CB 4.29Å; L43-C476 HydrophobicContact CD2-CB 3.6Å; L43-C476 HydrophobicContact CG-CB 4.44Å; D472-C476 CarbonylContact O-C 3.57Å; D472-C476 WeakPolarHBondContact O-CA 3.35Å; D472-C476 PolarHBondContact O-N 2.64Å; L473-C476 PolarHBondContact O-SG 3.13Å; L473-C476 VanDerWaalsContact O-SG 3.41Å |
| 477 | E | 85.4 | Confident | 88.8 | Confident | 85 Ų | 85 | 47.8 Ų | 47.8 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.7 | -178.6 | -69.2 | 175.3 | 176.2 | 0 | 0 | 112 | N42 V471 D472 S475 R479 | N42-E477 PolarHBondContact OD1-OE1 2.95Å; V471-E477 WeakPolarHBondContact CA-O 3.3Å; D472-E477 PolarHBondContact N-O 2.81Å; D472-E477 PolarHBondContact O-N 3.19Å; S475-E477 VanDerWaalsContact C-N 3.26Å; S475-E477 PolarHBondContact OG-N 3.49Å; E477-R479 PolarHBondContact O-N 3.29Å |
| 478 | I | 87 | Confident | 88.7 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 16% | 0.164 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 105.6 | 169.6 | -54.7 | -175.3 | 0 | 0 | 0 | 108 | S436 G437 Q469 L470 V471 E481 | S436-I478 WeakPolarHBondContact O-CD1 3.45Å; G437-I478 VanDerWaalsContact C-CD1 3.44Å; G437-I478 WeakPolarHBondContact O-CD1 3.22Å; Q469-I478 HydrophobicContact CB-CG2 4.33Å; L470-I478 CarbonylContact O-C 3.58Å; L470-I478 WeakPolarHBondContact O-CA 3.38Å; V471-I478 HydrophobicContact CG2-CG1 4.31Å; I478-E481 HydrophobicContact CG2-CG 3.71Å |
| 479 | R | 87.6 | Confident | 88.7 | Confident | 145 Ų | 145 | 49 Ų | 49 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | -40.1 | -178.6 | -71.6 | -162.8 | 174.8 | -166.6 | -2.7 | 112.5 | L458 L470 D472 E477 | L458-R479 HydrophobicContact CD1-CG 4.35Å; L470-R479 PolarHBondContact O-N 2.85Å; D472-R479 HydrophobicContact CB-CG 4.02Å; D472-R479 IonicContact OD2-CZ 3.08Å; D472-R479 IonicContact OD2-NE 2.86Å; D472-R479 PolarHBondContact OD2-NE 3.08Å; D472-R479 VanDerWaalsContact OD2-NE 3.09Å; D472-R479 IonicContact OD2-NH2 3.74Å; D472-R479 PolarHBondContact OD2-NH2 3.17Å; E477-R479 PolarHBondContact O-N 3.29Å |
| 480 | R | 88.2 | Confident | 88.7 | Confident | 151 Ų | 151 | 54.9 Ų | 54.9 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 150.7 | -176.7 | -68.2 | -64.8 | -173.3 | -138.5 | 3.9 | 111 | L470 F482 | L470-R480 HydrophobicContact CB-CB 4.34Å; L470-R480 HydrophobicContact CD1-CB 4.21Å; L470-R480 HydrophobicContact CG-CB 4.42Å; L470-R480 PolarHBondContact N-O 3.49Å; R480-F482 HydrophobicContact CB-CD2 4.23Å; R480-F482 HydrophobicContact CB-CE2 3.45Å; R480-F482 VanDerWaalsContact CB-CE2 3.45Å; R480-F482 HydrophobicContact CB-CZ 3.75Å; R480-F482 HydrophobicContact CG-CE2 4.15Å; R480-F482 HydrophobicContact CG-CZ 3.99Å |
| 481 | E | 88.9 | Confident | 88.7 | Confident | 99 Ų | 99 | 55 Ų | 55 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.1 | 172.3 | -56.9 | -169.4 | 147.5 | 0 | 0 | 108.4 | L467 Q469 I478 | L467-E481 HydrophobicContact CD1-CB 4.24Å; Q469-E481 HydrophobicContact CG-CG 4.09Å; Q469-E481 PolarHBondContact NE2-OE1 3.17Å; I478-E481 HydrophobicContact CG2-CG 3.71Å |
| 482 | F | 90.5 | Very high | 88.8 | Confident | 25 Ų | 25 | 55 Ų | 55 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 114.1 | 180 | -57.4 | -83.7 | 0 | 0 | 0 | 109.9 | I468 L470 R480 I484 T522 L524 | I468-F482 PolarHBondContact N-O 3.37Å; I468-F482 PolarHBondContact O-N 2.95Å; L470-F482 HydrophobicContact CD1-CE2 3.83Å; L470-F482 HydrophobicContact CG-CE2 4.14Å; R480-F482 HydrophobicContact CB-CD2 4.23Å; R480-F482 HydrophobicContact CB-CE2 3.45Å; R480-F482 VanDerWaalsContact CB-CE2 3.45Å; R480-F482 HydrophobicContact CB-CZ 3.75Å; R480-F482 HydrophobicContact CG-CE2 4.15Å; R480-F482 HydrophobicContact CG-CZ 3.99Å; F482-I484 HydrophobicContact CB-CD1 3.49Å; F482-I484 VanDerWaalsContact CB-CD1 3.49Å; F482-I484 HydrophobicContact CB-CG1 3.52Å; F482-I484 HydrophobicContact CG-CD1 4.31Å; F482-I484 PolarHBondContact O-N 2.78Å; F482-I484 VanDerWaalsContact O-N 3.1Å; F482-T522 HydrophobicContact CD1-CG2 4.49Å; F482-L524 HydrophobicContact CD2-CD2 4.32Å; F482-L524 HydrophobicContact CE2-CD2 3.65Å; F482-L524 HydrophobicContact CZ-CB 4.48Å; F482-L524 HydrophobicContact CZ-CD2 3.99Å |
| 483 | S | 89.1 | Confident | 89.1 | Confident | 105 Ų | 105 | 55.9 Ų | 55.9 | 73% | 0.734 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 86.3 | 169.3 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | ||
| 484 | I | 89.4 | Confident | 89.4 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | trans | -94.2 | -45.4 | -168.5 | -67.9 | 162.5 | 0 | 0 | 0 | 111.5 | G466 I468 F482 I500 L520 T522 I529 | G466-I484 PolarHBondContact O-N 3.05Å; I468-I484 HydrophobicContact CB-CD1 4.01Å; I468-I484 HydrophobicContact CD1-CD1 3.69Å; I468-I484 HydrophobicContact CG1-CD1 3.96Å; F482-I484 HydrophobicContact CB-CD1 3.49Å; F482-I484 VanDerWaalsContact CB-CD1 3.49Å; F482-I484 HydrophobicContact CB-CG1 3.52Å; F482-I484 HydrophobicContact CG-CD1 4.31Å; F482-I484 PolarHBondContact O-N 2.78Å; F482-I484 VanDerWaalsContact O-N 3.1Å; I484-I500 HydrophobicContact CD1-CD1 4.07Å; I484-L520 HydrophobicContact CG2-CB 4.01Å; I484-L520 HydrophobicContact CG2-CD1 3.45Å; I484-L520 VanDerWaalsContact CG2-CD1 3.45Å; I484-L520 HydrophobicContact CG2-CG 4.35Å; I484-L520 WeakPolarHBondContact O-CD1 3.48Å; I484-T522 HydrophobicContact CD1-CG2 4.05Å; I484-T522 WeakPolarHBondContact CD1-OG1 3.28Å; I484-T522 HydrophobicContact CG1-CG2 4.49Å; I484-I529 HydrophobicContact CB-CD1 4.38Å; I484-I529 HydrophobicContact CG1-CD1 3.96Å; I484-I529 HydrophobicContact CG2-CD1 4.4Å; I484-I529 HydrophobicContact CG2-CG2 4.42Å | ||
| 485 | H | 90.8 | Very high | 89.8 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | trans | -103.9 | 152.6 | -173.9 | -73.2 | -78.7 | 0 | 0 | 0 | 111.8 | G466 C487 S502 G504 E518 | G466-H485 WeakPolarHBondContact CA-O 3.39Å; G466-H485 PolarHBondContact O-N 2.95Å; H485-C487 VanDerWaalsContact C-N 3.28Å; H485-C487 VanDerWaalsContact CB-O 3.29Å; H485-C487 WeakPolarHBondContact CB-O 3.29Å; H485-S502 VanDerWaalsContact NE2-CB 3.32Å; H485-S502 WeakPolarHBondContact NE2-CB 3.41Å; H485-S502 PolarHBondContact NE2-OG 3.48Å; H485-G504 PolarHBondContact CE1-N 3.47Å; H485-E518 IonicContact CE1-OE2 2.73Å; H485-E518 IonicContact CG-OE2 3.03Å; H485-E518 IonicContact ND1-OE2 3.34Å; H485-E518 PolarHBondContact ND1-OE2 3.39Å | ||
| 486 | S | 86.4 | Confident | 90.1 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 70% | 0.699 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -86.6 | -4.5 | 168.9 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | E518 | S486-E518 PolarHBondContact N-OE2 2.82Å; S486-E518 PolarHBondContact OG-OE1 3.32Å |
| 487 | C | 89.1 | Confident | 90.2 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -139.9 | 170.2 | -170.1 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | G466 H485 V489 G504 C505 E518 | G466-C487 WeakPolarHBondContact CA-O 3.32Å; G466-C487 PolarHBondContact N-O 3.36Å; H485-C487 VanDerWaalsContact C-N 3.28Å; H485-C487 VanDerWaalsContact CB-O 3.29Å; H485-C487 WeakPolarHBondContact CB-O 3.29Å; C487-V489 PolarHBondContact O-N 2.89Å; C487-G504 VanDerWaalsContact SG-CA 3.57Å; C487-C505 PolarHBondContact SG-N 3.43Å; C487-E518 PolarHBondContact SG-OE2 3.24Å; C487-E518 VanDerWaalsContact SG-OE2 3.36Å |
| 488 | P | 90.7 | Very high | 90.3 | Very high | 45 Ų | 45 | 48.9 Ų | 48.9 | 29% | 0.292 | 25% | 0.25 | S | C | . | . | trans | -56.1 | 132.1 | -178.4 | -25.2 | 32.1 | 0 | 0 | 0 | 113.5 | L464 R490 G504 | L464-P488 HydrophobicContact CB-CB 4.36Å; L464-P488 HydrophobicContact CD2-CB 3.9Å; L464-P488 WeakPolarHBondContact O-CA 3.32Å; L464-P488 WeakPolarHBondContact O-CB 3.31Å; L464-P488 VanDerWaalsContact O-CG 3.24Å; L464-P488 WeakPolarHBondContact O-CG 3.35Å; P488-R490 WeakPolarHBondContact O-CG 3.27Å; P488-R490 PolarHBondContact O-N 3.12Å; P488-G504 WeakPolarHBondContact O-CA 3.48Å | ||
| 489 | V | 93.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 117.5 | 171.9 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | S443 I444 H463 I468 C487 | S443-V489 PolarHBondContact OG-O 2.59Å; I444-V489 HydrophobicContact CG2-CG1 4.14Å; H463-V489 WeakPolarHBondContact O-CG2 3.36Å; H463-V489 PolarHBondContact O-N 3.37Å; I468-V489 HydrophobicContact CD1-CG1 4.22Å; I468-V489 HydrophobicContact CD1-CG2 4.37Å; I468-V489 HydrophobicContact CG1-CG1 4.49Å; I468-V489 HydrophobicContact CG1-CG2 3.99Å; C487-V489 PolarHBondContact O-N 2.89Å |
| 490 | R | 92 | Very high | 91 | Very high | 126 Ų | 126 | 42.7 Ų | 42.7 | 48% | 0.475 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | -39.9 | -176.1 | -62.8 | -62.8 | -71.2 | -117.3 | -3.6 | 112.6 | I444 P488 S503 | I444-R490 WeakPolarHBondContact CD1-O 3.21Å; P488-R490 WeakPolarHBondContact O-CG 3.27Å; P488-R490 PolarHBondContact O-N 3.12Å; R490-S503 PolarHBondContact N-O 2.96Å |
| 491 | C | 94.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 5% | 0.054 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 144.2 | 178.2 | -52.6 | 0 | 0 | 0 | 0 | 109.4 | S502 S503 E542 L544 | C491-S502 WeakPolarHBondContact O-CA 3.24Å; C491-S503 PolarHBondContact N-O 3.5Å; C491-S503 PolarHBondContact O-N 3.21Å; C491-E542 PolarHBondContact SG-O 2.68Å; C491-L544 HydrophobicContact CB-CB 4.32Å; C491-L544 HydrophobicContact CB-CD1 3.6Å; C491-L544 HydrophobicContact CB-CG 3.69Å |
| 492 | L | 95.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 129.9 | 179.2 | -178 | 56.4 | 0 | 0 | 0 | 107.2 | I444 R446 A460 I468 I500 | I444-L492 HydrophobicContact CD1-CB 4.31Å; I444-L492 HydrophobicContact CG2-CB 4.08Å; I444-L492 HydrophobicContact CG2-CD2 4.28Å; R446-L492 HydrophobicContact CB-CD2 4.43Å; R446-L492 HydrophobicContact CB-CG 4.38Å; R446-L492 HydrophobicContact CG-CB 4.16Å; R446-L492 HydrophobicContact CG-CD2 4.47Å; R446-L492 HydrophobicContact CG-CG 4.17Å; R446-L492 VanDerWaalsContact CG-O 3.26Å; R446-L492 WeakPolarHBondContact CG-O 2.97Å; R446-L492 PolarHBondContact NE-O 3.08Å; A460-L492 HydrophobicContact CB-CD2 3.7Å; A460-L492 HydrophobicContact CB-CG 4.42Å; I468-L492 HydrophobicContact CD1-CD1 3.9Å; I468-L492 HydrophobicContact CG2-CD2 4.45Å; L492-I500 HydrophobicContact CD1-CB 4.37Å; L492-I500 HydrophobicContact CD1-CD1 4.37Å |
| 493 | E | 95.3 | Very high | 91.9 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 15% | 0.154 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 146.6 | 175 | -70.7 | -62.1 | 161.8 | 0 | 0 | 109.6 | R446 V501 L544 R545 V546 | R446-E493 IonicContact NE-OE1 2.69Å; R446-E493 PolarHBondContact NE-OE1 3.34Å; R446-E493 IonicContact NH2-OE1 2.75Å; E493-V501 PolarHBondContact N-O 2.92Å; E493-V501 PolarHBondContact O-N 3.13Å; E493-L544 HydrophobicContact CG-CB 4.03Å; E493-L544 WeakPolarHBondContact CG-O 3.29Å; E493-R545 IonicContact OE1-NH1 3.88Å; E493-R545 PolarHBondContact OE1-NH1 3.3Å; E493-V546 HydrophobicContact CB-CG2 3.9Å |
| 494 | W | 94.1 | Very high | 92 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 4% | 0.038 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 139.1 | 175.9 | -68.4 | 90 | 0 | 0 | 0 | 110.5 | R446 M447 C448 P449 F451 L458 A460 L470 I500 L524 V546 | R446-W494 PolarHBondContact O-NE1 2.98Å; R446-W494 VanDerWaalsContact O-NE1 3.08Å; M447-W494 VanDerWaalsContact O-CD1 3.25Å; M447-W494 PolarHBondContact O-NE1 2.94Å; C448-W494 HydrophobicContact CB-CD2 4.08Å; C448-W494 HydrophobicContact CB-CE3 4.33Å; C448-W494 HydrophobicContact CB-CH2 4.05Å; C448-W494 HydrophobicContact CB-CZ2 3.75Å; C448-W494 HydrophobicContact CB-CZ3 4.31Å; P449-W494 HydrophobicContact CG-CB 4.32Å; F451-W494 HydrophobicContact CE2-CB 4.3Å; F451-W494 HydrophobicContact CZ-CB 4.07Å; L458-W494 HydrophobicContact CD2-CH2 3.61Å; L458-W494 HydrophobicContact CD2-CZ2 4.5Å; L458-W494 HydrophobicContact CD2-CZ3 4.25Å; L458-W494 HydrophobicContact CG-CH2 4.09Å; A460-W494 HydrophobicContact CB-CH2 4.39Å; A460-W494 HydrophobicContact CB-CZ2 3.57Å; L470-W494 HydrophobicContact CD2-CH2 3.83Å; L470-W494 HydrophobicContact CD2-CZ2 4.2Å; W494-I500 HydrophobicContact CD2-CG2 3.94Å; W494-I500 HydrophobicContact CE3-CG2 3.63Å; W494-I500 HydrophobicContact CH2-CG2 4.3Å; W494-I500 HydrophobicContact CZ3-CG2 3.84Å; W494-L524 HydrophobicContact CE3-CD1 4.46Å; W494-L524 HydrophobicContact CH2-CD1 4.11Å; W494-L524 HydrophobicContact CZ3-CD1 3.53Å; W494-V546 WeakPolarHBondContact O-CB 3.47Å; W494-V546 WeakPolarHBondContact O-CG2 3.49Å |
| 495 | S | 91.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 25 Ų | 25 | 5% | 0.049 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -124.9 | 42.5 | 175.9 | 67.7 | 0 | 0 | 0 | 0 | 112 | H499 F521 | S495-H499 PolarHBondContact N-O 3.44Å; S495-H499 VanDerWaalsContact OG-CB 3.24Å; S495-H499 WeakPolarHBondContact OG-CB 3.17Å; S495-H499 PolarHBondContact OG-O 3.27Å; S495-F521 VanDerWaalsContact OG-CE2 3.25Å; S495-F521 WeakPolarHBondContact OG-CE2 3.14Å |
| 496 | G | 88.7 | Confident | 91.6 | Very high | 13 Ų | 13 | 26.3 Ų | 26.3 | 13% | 0.134 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 124.2 | 171.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F451 D498 | F451-G496 VanDerWaalsContact CD2-C 3.44Å; F451-G496 VanDerWaalsContact CE2-O 3.25Å; F451-G496 WeakPolarHBondContact CE2-O 3.32Å; G496-D498 PolarHBondContact O-N 3.12Å |
| 497 | S | 85.7 | Confident | 91.1 | Very high | 43 Ų | 43 | 28 Ų | 28 | 30% | 0.301 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -26.5 | 179.3 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | F451 | F451-S497 VanDerWaalsContact CD2-N 3.27Š|
| 498 | D | 88.8 | Confident | 89.9 | Confident | 46 Ų | 46 | 29.6 Ų | 29.6 | 25% | 0.246 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | 12.6 | -174.5 | -59.2 | -59.6 | 0 | 0 | 0 | 113.7 | G496 L524 R525 | G496-D498 PolarHBondContact O-N 3.12Å; D498-L524 VanDerWaalsContact O-CB 3.32Å; D498-L524 WeakPolarHBondContact O-CB 3.36Å; D498-L524 WeakPolarHBondContact O-CG 3.29Å; D498-L524 PolarHBondContact O-N 3.09Å; D498-R525 HydrophobicContact CB-CG 4.17Å; D498-R525 IonicContact OD1-NE 3.48Å; D498-R525 IonicContact OD2-CZ 3.85Å; D498-R525 IonicContact OD2-NE 2.73Å; D498-R525 PolarHBondContact OD2-NE 2.83Å; D498-R525 IonicContact OD2-NH2 3.78Å; D498-R525 PolarHBondContact OD2-NH2 2.76Å |
| 499 | H | 92.9 | Very high | 88.6 | Confident | 46 Ų | 46 | 35 Ų | 35 | 21% | 0.213 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 137.2 | -175 | -56.4 | -56.7 | 0 | 0 | 0 | 111.5 | S495 F521 T522 D523 | S495-H499 PolarHBondContact N-O 3.44Å; S495-H499 VanDerWaalsContact OG-CB 3.24Å; S495-H499 WeakPolarHBondContact OG-CB 3.17Å; S495-H499 PolarHBondContact OG-O 3.27Å; H499-F521 HydrophobicContact CB-CE1 4.31Å; H499-F521 HydrophobicContact CB-CE2 3.99Å; H499-F521 HydrophobicContact CB-CZ 3.59Å; H499-F521 AromaticContact CG-CZ 3.52Å; H499-F521 AromaticContact ND1-CE1 3.79Å; H499-F521 AromaticContact ND1-CZ 3.67Å; H499-T522 WeakPolarHBondContact CA-O 3.36Å; H499-D523 IonicContact CE1-OD2 3.77Å; H499-D523 PolarHBondContact CE1-OD2 2.88Å; H499-D523 VanDerWaalsContact CE1-OD2 3.28Å; H499-D523 IonicContact ND1-OD2 3.15Å |
| 500 | I | 95.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.7 | 174.8 | 60.6 | 173.4 | 0 | 0 | 0 | 110.6 | I468 I484 L492 W494 T522 L524 | I468-I500 HydrophobicContact CD1-CD1 4.1Å; I468-I500 HydrophobicContact CG2-CD1 4.02Å; I484-I500 HydrophobicContact CD1-CD1 4.07Å; L492-I500 HydrophobicContact CD1-CB 4.37Å; L492-I500 HydrophobicContact CD1-CD1 4.37Å; W494-I500 HydrophobicContact CD2-CG2 3.94Å; W494-I500 HydrophobicContact CE3-CG2 3.63Å; W494-I500 HydrophobicContact CH2-CG2 4.3Å; W494-I500 HydrophobicContact CZ3-CG2 3.84Å; I500-T522 PolarHBondContact N-O 3.08Å; I500-T522 PolarHBondContact O-N 3.07Å; I500-L524 HydrophobicContact CD1-CD2 3.9Å; I500-L524 HydrophobicContact CG1-CD2 3.88Å; I500-L524 HydrophobicContact CG2-CD1 4.18Å; I500-L524 HydrophobicContact CG2-CD2 4.29Å |
| 501 | V | 96.1 | Very high | 86 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | E493 L519 L520 F521 L532 L544 L553 L567 | E493-V501 PolarHBondContact N-O 2.92Å; E493-V501 PolarHBondContact O-N 3.13Å; V501-L519 HydrophobicContact CG1-CD1 3.9Å; V501-L520 WeakPolarHBondContact CA-O 3.26Å; V501-F521 HydrophobicContact CG2-CD2 3.83Å; V501-L532 HydrophobicContact CG1-CD1 3.61Å; V501-L532 HydrophobicContact CG2-CD1 4.27Å; V501-L544 HydrophobicContact CG1-CD1 4.07Å; V501-L553 HydrophobicContact CG1-CD1 4.38Å; V501-L553 HydrophobicContact CG1-CD2 3.98Å; V501-L567 HydrophobicContact CG2-CD2 4.08Å |
| 502 | S | 96 | Very high | 84.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 148.7 | -179.2 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | H485 C491 L520 | H485-S502 VanDerWaalsContact NE2-CB 3.32Å; H485-S502 WeakPolarHBondContact NE2-CB 3.41Å; H485-S502 PolarHBondContact NE2-OG 3.48Å; C491-S502 WeakPolarHBondContact O-CA 3.24Å; S502-L520 PolarHBondContact N-O 2.59Å; S502-L520 PolarHBondContact O-N 3.27Å |
| 503 | S | 94.7 | Very high | 84 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 139.3 | 173.6 | -176.7 | 0 | 0 | 0 | 0 | 112 | R490 C491 E518 | R490-S503 PolarHBondContact N-O 2.96Å; C491-S503 PolarHBondContact N-O 3.5Å; C491-S503 PolarHBondContact O-N 3.21Å; S503-E518 WeakPolarHBondContact CA-O 3.32Å; S503-E518 WeakPolarHBondContact CB-O 3.26Å; S503-E518 PolarHBondContact OG-O 3.38Å |
| 504 | G | 91.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 165.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | H485 C487 P488 E518 | H485-G504 PolarHBondContact CE1-N 3.47Å; C487-G504 VanDerWaalsContact SG-CA 3.57Å; P488-G504 WeakPolarHBondContact O-CA 3.48Å; G504-E518 PolarHBondContact N-O 2.98Å; G504-E518 PolarHBondContact O-N 3.28Å |
| 505 | C | 87.2 | Confident | 83 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 124.9 | -179.1 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | C487 V515 R516 | C487-C505 PolarHBondContact SG-N 3.43Å; C505-V515 WeakPolarHBondContact SG-CB 3.21Å; C505-V515 WeakPolarHBondContact SG-CG2 3.41Å; C505-R516 WeakPolarHBondContact CA-O 3.37Å |
| 506 | S | 84.1 | Confident | 82.8 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 130.8 | 170.5 | 59.4 | 0 | 0 | 0 | 0 | 110.3 | R516 | S506-R516 PolarHBondContact N-O 2.91Å; S506-R516 PolarHBondContact O-N 2.97Å |
| 507 | Q | 75.3 | Confident | 82.9 | Confident | 137 Ų | 137 | 51.4 Ų | 51.4 | 64% | 0.64 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.6 | 174 | -75.7 | -178.2 | -9.9 | 0 | 0 | 109.4 | F509 V515 | Q507-F509 VanDerWaalsContact C-N 3.35Å; Q507-V515 HydrophobicContact CG-CG1 4.16Å |
| 508 | S | 64.5 | Low | 83.2 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -67.4 | -36.7 | 176.4 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 509 | F | 63.8 | Low | 83.4 | Confident | 158 Ų | 158 | 48.3 Ų | 48.3 | 69% | 0.693 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -152.7 | 147.6 | 176.3 | -65.7 | -81 | 0 | 0 | 0 | 110.1 | Q507 S511 S512 | Q507-F509 VanDerWaalsContact C-N 3.35Å; F509-S511 PolarHBondContact O-N 3.25Å; F509-S512 PolarHBondContact O-N 3.43Å |
| 510 | S | 63.7 | Low | 83.5 | Confident | 116 Ų | 116 | 47 Ų | 47 | 81% | 0.811 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.9 | -172 | 58.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 511 | S | 66.5 | Low | 83.5 | Confident | 110 Ų | 110 | 48.2 Ų | 48.2 | 77% | 0.769 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | -1.6 | 178.6 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | F509 | F509-S511 PolarHBondContact O-N 3.25Š|
| 512 | S | 70.8 | Confident | 83.4 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | trans | -76.4 | 131.2 | -178.2 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | F509 V514 | F509-S512 PolarHBondContact O-N 3.43Å; S512-V514 PolarHBondContact O-N 2.99Å; S512-V514 WeakPolarHBondContact OG-CA 3.15Å; S512-V514 PolarHBondContact OG-N 3.33Å; S512-V514 PolarHBondContact OG-O 3.39Å | ||
| 513 | T | 77.5 | Confident | 83.3 | Confident | 92 Ų | 92 | 50 Ų | 50 | 56% | 0.564 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -75.5 | -8.9 | 168.8 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 514 | V | 82.1 | Confident | 83.1 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 33% | 0.327 | 28% | 0.282 | S | S | . | . | trans | -106.3 | 133.9 | -175.6 | -168 | 0 | 0 | 0 | 0 | 108.7 | S512 D537 E538 | S512-V514 PolarHBondContact O-N 2.99Å; S512-V514 WeakPolarHBondContact OG-CA 3.15Å; S512-V514 PolarHBondContact OG-N 3.33Å; S512-V514 PolarHBondContact OG-O 3.39Å; V514-D537 HydrophobicContact CG1-CB 3.59Å; V514-E538 CarbonylContact C-O 3.47Å; V514-E538 VanDerWaalsContact CA-O 3.32Å; V514-E538 WeakPolarHBondContact CA-O 3.39Å | ||
| 515 | V | 86.6 | Confident | 83 | Confident | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 163.4 | -173.6 | -60.7 | 0 | 0 | 0 | 0 | 110.2 | C505 Q507 E538 P540 | C505-V515 WeakPolarHBondContact SG-CB 3.21Å; C505-V515 WeakPolarHBondContact SG-CG2 3.41Å; Q507-V515 HydrophobicContact CG-CG1 4.16Å; V515-E538 WeakPolarHBondContact CG2-O 3.45Å; V515-E538 PolarHBondContact N-O 3Å; V515-E538 PolarHBondContact O-N 2.86Å; V515-P540 VanDerWaalsContact CG2-CA 3.5Å; V515-P540 HydrophobicContact CG2-CB 3.84Å; V515-P540 HydrophobicContact CG2-CG 4.34Å |
| 516 | R | 87.6 | Confident | 83.1 | Confident | 118 Ų | 118 | 61.7 Ų | 61.7 | 45% | 0.445 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 116.8 | 167.2 | -69.7 | -174.3 | -169.9 | 158.1 | 3.3 | 109.6 | C505 S506 D537 | C505-R516 WeakPolarHBondContact CA-O 3.37Å; S506-R516 PolarHBondContact N-O 2.91Å; S506-R516 PolarHBondContact O-N 2.97Å; R516-D537 WeakPolarHBondContact CG-OD1 3.45Å; R516-D537 IonicContact NE-OD1 3.58Å |
| 517 | N | 90.1 | Very high | 83.3 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 126.1 | 175 | -66.2 | -47 | 0 | 0 | 0 | 110 | E538 S539 P540 I541 | N517-E538 WeakPolarHBondContact ND2-CG 3.38Å; N517-E538 PolarHBondContact ND2-OE1 3.2Å; N517-S539 PolarHBondContact ND2-O 3.22Å; N517-P540 WeakPolarHBondContact OD1-CA 3.48Å; N517-I541 HydrophobicContact CB-CD1 3.78Å; N517-I541 HydrophobicContact CB-CG1 4.06Å; N517-I541 PolarHBondContact OD1-N 3.47Å; N517-I541 VanDerWaalsContact OD1-N 3.14Å |
| 518 | E | 91.3 | Very high | 84.1 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 128.6 | 166.7 | -66.5 | 176.3 | -175.8 | 0 | 0 | 107.9 | H485 S486 C487 S503 G504 | H485-E518 IonicContact CE1-OE2 2.73Å; H485-E518 IonicContact CG-OE2 3.03Å; H485-E518 IonicContact ND1-OE2 3.34Å; H485-E518 PolarHBondContact ND1-OE2 3.39Å; S486-E518 PolarHBondContact N-OE2 2.82Å; S486-E518 PolarHBondContact OG-OE1 3.32Å; C487-E518 PolarHBondContact SG-OE2 3.24Å; C487-E518 VanDerWaalsContact SG-OE2 3.36Å; S503-E518 WeakPolarHBondContact CA-O 3.32Å; S503-E518 WeakPolarHBondContact CB-O 3.26Å; S503-E518 PolarHBondContact OG-O 3.38Å; G504-E518 PolarHBondContact N-O 2.98Å; G504-E518 PolarHBondContact O-N 3.28Å |
| 519 | L | 93.9 | Very high | 85.4 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 111.5 | 174.5 | -176.8 | 70.5 | 0 | 0 | 0 | 109.6 | V501 L532 R533 I541 L544 L553 I555 | V501-L519 HydrophobicContact CG1-CD1 3.9Å; L519-L532 HydrophobicContact CB-CB 4.49Å; L519-L532 HydrophobicContact CD1-CD1 4.41Å; L519-L532 HydrophobicContact CD2-CB 3.85Å; L519-L532 HydrophobicContact CD2-CD1 4.03Å; L519-L532 HydrophobicContact CG-CB 3.93Å; L519-L532 HydrophobicContact CG-CD1 3.82Å; L519-L532 HydrophobicContact CG-CG 4.43Å; L519-L532 PolarHBondContact O-N 2.84Å; L519-R533 HydrophobicContact CB-CB 4.36Å; L519-R533 HydrophobicContact CD2-CB 4.14Å; L519-I541 HydrophobicContact CB-CD1 4.49Å; L519-L544 HydrophobicContact CD1-CD1 3.73Å; L519-L544 HydrophobicContact CD1-CD2 3.88Å; L519-L544 HydrophobicContact CD1-CG 4.47Å; L519-L553 HydrophobicContact CD2-CD2 4.16Å; L519-I555 HydrophobicContact CD2-CD1 3.42Å; L519-I555 VanDerWaalsContact CD2-CD1 3.42Å; L519-I555 HydrophobicContact CD2-CG1 4.35Å |
| 520 | L | 94.6 | Very high | 86.7 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.5 | -167.3 | -58.8 | 178.3 | 0 | 0 | 0 | 110.2 | I484 V501 S502 I529 K530 V531 | I484-L520 HydrophobicContact CG2-CB 4.01Å; I484-L520 HydrophobicContact CG2-CD1 3.45Å; I484-L520 VanDerWaalsContact CG2-CD1 3.45Å; I484-L520 HydrophobicContact CG2-CG 4.35Å; I484-L520 WeakPolarHBondContact O-CD1 3.48Å; V501-L520 WeakPolarHBondContact CA-O 3.26Å; S502-L520 PolarHBondContact N-O 2.59Å; S502-L520 PolarHBondContact O-N 3.27Å; L520-I529 HydrophobicContact CB-CG2 4.06Å; L520-I529 HydrophobicContact CD1-CG2 4.15Å; L520-I529 HydrophobicContact CD2-CG2 4.19Å; L520-I529 HydrophobicContact CG-CG2 4.35Å; L520-K530 WeakPolarHBondContact CA-O 3.23Å; L520-V531 HydrophobicContact CD2-CB 4.25Å; L520-V531 HydrophobicContact CD2-CG2 3.73Å |
| 521 | F | 95.1 | Very high | 88.1 | Confident | 27 Ų | 27 | 58 Ų | 58 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.3 | 169.4 | 178.9 | -82.6 | 0 | 0 | 0 | 108 | S495 H499 V501 K530 L532 L567 F570 | S495-F521 VanDerWaalsContact OG-CE2 3.25Å; S495-F521 WeakPolarHBondContact OG-CE2 3.14Å; H499-F521 HydrophobicContact CB-CE1 4.31Å; H499-F521 HydrophobicContact CB-CE2 3.99Å; H499-F521 HydrophobicContact CB-CZ 3.59Å; H499-F521 AromaticContact CG-CZ 3.52Å; H499-F521 AromaticContact ND1-CE1 3.79Å; H499-F521 AromaticContact ND1-CZ 3.67Å; V501-F521 HydrophobicContact CG2-CD2 3.83Å; F521-K530 PolarHBondContact N-O 3.35Å; F521-K530 PolarHBondContact O-N 2.87Å; F521-L532 HydrophobicContact CB-CD1 3.99Å; F521-L532 HydrophobicContact CB-CD2 3.85Å; F521-L532 HydrophobicContact CB-CG 3.76Å; F521-L567 HydrophobicContact CD2-CD2 4.39Å; F521-F570 HydrophobicContact CB-CE1 4.2Å; F521-F570 HydrophobicContact CD1-CE1 4.34Å; F521-F570 HydrophobicContact CD1-CZ 4.05Å; F521-F570 AromaticContact CD2-CE1 3.93Å; F521-F570 HydrophobicContact CD2-CE1 3.93Å; F521-F570 HydrophobicContact CD2-CZ 4.38Å; F521-F570 HydrophobicContact CE1-CZ 4.32Å; F521-F570 HydrophobicContact CE2-CE1 4.38Å; F521-F570 AromaticContact CG-CE1 3.9Å; F521-F570 HydrophobicContact CG-CE1 3.9Å; F521-F570 HydrophobicContact CG-CZ 4.08Å |
| 522 | T | 95.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.3 | -177.2 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | F482 I484 H499 I500 I529 | F482-T522 HydrophobicContact CD1-CG2 4.49Å; I484-T522 HydrophobicContact CD1-CG2 4.05Å; I484-T522 WeakPolarHBondContact CD1-OG1 3.28Å; I484-T522 HydrophobicContact CG1-CG2 4.49Å; H499-T522 WeakPolarHBondContact CA-O 3.36Å; I500-T522 PolarHBondContact N-O 3.08Å; I500-T522 PolarHBondContact O-N 3.07Å; T522-I529 HydrophobicContact CG2-CG1 4.06Å |
| 523 | D | 93 | Very high | 89.8 | Confident | 37 Ų | 37 | 51.9 Ų | 51.9 | 20% | 0.198 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.1 | 169.4 | 180 | -52.1 | 0 | 0 | 0 | 109.4 | H499 R525 S526 G527 Y528 | H499-D523 IonicContact CE1-OD2 3.77Å; H499-D523 PolarHBondContact CE1-OD2 2.88Å; H499-D523 VanDerWaalsContact CE1-OD2 3.28Å; H499-D523 IonicContact ND1-OD2 3.15Å; D523-R525 VanDerWaalsContact C-N 3.33Å; D523-R525 PolarHBondContact O-N 3.09Å; D523-R525 PolarHBondContact OD1-N 3.11Å; D523-S526 WeakPolarHBondContact CB-OG 3.39Å; D523-S526 PolarHBondContact OD1-N 3.4Å; D523-S526 PolarHBondContact OD1-OG 3.09Å; D523-G527 WeakPolarHBondContact O-CA 3.45Å; D523-G527 PolarHBondContact O-N 2.97Å; D523-Y528 PolarHBondContact N-O 2.86Å |
| 524 | L | 91 | Very high | 89.9 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -23 | -172.7 | -58.9 | -178.3 | 0 | 0 | 0 | 113.3 | L470 F482 W494 D498 I500 | L470-L524 HydrophobicContact CD1-CB 4.48Å; L470-L524 HydrophobicContact CD1-CD1 3.66Å; L470-L524 HydrophobicContact CD1-CD2 3.8Å; L470-L524 HydrophobicContact CD1-CG 4.17Å; F482-L524 HydrophobicContact CD2-CD2 4.32Å; F482-L524 HydrophobicContact CE2-CD2 3.65Å; F482-L524 HydrophobicContact CZ-CB 4.48Å; F482-L524 HydrophobicContact CZ-CD2 3.99Å; W494-L524 HydrophobicContact CE3-CD1 4.46Å; W494-L524 HydrophobicContact CH2-CD1 4.11Å; W494-L524 HydrophobicContact CZ3-CD1 3.53Å; D498-L524 VanDerWaalsContact O-CB 3.32Å; D498-L524 WeakPolarHBondContact O-CB 3.36Å; D498-L524 WeakPolarHBondContact O-CG 3.29Å; D498-L524 PolarHBondContact O-N 3.09Å; I500-L524 HydrophobicContact CD1-CD2 3.9Å; I500-L524 HydrophobicContact CG1-CD2 3.88Å; I500-L524 HydrophobicContact CG2-CD1 4.18Å; I500-L524 HydrophobicContact CG2-CD2 4.29Å |
| 525 | R | 89.1 | Confident | 89.7 | Confident | 177 Ų | 177 | 54.3 Ų | 54.3 | 67% | 0.668 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -44.2 | -179.7 | -75.1 | -176.2 | -90.5 | 175.9 | -20.1 | 111.3 | D498 D523 | D498-R525 HydrophobicContact CB-CG 4.17Å; D498-R525 IonicContact OD1-NE 3.48Å; D498-R525 IonicContact OD2-CZ 3.85Å; D498-R525 IonicContact OD2-NE 2.73Å; D498-R525 PolarHBondContact OD2-NE 2.83Å; D498-R525 IonicContact OD2-NH2 3.78Å; D498-R525 PolarHBondContact OD2-NH2 2.76Å; D523-R525 VanDerWaalsContact C-N 3.33Å; D523-R525 PolarHBondContact O-N 3.09Å; D523-R525 PolarHBondContact OD1-N 3.11Å |
| 526 | S | 89.1 | Confident | 89.5 | Confident | 79 Ų | 79 | 59 Ų | 59 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -19.5 | -178.3 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | D523 Y528 | D523-S526 WeakPolarHBondContact CB-OG 3.39Å; D523-S526 PolarHBondContact OD1-N 3.4Å; D523-S526 PolarHBondContact OD1-OG 3.09Å; S526-Y528 PolarHBondContact O-N 3.1Å; S526-Y528 VanDerWaalsContact OG-CB 3.31Å; S526-Y528 WeakPolarHBondContact OG-CB 3.36Å; S526-Y528 PolarHBondContact OG-N 2.82Å |
| 527 | G | 88.3 | Confident | 89.2 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | trans | 70 | 9.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D523 I529 | D523-G527 WeakPolarHBondContact O-CA 3.45Å; D523-G527 PolarHBondContact O-N 2.97Å; G527-I529 PolarHBondContact O-N 2.84Å | ||
| 528 | Y | 91.6 | Very high | 89.2 | Confident | 150 Ų | 150 | 58.4 Ų | 58.4 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | trans | -72.7 | 126.1 | -179.4 | -176 | -99 | 0 | 0 | 0 | 110.7 | D523 S526 K530 | D523-Y528 PolarHBondContact N-O 2.86Å; S526-Y528 PolarHBondContact O-N 3.1Å; S526-Y528 VanDerWaalsContact OG-CB 3.31Å; S526-Y528 WeakPolarHBondContact OG-CB 3.36Å; S526-Y528 PolarHBondContact OG-N 2.82Å; Y528-K530 HydrophobicContact CD1-CB 4.49Å; Y528-K530 HydrophobicContact CE1-CB 3.95Å; Y528-K530 HydrophobicContact CE1-CD 4.44Å; Y528-K530 HydrophobicContact CE1-CG 4.48Å | ||
| 529 | I | 92.6 | Very high | 89.1 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129 | 179.4 | -57.2 | 168.6 | 0 | 0 | 0 | 108.6 | I484 L520 T522 G527 | I484-I529 HydrophobicContact CB-CD1 4.38Å; I484-I529 HydrophobicContact CG1-CD1 3.96Å; I484-I529 HydrophobicContact CG2-CD1 4.4Å; I484-I529 HydrophobicContact CG2-CG2 4.42Å; L520-I529 HydrophobicContact CB-CG2 4.06Å; L520-I529 HydrophobicContact CD1-CG2 4.15Å; L520-I529 HydrophobicContact CD2-CG2 4.19Å; L520-I529 HydrophobicContact CG-CG2 4.35Å; T522-I529 HydrophobicContact CG2-CG1 4.06Å; G527-I529 PolarHBondContact O-N 2.84Å |
| 530 | K | 92.1 | Very high | 88.9 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.1 | 176.9 | -169.3 | 168.6 | 177.1 | 171.5 | 0 | 111.1 | L520 F521 Y528 L532 F570 | L520-K530 WeakPolarHBondContact CA-O 3.23Å; F521-K530 PolarHBondContact N-O 3.35Å; F521-K530 PolarHBondContact O-N 2.87Å; Y528-K530 HydrophobicContact CD1-CB 4.49Å; Y528-K530 HydrophobicContact CE1-CB 3.95Å; Y528-K530 HydrophobicContact CE1-CD 4.44Å; Y528-K530 HydrophobicContact CE1-CG 4.48Å; K530-L532 PolarHBondContact O-N 2.86Å; K530-F570 HydrophobicContact CD-CD2 3.7Å; K530-F570 HydrophobicContact CD-CE2 3.4Å; K530-F570 VanDerWaalsContact CD-CE2 3.4Å; K530-F570 HydrophobicContact CD-CZ 3.99Å |
| 531 | V | 91.8 | Very high | 88.8 | Confident | 82 Ų | 82 | 57.6 Ų | 57.6 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 116.6 | 171.4 | -176.2 | 0 | 0 | 0 | 0 | 109 | L520 R533 | L520-V531 HydrophobicContact CD2-CB 4.25Å; L520-V531 HydrophobicContact CD2-CG2 3.73Å; V531-R533 WeakPolarHBondContact CG1-O 3.33Å |
| 532 | L | 87.3 | Confident | 88.6 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -75.2 | -38.1 | 178.9 | -76.6 | 175.5 | 0 | 0 | 0 | 112 | V501 L519 F521 K530 L553 W565 L567 F570 | V501-L532 HydrophobicContact CG1-CD1 3.61Å; V501-L532 HydrophobicContact CG2-CD1 4.27Å; L519-L532 HydrophobicContact CB-CB 4.49Å; L519-L532 HydrophobicContact CD1-CD1 4.41Å; L519-L532 HydrophobicContact CD2-CB 3.85Å; L519-L532 HydrophobicContact CD2-CD1 4.03Å; L519-L532 HydrophobicContact CG-CB 3.93Å; L519-L532 HydrophobicContact CG-CD1 3.82Å; L519-L532 HydrophobicContact CG-CG 4.43Å; L519-L532 PolarHBondContact O-N 2.84Å; F521-L532 HydrophobicContact CB-CD1 3.99Å; F521-L532 HydrophobicContact CB-CD2 3.85Å; F521-L532 HydrophobicContact CB-CG 3.76Å; K530-L532 PolarHBondContact O-N 2.86Å; L532-L553 HydrophobicContact CD1-CD2 3.95Å; L532-W565 VanDerWaalsContact O-CZ3 3.24Å; L532-W565 WeakPolarHBondContact O-CZ3 3.48Å; L532-L567 HydrophobicContact CD1-CD2 4.49Å; L532-L567 HydrophobicContact CD2-CD2 4.47Å; L532-F570 HydrophobicContact CD2-CB 4.26Å; L532-F570 HydrophobicContact CD2-CD1 2.93Å; L532-F570 HydrophobicContact CD2-CE1 3.29Å; L532-F570 HydrophobicContact CD2-CG 3.85Å; L532-F570 HydrophobicContact CD2-CZ 4.45Å; L532-F570 HydrophobicContact CG-CD1 4.4Å |
| 533 | R | 86.2 | Confident | 88.5 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 5% | 0.049 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -136.5 | 129.5 | -171.1 | -172.4 | 172.3 | -177.9 | -80.6 | 9 | 109.4 | L519 V531 E538 E563 W565 | L519-R533 HydrophobicContact CB-CB 4.36Å; L519-R533 HydrophobicContact CD2-CB 4.14Å; V531-R533 WeakPolarHBondContact CG1-O 3.33Å; R533-E538 IonicContact CZ-OE1 3.93Å; R533-E538 VanDerWaalsContact CZ-OE1 3.29Å; R533-E538 IonicContact CZ-OE2 3.82Å; R533-E538 IonicContact NH1-OE1 3.12Å; R533-E538 PolarHBondContact NH1-OE1 3.35Å; R533-E538 IonicContact NH1-OE2 2.74Å; R533-E538 PolarHBondContact NH1-OE2 3.29Å; R533-E538 IonicContact NH2-OE1 3.65Å; R533-E538 PolarHBondContact NH2-OE1 3.33Å; R533-E538 IonicContact NH2-OE2 2.85Å; R533-E538 PolarHBondContact NH2-OE2 2.94Å; R533-E563 IonicContact CZ-OE2 2.76Å; R533-E563 IonicContact NE-OE2 3.98Å; R533-E563 PolarHBondContact NE-OE2 3.32Å; R533-E563 IonicContact NH2-OE1 3.44Å; R533-E563 PolarHBondContact NH2-OE1 2.96Å; R533-E563 IonicContact NH2-OE2 3.03Å; R533-W565 HydrophobicContact CB-CH2 4.09Å; R533-W565 HydrophobicContact CB-CZ2 4.16Å; R533-W565 HydrophobicContact CG-CH2 3.89Å; R533-W565 HydrophobicContact CG-CZ2 3.7Å |
| 534 | P | 80.4 | Confident | 88.6 | Confident | 82 Ų | 82 | 60 Ų | 60 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | trans | -60.9 | 141.8 | 176.5 | 23.9 | -31.4 | 0 | 0 | 0 | 110.5 | Q536 | P534-Q536 PolarHBondContact O-N 3.1Š| ||
| 535 | E | 77.7 | Confident | 88.8 | Confident | 115 Ų | 115 | 61.8 Ų | 61.8 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | trans | -64.1 | 129.4 | 178.9 | -67 | 175.8 | -159.8 | 0 | 0 | 110.6 | ||||
| 536 | Q | 82.7 | Confident | 89 | Confident | 105 Ų | 105 | 54.3 Ų | 54.3 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | trans | -141.7 | 151.9 | 178 | -63.8 | -175.9 | 4.1 | 0 | 0 | 109.3 | P534 E538 | P534-Q536 PolarHBondContact O-N 3.1Å; Q536-E538 PolarHBondContact O-N 2.99Å | ||
| 537 | D | 81.3 | Confident | 89.2 | Confident | 104 Ų | 104 | 50.8 Ų | 50.8 | 56% | 0.556 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 107.7 | 174.7 | -75.4 | -22.5 | 0 | 0 | 0 | 109.4 | V514 R516 | V514-D537 HydrophobicContact CG1-CB 3.59Å; R516-D537 WeakPolarHBondContact CG-OD1 3.45Å; R516-D537 IonicContact NE-OD1 3.58Å |
| 538 | E | 88.6 | Confident | 89.2 | Confident | 7 Ų | 7 | 53 Ų | 53 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | -171.9 | -174 | 64.5 | -177.3 | 179 | 0 | 0 | 113.9 | V514 V515 N517 R533 Q536 F557 Q560 | V514-E538 CarbonylContact C-O 3.47Å; V514-E538 VanDerWaalsContact CA-O 3.32Å; V514-E538 WeakPolarHBondContact CA-O 3.39Å; V515-E538 WeakPolarHBondContact CG2-O 3.45Å; V515-E538 PolarHBondContact N-O 3Å; V515-E538 PolarHBondContact O-N 2.86Å; N517-E538 WeakPolarHBondContact ND2-CG 3.38Å; N517-E538 PolarHBondContact ND2-OE1 3.2Å; R533-E538 IonicContact CZ-OE1 3.93Å; R533-E538 VanDerWaalsContact CZ-OE1 3.29Å; R533-E538 IonicContact CZ-OE2 3.82Å; R533-E538 IonicContact NH1-OE1 3.12Å; R533-E538 PolarHBondContact NH1-OE1 3.35Å; R533-E538 IonicContact NH1-OE2 2.74Å; R533-E538 PolarHBondContact NH1-OE2 3.29Å; R533-E538 IonicContact NH2-OE1 3.65Å; R533-E538 PolarHBondContact NH2-OE1 3.33Å; R533-E538 IonicContact NH2-OE2 2.85Å; R533-E538 PolarHBondContact NH2-OE2 2.94Å; Q536-E538 PolarHBondContact O-N 2.99Å; E538-F557 WeakPolarHBondContact OE1-CE1 3.15Å; E538-Q560 PolarHBondContact OE2-OE1 3.3Å |
| 539 | S | 89.6 | Confident | 89 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -76.5 | 148.8 | 174.3 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | N517 F557 R559 Q560 | N517-S539 PolarHBondContact ND2-O 3.22Å; S539-F557 WeakPolarHBondContact O-CD1 3.41Å; S539-F557 WeakPolarHBondContact OG-CB 3.35Å; S539-R559 PolarHBondContact OG-N 3.4Å; S539-Q560 WeakPolarHBondContact OG-CG 3.43Å |
| 540 | P | 90.3 | Very high | 89 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 142.4 | -178.4 | 19.4 | -29.8 | 0 | 0 | 0 | 112.7 | V515 N517 E542 F557 R558 | V515-P540 VanDerWaalsContact CG2-CA 3.5Å; V515-P540 HydrophobicContact CG2-CB 3.84Å; V515-P540 HydrophobicContact CG2-CG 4.34Å; N517-P540 WeakPolarHBondContact OD1-CA 3.48Å; P540-E542 PolarHBondContact O-N 3.34Å; P540-F557 WeakPolarHBondContact O-CA 3.47Å; P540-R558 HydrophobicContact CG-CB 4.07Å; P540-R558 PolarHBondContact O-N 3.47Å |
| 541 | I | 92.9 | Very high | 88.9 | Confident | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 126.7 | 165.2 | -66.1 | 172.2 | 0 | 0 | 0 | 107.9 | N517 L519 L544 I555 F557 | N517-I541 HydrophobicContact CB-CD1 3.78Å; N517-I541 HydrophobicContact CB-CG1 4.06Å; N517-I541 PolarHBondContact OD1-N 3.47Å; N517-I541 VanDerWaalsContact OD1-N 3.14Å; L519-I541 HydrophobicContact CB-CD1 4.49Å; I541-L544 HydrophobicContact CG2-CD2 3.92Å; I541-L544 HydrophobicContact CG2-CG 4.32Å; I541-I555 HydrophobicContact CD1-CG2 3.95Å; I541-I555 HydrophobicContact CG1-CG2 3.93Å; I541-I555 HydrophobicContact CG2-CG2 4.03Å; I541-F557 HydrophobicContact CD1-CE1 4.24Å; I541-F557 HydrophobicContact CG1-CD1 3.78Å; I541-F557 HydrophobicContact CG1-CE1 3.56Å; I541-F557 HydrophobicContact CG1-CZ 4.39Å |
| 542 | E | 89.9 | Confident | 89.1 | Confident | 81 Ų | 81 | 40.6 Ų | 40.6 | 38% | 0.379 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -35.6 | 178.8 | -74.9 | -64.4 | 159.2 | 0 | 0 | 111.9 | C491 P540 A556 R558 | C491-E542 PolarHBondContact SG-O 2.68Å; P540-E542 PolarHBondContact O-N 3.34Å; E542-A556 PolarHBondContact N-O 2.98Å; E542-R558 HydrophobicContact CG-CB 3.83Å; E542-R558 HydrophobicContact CG-CG 4.44Å; E542-R558 IonicContact OE1-CZ 2.99Å; E542-R558 IonicContact OE1-NE 2.84Å; E542-R558 PolarHBondContact OE1-NE 3.45Å; E542-R558 IonicContact OE1-NH2 3.66Å; E542-R558 PolarHBondContact OE1-NH2 3.35Å |
| 543 | M | 92.8 | Very high | 89.5 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 15% | 0.148 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 153.1 | -177.7 | 56 | 174.6 | 63.4 | 0 | 0 | 113.5 | A556 V583 V584 M586 | M543-A556 HydrophobicContact CG-CB 3.59Å; M543-A556 PolarHBondContact N-O 3.22Å; M543-A556 PolarHBondContact O-N 2.69Å; M543-A556 HydrophobicContact SD-CB 4.3Å; M543-V583 HydrophobicContact SD-CG1 3.94Å; M543-V584 WeakPolarHBondContact CE-O 3.24Å; M543-M586 HydrophobicContact CB-CE 4.49Å; M543-M586 HydrophobicContact CG-CE 3.81Å; M543-M586 HydrophobicContact SD-CE 4.11Å; M543-M586 HydrophobicContact SD-CG 3.93Å; M543-M586 HydrophobicContact SD-SD 4.5Å |
| 544 | L | 95.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.8 | 175.4 | -59.9 | 177.2 | 0 | 0 | 0 | 108.6 | C491 E493 V501 L519 I541 L553 A554 I555 | C491-L544 HydrophobicContact CB-CB 4.32Å; C491-L544 HydrophobicContact CB-CD1 3.6Å; C491-L544 HydrophobicContact CB-CG 3.69Å; E493-L544 HydrophobicContact CG-CB 4.03Å; E493-L544 WeakPolarHBondContact CG-O 3.29Å; V501-L544 HydrophobicContact CG1-CD1 4.07Å; L519-L544 HydrophobicContact CD1-CD1 3.73Å; L519-L544 HydrophobicContact CD1-CD2 3.88Å; L519-L544 HydrophobicContact CD1-CG 4.47Å; I541-L544 HydrophobicContact CG2-CD2 3.92Å; I541-L544 HydrophobicContact CG2-CG 4.32Å; L544-L553 HydrophobicContact CB-CD1 4.26Å; L544-L553 HydrophobicContact CD2-CD1 4.47Å; L544-A554 WeakPolarHBondContact CA-O 3.26Å; L544-I555 HydrophobicContact CD2-CB 4.22Å; L544-I555 HydrophobicContact CD2-CG1 3.87Å; L544-I555 HydrophobicContact CD2-CG2 3.96Å |
| 545 | R | 94.8 | Very high | 90.6 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 20% | 0.2 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 121.1 | 167.1 | -70 | -64 | 179 | -105.2 | -1.2 | 110.6 | E493 A554 D585 M586 W588 | E493-R545 IonicContact OE1-NH1 3.88Å; E493-R545 PolarHBondContact OE1-NH1 3.3Å; R545-A554 PolarHBondContact N-O 3.05Å; R545-A554 PolarHBondContact O-N 2.78Å; R545-D585 IonicContact CZ-OD1 3.46Å; R545-D585 IonicContact NH2-OD1 3.49Å; R545-D585 PolarHBondContact NH2-OD1 3.2Å; R545-M586 HydrophobicContact CB-CE 4.08Å; R545-M586 HydrophobicContact CB-CG 4.43Å; R545-M586 HydrophobicContact CG-CE 3.88Å; R545-M586 HydrophobicContact CG-CG 3.7Å; R545-M586 WeakPolarHBondContact CG-O 3.23Å; R545-M586 HydrophobicContact CG-SD 4.46Å; R545-M586 PolarHBondContact NE-O 2.79Å; R545-W588 PolarHBondContact O-NE1 3.15Å |
| 546 | V | 94.5 | Very high | 91.4 | Very high | 20 Ų | 20 | 30.3 Ų | 30.3 | 12% | 0.121 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 141.3 | 171.8 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | E493 W494 C550 L553 L567 | E493-V546 HydrophobicContact CB-CG2 3.9Å; W494-V546 WeakPolarHBondContact O-CB 3.47Å; W494-V546 WeakPolarHBondContact O-CG2 3.49Å; V546-C550 HydrophobicContact CG1-CB 4.11Å; V546-L553 HydrophobicContact CG2-CD1 3.89Å; V546-L567 HydrophobicContact CG1-CD1 3.79Å; V546-L567 HydrophobicContact CG2-CD1 4.33Å |
| 547 | S | 93.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 4% | 0.035 | 13% | 0.128 | C | C | . | . | trans | -70.6 | 163.9 | 179.8 | 76.5 | 0 | 0 | 0 | 0 | 112.5 | F549 C550 C551 Y552 E632 | S547-F549 VanDerWaalsContact C-N 3.3Å; S547-F549 PolarHBondContact O-N 2.84Å; S547-C550 WeakPolarHBondContact O-CA 3.41Å; S547-C550 PolarHBondContact O-N 3.12Å; S547-C551 PolarHBondContact OG-N 2.99Å; S547-Y552 PolarHBondContact N-O 2.72Å; S547-Y552 PolarHBondContact OG-N 2.71Å; S547-Y552 PolarHBondContact OG-O 3.3Å; S547-E632 VanDerWaalsContact CB-CD 3.46Å; S547-E632 VanDerWaalsContact CB-OE1 3.28Å; S547-E632 WeakPolarHBondContact CB-OE1 3.41Å; S547-E632 WeakPolarHBondContact CB-OE2 3.5Å; S547-E632 VanDerWaalsContact OG-CD 3.3Å; S547-E632 PolarHBondContact OG-OE1 3.11Å; S547-E632 PolarHBondContact OG-OE2 3.36Å | ||
| 548 | H | 88.2 | Confident | 92.2 | Very high | 82 Ų | 82 | 25.9 Ų | 25.9 | 38% | 0.38 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -41.4 | -176.6 | 178.4 | 70.9 | 0 | 0 | 0 | 112.2 | C550 H593 E632 | H548-C550 VanDerWaalsContact C-N 3.27Å; H548-C550 PolarHBondContact O-N 3.27Å; H548-H593 AromaticContact CD2-CD2 3.47Å; H548-H593 PolarHBondContact CD2-CD2 3.42Å; H548-H593 VanDerWaalsContact CD2-CD2 3.47Å; H548-H593 AromaticContact CD2-NE2 3.55Å; H548-H593 AromaticContact NE2-CD2 3.98Å; H548-H593 AromaticContact NE2-NE2 3.58Å; H548-E632 WeakPolarHBondContact CA-OE1 3.4Å; H548-E632 WeakPolarHBondContact CB-OE1 3.47Å; H548-E632 PolarHBondContact N-OE1 3.3Å |
| 549 | F | 87.8 | Confident | 92.2 | Very high | 64 Ų | 64 | 33.7 Ų | 33.7 | 28% | 0.281 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 9.3 | 175 | -66.1 | -60.2 | 0 | 0 | 0 | 114.4 | S547 C551 H593 V595 Y630 E632 | S547-F549 VanDerWaalsContact C-N 3.3Å; S547-F549 PolarHBondContact O-N 2.84Å; F549-C551 PolarHBondContact O-N 3.4Å; F549-C551 VanDerWaalsContact O-N 3.08Å; F549-H593 HydrophobicContact CE2-CB 3.73Å; F549-H593 AromaticContact CE2-CG 3.52Å; F549-H593 AromaticContact CE2-ND1 3.57Å; F549-H593 HydrophobicContact CZ-CB 4.44Å; F549-H593 AromaticContact CZ-CE1 3.64Å; F549-H593 AromaticContact CZ-CG 3.75Å; F549-H593 AromaticContact CZ-ND1 3.39Å; F549-H593 WeakPolarHBondContact CZ-ND1 3.33Å; F549-V595 HydrophobicContact CE1-CG2 4.49Å; F549-V595 HydrophobicContact CE2-CG2 4.03Å; F549-V595 HydrophobicContact CZ-CG2 3.82Å; F549-Y630 HydrophobicContact CB-CD1 4.07Å; F549-Y630 HydrophobicContact CB-CE1 4.47Å; F549-Y630 HydrophobicContact CB-CG 4.27Å; F549-Y630 HydrophobicContact CD1-CD1 4.33Å; F549-Y630 HydrophobicContact CD1-CE1 4.4Å; F549-Y630 AromaticContact CD2-CD1 3.57Å; F549-Y630 HydrophobicContact CD2-CD1 3.57Å; F549-Y630 HydrophobicContact CD2-CE1 4.4Å; F549-Y630 HydrophobicContact CD2-CG 4.11Å; F549-Y630 HydrophobicContact CE2-CD1 4Å; F549-Y630 AromaticContact CG-CD1 3.74Å; F549-Y630 HydrophobicContact CG-CD1 3.74Å; F549-Y630 HydrophobicContact CG-CE1 4.2Å; F549-Y630 HydrophobicContact CG-CG 4.35Å; F549-E632 HydrophobicContact CD2-CG 3.86Å; F549-E632 PolarHBondContact N-OE1 3.35Å |
| 550 | C | 91.6 | Very high | 92.1 | Very high | 28 Ų | 28 | 36 Ų | 36 | 19% | 0.189 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 55.3 | 25 | -178.4 | -61.7 | 0 | 0 | 0 | 0 | 114.8 | F451 V546 S547 H548 L567 | F451-C550 WeakPolarHBondContact CE1-SG 3.15Å; V546-C550 HydrophobicContact CG1-CB 4.11Å; S547-C550 WeakPolarHBondContact O-CA 3.41Å; S547-C550 PolarHBondContact O-N 3.12Å; H548-C550 VanDerWaalsContact C-N 3.27Å; H548-C550 PolarHBondContact O-N 3.27Å; C550-L567 WeakPolarHBondContact O-CD1 3.47Å |
| 551 | C | 91.1 | Very high | 92.1 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 11% | 0.108 | 17% | 0.165 | C | C | . | . | trans | -102.9 | -18.1 | -177.2 | 72.2 | 0 | 0 | 0 | 0 | 113.2 | S547 F549 L567 Y630 E632 | S547-C551 PolarHBondContact OG-N 2.99Å; F549-C551 PolarHBondContact O-N 3.4Å; F549-C551 VanDerWaalsContact O-N 3.08Å; C551-L567 PolarHBondContact O-N 3.05Å; C551-Y630 HydrophobicContact CB-CD2 4.11Å; C551-E632 PolarHBondContact SG-OE2 2.93Å | ||
| 552 | Y | 94.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 150.4 | 176 | -48.6 | -63.7 | 0 | 0 | 0 | 112.1 | S547 W565 L573 W588 Y630 E632 V648 G650 | S547-Y552 PolarHBondContact N-O 2.72Å; S547-Y552 PolarHBondContact OG-N 2.71Å; S547-Y552 PolarHBondContact OG-O 3.3Å; Y552-W565 CarbonylContact C-O 3.57Å; Y552-W565 VanDerWaalsContact CA-O 3.24Å; Y552-W565 WeakPolarHBondContact CA-O 3.48Å; Y552-L573 HydrophobicContact CD1-CD1 3.57Å; Y552-L573 HydrophobicContact CE1-CD1 3.75Å; Y552-W588 HydrophobicContact CD2-CH2 4.44Å; Y552-Y630 PolarHBondContact OH-O 2.88Å; Y552-E632 HydrophobicContact CD2-CB 4.31Å; Y552-E632 HydrophobicContact CD2-CG 4.36Å; Y552-E632 WeakPolarHBondContact CD2-OE2 3.49Å; Y552-E632 HydrophobicContact CE2-CB 4.38Å; Y552-E632 HydrophobicContact CE2-CG 4.24Å; Y552-E632 WeakPolarHBondContact CE2-OE2 3.17Å; Y552-V648 HydrophobicContact CD1-CG1 3.71Å; Y552-V648 HydrophobicContact CD2-CB 4.24Å; Y552-V648 HydrophobicContact CD2-CG1 3.53Å; Y552-V648 HydrophobicContact CE1-CG1 3.72Å; Y552-V648 HydrophobicContact CE2-CB 4.3Å; Y552-V648 HydrophobicContact CE2-CG1 3.55Å; Y552-V648 HydrophobicContact CG-CG1 3.63Å; Y552-G650 VanDerWaalsContact OH-CA 3.28Å; Y552-G650 WeakPolarHBondContact OH-CA 3.35Å; Y552-G650 PolarHBondContact OH-N 3.22Å |
| 553 | L | 95.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.4 | 173.7 | 175.6 | 69.8 | 0 | 0 | 0 | 109.5 | V501 L519 L532 L544 V546 I555 V564 W565 L567 | V501-L553 HydrophobicContact CG1-CD1 4.38Å; V501-L553 HydrophobicContact CG1-CD2 3.98Å; L519-L553 HydrophobicContact CD2-CD2 4.16Å; L532-L553 HydrophobicContact CD1-CD2 3.95Å; L544-L553 HydrophobicContact CB-CD1 4.26Å; L544-L553 HydrophobicContact CD2-CD1 4.47Å; V546-L553 HydrophobicContact CG2-CD1 3.89Å; L553-I555 HydrophobicContact CD2-CD1 4.19Å; L553-I555 HydrophobicContact CD2-CG1 4.05Å; L553-I555 HydrophobicContact CG-CG1 4.03Å; L553-V564 CarbonylContact O-C 3.54Å; L553-V564 WeakPolarHBondContact O-CA 3.46Å; L553-W565 HydrophobicContact CB-CB 4.33Å; L553-W565 PolarHBondContact N-O 2.97Å; L553-W565 PolarHBondContact O-N 3.38Å; L553-L567 HydrophobicContact CB-CD1 4.09Å; L553-L567 HydrophobicContact CB-CD2 3.78Å; L553-L567 HydrophobicContact CB-CG 3.79Å; L553-L567 HydrophobicContact CD2-CD2 4.16Å |
| 554 | A | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | L544 R545 L562 E563 M586 W588 L634 | L544-A554 WeakPolarHBondContact CA-O 3.26Å; R545-A554 PolarHBondContact N-O 3.05Å; R545-A554 PolarHBondContact O-N 2.78Å; A554-L562 HydrophobicContact CB-CD1 4.35Å; A554-E563 WeakPolarHBondContact CA-O 3.47Å; A554-M586 HydrophobicContact CB-CE 4.05Å; A554-M586 HydrophobicContact CB-SD 3.92Å; A554-M586 WeakPolarHBondContact O-CE 3.48Å; A554-W588 HydrophobicContact CB-CZ2 3.98Å; A554-L634 HydrophobicContact CB-CD2 3.86Å |
| 555 | I | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.8 | -177.8 | -51.7 | 171.2 | 0 | 0 | 0 | 108.4 | L519 I541 L544 L553 F557 L562 E563 W565 | L519-I555 HydrophobicContact CD2-CD1 3.42Å; L519-I555 VanDerWaalsContact CD2-CD1 3.42Å; L519-I555 HydrophobicContact CD2-CG1 4.35Å; I541-I555 HydrophobicContact CD1-CG2 3.95Å; I541-I555 HydrophobicContact CG1-CG2 3.93Å; I541-I555 HydrophobicContact CG2-CG2 4.03Å; L544-I555 HydrophobicContact CD2-CB 4.22Å; L544-I555 HydrophobicContact CD2-CG1 3.87Å; L544-I555 HydrophobicContact CD2-CG2 3.96Å; L553-I555 HydrophobicContact CD2-CD1 4.19Å; L553-I555 HydrophobicContact CD2-CG1 4.05Å; L553-I555 HydrophobicContact CG-CG1 4.03Å; I555-F557 HydrophobicContact CB-CE2 4.39Å; I555-F557 HydrophobicContact CG2-CD2 4.46Å; I555-F557 HydrophobicContact CG2-CE1 4.26Å; I555-F557 HydrophobicContact CG2-CE2 3.86Å; I555-F557 HydrophobicContact CG2-CZ 3.75Å; I555-L562 WeakPolarHBondContact O-CA 3.36Å; I555-L562 VanDerWaalsContact O-CD1 3.24Å; I555-L562 WeakPolarHBondContact O-CD1 3.37Å; I555-E563 HydrophobicContact CB-CB 4.41Å; I555-E563 PolarHBondContact N-O 2.88Å; I555-E563 PolarHBondContact O-N 3.34Å; I555-W565 VanDerWaalsContact CD1-CD1 3.42Å; I555-W565 HydrophobicContact CD1-CG 4.2Å |
| 556 | A | 94.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E542 M543 L562 V583 M586 | E542-A556 PolarHBondContact N-O 2.98Å; M543-A556 HydrophobicContact CG-CB 3.59Å; M543-A556 PolarHBondContact N-O 3.22Å; M543-A556 PolarHBondContact O-N 2.69Å; M543-A556 HydrophobicContact SD-CB 4.3Å; A556-L562 HydrophobicContact CB-CD1 4Å; A556-V583 HydrophobicContact CB-CB 3.77Å; A556-V583 HydrophobicContact CB-CG1 3.87Å; A556-V583 HydrophobicContact CB-CG2 4.01Å; A556-M586 HydrophobicContact CB-CE 3.99Å; A556-M586 HydrophobicContact CB-SD 4.24Å |
| 557 | F | 92.2 | Very high | 92 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 155.6 | -178.6 | -59.2 | -91.7 | 0 | 0 | 0 | 110.2 | E538 S539 P540 I541 I555 R559 Q560 E563 | E538-F557 WeakPolarHBondContact OE1-CE1 3.15Å; S539-F557 WeakPolarHBondContact O-CD1 3.41Å; S539-F557 WeakPolarHBondContact OG-CB 3.35Å; P540-F557 WeakPolarHBondContact O-CA 3.47Å; I541-F557 HydrophobicContact CD1-CE1 4.24Å; I541-F557 HydrophobicContact CG1-CD1 3.78Å; I541-F557 HydrophobicContact CG1-CE1 3.56Å; I541-F557 HydrophobicContact CG1-CZ 4.39Å; I555-F557 HydrophobicContact CB-CE2 4.39Å; I555-F557 HydrophobicContact CG2-CD2 4.46Å; I555-F557 HydrophobicContact CG2-CE1 4.26Å; I555-F557 HydrophobicContact CG2-CE2 3.86Å; I555-F557 HydrophobicContact CG2-CZ 3.75Å; F557-R559 VanDerWaalsContact C-N 3.29Å; F557-R559 PolarHBondContact O-N 2.91Å; F557-Q560 HydrophobicContact CB-CB 3.67Å; F557-Q560 HydrophobicContact CD2-CB 4.1Å; F557-Q560 HydrophobicContact CG-CB 3.93Å; F557-E563 HydrophobicContact CE2-CB 4.2Å; F557-E563 HydrophobicContact CE2-CG 3.82Å; F557-E563 HydrophobicContact CZ-CG 4.46Å |
| 558 | R | 89.2 | Confident | 91.8 | Very high | 112 Ų | 112 | 40 Ų | 40 | 42% | 0.423 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -58.7 | -36.7 | 179.3 | -170.2 | -179.5 | -68 | 159.6 | 4.5 | 114 | P540 E542 | P540-R558 HydrophobicContact CG-CB 4.07Å; P540-R558 PolarHBondContact O-N 3.47Å; E542-R558 HydrophobicContact CG-CB 3.83Å; E542-R558 HydrophobicContact CG-CG 4.44Å; E542-R558 IonicContact OE1-CZ 2.99Å; E542-R558 IonicContact OE1-NE 2.84Å; E542-R558 PolarHBondContact OE1-NE 3.45Å; E542-R558 IonicContact OE1-NH2 3.66Å; E542-R558 PolarHBondContact OE1-NH2 3.35Å |
| 559 | R | 87 | Confident | 91.8 | Very high | 172 Ų | 172 | 38.5 Ų | 38.5 | 65% | 0.649 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -137.9 | 8.3 | -173.6 | -63.6 | -174.5 | 177 | 174 | -1.6 | 114 | S539 F557 | S539-R559 PolarHBondContact OG-N 3.4Å; F557-R559 VanDerWaalsContact C-N 3.29Å; F557-R559 PolarHBondContact O-N 2.91Å |
| 560 | Q | 88 | Confident | 91.8 | Very high | 56 Ų | 56 | 37.4 Ų | 37.4 | 26% | 0.262 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -120 | 154.8 | -177.5 | -75.5 | -170.9 | 10.8 | 0 | 0 | 111.1 | E538 S539 F557 | E538-Q560 PolarHBondContact OE2-OE1 3.3Å; S539-Q560 WeakPolarHBondContact OG-CG 3.43Å; F557-Q560 HydrophobicContact CB-CB 3.67Å; F557-Q560 HydrophobicContact CD2-CB 4.1Å; F557-Q560 HydrophobicContact CG-CB 3.93Å |
| 561 | P | 89.6 | Confident | 91.8 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 17% | 0.169 | 19% | 0.186 | C | C | . | . | trans | -65.8 | 148.6 | -179.8 | 27.3 | -34.6 | 0 | 0 | 0 | 111.3 | K575 M576 | P561-K575 HydrophobicContact CG-CG 4.08Å; P561-M576 HydrophobicContact CB-CB 4.33Å; P561-M576 VanDerWaalsContact CB-O 3.23Å; P561-M576 WeakPolarHBondContact CB-O 3.4Å | ||
| 562 | L | 93.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -52.9 | 139.8 | 177 | -177.9 | 85 | 0 | 0 | 0 | 111.9 | A554 I555 A556 V564 M576 V583 M586 L634 I636 I646 | A554-L562 HydrophobicContact CB-CD1 4.35Å; I555-L562 WeakPolarHBondContact O-CA 3.36Å; I555-L562 VanDerWaalsContact O-CD1 3.24Å; I555-L562 WeakPolarHBondContact O-CD1 3.37Å; A556-L562 HydrophobicContact CB-CD1 4Å; L562-V564 HydrophobicContact CD2-CG2 4.18Å; L562-M576 HydrophobicContact CB-CB 4.41Å; L562-M576 HydrophobicContact CB-CG 3.9Å; L562-M576 HydrophobicContact CD2-CE 4.35Å; L562-M576 HydrophobicContact CD2-CG 4.17Å; L562-M576 HydrophobicContact CG-CG 4.46Å; L562-M576 WeakPolarHBondContact O-CB 3.46Å; L562-M576 WeakPolarHBondContact O-CG 3.47Å; L562-M576 PolarHBondContact O-N 3.41Å; L562-V583 HydrophobicContact CB-CG2 4.25Å; L562-V583 HydrophobicContact CD1-CG2 4.13Å; L562-M586 HydrophobicContact CD1-CE 4.32Å; L562-M586 HydrophobicContact CD1-SD 3.53Å; L562-M586 VanDerWaalsContact CD1-SD 3.53Å; L562-L634 HydrophobicContact CD2-CD2 4.02Å; L562-I636 HydrophobicContact CD2-CD1 3.54Å; L562-I636 HydrophobicContact CD2-CG1 4.46Å; L562-I646 HydrophobicContact CD2-CD1 4.01Å | ||
| 563 | E | 93.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.019 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.8 | 169.8 | -69.6 | 177.8 | -174.3 | 0 | 0 | 110.9 | R533 A554 I555 F557 W565 L572 R574 K575 | R533-E563 IonicContact CZ-OE2 2.76Å; R533-E563 IonicContact NE-OE2 3.98Å; R533-E563 PolarHBondContact NE-OE2 3.32Å; R533-E563 IonicContact NH2-OE1 3.44Å; R533-E563 PolarHBondContact NH2-OE1 2.96Å; R533-E563 IonicContact NH2-OE2 3.03Å; A554-E563 WeakPolarHBondContact CA-O 3.47Å; I555-E563 HydrophobicContact CB-CB 4.41Å; I555-E563 PolarHBondContact N-O 2.88Å; I555-E563 PolarHBondContact O-N 3.34Å; F557-E563 HydrophobicContact CE2-CB 4.2Å; F557-E563 HydrophobicContact CE2-CG 3.82Å; F557-E563 HydrophobicContact CZ-CG 4.46Å; E563-W565 PolarHBondContact OE2-NE1 3.16Å; E563-L572 HydrophobicContact CB-CD1 3.88Å; E563-L572 HydrophobicContact CG-CD1 4.06Å; E563-R574 WeakPolarHBondContact CA-O 3.42Å; E563-K575 HydrophobicContact CG-CB 4.23Å; E563-K575 HydrophobicContact CG-CD 4.29Å; E563-K575 HydrophobicContact CG-CG 3.95Å; E563-K575 WeakPolarHBondContact OE1-CE 3.43Å; E563-K575 IonicContact OE1-NZ 3.9Å; E563-K575 PolarHBondContact OE1-NZ 2.98Å |
| 564 | V | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.3 | 173.3 | -178 | 0 | 0 | 0 | 0 | 108.8 | L553 L562 L573 R574 M576 V648 | L553-V564 CarbonylContact O-C 3.54Å; L553-V564 WeakPolarHBondContact O-CA 3.46Å; L562-V564 HydrophobicContact CD2-CG2 4.18Å; V564-L573 HydrophobicContact CG1-CD1 4.36Å; V564-L573 WeakPolarHBondContact O-CA 3.4Å; V564-L573 WeakPolarHBondContact O-CB 3.32Å; V564-L573 PolarHBondContact O-N 3.03Å; V564-R574 PolarHBondContact N-O 2.92Å; V564-R574 PolarHBondContact O-N 3.37Å; V564-R574 VanDerWaalsContact O-N 3.16Å; V564-M576 HydrophobicContact CG2-CE 3.67Å; V564-V648 HydrophobicContact CG1-CG1 4.42Å; V564-V648 HydrophobicContact CG1-CG2 4.11Å |
| 565 | W | 94.8 | Very high | 91.4 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 9% | 0.087 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.4 | -174.1 | -72.1 | 73.4 | 0 | 0 | 0 | 111.2 | L532 R533 Y552 L553 I555 E563 F570 R571 L572 | L532-W565 VanDerWaalsContact O-CZ3 3.24Å; L532-W565 WeakPolarHBondContact O-CZ3 3.48Å; R533-W565 HydrophobicContact CB-CH2 4.09Å; R533-W565 HydrophobicContact CB-CZ2 4.16Å; R533-W565 HydrophobicContact CG-CH2 3.89Å; R533-W565 HydrophobicContact CG-CZ2 3.7Å; Y552-W565 CarbonylContact C-O 3.57Å; Y552-W565 VanDerWaalsContact CA-O 3.24Å; Y552-W565 WeakPolarHBondContact CA-O 3.48Å; L553-W565 HydrophobicContact CB-CB 4.33Å; L553-W565 PolarHBondContact N-O 2.97Å; L553-W565 PolarHBondContact O-N 3.38Å; I555-W565 VanDerWaalsContact CD1-CD1 3.42Å; I555-W565 HydrophobicContact CD1-CG 4.2Å; E563-W565 PolarHBondContact OE2-NE1 3.16Å; W565-F570 WeakPolarHBondContact CZ3-O 3.41Å; W565-R571 WeakPolarHBondContact CA-O 3.34Å; W565-R571 VanDerWaalsContact CE3-C 3.44Å; W565-L572 HydrophobicContact CD2-CB 4.09Å; W565-L572 HydrophobicContact CD2-CD1 4.25Å; W565-L572 HydrophobicContact CE3-CB 4.25Å; W565-L572 VanDerWaalsContact CE3-N 3.3Å; W565-L572 HydrophobicContact CG-CD1 4.34Å; W565-L572 HydrophobicContact CH2-CB 4.03Å; W565-L572 HydrophobicContact CZ2-CB 3.85Å; W565-L572 HydrophobicContact CZ2-CD1 4.09Å; W565-L572 HydrophobicContact CZ2-CG 4.44Å; W565-L572 HydrophobicContact CZ3-CB 4.22Å |
| 566 | D | 92.7 | Very high | 91.2 | Very high | 32 Ų | 32 | 56.4 Ų | 56.4 | 17% | 0.171 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 118.9 | 167.4 | 171.9 | 13.7 | 0 | 0 | 0 | 109 | R568 S569 F570 R571 L573 | D566-R568 VanDerWaalsContact C-N 3.29Å; D566-R568 PolarHBondContact O-N 2.87Å; D566-R568 WeakPolarHBondContact OD1-CB 3.37Å; D566-R568 PolarHBondContact OD1-N 3.24Å; D566-S569 VanDerWaalsContact CG-OG 3.31Å; D566-S569 VanDerWaalsContact OD2-CB 3.23Å; D566-S569 WeakPolarHBondContact OD2-CB 3.36Å; D566-S569 PolarHBondContact OD2-N 2.84Å; D566-S569 PolarHBondContact OD2-OG 2.91Å; D566-F570 WeakPolarHBondContact O-CA 2.98Å; D566-F570 PolarHBondContact O-N 2.81Å; D566-R571 PolarHBondContact N-O 2.68Å; D566-R571 PolarHBondContact O-N 2.8Å; D566-L573 HydrophobicContact CB-CD1 4.11Å; D566-L573 HydrophobicContact CB-CD2 3.91Å; D566-L573 HydrophobicContact CB-CG 3.99Å |
| 567 | L | 90.7 | Very high | 90.8 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -19.6 | -179.4 | -77.4 | 172.2 | 0 | 0 | 0 | 112.9 | V501 F521 L532 V546 C550 C551 L553 F570 | V501-L567 HydrophobicContact CG2-CD2 4.08Å; F521-L567 HydrophobicContact CD2-CD2 4.39Å; L532-L567 HydrophobicContact CD1-CD2 4.49Å; L532-L567 HydrophobicContact CD2-CD2 4.47Å; V546-L567 HydrophobicContact CG1-CD1 3.79Å; V546-L567 HydrophobicContact CG2-CD1 4.33Å; C550-L567 WeakPolarHBondContact O-CD1 3.47Å; C551-L567 PolarHBondContact O-N 3.05Å; L553-L567 HydrophobicContact CB-CD1 4.09Å; L553-L567 HydrophobicContact CB-CD2 3.78Å; L553-L567 HydrophobicContact CB-CG 3.79Å; L553-L567 HydrophobicContact CD2-CD2 4.16Å; L567-F570 VanDerWaalsContact O-CD1 3.24Å; L567-F570 WeakPolarHBondContact O-CD1 3.46Å; L567-F570 WeakPolarHBondContact O-CE1 3.5Å; L567-F570 WeakPolarHBondContact O-CZ 3.42Å |
| 568 | R | 87.4 | Confident | 90.2 | Very high | 195 Ų | 195 | 69.5 Ų | 69.5 | 74% | 0.736 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -43.8 | 179 | -170.7 | 175 | -177.9 | 166.9 | 3.6 | 111.9 | D566 | D566-R568 VanDerWaalsContact C-N 3.29Å; D566-R568 PolarHBondContact O-N 2.87Å; D566-R568 WeakPolarHBondContact OD1-CB 3.37Å; D566-R568 PolarHBondContact OD1-N 3.24Å |
| 569 | S | 88.1 | Confident | 89.5 | Confident | 51 Ų | 51 | 74.8 Ų | 74.8 | 36% | 0.357 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -10.4 | 179.4 | 70.7 | 0 | 0 | 0 | 0 | 114.1 | D566 R571 | D566-S569 VanDerWaalsContact CG-OG 3.31Å; D566-S569 VanDerWaalsContact OD2-CB 3.23Å; D566-S569 WeakPolarHBondContact OD2-CB 3.36Å; D566-S569 PolarHBondContact OD2-N 2.84Å; D566-S569 PolarHBondContact OD2-OG 2.91Å; S569-R571 PolarHBondContact O-N 2.91Å; S569-R571 WeakPolarHBondContact OG-CB 3.37Å; S569-R571 WeakPolarHBondContact OG-CG 3.28Å |
| 570 | F | 89.8 | Confident | 88.9 | Confident | 41 Ų | 41 | 67.3 Ų | 67.3 | 18% | 0.18 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 39.1 | -172.9 | -51.1 | -59.3 | 0 | 0 | 0 | 112.6 | F521 K530 L532 W565 D566 L567 | F521-F570 HydrophobicContact CB-CE1 4.2Å; F521-F570 HydrophobicContact CD1-CE1 4.34Å; F521-F570 HydrophobicContact CD1-CZ 4.05Å; F521-F570 AromaticContact CD2-CE1 3.93Å; F521-F570 HydrophobicContact CD2-CE1 3.93Å; F521-F570 HydrophobicContact CD2-CZ 4.38Å; F521-F570 HydrophobicContact CE1-CZ 4.32Å; F521-F570 HydrophobicContact CE2-CE1 4.38Å; F521-F570 AromaticContact CG-CE1 3.9Å; F521-F570 HydrophobicContact CG-CE1 3.9Å; F521-F570 HydrophobicContact CG-CZ 4.08Å; K530-F570 HydrophobicContact CD-CD2 3.7Å; K530-F570 HydrophobicContact CD-CE2 3.4Å; K530-F570 VanDerWaalsContact CD-CE2 3.4Å; K530-F570 HydrophobicContact CD-CZ 3.99Å; L532-F570 HydrophobicContact CD2-CB 4.26Å; L532-F570 HydrophobicContact CD2-CD1 2.93Å; L532-F570 HydrophobicContact CD2-CE1 3.29Å; L532-F570 HydrophobicContact CD2-CG 3.85Å; L532-F570 HydrophobicContact CD2-CZ 4.45Å; L532-F570 HydrophobicContact CG-CD1 4.4Å; W565-F570 WeakPolarHBondContact CZ3-O 3.41Å; D566-F570 WeakPolarHBondContact O-CA 2.98Å; D566-F570 PolarHBondContact O-N 2.81Å; L567-F570 VanDerWaalsContact O-CD1 3.24Å; L567-F570 WeakPolarHBondContact O-CD1 3.46Å; L567-F570 WeakPolarHBondContact O-CE1 3.5Å; L567-F570 WeakPolarHBondContact O-CZ 3.42Å |
| 571 | R | 91.4 | Very high | 88.5 | Confident | 160 Ų | 160 | 65.7 Ų | 65.7 | 60% | 0.604 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 137.8 | 179 | -67.7 | -177.5 | 176.4 | -168.3 | -1.7 | 110.3 | W565 D566 S569 L573 | W565-R571 WeakPolarHBondContact CA-O 3.34Å; W565-R571 VanDerWaalsContact CE3-C 3.44Å; D566-R571 PolarHBondContact N-O 2.68Å; D566-R571 PolarHBondContact O-N 2.8Å; S569-R571 PolarHBondContact O-N 2.91Å; S569-R571 WeakPolarHBondContact OG-CB 3.37Å; S569-R571 WeakPolarHBondContact OG-CG 3.28Å; R571-L573 PolarHBondContact O-N 3.5Å |
| 572 | L | 92.7 | Very high | 88.2 | Confident | 77 Ų | 77 | 68.5 Ų | 68.5 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 119 | 166.4 | 177.8 | 67.7 | 0 | 0 | 0 | 108.7 | E563 W565 | E563-L572 HydrophobicContact CB-CD1 3.88Å; E563-L572 HydrophobicContact CG-CD1 4.06Å; W565-L572 HydrophobicContact CD2-CB 4.09Å; W565-L572 HydrophobicContact CD2-CD1 4.25Å; W565-L572 HydrophobicContact CE3-CB 4.25Å; W565-L572 VanDerWaalsContact CE3-N 3.3Å; W565-L572 HydrophobicContact CG-CD1 4.34Å; W565-L572 HydrophobicContact CH2-CB 4.03Å; W565-L572 HydrophobicContact CZ2-CB 3.85Å; W565-L572 HydrophobicContact CZ2-CD1 4.09Å; W565-L572 HydrophobicContact CZ2-CG 4.44Å; W565-L572 HydrophobicContact CZ3-CB 4.22Å |
| 573 | L | 91.8 | Very high | 88.2 | Confident | 27 Ų | 27 | 69.3 Ų | 69.3 | 14% | 0.141 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -42.5 | 174.4 | -63.3 | -180 | 0 | 0 | 0 | 110.6 | Y552 V564 D566 R571 V648 V653 | Y552-L573 HydrophobicContact CD1-CD1 3.57Å; Y552-L573 HydrophobicContact CE1-CD1 3.75Å; V564-L573 HydrophobicContact CG1-CD1 4.36Å; V564-L573 WeakPolarHBondContact O-CA 3.4Å; V564-L573 WeakPolarHBondContact O-CB 3.32Å; V564-L573 PolarHBondContact O-N 3.03Å; D566-L573 HydrophobicContact CB-CD1 4.11Å; D566-L573 HydrophobicContact CB-CD2 3.91Å; D566-L573 HydrophobicContact CB-CG 3.99Å; R571-L573 PolarHBondContact O-N 3.5Å; L573-V648 HydrophobicContact CD1-CG1 4.32Å; L573-V653 HydrophobicContact CB-CG2 3.94Å; L573-V653 HydrophobicContact CD1-CG2 4.16Å |
| 574 | R | 91.9 | Very high | 88.1 | Confident | 99 Ų | 99 | 71.1 Ų | 71.1 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 135.1 | -176.5 | -170.8 | 68.2 | 174.5 | -127.5 | 1.1 | 111.7 | E563 V564 M576 V653 D655 | E563-R574 WeakPolarHBondContact CA-O 3.42Å; V564-R574 PolarHBondContact N-O 2.92Å; V564-R574 PolarHBondContact O-N 3.37Å; V564-R574 VanDerWaalsContact O-N 3.16Å; R574-M576 HydrophobicContact CB-CE 4.47Å; R574-M576 HydrophobicContact CG-CE 4.15Å; R574-M576 HydrophobicContact CG-SD 4.21Å; R574-V653 HydrophobicContact CB-CB 3.78Å; R574-V653 HydrophobicContact CB-CG1 3.86Å; R574-V653 HydrophobicContact CG-CB 4.29Å; R574-V653 HydrophobicContact CG-CG1 4.16Å; R574-V653 PolarHBondContact NH1-O 3.45Å; R574-V653 VanDerWaalsContact NH1-O 3.09Å; R574-D655 IonicContact CZ-OD1 3.89Å; R574-D655 IonicContact NE-OD1 3.41Å; R574-D655 PolarHBondContact NE-OD1 3.48Å; R574-D655 IonicContact NH2-OD1 4Å; R574-D655 PolarHBondContact NH2-OD1 3.15Å |
| 575 | K | 91.3 | Very high | 88 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 38% | 0.378 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 124 | 158.1 | -171.6 | 164.7 | -170 | 137 | 0 | 107.8 | P561 E563 | P561-K575 HydrophobicContact CG-CG 4.08Å; E563-K575 HydrophobicContact CG-CB 4.23Å; E563-K575 HydrophobicContact CG-CD 4.29Å; E563-K575 HydrophobicContact CG-CG 3.95Å; E563-K575 WeakPolarHBondContact OE1-CE 3.43Å; E563-K575 IonicContact OE1-NZ 3.9Å; E563-K575 PolarHBondContact OE1-NZ 2.98Å |
| 576 | M | 90.2 | Very high | 88 | Confident | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 154.2 | -178.8 | -63 | -58.9 | 160.4 | 0 | 0 | 110.6 | P561 L562 V564 R574 C580 I646 V653 | P561-M576 HydrophobicContact CB-CB 4.33Å; P561-M576 VanDerWaalsContact CB-O 3.23Å; P561-M576 WeakPolarHBondContact CB-O 3.4Å; L562-M576 HydrophobicContact CB-CB 4.41Å; L562-M576 HydrophobicContact CB-CG 3.9Å; L562-M576 HydrophobicContact CD2-CE 4.35Å; L562-M576 HydrophobicContact CD2-CG 4.17Å; L562-M576 HydrophobicContact CG-CG 4.46Å; L562-M576 WeakPolarHBondContact O-CB 3.46Å; L562-M576 WeakPolarHBondContact O-CG 3.47Å; L562-M576 PolarHBondContact O-N 3.41Å; V564-M576 HydrophobicContact CG2-CE 3.67Å; R574-M576 HydrophobicContact CB-CE 4.47Å; R574-M576 HydrophobicContact CG-CE 4.15Å; R574-M576 HydrophobicContact CG-SD 4.21Å; M576-C580 HydrophobicContact CB-CB 3.83Å; M576-I646 HydrophobicContact CE-CD1 3.58Å; M576-I646 HydrophobicContact CE-CG2 4.01Å; M576-I646 HydrophobicContact CG-CD1 4.45Å; M576-I646 HydrophobicContact SD-CD1 3.97Å; M576-V653 HydrophobicContact CE-CG1 3.71Å |
| 577 | S | 86.6 | Confident | 88 | Confident | 40 Ų | 40 | 69.6 Ų | 69.6 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 159 | 174.9 | 69.7 | 0 | 0 | 0 | 0 | 111.2 | R579 C580 D655 | S577-R579 PolarHBondContact O-N 2.96Å; S577-C580 VanDerWaalsContact O-CB 3.26Å; S577-C580 WeakPolarHBondContact O-CB 3.18Å; S577-C580 PolarHBondContact O-N 3.34Å; S577-D655 WeakPolarHBondContact CB-OD2 3.2Å; S577-D655 PolarHBondContact OG-OD2 3.15Å |
| 578 | R | 79.3 | Confident | 88.2 | Confident | 241 Ų | 241 | 69.8 Ų | 69.8 | 91% | 0.909 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -7.4 | 175 | -64.5 | -172.4 | -178.3 | -173.8 | 0.4 | 114.2 | C580 | R578-C580 VanDerWaalsContact C-N 3.33Š|
| 579 | R | 75.3 | Confident | 88.3 | Confident | 223 Ų | 223 | 60.5 Ų | 60.5 | 84% | 0.842 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.9 | 172.9 | -56.2 | -175.1 | -155.6 | -177 | 5.6 | 112.1 | S577 | S577-R579 PolarHBondContact O-N 2.96Š|
| 580 | C | 73.4 | Confident | 88.2 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 10% | 0.101 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -67 | 125.4 | 172.7 | -169.8 | 0 | 0 | 0 | 0 | 107.8 | M576 S577 R578 | M576-C580 HydrophobicContact CB-CB 3.83Å; S577-C580 VanDerWaalsContact O-CB 3.26Å; S577-C580 WeakPolarHBondContact O-CB 3.18Å; S577-C580 PolarHBondContact O-N 3.34Å; R578-C580 VanDerWaalsContact C-N 3.33Å |
| 581 | P | 79.2 | Confident | 87.9 | Confident | 22 Ų | 22 | 63 Ų | 63 | 14% | 0.143 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 165.4 | -175.8 | 27.1 | -34.8 | 0 | 0 | 0 | 111.7 | V583 D638 F639 W644 | P581-V583 PolarHBondContact O-N 3.47Å; P581-D638 HydrophobicContact CB-CB 3.54Å; P581-D638 HydrophobicContact CG-CB 3.52Å; P581-F639 HydrophobicContact CB-CE1 4.5Å; P581-W644 HydrophobicContact CG-CD2 4.39Å; P581-W644 HydrophobicContact CG-CG 4.47Å; P581-W644 HydrophobicContact CG-CZ2 4.22Å |
| 582 | I | 84.8 | Confident | 87.4 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 44% | 0.436 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 125.3 | 172.1 | -60.7 | 174.8 | 0 | 0 | 0 | 107.7 | V584 | I582-V584 PolarHBondContact O-N 3.06Š|
| 583 | V | 91.9 | Very high | 87 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 11% | 0.109 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 120.7 | -177.8 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | M543 A556 L562 P581 M586 I636 | M543-V583 HydrophobicContact SD-CG1 3.94Å; A556-V583 HydrophobicContact CB-CB 3.77Å; A556-V583 HydrophobicContact CB-CG1 3.87Å; A556-V583 HydrophobicContact CB-CG2 4.01Å; L562-V583 HydrophobicContact CB-CG2 4.25Å; L562-V583 HydrophobicContact CD1-CG2 4.13Å; P581-V583 PolarHBondContact O-N 3.47Å; V583-M586 HydrophobicContact CG1-CB 4.08Å; V583-M586 HydrophobicContact CG1-CG 4.18Å; V583-M586 HydrophobicContact CG1-SD 4.18Å; V583-I636 HydrophobicContact CB-CG2 4.16Å; V583-I636 HydrophobicContact CG1-CG2 3.97Å; V583-I636 HydrophobicContact CG2-CG2 3.73Å |
| 584 | V | 91.7 | Very high | 86.6 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 26% | 0.261 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -85.8 | -47.9 | 171.1 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | M543 I582 L637 D638 F639 V669 | M543-V584 WeakPolarHBondContact CE-O 3.24Å; I582-V584 PolarHBondContact O-N 3.06Å; V584-L637 HydrophobicContact CB-CD2 4.31Å; V584-L637 HydrophobicContact CB-CG 4.4Å; V584-L637 HydrophobicContact CG1-CD2 4.2Å; V584-L637 PolarHBondContact N-O 2.97Å; V584-D638 VanDerWaalsContact CG2-C 3.5Å; V584-F639 HydrophobicContact CG2-CB 4.14Å; V584-V669 WeakPolarHBondContact CG1-O 3.3Å |
| 585 | D | 93.3 | Very high | 86.2 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.032 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 163.1 | 170.3 | -152.9 | -11.5 | 0 | 0 | 0 | 109.8 | R545 L637 S671 M672 | R545-D585 IonicContact CZ-OD1 3.46Å; R545-D585 IonicContact NH2-OD1 3.49Å; R545-D585 PolarHBondContact NH2-OD1 3.2Å; D585-L637 PolarHBondContact O-N 3.28Å; D585-S671 VanDerWaalsContact OD2-CA 3.27Å; D585-S671 WeakPolarHBondContact OD2-CA 3.39Å; D585-S671 PolarHBondContact OD2-OG 3.25Å; D585-M672 HydrophobicContact CB-CB 4.28Å; D585-M672 PolarHBondContact OD2-N 2.99Å |
| 586 | M | 94.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 148.1 | 179.6 | 61.4 | -176.9 | 178.3 | 0 | 0 | 111.5 | M543 R545 A554 A556 L562 V583 L634 V635 I636 | M543-M586 HydrophobicContact CB-CE 4.49Å; M543-M586 HydrophobicContact CG-CE 3.81Å; M543-M586 HydrophobicContact SD-CE 4.11Å; M543-M586 HydrophobicContact SD-CG 3.93Å; M543-M586 HydrophobicContact SD-SD 4.5Å; R545-M586 HydrophobicContact CB-CE 4.08Å; R545-M586 HydrophobicContact CB-CG 4.43Å; R545-M586 HydrophobicContact CG-CE 3.88Å; R545-M586 HydrophobicContact CG-CG 3.7Å; R545-M586 WeakPolarHBondContact CG-O 3.23Å; R545-M586 HydrophobicContact CG-SD 4.46Å; R545-M586 PolarHBondContact NE-O 2.79Å; A554-M586 HydrophobicContact CB-CE 4.05Å; A554-M586 HydrophobicContact CB-SD 3.92Å; A554-M586 WeakPolarHBondContact O-CE 3.48Å; A556-M586 HydrophobicContact CB-CE 3.99Å; A556-M586 HydrophobicContact CB-SD 4.24Å; L562-M586 HydrophobicContact CD1-CE 4.32Å; L562-M586 HydrophobicContact CD1-SD 3.53Å; L562-M586 VanDerWaalsContact CD1-SD 3.53Å; V583-M586 HydrophobicContact CG1-CB 4.08Å; V583-M586 HydrophobicContact CG1-CG 4.18Å; V583-M586 HydrophobicContact CG1-SD 4.18Å; M586-L634 HydrophobicContact CB-CD1 4.19Å; M586-V635 CarbonylContact C-O 3.58Å; M586-V635 VanDerWaalsContact CA-O 3.23Å; M586-V635 WeakPolarHBondContact CA-O 3.33Å; M586-V635 WeakPolarHBondContact CB-O 3.46Å; M586-I636 HydrophobicContact CB-CG1 4.12Å |
| 587 | S | 93.7 | Very high | 84.5 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 139.7 | -178.5 | -165.7 | 0 | 0 | 0 | 0 | 112.1 | V635 W674 | S587-V635 PolarHBondContact N-O 3.45Å; S587-V635 PolarHBondContact O-N 3.24Å; S587-W674 VanDerWaalsContact OG-CB 3.26Å; S587-W674 WeakPolarHBondContact OG-CB 3.46Å; S587-W674 PolarHBondContact OG-N 3.17Å |
| 588 | W | 93.6 | Very high | 83.4 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 5% | 0.053 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 152.5 | 172.7 | -67.4 | 97.8 | 0 | 0 | 0 | 111.3 | R545 Y552 A554 E632 N633 L634 V648 W674 | R545-W588 PolarHBondContact O-NE1 3.15Å; Y552-W588 HydrophobicContact CD2-CH2 4.44Å; A554-W588 HydrophobicContact CB-CZ2 3.98Å; W588-E632 HydrophobicContact CE3-CB 4.02Å; W588-E632 HydrophobicContact CZ3-CB 3.87Å; W588-N633 CarbonylContact C-O 3.58Å; W588-N633 WeakPolarHBondContact CA-O 3.22Å; W588-L634 HydrophobicContact CD2-CB 4.04Å; W588-L634 HydrophobicContact CD2-CD1 3.9Å; W588-L634 HydrophobicContact CE3-CB 3.73Å; W588-L634 HydrophobicContact CE3-CD1 4.47Å; W588-L634 HydrophobicContact CG-CD1 4.09Å; W588-L634 HydrophobicContact CH2-CB 4.11Å; W588-L634 HydrophobicContact CH2-CD2 4.49Å; W588-L634 HydrophobicContact CZ2-CB 4.38Å; W588-L634 HydrophobicContact CZ2-CD1 4.39Å; W588-L634 HydrophobicContact CZ2-CD2 4.28Å; W588-L634 HydrophobicContact CZ3-CB 3.77Å; W588-V648 HydrophobicContact CH2-CB 4.34Å; W588-V648 HydrophobicContact CH2-CG2 3.82Å; W588-V648 HydrophobicContact CZ3-CB 4.28Å; W588-V648 HydrophobicContact CZ3-CG2 4Å; W588-W674 VanDerWaalsContact C-CE3 3.47Å |
| 589 | S | 91 | Very high | 82.1 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | trans | -76.2 | 136.5 | 173.3 | -163.3 | 0 | 0 | 0 | 0 | 111 | H592 N633 W674 | S589-H592 WeakPolarHBondContact OG-CB 3.48Å; S589-H592 PolarHBondContact OG-N 3.08Å; S589-N633 PolarHBondContact N-O 3.02Å; S589-W674 VanDerWaalsContact N-CE3 3.34Å; S589-W674 VanDerWaalsContact OG-CH2 3.27Å; S589-W674 WeakPolarHBondContact OG-CH2 3.47Å; S589-W674 VanDerWaalsContact OG-CZ2 3.32Å; S589-W674 WeakPolarHBondContact OG-CZ2 3.4Å | ||
| 590 | T | 84.2 | Confident | 81 | Confident | 51 Ų | 51 | 60 Ų | 60 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -99.6 | -5.3 | 173.7 | 69 | 0 | 0 | 0 | 0 | 113.8 | H593 Q676 | T590-H593 PolarHBondContact O-NE2 2.86Å; T590-Q676 PolarHBondContact OG1-N 3.44Å |
| 591 | K | 84.2 | Confident | 79.7 | Confident | 92 Ų | 92 | 66.6 Ų | 66.6 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -122.2 | -39.3 | -179.1 | -178.7 | 179.9 | 174.9 | -173.5 | 0 | 112.4 | H593 Q676 D677 E694 | K591-H593 PolarHBondContact O-N 2.74Å; K591-H593 VanDerWaalsContact O-N 3.12Å; K591-Q676 HydrophobicContact CB-CB 4.45Å; K591-Q676 HydrophobicContact CD-CB 4.37Å; K591-D677 VanDerWaalsContact CD-OD2 3.25Å; K591-D677 WeakPolarHBondContact CD-OD2 3.46Å; K591-D677 WeakPolarHBondContact CE-OD2 3.45Å; K591-D677 IonicContact NZ-OD1 3.58Å; K591-D677 IonicContact NZ-OD2 2.56Å; K591-D677 PolarHBondContact NZ-OD2 3.4Å; K591-E694 IonicContact NZ-OE1 2.97Å; K591-E694 PolarHBondContact NZ-OE1 3.31Å |
| 592 | H | 81.9 | Confident | 77.9 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 35% | 0.347 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -88.5 | 81.9 | -178.2 | -52.3 | -56.2 | 0 | 0 | 0 | 110.4 | S589 N633 W674 D677 | S589-H592 WeakPolarHBondContact OG-CB 3.48Å; S589-H592 PolarHBondContact OG-N 3.08Å; H592-N633 PolarHBondContact O-ND2 3.48Å; H592-W674 AromaticContact CD2-CZ2 3.67Å; H592-D677 IonicContact CE1-OD1 2.69Å; H592-D677 PolarHBondContact CE1-OD1 2.88Å; H592-D677 IonicContact NE2-OD1 3.02Å; H592-D677 PolarHBondContact NE2-OD1 2.64Å |
| 593 | H | 83.6 | Confident | 75.9 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | trans | -143 | 158.3 | 174.1 | 56.3 | 57.3 | 0 | 0 | 0 | 111 | H548 F549 T590 K591 R631 E632 | H548-H593 AromaticContact CD2-CD2 3.47Å; H548-H593 PolarHBondContact CD2-CD2 3.42Å; H548-H593 VanDerWaalsContact CD2-CD2 3.47Å; H548-H593 AromaticContact CD2-NE2 3.55Å; H548-H593 AromaticContact NE2-CD2 3.98Å; H548-H593 AromaticContact NE2-NE2 3.58Å; F549-H593 HydrophobicContact CE2-CB 3.73Å; F549-H593 AromaticContact CE2-CG 3.52Å; F549-H593 AromaticContact CE2-ND1 3.57Å; F549-H593 HydrophobicContact CZ-CB 4.44Å; F549-H593 AromaticContact CZ-CE1 3.64Å; F549-H593 AromaticContact CZ-CG 3.75Å; F549-H593 AromaticContact CZ-ND1 3.39Å; F549-H593 WeakPolarHBondContact CZ-ND1 3.33Å; T590-H593 PolarHBondContact O-NE2 2.86Å; K591-H593 PolarHBondContact O-N 2.74Å; K591-H593 VanDerWaalsContact O-N 3.12Å; H593-R631 CarbonylContact C-O 3.55Å; H593-R631 WeakPolarHBondContact CA-O 3.35Å; H593-R631 WeakPolarHBondContact CB-O 3.49Å; H593-E632 HydrophobicContact CB-CG 4.44Å | ||
| 594 | Q | 83.1 | Confident | 73 | Confident | 100 Ų | 100 | 81.6 Ų | 81.6 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.8 | 178.1 | -66 | 172.4 | -19.1 | 0 | 0 | 110.7 | R631 | Q594-R631 HydrophobicContact CB-CB 4.15Å; Q594-R631 PolarHBondContact N-O 2.82Å; Q594-R631 PolarHBondContact O-N 2.89Å |
| 595 | V | 83.2 | Confident | 70.5 | Confident | 65 Ų | 65 | 88.2 Ų | 88.2 | 39% | 0.394 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.6 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | F549 E628 Y630 | F549-V595 HydrophobicContact CE1-CG2 4.49Å; F549-V595 HydrophobicContact CE2-CG2 4.03Å; F549-V595 HydrophobicContact CZ-CG2 3.82Å; V595-E628 HydrophobicContact CG1-CB 4.27Å; V595-Y630 HydrophobicContact CB-CD1 4.47Å; V595-Y630 HydrophobicContact CG1-CD1 4.12Å; V595-Y630 HydrophobicContact CG1-CE1 3.83Å; V595-Y630 HydrophobicContact CG2-CD1 3.84Å; V595-Y630 HydrophobicContact CG2-CE1 3.98Å |
| 596 | E | 79.6 | Confident | 67.5 | Low | 79 Ų | 79 | 97.6 Ų | 97.6 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.8 | 173.6 | -77.1 | 175.1 | -172.9 | 0 | 0 | 109.1 | L598 L629 K649 | E596-L598 PolarHBondContact O-N 3.35Å; E596-L629 HydrophobicContact CB-CB 4.28Å; E596-L629 PolarHBondContact N-O 2.73Å; E596-L629 PolarHBondContact O-N 3.43Å; E596-K649 IonicContact OE1-NZ 3.88Å; E596-K649 PolarHBondContact OE1-NZ 3.08Å; E596-K649 WeakPolarHBondContact OE2-CE 3.48Å; E596-K649 IonicContact OE2-NZ 3.97Å; E596-K649 PolarHBondContact OE2-NZ 2.63Å |
| 597 | K | 67.6 | Low | 64.6 | Low | 157 Ų | 157 | 106.8 Ų | 106.8 | 68% | 0.683 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 112.2 | 171.8 | -70.4 | -173.8 | 176.2 | -173.7 | 0 | 109.2 | M599 E628 | K597-M599 PolarHBondContact O-N 3.43Å; K597-E628 WeakPolarHBondContact CE-OE1 3.39Å; K597-E628 HydrophobicContact CG-CG 4.24Å; K597-E628 IonicContact NZ-OE1 2.76Å |
| 598 | L | 62.8 | Low | 61.8 | Low | 88 Ų | 88 | 111.3 Ų | 111.3 | 46% | 0.461 | 56% | 0.564 | S | S | . | * | trans | -73.7 | 111.7 | 170.9 | -69.1 | 165.8 | 0 | 0 | 0 | 108.8 | E596 R627 L629 | E596-L598 PolarHBondContact O-N 3.35Å; L598-R627 WeakPolarHBondContact CB-O 3.31Å; L598-R627 HydrophobicContact CD1-CB 4.36Å; L598-R627 PolarHBondContact N-O 3.43Å; L598-R627 VanDerWaalsContact N-O 3.14Å; L598-L629 HydrophobicContact CD1-CD1 3.48Å; L598-L629 VanDerWaalsContact CD1-CD1 3.48Å; L598-L629 HydrophobicContact CD1-CG 3.94Å; L598-L629 HydrophobicContact CD2-CD1 4.06Å; L598-L629 HydrophobicContact CG-CD1 3.8Å; L598-L629 HydrophobicContact CG-CG 4.42Å | ||
| 599 | M | 51.4 | Low | 58.8 | Low | 169 Ų | 169 | 118.1 Ų | 118.1 | 83% | 0.833 | 60% | 0.597 | S | S | * | * | trans | -68.9 | 141 | 165.8 | -60.9 | -172.1 | 99.5 | 0 | 0 | 108.5 | K597 D601 | K597-M599 PolarHBondContact O-N 3.43Å; M599-D601 PolarHBondContact O-N 3.35Å | ||
| 600 | P | 51.6 | Low | 56.1 | Low | 109 Ų | 109 | 126.8 Ų | 126.8 | 71% | 0.708 | 63% | 0.634 | S | S | * | * | trans | -63.5 | 123.9 | 174.9 | 25.4 | -30.7 | 0 | 0 | 0 | 109.1 | V602 | P600-V602 PolarHBondContact O-N 2.86Š| ||
| 601 | D | 47.5 | Very low | 53.6 | Low | 152 Ų | 152 | 128.7 Ų | 128.7 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | trans | -58.8 | 103.8 | 174.9 | -90.7 | -25 | 0 | 0 | 0 | 109.8 | M599 K603 | M599-D601 PolarHBondContact O-N 3.35Å; D601-K603 PolarHBondContact O-N 3.1Å; D601-K603 VanDerWaalsContact O-N 3.15Å | ||
| 602 | V | 41.7 | Very low | 51.2 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | trans | -78.2 | 92.4 | 162.4 | 179.7 | 0 | 0 | 0 | 0 | 106.6 | P600 T604 | P600-V602 PolarHBondContact O-N 2.86Å; V602-T604 PolarHBondContact O-N 3.37Å | ||
| 603 | K | 41.8 | Very low | 49.1 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | -69.2 | 111.6 | 163.8 | -76.4 | -173.2 | 176.4 | -176.3 | 0 | 108.8 | D601 E605 | D601-K603 PolarHBondContact O-N 3.1Å; D601-K603 VanDerWaalsContact O-N 3.15Å; K603-E605 PolarHBondContact O-N 3.16Å | ||
| 604 | T | 32.1 | Very low | 46.6 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 85% | 0.853 | 72% | 0.722 | S | S | * | * | trans | -69.4 | 97.4 | 167.8 | -4.6 | 0 | 0 | 0 | 0 | 109.2 | V602 | V602-T604 PolarHBondContact O-N 3.37Š| ||
| 605 | E | 37.6 | Very low | 44.1 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | trans | -118.4 | 129.1 | 159.3 | -77 | -175.8 | 179 | 0 | 0 | 109.2 | K603 | K603-E605 PolarHBondContact O-N 3.16Š| ||
| 606 | K | 31.2 | Very low | 41.5 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 88% | 0.878 | 75% | 0.752 | S | S | * | * | trans | -70.7 | 138.4 | 178.2 | -67.6 | 171.8 | 172.6 | 177.6 | 0 | 109.6 | ||||
| 607 | E | 33.3 | Very low | 39.2 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | 178 | 156.4 | 119.6 | -96 | -179.3 | -172.6 | 0 | 0 | 112.4 | |||||
| 608 | P | 35.2 | Very low | 37.6 | Very low | 111 Ų | 111 | 140 Ų | 140 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -103 | 155.6 | -153.5 | 38.6 | -32.9 | 0 | 0 | 0 | 116.3 | ||||
| 609 | E | 31.1 | Very low | 36 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | 46.8 | 113.2 | 145.8 | -73.7 | -169.3 | -166.4 | 0 | 0 | 120.5 | ||||
| 610 | K | 32.7 | Very low | 35 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | 162 | 141.8 | 83.9 | -111.6 | 164.4 | -172.5 | 167.5 | 0 | 114.4 | |||||
| 611 | A | 33.1 | Very low | 34.1 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 74.2 | 98.4 | 140.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 612 | A | 33.7 | Very low | 33.2 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | 56.3 | 118.1 | 115.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 613 | S | 36.5 | Very low | 32.8 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | 169.7 | 117 | 101.2 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 614 | E | 32.7 | Very low | 32.3 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | 44.5 | 117.9 | 132.4 | -62.4 | 179.6 | 175 | 0 | 0 | 121 | ||||
| 615 | D | 29.4 | Very low | 32.4 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | 176.5 | 145.2 | 81.6 | -123.3 | -18.6 | 0 | 0 | 0 | 114.5 | |||||
| 616 | S | 29.3 | Very low | 32.6 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 88.6 | 125.3 | 146.5 | 86.1 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 617 | V | 31 | Very low | 34.1 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 93.1 | 122.2 | 143.1 | -163.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 618 | S | 33.5 | Very low | 36.1 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | 101 | 141 | 146.7 | 69.8 | 0 | 0 | 0 | 0 | 121.3 | K620 | S618-K620 PolarHBondContact O-N 3.28Š| ||
| 619 | P | 30.7 | Very low | 38.2 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 81% | 0.805 | 73% | 0.726 | S | S | * | * | trans | -81.6 | 119 | -169.3 | 33.4 | -30.8 | 0 | 0 | 0 | 110.7 | T621 | P619-T621 PolarHBondContact O-N 3.49Š| ||
| 620 | K | 28.7 | Very low | 40.9 | Very low | 206 Ų | 206 | 115.9 Ų | 115.9 | 90% | 0.896 | 70% | 0.701 | S | S | * | * | trans | -86.1 | 101.4 | 168.9 | -72.4 | -177.6 | 179 | 175 | 0 | 109.5 | S618 G622 | S618-K620 PolarHBondContact O-N 3.28Å; K620-G622 PolarHBondContact O-N 3.33Å | ||
| 621 | T | 33.6 | Very low | 43.7 | Very low | 140 Ų | 140 | 110.4 Ų | 110.4 | 86% | 0.859 | 68% | 0.675 | S | S | * | * | trans | -63.2 | 118.3 | 153.2 | 42.8 | 0 | 0 | 0 | 0 | 108.3 | P619 | P619-T621 PolarHBondContact O-N 3.49Š| ||
| 622 | G | 27.4 | Very low | 46.5 | Very low | 77 Ų | 77 | 106.1 Ų | 106.1 | 79% | 0.794 | 64% | 0.639 | S | S | * | * | trans | -72.6 | 143.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K620 | K620-G622 PolarHBondContact O-N 3.33Š| ||
| 623 | S | 35.2 | Very low | 49.4 | Very low | 113 Ų | 113 | 101.7 Ų | 101.7 | 79% | 0.79 | 60% | 0.602 | S | S | * | * | trans | -159.2 | 104.4 | 141.6 | 175.1 | 0 | 0 | 0 | 0 | 107.9 | G625 | S623-G625 VanDerWaalsContact C-N 3.31Å; S623-G625 PolarHBondContact O-N 3.12Å | ||
| 624 | T | 30.6 | Very low | 52.2 | Low | 152 Ų | 152 | 96.6 Ų | 96.6 | 93% | 0.933 | 57% | 0.566 | S | S | * | * | trans | -71.8 | 83 | 168.3 | 33.1 | 0 | 0 | 0 | 0 | 109 | G626 | T624-G626 PolarHBondContact O-N 3.18Š| ||
| 625 | G | 34.8 | Very low | 55.1 | Low | 68 Ų | 68 | 88.3 Ų | 88.3 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | trans | -78.8 | 97.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S623 | S623-G625 VanDerWaalsContact C-N 3.31Å; S623-G625 PolarHBondContact O-N 3.12Å | ||
| 626 | G | 41.4 | Very low | 58.1 | Low | 45 Ų | 45 | 81.3 Ų | 81.3 | 46% | 0.464 | 49% | 0.491 | S | S | . | . | trans | -61.9 | 138 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T624 E628 | T624-G626 PolarHBondContact O-N 3.18Å; G626-E628 PolarHBondContact O-N 3.27Å | ||
| 627 | R | 62.2 | Low | 61.1 | Low | 198 Ų | 198 | 76.5 Ų | 76.5 | 75% | 0.747 | 46% | 0.457 | S | S | * | . | trans | -75.9 | 115.5 | 179.6 | -119.3 | 179.7 | 174.5 | -178.9 | -2.2 | 109.3 | L598 | L598-R627 WeakPolarHBondContact CB-O 3.31Å; L598-R627 HydrophobicContact CD1-CB 4.36Å; L598-R627 PolarHBondContact N-O 3.43Å; L598-R627 VanDerWaalsContact N-O 3.14Å | ||
| 628 | E | 74.4 | Confident | 64 | Low | 73 Ų | 73 | 70.6 Ų | 70.6 | 34% | 0.341 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 131.4 | 172.8 | -55.8 | -167.9 | 159.2 | 0 | 0 | 110.3 | V595 K597 G626 Y630 | V595-E628 HydrophobicContact CG1-CB 4.27Å; K597-E628 WeakPolarHBondContact CE-OE1 3.39Å; K597-E628 HydrophobicContact CG-CG 4.24Å; K597-E628 IonicContact NZ-OE1 2.76Å; G626-E628 PolarHBondContact O-N 3.27Å; E628-Y630 HydrophobicContact CB-CE1 4.46Å; E628-Y630 HydrophobicContact CB-CE2 4.23Å; E628-Y630 PolarHBondContact OE2-OH 3.36Å |
| 629 | L | 80.7 | Confident | 66.6 | Low | 51 Ų | 51 | 71.6 Ų | 71.6 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121 | 174.2 | -89.3 | 168.3 | 0 | 0 | 0 | 109.7 | E596 L598 | E596-L629 HydrophobicContact CB-CB 4.28Å; E596-L629 PolarHBondContact N-O 2.73Å; E596-L629 PolarHBondContact O-N 3.43Å; L598-L629 HydrophobicContact CD1-CD1 3.48Å; L598-L629 VanDerWaalsContact CD1-CD1 3.48Å; L598-L629 HydrophobicContact CD1-CG 3.94Å; L598-L629 HydrophobicContact CD2-CD1 4.06Å; L598-L629 HydrophobicContact CG-CD1 3.8Å; L598-L629 HydrophobicContact CG-CG 4.42Å |
| 630 | Y | 86.6 | Confident | 69.3 | Low | 52 Ų | 52 | 71.2 Ų | 71.2 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.2 | 178.1 | -55.1 | -78.3 | 0 | 0 | 0 | 111 | F549 C551 Y552 V595 E628 G650 | F549-Y630 HydrophobicContact CB-CD1 4.07Å; F549-Y630 HydrophobicContact CB-CE1 4.47Å; F549-Y630 HydrophobicContact CB-CG 4.27Å; F549-Y630 HydrophobicContact CD1-CD1 4.33Å; F549-Y630 HydrophobicContact CD1-CE1 4.4Å; F549-Y630 AromaticContact CD2-CD1 3.57Å; F549-Y630 HydrophobicContact CD2-CD1 3.57Å; F549-Y630 HydrophobicContact CD2-CE1 4.4Å; F549-Y630 HydrophobicContact CD2-CG 4.11Å; F549-Y630 HydrophobicContact CE2-CD1 4Å; F549-Y630 AromaticContact CG-CD1 3.74Å; F549-Y630 HydrophobicContact CG-CD1 3.74Å; F549-Y630 HydrophobicContact CG-CE1 4.2Å; F549-Y630 HydrophobicContact CG-CG 4.35Å; C551-Y630 HydrophobicContact CB-CD2 4.11Å; Y552-Y630 PolarHBondContact OH-O 2.88Å; V595-Y630 HydrophobicContact CB-CD1 4.47Å; V595-Y630 HydrophobicContact CG1-CD1 4.12Å; V595-Y630 HydrophobicContact CG1-CE1 3.83Å; V595-Y630 HydrophobicContact CG2-CD1 3.84Å; V595-Y630 HydrophobicContact CG2-CE1 3.98Å; E628-Y630 HydrophobicContact CB-CE1 4.46Å; E628-Y630 HydrophobicContact CB-CE2 4.23Å; E628-Y630 PolarHBondContact OE2-OH 3.36Å; Y630-G650 PolarHBondContact O-N 3.41Å |
| 631 | R | 92 | Very high | 72.2 | Confident | 68 Ų | 68 | 62.4 Ų | 62.4 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.3 | 168.1 | 179 | -177.4 | 179 | -95.6 | -4.6 | 108.9 | H593 Q594 V647 V648 K649 | H593-R631 CarbonylContact C-O 3.55Å; H593-R631 WeakPolarHBondContact CA-O 3.35Å; H593-R631 WeakPolarHBondContact CB-O 3.49Å; Q594-R631 HydrophobicContact CB-CB 4.15Å; Q594-R631 PolarHBondContact N-O 2.82Å; Q594-R631 PolarHBondContact O-N 2.89Å; R631-V647 HydrophobicContact CG-CG1 4.09Å; R631-V648 CarbonylContact C-O 3.58Å; R631-V648 VanDerWaalsContact CA-O 3.27Å; R631-V648 WeakPolarHBondContact CA-O 3.13Å; R631-K649 HydrophobicContact CB-CB 4.3Å; R631-K649 HydrophobicContact CB-CD 4.45Å; R631-K649 HydrophobicContact CB-CG 4.12Å; R631-K649 HydrophobicContact CG-CB 4.21Å; R631-K649 HydrophobicContact CG-CG 4.41Å |
| 632 | E | 93.3 | Very high | 74.9 | Confident | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 153.2 | -178 | -61.3 | -170.9 | 81.6 | 0 | 0 | 111 | S547 H548 F549 C551 Y552 W588 H593 V648 | S547-E632 VanDerWaalsContact CB-CD 3.46Å; S547-E632 VanDerWaalsContact CB-OE1 3.28Å; S547-E632 WeakPolarHBondContact CB-OE1 3.41Å; S547-E632 WeakPolarHBondContact CB-OE2 3.5Å; S547-E632 VanDerWaalsContact OG-CD 3.3Å; S547-E632 PolarHBondContact OG-OE1 3.11Å; S547-E632 PolarHBondContact OG-OE2 3.36Å; H548-E632 WeakPolarHBondContact CA-OE1 3.4Å; H548-E632 WeakPolarHBondContact CB-OE1 3.47Å; H548-E632 PolarHBondContact N-OE1 3.3Å; F549-E632 HydrophobicContact CD2-CG 3.86Å; F549-E632 PolarHBondContact N-OE1 3.35Å; C551-E632 PolarHBondContact SG-OE2 2.93Å; Y552-E632 HydrophobicContact CD2-CB 4.31Å; Y552-E632 HydrophobicContact CD2-CG 4.36Å; Y552-E632 WeakPolarHBondContact CD2-OE2 3.49Å; Y552-E632 HydrophobicContact CE2-CB 4.38Å; Y552-E632 HydrophobicContact CE2-CG 4.24Å; Y552-E632 WeakPolarHBondContact CE2-OE2 3.17Å; W588-E632 HydrophobicContact CE3-CB 4.02Å; W588-E632 HydrophobicContact CZ3-CB 3.87Å; H593-E632 HydrophobicContact CB-CG 4.44Å; E632-V648 PolarHBondContact N-O 2.86Å; E632-V648 PolarHBondContact O-N 2.91Å |
| 633 | N | 93.5 | Very high | 77.9 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.4 | -176.3 | -69.8 | -64.9 | 0 | 0 | 0 | 110 | W588 S589 H592 H645 V647 | W588-N633 CarbonylContact C-O 3.58Å; W588-N633 WeakPolarHBondContact CA-O 3.22Å; S589-N633 PolarHBondContact N-O 3.02Å; H592-N633 PolarHBondContact O-ND2 3.48Å; N633-H645 PolarHBondContact OD1-CE1 3.02Å; N633-H645 PolarHBondContact OD1-NE2 2.62Å; N633-V647 WeakPolarHBondContact OD1-CG2 3.01Å |
| 634 | L | 94.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.6 | 175.7 | 173.8 | 67.7 | 0 | 0 | 0 | 108.9 | A554 L562 M586 W588 I636 I646 | A554-L634 HydrophobicContact CB-CD2 3.86Å; L562-L634 HydrophobicContact CD2-CD2 4.02Å; M586-L634 HydrophobicContact CB-CD1 4.19Å; W588-L634 HydrophobicContact CD2-CB 4.04Å; W588-L634 HydrophobicContact CD2-CD1 3.9Å; W588-L634 HydrophobicContact CE3-CB 3.73Å; W588-L634 HydrophobicContact CE3-CD1 4.47Å; W588-L634 HydrophobicContact CG-CD1 4.09Å; W588-L634 HydrophobicContact CH2-CB 4.11Å; W588-L634 HydrophobicContact CH2-CD2 4.49Å; W588-L634 HydrophobicContact CZ2-CB 4.38Å; W588-L634 HydrophobicContact CZ2-CD1 4.39Å; W588-L634 HydrophobicContact CZ2-CD2 4.28Å; W588-L634 HydrophobicContact CZ3-CB 3.77Å; L634-I636 HydrophobicContact CD2-CD1 4.44Å; L634-I636 HydrophobicContact CD2-CG1 4.39Å; L634-I636 HydrophobicContact CG-CG1 4.32Å; L634-I646 HydrophobicContact CB-CB 4.24Å; L634-I646 PolarHBondContact N-O 3.15Å; L634-I646 PolarHBondContact O-N 2.81Å |
| 635 | V | 93.6 | Very high | 83.6 | Confident | 5 Ų | 5 | 47.9 Ų | 47.9 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 144.2 | 168.9 | -124.7 | 0 | 0 | 0 | 0 | 110.7 | M586 S587 L643 W644 H645 W674 | M586-V635 CarbonylContact C-O 3.58Å; M586-V635 VanDerWaalsContact CA-O 3.23Å; M586-V635 WeakPolarHBondContact CA-O 3.33Å; M586-V635 WeakPolarHBondContact CB-O 3.46Å; S587-V635 PolarHBondContact N-O 3.45Å; S587-V635 PolarHBondContact O-N 3.24Å; V635-L643 HydrophobicContact CB-CD1 4.02Å; V635-L643 HydrophobicContact CB-CG 4.4Å; V635-L643 HydrophobicContact CG1-CD1 3.59Å; V635-L643 HydrophobicContact CG1-CD2 3.79Å; V635-L643 HydrophobicContact CG1-CG 3.44Å; V635-L643 VanDerWaalsContact CG1-CG 3.44Å; V635-W644 CarbonylContact C-O 3.53Å; V635-W644 VanDerWaalsContact CA-O 3.28Å; V635-W644 WeakPolarHBondContact CA-O 3.11Å; V635-W644 VanDerWaalsContact CG1-O 3.31Å; V635-W644 WeakPolarHBondContact CG1-O 3.4Å; V635-H645 HydrophobicContact CG1-CB 4.41Å; V635-W674 HydrophobicContact CG2-CD2 4.16Å; V635-W674 HydrophobicContact CG2-CE3 3.22Å; V635-W674 HydrophobicContact CG2-CH2 3.84Å; V635-W674 HydrophobicContact CG2-CZ3 3.03Å |
| 636 | I | 93.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.9 | -176 | -61.9 | 163.4 | 0 | 0 | 0 | 108.3 | L562 V583 M586 L634 L643 W644 I646 | L562-I636 HydrophobicContact CD2-CD1 3.54Å; L562-I636 HydrophobicContact CD2-CG1 4.46Å; V583-I636 HydrophobicContact CB-CG2 4.16Å; V583-I636 HydrophobicContact CG1-CG2 3.97Å; V583-I636 HydrophobicContact CG2-CG2 3.73Å; M586-I636 HydrophobicContact CB-CG1 4.12Å; L634-I636 HydrophobicContact CD2-CD1 4.44Å; L634-I636 HydrophobicContact CD2-CG1 4.39Å; L634-I636 HydrophobicContact CG-CG1 4.32Å; I636-L643 CarbonylContact O-C 3.5Å; I636-L643 WeakPolarHBondContact O-CA 3.31Å; I636-W644 HydrophobicContact CB-CB 4.21Å; I636-W644 PolarHBondContact N-O 2.8Å; I636-W644 PolarHBondContact O-N 3.06Å; I636-I646 HydrophobicContact CD1-CD1 3.32Å; I636-I646 HydrophobicContact CD1-CG1 3.9Å |
| 637 | L | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.7 | 173.3 | 179.4 | 72.7 | 0 | 0 | 0 | 109.9 | V584 D585 W663 V669 M672 | V584-L637 HydrophobicContact CB-CD2 4.31Å; V584-L637 HydrophobicContact CB-CG 4.4Å; V584-L637 HydrophobicContact CG1-CD2 4.2Å; V584-L637 PolarHBondContact N-O 2.97Å; D585-L637 PolarHBondContact O-N 3.28Å; L637-W663 HydrophobicContact CD1-CZ2 4.34Å; L637-V669 HydrophobicContact CD1-CB 4.31Å; L637-V669 HydrophobicContact CD1-CG1 4.39Å; L637-V669 HydrophobicContact CD2-CB 3.7Å; L637-V669 HydrophobicContact CD2-CG1 3.34Å; L637-V669 HydrophobicContact CG-CG1 4.48Å; L637-M672 HydrophobicContact CB-CE 3.98Å; L637-M672 HydrophobicContact CB-SD 4.45Å |
| 638 | D | 90.8 | Very high | 90.2 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.027 | 16% | 0.163 | C | C | . | . | trans | -103.9 | 176.6 | 170.6 | 70.5 | 23.2 | 0 | 0 | 0 | 113.4 | P581 V584 E640 N641 H642 W644 | P581-D638 HydrophobicContact CB-CB 3.54Å; P581-D638 HydrophobicContact CG-CB 3.52Å; V584-D638 VanDerWaalsContact CG2-C 3.5Å; D638-E640 PolarHBondContact O-N 2.82Å; D638-E640 WeakPolarHBondContact OD1-CA 3.47Å; D638-E640 PolarHBondContact OD1-N 3.1Å; D638-N641 PolarHBondContact O-N 3.35Å; D638-N641 PolarHBondContact OD1-N 2.95Å; D638-N641 VanDerWaalsContact OD1-N 3.15Å; D638-H642 PolarHBondContact N-O 2.87Å; D638-H642 VanDerWaalsContact N-O 3.13Å; D638-H642 IonicContact OD1-CG 3.8Å; D638-H642 PolarHBondContact OD1-N 3.2Å; D638-H642 IonicContact OD1-ND1 3.11Å; D638-H642 WeakPolarHBondContact OD2-CB 3.48Å; D638-H642 IonicContact OD2-CG 3.6Å; D638-H642 IonicContact OD2-ND1 3.62Å; D638-H642 PolarHBondContact OD2-ND1 2.88Å; D638-W644 PolarHBondContact OD2-NE1 3.36Å; D638-W644 VanDerWaalsContact OD2-NE1 3.1Å | ||
| 639 | F | 88.8 | Confident | 90.9 | Very high | 118 Ų | 118 | 35.4 Ų | 35.4 | 52% | 0.518 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -13 | -178.5 | 61.4 | -87.9 | 0 | 0 | 0 | 113.9 | P581 V584 | P581-F639 HydrophobicContact CB-CE1 4.5Å; V584-F639 HydrophobicContact CG2-CB 4.14Å |
| 640 | E | 88 | Confident | 91.1 | Very high | 116 Ų | 116 | 33.4 Ų | 33.4 | 54% | 0.542 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 9 | 176.2 | -58.5 | -174.3 | 162.9 | 0 | 0 | 111.7 | D638 H642 | D638-E640 PolarHBondContact O-N 2.82Å; D638-E640 WeakPolarHBondContact OD1-CA 3.47Å; D638-E640 PolarHBondContact OD1-N 3.1Å; E640-H642 PolarHBondContact O-N 2.84Å; E640-H642 IonicContact OE2-CE1 3.31Å; E640-H642 PolarHBondContact OE2-CE1 2.97Å; E640-H642 IonicContact OE2-ND1 3.22Å; E640-H642 PolarHBondContact OE2-ND1 2.9Å |
| 641 | N | 89 | Confident | 90.9 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 65.1 | 20 | -176.1 | -56 | -16.9 | 0 | 0 | 0 | 114.1 | D638 T665 G667 V669 | D638-N641 PolarHBondContact O-N 3.35Å; D638-N641 PolarHBondContact OD1-N 2.95Å; D638-N641 VanDerWaalsContact OD1-N 3.15Å; N641-T665 PolarHBondContact ND2-OG1 3.36Å; N641-T665 VanDerWaalsContact ND2-OG1 3.1Å; N641-G667 PolarHBondContact ND2-O 3.43Å; N641-G667 VanDerWaalsContact ND2-O 3.1Å; N641-V669 HydrophobicContact CB-CG2 4.3Å; N641-V669 PolarHBondContact OD1-N 2.96Å |
| 642 | H | 90.4 | Very high | 90.5 | Very high | 62 Ų | 62 | 41.4 Ų | 41.4 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | trans | -82 | 144.4 | 171.7 | -51 | 122.9 | 0 | 0 | 0 | 111.1 | D638 E640 E658 | D638-H642 PolarHBondContact N-O 2.87Å; D638-H642 VanDerWaalsContact N-O 3.13Å; D638-H642 IonicContact OD1-CG 3.8Å; D638-H642 PolarHBondContact OD1-N 3.2Å; D638-H642 IonicContact OD1-ND1 3.11Å; D638-H642 WeakPolarHBondContact OD2-CB 3.48Å; D638-H642 IonicContact OD2-CG 3.6Å; D638-H642 IonicContact OD2-ND1 3.62Å; D638-H642 PolarHBondContact OD2-ND1 2.88Å; E640-H642 PolarHBondContact O-N 2.84Å; E640-H642 IonicContact OE2-CE1 3.31Å; E640-H642 PolarHBondContact OE2-CE1 2.97Å; E640-H642 IonicContact OE2-ND1 3.22Å; E640-H642 PolarHBondContact OE2-ND1 2.9Å; H642-E658 HydrophobicContact CB-CG 4.21Å; H642-E658 IonicContact CD2-OE1 2.76Å; H642-E658 IonicContact CG-OE1 2.81Å | ||
| 643 | L | 91.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.7 | -178.5 | -169 | 73.3 | 0 | 0 | 0 | 109.8 | V635 I636 E658 V659 T661 W663 M672 L679 W691 | V635-L643 HydrophobicContact CB-CD1 4.02Å; V635-L643 HydrophobicContact CB-CG 4.4Å; V635-L643 HydrophobicContact CG1-CD1 3.59Å; V635-L643 HydrophobicContact CG1-CD2 3.79Å; V635-L643 HydrophobicContact CG1-CG 3.44Å; V635-L643 VanDerWaalsContact CG1-CG 3.44Å; I636-L643 CarbonylContact O-C 3.5Å; I636-L643 WeakPolarHBondContact O-CA 3.31Å; L643-E658 CarbonylContact O-C 3.54Å; L643-V659 HydrophobicContact CB-CB 4.39Å; L643-V659 HydrophobicContact CD2-CB 4.41Å; L643-V659 WeakPolarHBondContact O-CB 3.43Å; L643-V659 PolarHBondContact O-N 3.4Å; L643-T661 HydrophobicContact CB-CG2 3.66Å; L643-T661 HydrophobicContact CD2-CG2 4Å; L643-T661 HydrophobicContact CG-CG2 4.49Å; L643-W663 HydrophobicContact CB-CZ2 4.25Å; L643-W663 HydrophobicContact CD1-CH2 3.97Å; L643-W663 HydrophobicContact CD1-CZ2 4.44Å; L643-W663 HydrophobicContact CD2-CH2 4.35Å; L643-M672 HydrophobicContact CD1-CE 3.97Å; L643-M672 HydrophobicContact CD1-SD 3.67Å; L643-L679 HydrophobicContact CD2-CD1 4.18Å; L643-W691 HydrophobicContact CD2-CZ3 3.77Å |
| 644 | W | 91.8 | Very high | 89.8 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 19% | 0.189 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.7 | -178.2 | -67.6 | 74.7 | 0 | 0 | 0 | 110.9 | P581 V635 I636 D638 R657 E658 | P581-W644 HydrophobicContact CG-CD2 4.39Å; P581-W644 HydrophobicContact CG-CG 4.47Å; P581-W644 HydrophobicContact CG-CZ2 4.22Å; V635-W644 CarbonylContact C-O 3.53Å; V635-W644 VanDerWaalsContact CA-O 3.28Å; V635-W644 WeakPolarHBondContact CA-O 3.11Å; V635-W644 VanDerWaalsContact CG1-O 3.31Å; V635-W644 WeakPolarHBondContact CG1-O 3.4Å; I636-W644 HydrophobicContact CB-CB 4.21Å; I636-W644 PolarHBondContact N-O 2.8Å; I636-W644 PolarHBondContact O-N 3.06Å; D638-W644 PolarHBondContact OD2-NE1 3.36Å; D638-W644 VanDerWaalsContact OD2-NE1 3.1Å; W644-R657 CarbonylContact C-O 3.58Å; W644-R657 WeakPolarHBondContact CA-O 3.26Å; W644-E658 HydrophobicContact CD2-CB 4.26Å; W644-E658 HydrophobicContact CE3-CB 4.36Å; W644-E658 HydrophobicContact CH2-CB 4.42Å; W644-E658 HydrophobicContact CZ2-CB 4.32Å; W644-E658 HydrophobicContact CZ2-CG 4.49Å; W644-E658 HydrophobicContact CZ3-CB 4.44Å |
| 645 | H | 92 | Very high | 89.1 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 28% | 0.282 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.3 | -179.3 | 176.8 | -130.9 | 0 | 0 | 0 | 111.9 | N633 V635 V647 G656 R657 V659 | N633-H645 PolarHBondContact OD1-CE1 3.02Å; N633-H645 PolarHBondContact OD1-NE2 2.62Å; V635-H645 HydrophobicContact CG1-CB 4.41Å; H645-V647 VanDerWaalsContact CE1-CG2 3.44Å; H645-V647 WeakPolarHBondContact CE1-CG2 3.23Å; H645-G656 CarbonylContact O-C 3.53Å; H645-G656 VanDerWaalsContact O-CA 3.23Å; H645-G656 WeakPolarHBondContact O-CA 3.37Å; H645-R657 PolarHBondContact N-O 2.93Å; H645-R657 PolarHBondContact O-N 3.24Å; H645-V659 HydrophobicContact CB-CG2 3.58Å |
| 646 | I | 92.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.2 | 177.3 | -53.7 | -160.7 | 0 | 0 | 0 | 109.3 | L562 M576 L634 I636 V648 V653 | L562-I646 HydrophobicContact CD2-CD1 4.01Å; M576-I646 HydrophobicContact CE-CD1 3.58Å; M576-I646 HydrophobicContact CE-CG2 4.01Å; M576-I646 HydrophobicContact CG-CD1 4.45Å; M576-I646 HydrophobicContact SD-CD1 3.97Å; L634-I646 HydrophobicContact CB-CB 4.24Å; L634-I646 PolarHBondContact N-O 3.15Å; L634-I646 PolarHBondContact O-N 2.81Å; I636-I646 HydrophobicContact CD1-CD1 3.32Å; I636-I646 HydrophobicContact CD1-CG1 3.9Å; I646-V648 HydrophobicContact CG2-CG2 4.24Å; I646-V653 HydrophobicContact CG2-CG1 4.15Å |
| 647 | V | 92.6 | Very high | 88.3 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.6 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 109 | R631 N633 H645 | R631-V647 HydrophobicContact CG-CG1 4.09Å; N633-V647 WeakPolarHBondContact OD1-CG2 3.01Å; H645-V647 VanDerWaalsContact CE1-CG2 3.44Å; H645-V647 WeakPolarHBondContact CE1-CG2 3.23Å |
| 648 | V | 92.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.4 | 177 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | Y552 V564 L573 W588 R631 E632 I646 V653 | Y552-V648 HydrophobicContact CD1-CG1 3.71Å; Y552-V648 HydrophobicContact CD2-CB 4.24Å; Y552-V648 HydrophobicContact CD2-CG1 3.53Å; Y552-V648 HydrophobicContact CE1-CG1 3.72Å; Y552-V648 HydrophobicContact CE2-CB 4.3Å; Y552-V648 HydrophobicContact CE2-CG1 3.55Å; Y552-V648 HydrophobicContact CG-CG1 3.63Å; V564-V648 HydrophobicContact CG1-CG1 4.42Å; V564-V648 HydrophobicContact CG1-CG2 4.11Å; L573-V648 HydrophobicContact CD1-CG1 4.32Å; W588-V648 HydrophobicContact CH2-CB 4.34Å; W588-V648 HydrophobicContact CH2-CG2 3.82Å; W588-V648 HydrophobicContact CZ3-CB 4.28Å; W588-V648 HydrophobicContact CZ3-CG2 4Å; R631-V648 CarbonylContact C-O 3.58Å; R631-V648 VanDerWaalsContact CA-O 3.27Å; R631-V648 WeakPolarHBondContact CA-O 3.13Å; E632-V648 PolarHBondContact N-O 2.86Å; E632-V648 PolarHBondContact O-N 2.91Å; I646-V648 HydrophobicContact CG2-CG2 4.24Å; V648-V653 HydrophobicContact CB-CG2 4.31Å; V648-V653 HydrophobicContact CG1-CG2 3.81Å; V648-V653 HydrophobicContact CG2-CG1 4.19Å; V648-V653 HydrophobicContact CG2-CG2 4.16Å |
| 649 | K | 89.3 | Confident | 88.1 | Confident | 72 Ų | 72 | 69.6 Ų | 69.6 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 96.9 | 178.3 | -175.1 | 176.1 | 177.3 | 173.4 | 0 | 110.5 | E596 R631 M651 H652 | E596-K649 IonicContact OE1-NZ 3.88Å; E596-K649 PolarHBondContact OE1-NZ 3.08Å; E596-K649 WeakPolarHBondContact OE2-CE 3.48Å; E596-K649 IonicContact OE2-NZ 3.97Å; E596-K649 PolarHBondContact OE2-NZ 2.63Å; R631-K649 HydrophobicContact CB-CB 4.3Å; R631-K649 HydrophobicContact CB-CD 4.45Å; R631-K649 HydrophobicContact CB-CG 4.12Å; R631-K649 HydrophobicContact CG-CB 4.21Å; R631-K649 HydrophobicContact CG-CG 4.41Å; K649-M651 PolarHBondContact O-N 2.86Å; K649-H652 PolarHBondContact N-O 2.95Å; K649-H652 WeakPolarHBondContact O-CB 3.23Å; K649-H652 PolarHBondContact O-N 3.36Å |
| 650 | G | 83.6 | Confident | 87.8 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | -123.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y552 Y630 H652 | Y552-G650 VanDerWaalsContact OH-CA 3.28Å; Y552-G650 WeakPolarHBondContact OH-CA 3.35Å; Y552-G650 PolarHBondContact OH-N 3.22Å; Y630-G650 PolarHBondContact O-N 3.41Å; G650-H652 VanDerWaalsContact C-N 3.29Å; G650-H652 PolarHBondContact O-N 2.92Å |
| 651 | M | 82.6 | Confident | 87.4 | Confident | 133 Ų | 133 | 69.5 Ų | 69.5 | 66% | 0.655 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.1 | 176.7 | -60.2 | -157 | 74 | 0 | 0 | 114.6 | K649 | K649-M651 PolarHBondContact O-N 2.86Š|
| 652 | H | 84.5 | Confident | 86.7 | Confident | 155 Ų | 155 | 75.9 Ų | 75.9 | 72% | 0.718 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 106.5 | -176.5 | -64.3 | 89.8 | 0 | 0 | 0 | 110.8 | K649 G650 | K649-H652 PolarHBondContact N-O 2.95Å; K649-H652 WeakPolarHBondContact O-CB 3.23Å; K649-H652 PolarHBondContact O-N 3.36Å; G650-H652 VanDerWaalsContact C-N 3.29Å; G650-H652 PolarHBondContact O-N 2.92Å |
| 653 | V | 87.1 | Confident | 86.1 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.7 | 173.2 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | L573 R574 M576 I646 V648 | L573-V653 HydrophobicContact CB-CG2 3.94Å; L573-V653 HydrophobicContact CD1-CG2 4.16Å; R574-V653 HydrophobicContact CB-CB 3.78Å; R574-V653 HydrophobicContact CB-CG1 3.86Å; R574-V653 HydrophobicContact CG-CB 4.29Å; R574-V653 HydrophobicContact CG-CG1 4.16Å; R574-V653 PolarHBondContact NH1-O 3.45Å; R574-V653 VanDerWaalsContact NH1-O 3.09Å; M576-V653 HydrophobicContact CE-CG1 3.71Å; I646-V653 HydrophobicContact CG2-CG1 4.15Å; V648-V653 HydrophobicContact CB-CG2 4.31Å; V648-V653 HydrophobicContact CG1-CG2 3.81Å; V648-V653 HydrophobicContact CG2-CG1 4.19Å; V648-V653 HydrophobicContact CG2-CG2 4.16Å |
| 654 | R | 84.4 | Confident | 85.2 | Confident | 191 Ų | 191 | 78 Ų | 78 | 72% | 0.721 | 37% | 0.366 | S | S | * | . | trans | -110.2 | 158.5 | 176.5 | -58.1 | -170.6 | -159.3 | -157.3 | 5.8 | 110.2 | ||||
| 655 | D | 80 | Confident | 84.3 | Confident | 55 Ų | 55 | 78 Ų | 78 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | trans | -57.6 | 140.3 | 169.2 | -69.8 | 24.2 | 0 | 0 | 0 | 109.6 | R574 S577 | R574-D655 IonicContact CZ-OD1 3.89Å; R574-D655 IonicContact NE-OD1 3.41Å; R574-D655 PolarHBondContact NE-OD1 3.48Å; R574-D655 IonicContact NH2-OD1 4Å; R574-D655 PolarHBondContact NH2-OD1 3.15Å; S577-D655 WeakPolarHBondContact CB-OD2 3.2Å; S577-D655 PolarHBondContact OG-OD2 3.15Å | ||
| 656 | G | 82.8 | Confident | 83.4 | Confident | 13 Ų | 13 | 76.7 Ų | 76.7 | 13% | 0.134 | 38% | 0.375 | C | S | . | . | trans | -62.5 | 154.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | H645 | H645-G656 CarbonylContact O-C 3.53Å; H645-G656 VanDerWaalsContact O-CA 3.23Å; H645-G656 WeakPolarHBondContact O-CA 3.37Å | ||
| 657 | R | 88.5 | Confident | 83 | Confident | 192 Ų | 192 | 77.3 Ų | 77.3 | 73% | 0.725 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.6 | 171.8 | -66.9 | -178.1 | 179.4 | -176.5 | -2.3 | 109.5 | W644 H645 V659 | W644-R657 CarbonylContact C-O 3.58Å; W644-R657 WeakPolarHBondContact CA-O 3.26Å; H645-R657 PolarHBondContact N-O 2.93Å; H645-R657 PolarHBondContact O-N 3.24Å; R657-V659 PolarHBondContact O-N 3.38Å |
| 658 | E | 89.2 | Confident | 82.9 | Confident | 103 Ų | 103 | 77.6 Ų | 77.6 | 48% | 0.481 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 132.2 | 171.7 | -163.4 | -169.5 | 149.5 | 0 | 0 | 110.4 | H642 L643 W644 | H642-E658 HydrophobicContact CB-CG 4.21Å; H642-E658 IonicContact CD2-OE1 2.76Å; H642-E658 IonicContact CG-OE1 2.81Å; L643-E658 CarbonylContact O-C 3.54Å; W644-E658 HydrophobicContact CD2-CB 4.26Å; W644-E658 HydrophobicContact CE3-CB 4.36Å; W644-E658 HydrophobicContact CH2-CB 4.42Å; W644-E658 HydrophobicContact CZ2-CB 4.32Å; W644-E658 HydrophobicContact CZ2-CG 4.49Å; W644-E658 HydrophobicContact CZ3-CB 4.44Å |
| 659 | V | 88.4 | Confident | 83 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.8 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | L643 H645 R657 T661 | L643-V659 HydrophobicContact CB-CB 4.39Å; L643-V659 HydrophobicContact CD2-CB 4.41Å; L643-V659 WeakPolarHBondContact O-CB 3.43Å; L643-V659 PolarHBondContact O-N 3.4Å; H645-V659 HydrophobicContact CB-CG2 3.58Å; R657-V659 PolarHBondContact O-N 3.38Å; V659-T661 PolarHBondContact O-N 3.11Å |
| 660 | K | 83.1 | Confident | 83.2 | Confident | 197 Ų | 197 | 76.1 Ų | 76.1 | 86% | 0.857 | 38% | 0.383 | S | S | * | . | trans | -68.4 | 106.8 | 172.9 | -70 | -173.8 | 176.7 | -175.1 | 0 | 109.8 | ||||
| 661 | T | 80.7 | Confident | 83.6 | Confident | 35 Ų | 35 | 75.9 Ų | 75.9 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | trans | -94.4 | 138.5 | 177.1 | 51.5 | 0 | 0 | 0 | 0 | 111 | L643 V659 W663 W691 | L643-T661 HydrophobicContact CB-CG2 3.66Å; L643-T661 HydrophobicContact CD2-CG2 4Å; L643-T661 HydrophobicContact CG-CG2 4.49Å; V659-T661 PolarHBondContact O-N 3.11Å; T661-W663 VanDerWaalsContact CB-CD1 3.48Å; T661-W663 HydrophobicContact CG2-CD2 4.16Å; T661-W663 HydrophobicContact CG2-CZ2 4.01Å; T661-W663 PolarHBondContact OG1-NE1 3.25Å; T661-W663 VanDerWaalsContact OG1-NE1 3.11Å; T661-W691 HydrophobicContact CG2-CH2 3.92Å; T661-W691 HydrophobicContact CG2-CZ3 3.96Å | ||
| 662 | Q | 73.7 | Confident | 84.2 | Confident | 156 Ų | 156 | 69.7 Ų | 69.7 | 73% | 0.729 | 35% | 0.349 | S | S | * | . | trans | -104.8 | 9.7 | 172.7 | -67.3 | -176.1 | -5.5 | 0 | 0 | 112.5 | ||||
| 663 | W | 78.5 | Confident | 84.6 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | trans | -67.7 | 145.1 | 180 | 56.8 | 17 | 0 | 0 | 0 | 111.4 | L637 L643 T661 M672 L679 F681 W691 | L637-W663 HydrophobicContact CD1-CZ2 4.34Å; L643-W663 HydrophobicContact CB-CZ2 4.25Å; L643-W663 HydrophobicContact CD1-CH2 3.97Å; L643-W663 HydrophobicContact CD1-CZ2 4.44Å; L643-W663 HydrophobicContact CD2-CH2 4.35Å; T661-W663 VanDerWaalsContact CB-CD1 3.48Å; T661-W663 HydrophobicContact CG2-CD2 4.16Å; T661-W663 HydrophobicContact CG2-CZ2 4.01Å; T661-W663 PolarHBondContact OG1-NE1 3.25Å; T661-W663 VanDerWaalsContact OG1-NE1 3.11Å; W663-M672 HydrophobicContact CH2-SD 4.19Å; W663-L679 HydrophobicContact CZ3-CB 4.41Å; W663-F681 HydrophobicContact CB-CE1 4.39Å; W663-F681 HydrophobicContact CB-CZ 3.97Å; W663-F681 AromaticContact CD2-CE1 3.95Å; W663-F681 HydrophobicContact CD2-CE1 3.95Å; W663-F681 AromaticContact CD2-CZ 3.99Å; W663-F681 HydrophobicContact CD2-CZ 3.99Å; W663-F681 AromaticContact CE3-CD1 3.67Å; W663-F681 HydrophobicContact CE3-CD1 3.67Å; W663-F681 AromaticContact CE3-CE1 3.23Å; W663-F681 HydrophobicContact CE3-CE1 3.23Å; W663-F681 AromaticContact CE3-CZ 3.77Å; W663-F681 HydrophobicContact CE3-CZ 3.77Å; W663-F681 HydrophobicContact CG-CE1 4.48Å; W663-F681 HydrophobicContact CG-CZ 4.14Å; W663-F681 HydrophobicContact CH2-CD1 4.4Å; W663-F681 AromaticContact CZ3-CD1 3.58Å; W663-F681 HydrophobicContact CZ3-CD1 3.58Å; W663-F681 AromaticContact CZ3-CE1 3.69Å; W663-F681 HydrophobicContact CZ3-CE1 3.69Å; W663-F681 HydrophobicContact CZ3-CG 4.31Å; W663-F681 HydrophobicContact CZ3-CZ 4.46Å; W663-W691 HydrophobicContact CB-CG 4.33Å; W663-W691 HydrophobicContact CD2-CD2 4.49Å; W663-W691 HydrophobicContact CD2-CE3 4.26Å; W663-W691 HydrophobicContact CE3-CB 3.83Å; W663-W691 AromaticContact CE3-CD2 3.8Å; W663-W691 HydrophobicContact CE3-CD2 3.8Å; W663-W691 AromaticContact CE3-CE3 3.43Å; W663-W691 HydrophobicContact CE3-CE3 3.43Å; W663-W691 VanDerWaalsContact CE3-CE3 3.43Å; W663-W691 AromaticContact CE3-CG 4Å; W663-W691 HydrophobicContact CE3-CG 4Å; W663-W691 HydrophobicContact CE3-CZ3 4.24Å; W663-W691 HydrophobicContact CZ3-CD2 4.46Å; W663-W691 AromaticContact CZ3-CE3 3.68Å; W663-W691 HydrophobicContact CZ3-CE3 3.68Å; W663-W691 HydrophobicContact CZ3-CZ3 4.32Å | ||
| 664 | T | 70.5 | Confident | 84.9 | Confident | 91 Ų | 91 | 63.3 Ų | 63.3 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | trans | -97 | 122.6 | 175.9 | 46.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 665 | T | 72.9 | Confident | 85.2 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | trans | -109.8 | 136.8 | 177.4 | 49.6 | 0 | 0 | 0 | 0 | 108.8 | N641 V669 F681 | N641-T665 PolarHBondContact ND2-OG1 3.36Å; N641-T665 VanDerWaalsContact ND2-OG1 3.1Å; T665-V669 HydrophobicContact CG2-CG2 3.39Å; T665-F681 HydrophobicContact CG2-CD2 4.26Å; T665-F681 HydrophobicContact CG2-CE2 3.66Å; T665-F681 HydrophobicContact CG2-CZ 4.46Å | ||
| 666 | G | 73.1 | Confident | 85.6 | Confident | 35 Ų | 35 | 54.8 Ų | 54.8 | 36% | 0.361 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -81.4 | -44.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D683 | G666-D683 WeakPolarHBondContact CA-OD2 3.41Å; G666-D683 PolarHBondContact N-OD2 3.46Å |
| 667 | G | 85.3 | Confident | 86 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -127.7 | -164.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N641 V669 D683 | N641-G667 PolarHBondContact ND2-O 3.43Å; N641-G667 VanDerWaalsContact ND2-O 3.1Å; G667-V669 PolarHBondContact O-N 2.87Å; G667-D683 PolarHBondContact N-OD2 2.97Å |
| 668 | S | 91.2 | Very high | 86.1 | Confident | 53 Ų | 53 | 46.6 Ų | 46.6 | 37% | 0.371 | 25% | 0.253 | S | S | . | . | trans | -69.3 | 127.7 | 173 | -178.9 | 0 | 0 | 0 | 0 | 109 | T670 D683 S684 | S668-T670 PolarHBondContact O-N 3.45Å; S668-D683 CarbonylContact O-C 3.6Å; S668-D683 VanDerWaalsContact O-CA 3.27Å; S668-D683 WeakPolarHBondContact O-CA 3.21Å; S668-D683 WeakPolarHBondContact O-CB 3.16Å; S668-S684 PolarHBondContact N-OG 3.04Å; S668-S684 PolarHBondContact O-N 3.47Å | ||
| 669 | V | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 123.5 | 180 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | V584 L637 N641 T665 G667 F681 G682 | V584-V669 WeakPolarHBondContact CG1-O 3.3Å; L637-V669 HydrophobicContact CD1-CB 4.31Å; L637-V669 HydrophobicContact CD1-CG1 4.39Å; L637-V669 HydrophobicContact CD2-CB 3.7Å; L637-V669 HydrophobicContact CD2-CG1 3.34Å; L637-V669 HydrophobicContact CG-CG1 4.48Å; N641-V669 HydrophobicContact CB-CG2 4.3Å; N641-V669 PolarHBondContact OD1-N 2.96Å; T665-V669 HydrophobicContact CG2-CG2 3.39Å; G667-V669 PolarHBondContact O-N 2.87Å; V669-F681 HydrophobicContact CG1-CB 3.71Å; V669-F681 HydrophobicContact CG1-CD2 4.16Å; V669-F681 HydrophobicContact CG1-CG 4.32Å; V669-F681 HydrophobicContact CG2-CD2 3.87Å; V669-F681 HydrophobicContact CG2-CE2 4.43Å; V669-G682 CarbonylContact C-O 3.58Å; V669-G682 WeakPolarHBondContact CA-O 3.31Å; V669-G682 WeakPolarHBondContact CG1-O 3.19Å |
| 670 | T | 93.2 | Very high | 86.6 | Confident | 41 Ų | 41 | 39.5 Ų | 39.5 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -22.9 | -173 | 46.4 | 0 | 0 | 0 | 0 | 113.2 | S668 G682 V708 | S668-T670 PolarHBondContact O-N 3.45Å; T670-G682 PolarHBondContact N-O 2.77Å; T670-G682 PolarHBondContact OG1-O 2.81Å; T670-V708 VanDerWaalsContact CB-O 3.24Å; T670-V708 WeakPolarHBondContact CB-O 3.49Å; T670-V708 PolarHBondContact OG1-O 2.84Å |
| 671 | S | 93.7 | Very high | 87.1 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 151.9 | 174.4 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | D585 F681 G682 R710 L711 | D585-S671 VanDerWaalsContact OD2-CA 3.27Å; D585-S671 WeakPolarHBondContact OD2-CA 3.39Å; D585-S671 PolarHBondContact OD2-OG 3.25Å; S671-F681 CarbonylContact O-C 3.43Å; S671-F681 VanDerWaalsContact O-CA 3.25Å; S671-F681 WeakPolarHBondContact O-CA 3.35Å; S671-G682 PolarHBondContact N-O 2.96Å; S671-G682 PolarHBondContact O-N 2.9Å; S671-R710 WeakPolarHBondContact OG-CA 3.48Å; S671-L711 PolarHBondContact OG-N 3.22Å |
| 672 | M | 94.2 | Very high | 87.8 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 139.3 | -177.2 | -178.7 | 177 | 65 | 0 | 0 | 110.7 | D585 L637 L643 W663 L679 V680 F681 | D585-M672 HydrophobicContact CB-CB 4.28Å; D585-M672 PolarHBondContact OD2-N 2.99Å; L637-M672 HydrophobicContact CB-CE 3.98Å; L637-M672 HydrophobicContact CB-SD 4.45Å; L643-M672 HydrophobicContact CD1-CE 3.97Å; L643-M672 HydrophobicContact CD1-SD 3.67Å; W663-M672 HydrophobicContact CH2-SD 4.19Å; M672-L679 HydrophobicContact CG-CD2 3.78Å; M672-L679 HydrophobicContact SD-CD2 3.69Å; M672-V680 CarbonylContact C-O 3.58Å; M672-V680 WeakPolarHBondContact CA-O 3.48Å; M672-F681 HydrophobicContact CB-CB 4.45Å |
| 673 | A | 93.7 | Very high | 88.7 | Confident | 9 Ų | 9 | 21.3 Ų | 21.3 | 7% | 0.074 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V680 L711 F713 | A673-V680 HydrophobicContact CB-CG1 3.84Å; A673-V680 PolarHBondContact N-O 2.82Å; A673-V680 PolarHBondContact O-N 2.71Å; A673-L711 HydrophobicContact CB-CB 4.21Å; A673-F713 HydrophobicContact CB-CD2 3.77Å; A673-F713 HydrophobicContact CB-CE2 3.87Å |
| 674 | W | 92.3 | Very high | 89.4 | Confident | 20 Ų | 20 | 22.6 Ų | 22.6 | 8% | 0.076 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.5 | -178.4 | -169.4 | 8.3 | 0 | 0 | 0 | 111.1 | S587 W588 S589 H592 V635 Q676 L679 L693 | S587-W674 VanDerWaalsContact OG-CB 3.26Å; S587-W674 WeakPolarHBondContact OG-CB 3.46Å; S587-W674 PolarHBondContact OG-N 3.17Å; W588-W674 VanDerWaalsContact C-CE3 3.47Å; S589-W674 VanDerWaalsContact N-CE3 3.34Å; S589-W674 VanDerWaalsContact OG-CH2 3.27Å; S589-W674 WeakPolarHBondContact OG-CH2 3.47Å; S589-W674 VanDerWaalsContact OG-CZ2 3.32Å; S589-W674 WeakPolarHBondContact OG-CZ2 3.4Å; H592-W674 AromaticContact CD2-CZ2 3.67Å; V635-W674 HydrophobicContact CG2-CD2 4.16Å; V635-W674 HydrophobicContact CG2-CE3 3.22Å; V635-W674 HydrophobicContact CG2-CH2 3.84Å; V635-W674 HydrophobicContact CG2-CZ3 3.03Å; W674-Q676 PolarHBondContact NE1-O 2.95Å; W674-L679 HydrophobicContact CB-CD2 3.76Å; W674-L679 HydrophobicContact CB-CG 4.42Å; W674-L679 HydrophobicContact CD2-CD2 4.45Å; W674-L679 HydrophobicContact CG-CD2 3.89Å; W674-L679 HydrophobicContact CG-CG 4.09Å; W674-L693 HydrophobicContact CZ2-CD1 3.74Å |
| 675 | K | 90.6 | Very high | 90.4 | Very high | 13 Ų | 13 | 22.7 Ų | 22.7 | 6% | 0.057 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 126.3 | 170 | -173.4 | 165.7 | -172.4 | 165.1 | 0 | 110.5 | D677 I678 F713 C714 F716 P717 D719 F720 | K675-D677 PolarHBondContact O-N 3.43Å; K675-I678 PolarHBondContact N-O 2.67Å; K675-I678 PolarHBondContact O-N 3.17Å; K675-I678 VanDerWaalsContact O-O 3.12Å; K675-F713 HydrophobicContact CB-CD1 4.02Å; K675-F713 HydrophobicContact CB-CD2 3.56Å; K675-F713 HydrophobicContact CB-CE1 4.03Å; K675-F713 HydrophobicContact CB-CE2 3.57Å; K675-F713 HydrophobicContact CB-CG 3.77Å; K675-F713 HydrophobicContact CB-CZ 3.81Å; K675-F713 HydrophobicContact CD-CB 3.88Å; K675-F713 HydrophobicContact CD-CD1 3.76Å; K675-F713 HydrophobicContact CD-CD2 4.41Å; K675-F713 HydrophobicContact CD-CE1 4.37Å; K675-F713 HydrophobicContact CD-CG 3.78Å; K675-F713 HydrophobicContact CG-CG 4.44Å; K675-C714 PolarHBondContact NZ-O 3.22Å; K675-F716 PolarHBondContact NZ-O 3.2Å; K675-P717 WeakPolarHBondContact CE-O 3.4Å; K675-D719 PolarHBondContact NZ-O 2.77Å; K675-F720 HydrophobicContact CB-CE1 4.5Å; K675-F720 HydrophobicContact CD-CD1 4.35Å; K675-F720 HydrophobicContact CD-CE1 4.48Å; K675-F720 HydrophobicContact CG-CD1 4.43Å; K675-F720 HydrophobicContact CG-CE1 4.13Å |
| 676 | Q | 89.4 | Confident | 91.3 | Very high | 54 Ų | 54 | 20.4 Ų | 20.4 | 25% | 0.252 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | -118.3 | -175.7 | -57.7 | -172.7 | 9.1 | 0 | 0 | 111.6 | T590 K591 W674 F720 | T590-Q676 PolarHBondContact OG1-N 3.44Å; K591-Q676 HydrophobicContact CB-CB 4.45Å; K591-Q676 HydrophobicContact CD-CB 4.37Å; W674-Q676 PolarHBondContact NE1-O 2.95Å; Q676-F720 HydrophobicContact CB-CE1 4.35Å; Q676-F720 HydrophobicContact CB-CZ 4.17Å; Q676-F720 VanDerWaalsContact CD-CZ 3.49Å; Q676-F720 HydrophobicContact CG-CE1 4.48Å; Q676-F720 HydrophobicContact CG-CZ 4.04Å |
| 677 | D | 90.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 23.2 Ų | 23.2 | 8% | 0.075 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 9.3 | 177.3 | -51.6 | -71.1 | 0 | 0 | 0 | 113.2 | K591 H592 K675 L693 E694 | K591-D677 VanDerWaalsContact CD-OD2 3.25Å; K591-D677 WeakPolarHBondContact CD-OD2 3.46Å; K591-D677 WeakPolarHBondContact CE-OD2 3.45Å; K591-D677 IonicContact NZ-OD1 3.58Å; K591-D677 IonicContact NZ-OD2 2.56Å; K591-D677 PolarHBondContact NZ-OD2 3.4Å; H592-D677 IonicContact CE1-OD1 2.69Å; H592-D677 PolarHBondContact CE1-OD1 2.88Å; H592-D677 IonicContact NE2-OD1 3.02Å; H592-D677 PolarHBondContact NE2-OD1 2.64Å; K675-D677 PolarHBondContact O-N 3.43Å; D677-L693 HydrophobicContact CB-CB 4.23Å; D677-L693 VanDerWaalsContact O-CB 3.28Å; D677-L693 WeakPolarHBondContact O-CB 3.5Å; D677-L693 VanDerWaalsContact O-CG 3.31Å; D677-L693 WeakPolarHBondContact O-CG 3.29Å; D677-L693 PolarHBondContact O-N 2.89Å; D677-E694 HydrophobicContact CB-CG 3.93Å |
| 678 | I | 91.7 | Very high | 92.7 | Very high | 20 Ų | 20 | 22.5 Ų | 22.5 | 10% | 0.103 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.4 | -176.7 | -54.9 | -179.6 | 0 | 0 | 0 | 110.1 | K675 F720 V735 Q736 | K675-I678 PolarHBondContact N-O 2.67Å; K675-I678 PolarHBondContact O-N 3.17Å; K675-I678 VanDerWaalsContact O-O 3.12Å; I678-F720 HydrophobicContact CD1-CD1 4.04Å; I678-F720 HydrophobicContact CD1-CE1 3.88Å; I678-F720 HydrophobicContact CG1-CE1 4.35Å; I678-V735 HydrophobicContact CG2-CG1 3.68Å; I678-Q736 HydrophobicContact CD1-CB 4.29Å; I678-Q736 HydrophobicContact CD1-CG 4.17Å |
| 679 | L | 92.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.8 | 167.1 | -86.3 | 156.5 | 0 | 0 | 0 | 109.2 | L643 W663 M672 W674 S690 W691 L693 | L643-L679 HydrophobicContact CD2-CD1 4.18Å; W663-L679 HydrophobicContact CZ3-CB 4.41Å; M672-L679 HydrophobicContact CG-CD2 3.78Å; M672-L679 HydrophobicContact SD-CD2 3.69Å; W674-L679 HydrophobicContact CB-CD2 3.76Å; W674-L679 HydrophobicContact CB-CG 4.42Å; W674-L679 HydrophobicContact CD2-CD2 4.45Å; W674-L679 HydrophobicContact CG-CD2 3.89Å; W674-L679 HydrophobicContact CG-CG 4.09Å; L679-S690 CarbonylContact O-C 3.52Å; L679-S690 WeakPolarHBondContact O-CA 3.26Å; L679-W691 HydrophobicContact CB-CB 4.49Å; L679-W691 HydrophobicContact CB-CE3 4.38Å; L679-W691 HydrophobicContact CD1-CE3 3.7Å; L679-W691 HydrophobicContact CD1-CZ3 3.86Å; L679-W691 PolarHBondContact N-O 3.1Å; L679-W691 PolarHBondContact O-N 3.43Å; L679-L693 HydrophobicContact CD1-CD1 4.24Å; L679-L693 HydrophobicContact CD1-CD2 4.01Å; L679-L693 HydrophobicContact CD1-CG 4.34Å |
| 680 | V | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.5 | 170.1 | 69 | 0 | 0 | 0 | 0 | 109.1 | M672 A673 V688 S689 L711 F713 V735 | M672-V680 CarbonylContact C-O 3.58Å; M672-V680 WeakPolarHBondContact CA-O 3.48Å; A673-V680 HydrophobicContact CB-CG1 3.84Å; A673-V680 PolarHBondContact N-O 2.82Å; A673-V680 PolarHBondContact O-N 2.71Å; V680-V688 HydrophobicContact CG2-CG1 3.83Å; V680-S689 CarbonylContact C-O 3.53Å; V680-S689 WeakPolarHBondContact CA-O 3.4Å; V680-S689 WeakPolarHBondContact CG2-O 3.39Å; V680-L711 HydrophobicContact CG2-CD1 4.48Å; V680-F713 HydrophobicContact CB-CE2 4.47Å; V680-F713 HydrophobicContact CB-CZ 4.1Å; V680-F713 HydrophobicContact CG1-CD2 4.43Å; V680-F713 HydrophobicContact CG1-CE1 4.45Å; V680-F713 HydrophobicContact CG1-CE2 3.57Å; V680-F713 HydrophobicContact CG1-CZ 3.58Å; V680-V735 HydrophobicContact CB-CG1 3.79Å; V680-V735 HydrophobicContact CB-CG2 4.45Å; V680-V735 HydrophobicContact CG2-CG1 3.95Å; V680-V735 HydrophobicContact CG2-CG2 4.22Å |
| 681 | F | 94.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.009 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 149.7 | -179 | 57.5 | -85.8 | 0 | 0 | 0 | 111.5 | W663 T665 V669 S671 M672 S689 W691 L711 | W663-F681 HydrophobicContact CB-CE1 4.39Å; W663-F681 HydrophobicContact CB-CZ 3.97Å; W663-F681 AromaticContact CD2-CE1 3.95Å; W663-F681 HydrophobicContact CD2-CE1 3.95Å; W663-F681 AromaticContact CD2-CZ 3.99Å; W663-F681 HydrophobicContact CD2-CZ 3.99Å; W663-F681 AromaticContact CE3-CD1 3.67Å; W663-F681 HydrophobicContact CE3-CD1 3.67Å; W663-F681 AromaticContact CE3-CE1 3.23Å; W663-F681 HydrophobicContact CE3-CE1 3.23Å; W663-F681 AromaticContact CE3-CZ 3.77Å; W663-F681 HydrophobicContact CE3-CZ 3.77Å; W663-F681 HydrophobicContact CG-CE1 4.48Å; W663-F681 HydrophobicContact CG-CZ 4.14Å; W663-F681 HydrophobicContact CH2-CD1 4.4Å; W663-F681 AromaticContact CZ3-CD1 3.58Å; W663-F681 HydrophobicContact CZ3-CD1 3.58Å; W663-F681 AromaticContact CZ3-CE1 3.69Å; W663-F681 HydrophobicContact CZ3-CE1 3.69Å; W663-F681 HydrophobicContact CZ3-CG 4.31Å; W663-F681 HydrophobicContact CZ3-CZ 4.46Å; T665-F681 HydrophobicContact CG2-CD2 4.26Å; T665-F681 HydrophobicContact CG2-CE2 3.66Å; T665-F681 HydrophobicContact CG2-CZ 4.46Å; V669-F681 HydrophobicContact CG1-CB 3.71Å; V669-F681 HydrophobicContact CG1-CD2 4.16Å; V669-F681 HydrophobicContact CG1-CG 4.32Å; V669-F681 HydrophobicContact CG2-CD2 3.87Å; V669-F681 HydrophobicContact CG2-CE2 4.43Å; S671-F681 CarbonylContact O-C 3.43Å; S671-F681 VanDerWaalsContact O-CA 3.25Å; S671-F681 WeakPolarHBondContact O-CA 3.35Å; M672-F681 HydrophobicContact CB-CB 4.45Å; F681-S689 PolarHBondContact N-O 3.38Å; F681-S689 PolarHBondContact O-N 2.87Å; F681-W691 HydrophobicContact CE1-CB 3.95Å; F681-L711 VanDerWaalsContact C-CD1 3.41Å |
| 682 | G | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | V669 T670 S671 R687 | V669-G682 CarbonylContact C-O 3.58Å; V669-G682 WeakPolarHBondContact CA-O 3.31Å; V669-G682 WeakPolarHBondContact CG1-O 3.19Å; T670-G682 PolarHBondContact N-O 2.77Å; T670-G682 PolarHBondContact OG1-O 2.81Å; S671-G682 PolarHBondContact N-O 2.96Å; S671-G682 PolarHBondContact O-N 2.9Å; G682-R687 VanDerWaalsContact CA-O 3.25Å; G682-R687 WeakPolarHBondContact CA-O 3.42Å |
| 683 | D | 93.7 | Very high | 92.2 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 172.4 | -178.5 | 70.2 | 16.9 | 0 | 0 | 0 | 114.3 | G666 G667 S668 D685 G686 R687 V708 | G666-D683 WeakPolarHBondContact CA-OD2 3.41Å; G666-D683 PolarHBondContact N-OD2 3.46Å; G667-D683 PolarHBondContact N-OD2 2.97Å; S668-D683 CarbonylContact O-C 3.6Å; S668-D683 VanDerWaalsContact O-CA 3.27Å; S668-D683 WeakPolarHBondContact O-CA 3.21Å; S668-D683 WeakPolarHBondContact O-CB 3.16Å; D683-D685 PolarHBondContact O-N 3.2Å; D683-D685 PolarHBondContact OD1-N 3.49Å; D683-D685 VanDerWaalsContact OD1-N 3.09Å; D683-G686 PolarHBondContact O-N 3.48Å; D683-G686 VanDerWaalsContact O-N 3.14Å; D683-G686 PolarHBondContact OD1-N 3.01Å; D683-R687 PolarHBondContact N-O 3.35Å; D683-R687 PolarHBondContact OD1-N 3.38Å; D683-R687 WeakPolarHBondContact OD2-CB 3.26Å; D683-V708 PolarHBondContact O-N 3.33Å |
| 684 | S | 94.1 | Very high | 91.9 | Very high | 47 Ų | 47 | 29.3 Ų | 29.3 | 33% | 0.329 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.9 | 176.2 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | S668 S707 | S668-S684 PolarHBondContact N-OG 3.04Å; S668-S684 PolarHBondContact O-N 3.47Å; S684-S707 VanDerWaalsContact O-CA 3.28Å; S684-S707 WeakPolarHBondContact O-CA 3.43Å; S684-S707 WeakPolarHBondContact O-CB 3.31Å |
| 685 | D | 91.4 | Very high | 91.6 | Very high | 93 Ų | 93 | 31.4 Ų | 31.4 | 50% | 0.497 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -5.9 | -177 | -58.8 | -14.1 | 0 | 0 | 0 | 111.8 | D683 L702 | D683-D685 PolarHBondContact O-N 3.2Å; D683-D685 PolarHBondContact OD1-N 3.49Å; D683-D685 VanDerWaalsContact OD1-N 3.09Å; D685-L702 WeakPolarHBondContact O-CD1 3.35Å |
| 686 | G | 91.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | 84.2 | 24.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D683 T703 G706 | D683-G686 PolarHBondContact O-N 3.48Å; D683-G686 VanDerWaalsContact O-N 3.14Å; D683-G686 PolarHBondContact OD1-N 3.01Å; G686-T703 WeakPolarHBondContact O-CB 3.43Å; G686-T703 WeakPolarHBondContact O-CG2 3.44Å; G686-T703 PolarHBondContact O-N 3.39Å; G686-T703 PolarHBondContact O-OG1 3.34Å; G686-G706 WeakPolarHBondContact CA-O 3.41Å | ||
| 687 | R | 93.5 | Very high | 91.1 | Very high | 95 Ų | 95 | 37.8 Ų | 37.8 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 142.2 | 163.1 | -75.9 | 176.8 | 179.5 | 170.5 | 3.6 | 110.4 | G682 D683 T701 L702 | G682-R687 VanDerWaalsContact CA-O 3.25Å; G682-R687 WeakPolarHBondContact CA-O 3.42Å; D683-R687 PolarHBondContact N-O 3.35Å; D683-R687 PolarHBondContact OD1-N 3.38Å; D683-R687 WeakPolarHBondContact OD2-CB 3.26Å; R687-T701 CarbonylContact C-O 3.5Å; R687-T701 VanDerWaalsContact CA-O 3.3Å; R687-T701 WeakPolarHBondContact CA-O 3.3Å; R687-L702 HydrophobicContact CG-CB 3.88Å; R687-L702 HydrophobicContact CG-CD1 3.67Å; R687-L702 HydrophobicContact CG-CG 4.39Å |
| 688 | V | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.5 | 166.5 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | V680 T701 T703 V708 A724 W733 L738 | V680-V688 HydrophobicContact CG2-CG1 3.83Å; V688-T701 PolarHBondContact N-O 3.37Å; V688-T701 PolarHBondContact O-N 2.92Å; V688-T703 HydrophobicContact CG2-CG2 3.85Å; V688-V708 HydrophobicContact CG2-CG2 4.28Å; V688-A724 HydrophobicContact CG2-CB 4.25Å; V688-W733 HydrophobicContact CB-CD2 4.36Å; V688-W733 HydrophobicContact CB-CH2 4.2Å; V688-W733 HydrophobicContact CB-CZ2 3.97Å; V688-W733 HydrophobicContact CG1-CD2 4.07Å; V688-W733 HydrophobicContact CG1-CE3 4.38Å; V688-W733 HydrophobicContact CG1-CG 4.44Å; V688-W733 HydrophobicContact CG2-CZ2 3.98Å; V688-L738 HydrophobicContact CG1-CD1 4.38Å |
| 689 | S | 93.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.2 | -176.1 | -53 | 0 | 0 | 0 | 0 | 110.4 | V680 F681 K699 S700 | V680-S689 CarbonylContact C-O 3.53Å; V680-S689 WeakPolarHBondContact CA-O 3.4Å; V680-S689 WeakPolarHBondContact CG2-O 3.39Å; F681-S689 PolarHBondContact N-O 3.38Å; F681-S689 PolarHBondContact O-N 2.87Å; S689-K699 CarbonylContact C-O 3.44Å; S689-K699 WeakPolarHBondContact CA-O 3.45Å; S689-K699 VanDerWaalsContact CB-O 3.29Å; S689-K699 WeakPolarHBondContact CB-O 3.36Å; S689-S700 WeakPolarHBondContact OG-CB 3.4Å |
| 690 | S | 93 | Very high | 90.8 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.8 | 170.8 | 61 | 0 | 0 | 0 | 0 | 110.5 | L679 S698 K699 | L679-S690 CarbonylContact O-C 3.52Å; L679-S690 WeakPolarHBondContact O-CA 3.26Å; S690-S698 CarbonylContact O-C 3.53Å; S690-S698 VanDerWaalsContact O-CA 3.22Å; S690-S698 WeakPolarHBondContact O-CA 3.35Å; S690-K699 PolarHBondContact N-O 2.79Å; S690-K699 PolarHBondContact O-N 3.29Å |
| 691 | W | 91.4 | Very high | 90.7 | Very high | 18 Ų | 18 | 48 Ų | 48 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 115.5 | 173.8 | -178.7 | 45.8 | 0 | 0 | 0 | 108.7 | L643 T661 W663 L679 F681 L693 S697 | L643-W691 HydrophobicContact CD2-CZ3 3.77Å; T661-W691 HydrophobicContact CG2-CH2 3.92Å; T661-W691 HydrophobicContact CG2-CZ3 3.96Å; W663-W691 HydrophobicContact CB-CG 4.33Å; W663-W691 HydrophobicContact CD2-CD2 4.49Å; W663-W691 HydrophobicContact CD2-CE3 4.26Å; W663-W691 HydrophobicContact CE3-CB 3.83Å; W663-W691 AromaticContact CE3-CD2 3.8Å; W663-W691 HydrophobicContact CE3-CD2 3.8Å; W663-W691 AromaticContact CE3-CE3 3.43Å; W663-W691 HydrophobicContact CE3-CE3 3.43Å; W663-W691 VanDerWaalsContact CE3-CE3 3.43Å; W663-W691 AromaticContact CE3-CG 4Å; W663-W691 HydrophobicContact CE3-CG 4Å; W663-W691 HydrophobicContact CE3-CZ3 4.24Å; W663-W691 HydrophobicContact CZ3-CD2 4.46Å; W663-W691 AromaticContact CZ3-CE3 3.68Å; W663-W691 HydrophobicContact CZ3-CE3 3.68Å; W663-W691 HydrophobicContact CZ3-CZ3 4.32Å; L679-W691 HydrophobicContact CB-CB 4.49Å; L679-W691 HydrophobicContact CB-CE3 4.38Å; L679-W691 HydrophobicContact CD1-CE3 3.7Å; L679-W691 HydrophobicContact CD1-CZ3 3.86Å; L679-W691 PolarHBondContact N-O 3.1Å; L679-W691 PolarHBondContact O-N 3.43Å; F681-W691 HydrophobicContact CE1-CB 3.95Å; W691-L693 HydrophobicContact CD2-CD2 4.21Å; W691-L693 HydrophobicContact CE3-CD2 3.73Å; W691-L693 HydrophobicContact CH2-CD2 3.6Å; W691-L693 HydrophobicContact CZ2-CD2 4.08Å; W691-L693 HydrophobicContact CZ3-CD2 3.4Å; W691-S697 WeakPolarHBondContact CA-O 3.35Å |
| 692 | D | 89.4 | Confident | 90.6 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 120.8 | 175.7 | 171.4 | 3.6 | 0 | 0 | 0 | 108.8 | E694 S695 K696 S697 | D692-E694 PolarHBondContact OD1-N 3.49Å; D692-S695 WeakPolarHBondContact CB-OG 3.38Å; D692-S695 PolarHBondContact OD1-N 3.39Å; D692-S695 VanDerWaalsContact OD2-CB 3.26Å; D692-S695 WeakPolarHBondContact OD2-CB 3.11Å; D692-S695 PolarHBondContact OD2-OG 3Å; D692-K696 WeakPolarHBondContact O-CA 3.41Å; D692-K696 PolarHBondContact O-N 3.02Å; D692-S697 PolarHBondContact N-O 2.98Å; D692-S697 PolarHBondContact O-N 3.47Å |
| 693 | L | 87.8 | Confident | 90.2 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -28.5 | -177.3 | -66 | 171.7 | 0 | 0 | 0 | 112.6 | W674 D677 L679 W691 | W674-L693 HydrophobicContact CZ2-CD1 3.74Å; D677-L693 HydrophobicContact CB-CB 4.23Å; D677-L693 VanDerWaalsContact O-CB 3.28Å; D677-L693 WeakPolarHBondContact O-CB 3.5Å; D677-L693 VanDerWaalsContact O-CG 3.31Å; D677-L693 WeakPolarHBondContact O-CG 3.29Å; D677-L693 PolarHBondContact O-N 2.89Å; L679-L693 HydrophobicContact CD1-CD1 4.24Å; L679-L693 HydrophobicContact CD1-CD2 4.01Å; L679-L693 HydrophobicContact CD1-CG 4.34Å; W691-L693 HydrophobicContact CD2-CD2 4.21Å; W691-L693 HydrophobicContact CE3-CD2 3.73Å; W691-L693 HydrophobicContact CH2-CD2 3.6Å; W691-L693 HydrophobicContact CZ2-CD2 4.08Å; W691-L693 HydrophobicContact CZ3-CD2 3.4Å |
| 694 | E | 86.5 | Confident | 89.9 | Confident | 133 Ų | 133 | 61.3 Ų | 61.3 | 62% | 0.621 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -52.2 | 178.1 | -73 | -171.4 | 173 | 0 | 0 | 110.3 | K591 D677 D692 K696 | K591-E694 IonicContact NZ-OE1 2.97Å; K591-E694 PolarHBondContact NZ-OE1 3.31Å; D677-E694 HydrophobicContact CB-CG 3.93Å; D692-E694 PolarHBondContact OD1-N 3.49Å; E694-K696 VanDerWaalsContact C-N 3.34Å |
| 695 | S | 85.5 | Confident | 89.7 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.8 | 179.8 | 68.2 | 0 | 0 | 0 | 0 | 114 | D692 S697 | D692-S695 WeakPolarHBondContact CB-OG 3.38Å; D692-S695 PolarHBondContact OD1-N 3.39Å; D692-S695 VanDerWaalsContact OD2-CB 3.26Å; D692-S695 WeakPolarHBondContact OD2-CB 3.11Å; D692-S695 PolarHBondContact OD2-OG 3Å; S695-S697 PolarHBondContact O-N 3.32Å; S695-S697 VanDerWaalsContact O-N 3.14Å; S695-S697 WeakPolarHBondContact OG-CB 3.31Å; S695-S697 PolarHBondContact OG-N 3.32Å; S695-S697 PolarHBondContact OG-OG 3.45Å |
| 696 | K | 84.5 | Confident | 89.6 | Confident | 147 Ų | 147 | 56 Ų | 56 | 64% | 0.639 | 29% | 0.29 | S | S | * | . | trans | 54.3 | 22.9 | -170.4 | -59.2 | -179.3 | -179.3 | 176.2 | 0 | 113.3 | D692 E694 | D692-K696 WeakPolarHBondContact O-CA 3.41Å; D692-K696 PolarHBondContact O-N 3.02Å; E694-K696 VanDerWaalsContact C-N 3.34Å | ||
| 697 | S | 86.3 | Confident | 89.8 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | trans | -94.4 | 142.1 | 179.7 | 71.7 | 0 | 0 | 0 | 0 | 110.8 | W691 D692 S695 | W691-S697 WeakPolarHBondContact CA-O 3.35Å; D692-S697 PolarHBondContact N-O 2.98Å; D692-S697 PolarHBondContact O-N 3.47Å; S695-S697 PolarHBondContact O-N 3.32Å; S695-S697 VanDerWaalsContact O-N 3.14Å; S695-S697 WeakPolarHBondContact OG-CB 3.31Å; S695-S697 PolarHBondContact OG-N 3.32Å; S695-S697 PolarHBondContact OG-OG 3.45Å | ||
| 698 | S | 87.7 | Confident | 89.8 | Confident | 40 Ų | 40 | 52.9 Ų | 52.9 | 28% | 0.28 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.5 | 174.5 | 66.5 | 0 | 0 | 0 | 0 | 111 | S690 | S690-S698 CarbonylContact O-C 3.53Å; S690-S698 VanDerWaalsContact O-CA 3.22Å; S690-S698 WeakPolarHBondContact O-CA 3.35Å |
| 699 | K | 90 | Very high | 89.7 | Confident | 103 Ų | 103 | 57.5 Ų | 57.5 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.3 | 172.1 | -61.9 | 174.9 | -174.3 | 171.9 | 0 | 108.4 | S689 S690 L738 | S689-K699 CarbonylContact C-O 3.44Å; S689-K699 WeakPolarHBondContact CA-O 3.45Å; S689-K699 VanDerWaalsContact CB-O 3.29Å; S689-K699 WeakPolarHBondContact CB-O 3.36Å; S690-K699 PolarHBondContact N-O 2.79Å; S690-K699 PolarHBondContact O-N 3.29Å; K699-L738 HydrophobicContact CB-CB 4.21Å; K699-L738 HydrophobicContact CB-CD2 3.4Å; K699-L738 HydrophobicContact CB-CG 4.43Å; K699-L738 HydrophobicContact CD-CB 4.29Å; K699-L738 VanDerWaalsContact O-CD2 3.28Å; K699-L738 WeakPolarHBondContact O-CD2 3.15Å |
| 700 | S | 90.6 | Very high | 89.7 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 145.8 | 177.1 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | S689 | S689-S700 WeakPolarHBondContact OG-CB 3.4Å |
| 701 | T | 92.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 34% | 0.344 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 132.6 | 179.5 | -55.9 | 0 | 0 | 0 | 0 | 110 | R687 V688 W733 | R687-T701 CarbonylContact C-O 3.5Å; R687-T701 VanDerWaalsContact CA-O 3.3Å; R687-T701 WeakPolarHBondContact CA-O 3.3Å; V688-T701 PolarHBondContact N-O 3.37Å; V688-T701 PolarHBondContact O-N 2.92Å; T701-W733 HydrophobicContact CG2-CH2 3.69Å; T701-W733 HydrophobicContact CG2-CZ3 4.06Å |
| 702 | L | 90.7 | Very high | 89.9 | Confident | 87 Ų | 87 | 61.8 Ų | 61.8 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 132.2 | 178 | -178.7 | 69.2 | 0 | 0 | 0 | 111.4 | D685 R687 | D685-L702 WeakPolarHBondContact O-CD1 3.35Å; R687-L702 HydrophobicContact CG-CB 3.88Å; R687-L702 HydrophobicContact CG-CD1 3.67Å; R687-L702 HydrophobicContact CG-CG 4.39Å |
| 703 | T | 86.3 | Confident | 90 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | trans | -98.7 | -17.5 | -172.6 | 74.8 | 0 | 0 | 0 | 0 | 115.2 | G686 V688 L705 H726 W733 R740 | G686-T703 WeakPolarHBondContact O-CB 3.43Å; G686-T703 WeakPolarHBondContact O-CG2 3.44Å; G686-T703 PolarHBondContact O-N 3.39Å; G686-T703 PolarHBondContact O-OG1 3.34Å; V688-T703 HydrophobicContact CG2-CG2 3.85Å; T703-L705 PolarHBondContact O-N 3.06Å; T703-L705 PolarHBondContact OG1-N 3.34Å; T703-H726 PolarHBondContact OG1-CE1 2.84Å; T703-H726 PolarHBondContact OG1-ND1 3.24Å; T703-W733 HydrophobicContact CG2-CH2 4.06Å; T703-W733 HydrophobicContact CG2-CZ2 3.4Å; T703-W733 VanDerWaalsContact CG2-CZ2 3.4Å; T703-R740 PolarHBondContact O-NH1 3.03Å | ||
| 704 | K | 87.6 | Confident | 90.1 | Very high | 193 Ų | 193 | 58.6 Ų | 58.6 | 84% | 0.839 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 59 | 15.1 | -171.6 | -55.3 | -177.2 | -179 | 178.9 | 0 | 115.1 | ||
| 705 | L | 89.2 | Confident | 89.9 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -97 | 10.6 | 179.6 | -63.3 | 164.5 | 0 | 0 | 0 | 113.2 | T703 H726 D728 H743 C745 | T703-L705 PolarHBondContact O-N 3.06Å; T703-L705 PolarHBondContact OG1-N 3.34Å; L705-H726 HydrophobicContact CB-CB 3.69Å; L705-H726 WeakPolarHBondContact O-CB 3.26Å; L705-D728 WeakPolarHBondContact O-CB 3.26Å; L705-D728 PolarHBondContact O-N 3.44Å; L705-D728 VanDerWaalsContact O-N 3.1Å; L705-H743 HydrophobicContact CD1-CB 4.09Å; L705-C745 VanDerWaalsContact CD2-SG 3.56Å |
| 706 | G | 90.7 | Very high | 89.7 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | trans | 76.7 | -173.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G686 V708 H726 | G686-G706 WeakPolarHBondContact CA-O 3.41Å; G706-V708 PolarHBondContact O-N 3.15Å; G706-H726 PolarHBondContact O-ND1 3.14Å; G706-H726 VanDerWaalsContact O-ND1 3.12Å | ||
| 707 | S | 93.9 | Very high | 89.4 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -50.8 | 135.9 | -175.3 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | S684 K709 H726 V727 | S684-S707 VanDerWaalsContact O-CA 3.28Å; S684-S707 WeakPolarHBondContact O-CA 3.43Å; S684-S707 WeakPolarHBondContact O-CB 3.31Å; S707-K709 PolarHBondContact O-N 3.5Å; S707-H726 CarbonylContact O-C 3.59Å; S707-H726 VanDerWaalsContact O-CA 3.27Å; S707-H726 WeakPolarHBondContact O-CA 3.48Å; S707-V727 PolarHBondContact O-N 3.48Å |
| 708 | V | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 118 | 175 | -171.6 | 0 | 0 | 0 | 0 | 109.5 | T670 D683 V688 G706 L711 A724 | T670-V708 VanDerWaalsContact CB-O 3.24Å; T670-V708 WeakPolarHBondContact CB-O 3.49Å; T670-V708 PolarHBondContact OG1-O 2.84Å; D683-V708 PolarHBondContact O-N 3.33Å; V688-V708 HydrophobicContact CG2-CG2 4.28Å; G706-V708 PolarHBondContact O-N 3.15Å; V708-L711 HydrophobicContact CG1-CD1 4.17Å; V708-L711 HydrophobicContact CG1-CD2 4.38Å; V708-L711 HydrophobicContact CG1-CG 3.87Å; V708-A724 HydrophobicContact CG1-CB 4.44Å |
| 709 | K | 92.9 | Very high | 89.1 | Confident | 97 Ų | 97 | 54.6 Ų | 54.6 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -38.9 | 179 | -68.3 | -178.5 | 179.6 | 164.6 | 0 | 113.1 | S707 L725 V727 | S707-K709 PolarHBondContact O-N 3.5Å; K709-L725 PolarHBondContact N-O 3.37Å; K709-V727 HydrophobicContact CD-CG2 4.5Å; K709-V727 VanDerWaalsContact CE-CG2 3.47Å; K709-V727 HydrophobicContact CG-CG2 4.36Å |
| 710 | R | 92.2 | Very high | 89.2 | Confident | 79 Ų | 79 | 50.7 Ų | 50.7 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 142.3 | -178.2 | -64.9 | -170.6 | -178.1 | 172.4 | -1.1 | 111.1 | S671 L725 D755 | S671-R710 WeakPolarHBondContact OG-CA 3.48Å; R710-L725 HydrophobicContact CB-CB 4.3Å; R710-L725 PolarHBondContact N-O 3.3Å; R710-L725 PolarHBondContact O-N 3.32Å; R710-D755 IonicContact CZ-OD1 3.41Å; R710-D755 IonicContact NH1-OD1 2.92Å; R710-D755 PolarHBondContact NH1-OD1 3.31Å; R710-D755 IonicContact NH1-OD2 3.19Å; R710-D755 PolarHBondContact NH1-OD2 2.92Å |
| 711 | L | 94.8 | Very high | 89.4 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.3 | 170.1 | -78.9 | 163 | 0 | 0 | 0 | 110.1 | S671 A673 V680 F681 V708 I723 A724 | S671-L711 PolarHBondContact OG-N 3.22Å; A673-L711 HydrophobicContact CB-CB 4.21Å; V680-L711 HydrophobicContact CG2-CD1 4.48Å; F681-L711 VanDerWaalsContact C-CD1 3.41Å; V708-L711 HydrophobicContact CG1-CD1 4.17Å; V708-L711 HydrophobicContact CG1-CD2 4.38Å; V708-L711 HydrophobicContact CG1-CG 3.87Å; L711-I723 WeakPolarHBondContact CA-O 3.24Å; L711-A724 HydrophobicContact CD2-CB 3.49Å; L711-A724 VanDerWaalsContact CD2-CB 3.49Å |
| 712 | R | 93.7 | Very high | 89.5 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 143.1 | 173.1 | -63.7 | -174.8 | -161.8 | 142.5 | 30.6 | 111.1 | L445 R446 A722 I723 D755 A756 D757 | L445-R712 PolarHBondContact O-NH1 3.26Å; R446-R712 VanDerWaalsContact CZ-CZ 3.42Å; R712-A722 CarbonylContact O-C 3.57Å; R712-A722 WeakPolarHBondContact O-CA 3.27Å; R712-A722 WeakPolarHBondContact O-CB 3.46Å; R712-I723 HydrophobicContact CB-CG2 4.05Å; R712-I723 PolarHBondContact N-O 3.04Å; R712-I723 PolarHBondContact O-N 3.25Å; R712-D755 IonicContact CZ-OD1 3.82Å; R712-D755 IonicContact NH1-OD1 3.57Å; R712-D755 IonicContact NH1-OD2 3.95Å; R712-D755 IonicContact NH2-OD1 2.63Å; R712-D755 PolarHBondContact NH2-OD1 2.97Å; R712-D755 IonicContact NH2-OD2 3.48Å; R712-D755 PolarHBondContact NH2-OD2 2.83Å; R712-A756 VanDerWaalsContact CZ-O 3.26Å; R712-A756 PolarHBondContact NH1-O 2.93Å; R712-A756 PolarHBondContact NH2-O 3.08Å; R712-D757 WeakPolarHBondContact CD-OD1 3.47Å; R712-D757 IonicContact CZ-OD2 3.17Å; R712-D757 VanDerWaalsContact NH1-CG 3.3Å; R712-D757 IonicContact NH1-OD2 3.8Å; R712-D757 PolarHBondContact NH1-OD2 2.74Å |
| 713 | F | 92.9 | Very high | 89.7 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 10% | 0.101 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 154.4 | 168.8 | -78 | -77.5 | 0 | 0 | 0 | 111 | A673 K675 V680 T715 F720 A722 V735 | A673-F713 HydrophobicContact CB-CD2 3.77Å; A673-F713 HydrophobicContact CB-CE2 3.87Å; K675-F713 HydrophobicContact CB-CD1 4.02Å; K675-F713 HydrophobicContact CB-CD2 3.56Å; K675-F713 HydrophobicContact CB-CE1 4.03Å; K675-F713 HydrophobicContact CB-CE2 3.57Å; K675-F713 HydrophobicContact CB-CG 3.77Å; K675-F713 HydrophobicContact CB-CZ 3.81Å; K675-F713 HydrophobicContact CD-CB 3.88Å; K675-F713 HydrophobicContact CD-CD1 3.76Å; K675-F713 HydrophobicContact CD-CD2 4.41Å; K675-F713 HydrophobicContact CD-CE1 4.37Å; K675-F713 HydrophobicContact CD-CG 3.78Å; K675-F713 HydrophobicContact CG-CG 4.44Å; V680-F713 HydrophobicContact CB-CE2 4.47Å; V680-F713 HydrophobicContact CB-CZ 4.1Å; V680-F713 HydrophobicContact CG1-CD2 4.43Å; V680-F713 HydrophobicContact CG1-CE1 4.45Å; V680-F713 HydrophobicContact CG1-CE2 3.57Å; V680-F713 HydrophobicContact CG1-CZ 3.58Å; F713-T715 PolarHBondContact O-N 3.25Å; F713-F720 HydrophobicContact CE1-CD1 4.47Å; F713-A722 HydrophobicContact CD1-CB 3.91Å; F713-A722 HydrophobicContact CE1-CB 4.13Å; F713-A722 HydrophobicContact CG-CB 4.45Å; F713-V735 HydrophobicContact CD1-CG2 4.45Å; F713-V735 HydrophobicContact CE1-CB 3.84Å; F713-V735 HydrophobicContact CE1-CG1 4.1Å; F713-V735 HydrophobicContact CE1-CG2 3.63Å; F713-V735 HydrophobicContact CZ-CB 4.32Å; F713-V735 HydrophobicContact CZ-CG1 4.06Å; F713-V735 HydrophobicContact CZ-CG2 4.19Å |
| 714 | C | 89.7 | Confident | 90.2 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.02 | 21% | 0.207 | C | C | . | . | trans | -53 | 135.4 | 161.9 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | K675 F716 D719 T721 L758 S759 | K675-C714 PolarHBondContact NZ-O 3.22Å; C714-F716 PolarHBondContact O-N 2.85Å; C714-D719 HydrophobicContact CB-CB 4.25Å; C714-T721 PolarHBondContact N-O 2.89Å; C714-L758 HydrophobicContact CB-CB 4.41Å; C714-L758 HydrophobicContact CB-CD1 4.13Å; C714-S759 PolarHBondContact SG-O 3.13Å; C714-S759 VanDerWaalsContact SG-O 3.4Å | ||
| 715 | T | 81.8 | Confident | 90.5 | Very high | 33 Ų | 33 | 33.3 Ų | 33.3 | 20% | 0.202 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -70.2 | -18.7 | -178.1 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | M447 P449 F713 | M447-T715 HydrophobicContact CB-CG2 4.46Å; P449-T715 HydrophobicContact CB-CG2 4.5Å; F713-T715 PolarHBondContact O-N 3.25Å |
| 716 | F | 81.5 | Confident | 90.7 | Very high | 65 Ų | 65 | 33 Ų | 33 | 29% | 0.285 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -71.9 | 125.4 | 178.5 | -161.4 | -102.9 | 0 | 0 | 0 | 111.1 | K675 C714 E718 D719 | K675-F716 PolarHBondContact NZ-O 3.2Å; C714-F716 PolarHBondContact O-N 2.85Å; F716-E718 VanDerWaalsContact C-N 3.33Å; F716-E718 HydrophobicContact CD1-CB 4.45Å; F716-E718 HydrophobicContact CE1-CB 4.38Å; F716-E718 PolarHBondContact O-N 2.92Å; F716-E718 VanDerWaalsContact O-N 3.14Å; F716-D719 HydrophobicContact CB-CB 4.41Å; F716-D719 PolarHBondContact O-N 2.86Å |
| 717 | P | 78 | Confident | 90.8 | Very high | 70 Ų | 70 | 34.7 Ų | 34.7 | 46% | 0.455 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -38.5 | -166.4 | -29.9 | 35.3 | 0 | 0 | 0 | 116.1 | K675 | K675-P717 WeakPolarHBondContact CE-O 3.4Š|
| 718 | E | 80.6 | Confident | 90.5 | Very high | 140 Ų | 140 | 37.6 Ų | 37.6 | 65% | 0.654 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -9.2 | -174.1 | -61.2 | -57.8 | 145.2 | 0 | 0 | 114.2 | F716 | F716-E718 VanDerWaalsContact C-N 3.33Å; F716-E718 HydrophobicContact CD1-CB 4.45Å; F716-E718 HydrophobicContact CE1-CB 4.38Å; F716-E718 PolarHBondContact O-N 2.92Å; F716-E718 VanDerWaalsContact O-N 3.14Å |
| 719 | D | 87.5 | Confident | 90.3 | Very high | 46 Ų | 46 | 37.6 Ų | 37.6 | 25% | 0.246 | 19% | 0.186 | C | C | . | . | trans | -99.4 | 111.4 | -173.5 | -167.5 | -24.9 | 0 | 0 | 0 | 112.3 | K675 C714 F716 T721 A762 | K675-D719 PolarHBondContact NZ-O 2.77Å; C714-D719 HydrophobicContact CB-CB 4.25Å; F716-D719 HydrophobicContact CB-CB 4.41Å; F716-D719 PolarHBondContact O-N 2.86Å; D719-T721 PolarHBondContact O-N 2.81Å; D719-T721 WeakPolarHBondContact OD1-CB 3.19Å; D719-T721 PolarHBondContact OD1-N 3.37Å; D719-T721 PolarHBondContact OD1-OG1 2.87Å; D719-A762 WeakPolarHBondContact OD2-CB 3.5Å | ||
| 720 | F | 91.5 | Very high | 90.4 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 9% | 0.088 | 17% | 0.167 | C | C | . | . | trans | -83.8 | 16.3 | 178.9 | -74.5 | -91.5 | 0 | 0 | 0 | 114.6 | K675 Q676 I678 F713 V735 Q736 | K675-F720 HydrophobicContact CB-CE1 4.5Å; K675-F720 HydrophobicContact CD-CD1 4.35Å; K675-F720 HydrophobicContact CD-CE1 4.48Å; K675-F720 HydrophobicContact CG-CD1 4.43Å; K675-F720 HydrophobicContact CG-CE1 4.13Å; Q676-F720 HydrophobicContact CB-CE1 4.35Å; Q676-F720 HydrophobicContact CB-CZ 4.17Å; Q676-F720 VanDerWaalsContact CD-CZ 3.49Å; Q676-F720 HydrophobicContact CG-CE1 4.48Å; Q676-F720 HydrophobicContact CG-CZ 4.04Å; I678-F720 HydrophobicContact CD1-CD1 4.04Å; I678-F720 HydrophobicContact CD1-CE1 3.88Å; I678-F720 HydrophobicContact CG1-CE1 4.35Å; F713-F720 HydrophobicContact CE1-CD1 4.47Å; F720-V735 WeakPolarHBondContact O-CG2 3.32Å; F720-V735 PolarHBondContact O-N 2.88Å; F720-Q736 HydrophobicContact CB-CB 4.17Å; F720-Q736 HydrophobicContact CG-CB 4.37Å | ||
| 721 | T | 94.4 | Very high | 90.5 | Very high | 15 Ų | 15 | 29.3 Ų | 29.3 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 134.1 | 171.7 | -56 | 0 | 0 | 0 | 0 | 110.4 | C714 D719 L732 W733 L741 L758 A762 | C714-T721 PolarHBondContact N-O 2.89Å; D719-T721 PolarHBondContact O-N 2.81Å; D719-T721 WeakPolarHBondContact OD1-CB 3.19Å; D719-T721 PolarHBondContact OD1-N 3.37Å; D719-T721 PolarHBondContact OD1-OG1 2.87Å; T721-L732 HydrophobicContact CG2-CD2 4.01Å; T721-W733 CarbonylContact C-O 3.46Å; T721-W733 VanDerWaalsContact CA-O 3.24Å; T721-W733 WeakPolarHBondContact CA-O 3.21Å; T721-L741 HydrophobicContact CG2-CD1 4.15Å; T721-L758 HydrophobicContact CG2-CD1 4.15Å; T721-A762 HydrophobicContact CG2-CB 4.13Å |
| 722 | A | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 147.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R712 F713 W733 V735 | R712-A722 CarbonylContact O-C 3.57Å; R712-A722 WeakPolarHBondContact O-CA 3.27Å; R712-A722 WeakPolarHBondContact O-CB 3.46Å; F713-A722 HydrophobicContact CD1-CB 3.91Å; F713-A722 HydrophobicContact CE1-CB 4.13Å; F713-A722 HydrophobicContact CG-CB 4.45Å; A722-W733 PolarHBondContact N-O 3.48Å; A722-W733 PolarHBondContact O-N 3.02Å; A722-V735 HydrophobicContact CB-CG2 3.37Å |
| 723 | I | 95.5 | Very high | 90.5 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.1 | 174.5 | -166.1 | 164.9 | 0 | 0 | 0 | 109.7 | L711 R712 I730 L732 A756 L758 P764 | L711-I723 WeakPolarHBondContact CA-O 3.24Å; R712-I723 HydrophobicContact CB-CG2 4.05Å; R712-I723 PolarHBondContact N-O 3.04Å; R712-I723 PolarHBondContact O-N 3.25Å; I723-I730 HydrophobicContact CD1-CG2 3.78Å; I723-I730 HydrophobicContact CG1-CG2 3.62Å; I723-L732 HydrophobicContact CB-CD2 4.28Å; I723-L732 HydrophobicContact CG1-CD2 4.43Å; I723-A756 HydrophobicContact CD1-CB 3.79Å; I723-L758 HydrophobicContact CB-CD1 3.95Å; I723-L758 HydrophobicContact CB-CD2 4.06Å; I723-L758 HydrophobicContact CB-CG 3.81Å; I723-L758 HydrophobicContact CD1-CD2 4.27Å; I723-L758 HydrophobicContact CG2-CD1 4.09Å; I723-L758 HydrophobicContact CG2-CG 3.82Å; I723-P764 HydrophobicContact CD1-CB 4.09Å |
| 724 | A | 95.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 114.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | V688 V708 L711 H726 I730 S731 | V688-A724 HydrophobicContact CG2-CB 4.25Å; V708-A724 HydrophobicContact CG1-CB 4.44Å; L711-A724 HydrophobicContact CD2-CB 3.49Å; L711-A724 VanDerWaalsContact CD2-CB 3.49Å; A724-H726 PolarHBondContact O-CD2 3.11Å; A724-H726 VanDerWaalsContact O-CD2 3.26Å; A724-I730 CarbonylContact O-C 3.55Å; A724-I730 WeakPolarHBondContact O-CA 3.43Å; A724-S731 PolarHBondContact N-O 3.49Å; A724-S731 PolarHBondContact O-N 3.3Å |
| 725 | L | 95 | Very high | 90.7 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.7 | 172.2 | 178.5 | 62.6 | 0 | 0 | 0 | 108.8 | K709 R710 I730 F746 C753 | K709-L725 PolarHBondContact N-O 3.37Å; R710-L725 HydrophobicContact CB-CB 4.3Å; R710-L725 PolarHBondContact N-O 3.3Å; R710-L725 PolarHBondContact O-N 3.32Å; L725-I730 HydrophobicContact CD1-CD1 4.39Å; L725-I730 HydrophobicContact CD1-CG1 3.92Å; L725-F746 HydrophobicContact CD1-CZ 3.87Å; L725-C753 HydrophobicContact CD1-CB 4.31Å; L725-C753 VanDerWaalsContact CD1-SG 3.54Å |
| 726 | H | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 177.8 | 178.1 | -56.5 | -100.2 | 0 | 0 | 0 | 112 | T703 L705 G706 S707 A724 G729 S731 | T703-H726 PolarHBondContact OG1-CE1 2.84Å; T703-H726 PolarHBondContact OG1-ND1 3.24Å; L705-H726 HydrophobicContact CB-CB 3.69Å; L705-H726 WeakPolarHBondContact O-CB 3.26Å; G706-H726 PolarHBondContact O-ND1 3.14Å; G706-H726 VanDerWaalsContact O-ND1 3.12Å; S707-H726 CarbonylContact O-C 3.59Å; S707-H726 VanDerWaalsContact O-CA 3.27Å; S707-H726 WeakPolarHBondContact O-CA 3.48Å; A724-H726 PolarHBondContact O-CD2 3.11Å; A724-H726 VanDerWaalsContact O-CD2 3.26Å; H726-G729 WeakPolarHBondContact CA-O 3.47Å; H726-G729 VanDerWaalsContact CB-O 3.31Å; H726-G729 WeakPolarHBondContact CB-O 3.48Å; H726-G729 PolarHBondContact N-O 2.91Å; H726-S731 PolarHBondContact NE2-OG 3.1Å |
| 727 | V | 90.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 34% | 0.339 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -65.2 | -38.7 | 172.3 | 175.8 | 0 | 0 | 0 | 0 | 112.2 | S707 K709 F746 | S707-V727 PolarHBondContact O-N 3.48Å; K709-V727 HydrophobicContact CD-CG2 4.5Å; K709-V727 VanDerWaalsContact CE-CG2 3.47Å; K709-V727 HydrophobicContact CG-CG2 4.36Å; V727-F746 WeakPolarHBondContact O-CD2 3.37Å; V727-F746 WeakPolarHBondContact O-CE2 3.06Å |
| 728 | D | 88.6 | Confident | 92 | Very high | 90 Ų | 90 | 30.5 Ų | 30.5 | 48% | 0.481 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -116.1 | 1.7 | -172.2 | -57.9 | -47.5 | 0 | 0 | 0 | 114 | L705 F746 | L705-D728 WeakPolarHBondContact O-CB 3.26Å; L705-D728 PolarHBondContact O-N 3.44Å; L705-D728 VanDerWaalsContact O-N 3.1Å; D728-F746 PolarHBondContact O-N 3.45Å |
| 729 | G | 91.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | -170.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H726 C744 F746 | H726-G729 WeakPolarHBondContact CA-O 3.47Å; H726-G729 VanDerWaalsContact CB-O 3.31Å; H726-G729 WeakPolarHBondContact CB-O 3.48Å; H726-G729 PolarHBondContact N-O 2.91Å; G729-C744 CarbonylContact C-O 3.6Å; G729-C744 WeakPolarHBondContact CA-O 3.29Å; G729-F746 VanDerWaalsContact N-CE2 3.35Å; G729-F746 WeakPolarHBondContact O-CZ 3.27Å |
| 730 | I | 93.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.3 | 177.4 | -47.3 | 179 | 0 | 0 | 0 | 108.1 | I723 A724 L725 H743 C744 F746 C753 A756 V766 F780 | I723-I730 HydrophobicContact CD1-CG2 3.78Å; I723-I730 HydrophobicContact CG1-CG2 3.62Å; A724-I730 CarbonylContact O-C 3.55Å; A724-I730 WeakPolarHBondContact O-CA 3.43Å; L725-I730 HydrophobicContact CD1-CD1 4.39Å; L725-I730 HydrophobicContact CD1-CG1 3.92Å; I730-H743 CarbonylContact O-C 3.52Å; I730-H743 WeakPolarHBondContact O-CA 3.2Å; I730-H743 WeakPolarHBondContact O-CB 3.3Å; I730-C744 PolarHBondContact N-O 2.98Å; I730-C744 PolarHBondContact O-N 3.42Å; I730-F746 HydrophobicContact CD1-CE1 4.21Å; I730-F746 HydrophobicContact CG1-CE1 3.72Å; I730-F746 HydrophobicContact CG1-CZ 4.25Å; I730-C753 HydrophobicContact CD1-CB 4.16Å; I730-A756 HydrophobicContact CD1-CB 4.25Å; I730-V766 HydrophobicContact CD1-CG1 3.87Å; I730-V766 HydrophobicContact CD1-CG2 3.77Å; I730-F780 HydrophobicContact CB-CE1 4.41Å; I730-F780 HydrophobicContact CB-CZ 4.2Å; I730-F780 HydrophobicContact CG2-CE1 4.2Å; I730-F780 HydrophobicContact CG2-CZ 3.77Å |
| 731 | S | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.9 | 171.7 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | A724 H726 W733 S742 | A724-S731 PolarHBondContact N-O 3.49Å; A724-S731 PolarHBondContact O-N 3.3Å; H726-S731 PolarHBondContact NE2-OG 3.1Å; S731-W733 PolarHBondContact OG-NE1 2.94Å; S731-S742 WeakPolarHBondContact CA-O 3.06Å |
| 732 | L | 94.9 | Very high | 92.7 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.6 | 175.9 | -82.9 | 174.6 | 0 | 0 | 0 | 110.5 | T721 I723 R740 L741 S742 L758 P764 A778 F780 | T721-L732 HydrophobicContact CG2-CD2 4.01Å; I723-L732 HydrophobicContact CB-CD2 4.28Å; I723-L732 HydrophobicContact CG1-CD2 4.43Å; L732-R740 CarbonylContact O-C 3.5Å; L732-R740 WeakPolarHBondContact O-CA 3.39Å; L732-L741 HydrophobicContact CB-CB 4.16Å; L732-L741 PolarHBondContact O-N 3.23Å; L732-S742 VanDerWaalsContact CD1-OG 3.28Å; L732-S742 WeakPolarHBondContact CD1-OG 3.27Å; L732-S742 PolarHBondContact N-O 2.66Å; L732-L758 HydrophobicContact CD2-CD1 4.49Å; L732-L758 HydrophobicContact CD2-CD2 3.51Å; L732-P764 HydrophobicContact CD1-CG 3.54Å; L732-P764 HydrophobicContact CD2-CG 4.29Å; L732-P764 HydrophobicContact CG-CG 4.11Å; L732-A778 VanDerWaalsContact CD1-O 3.24Å; L732-A778 WeakPolarHBondContact CD1-O 3.48Å; L732-F780 HydrophobicContact CB-CE2 4.43Å; L732-F780 HydrophobicContact CD1-CE2 3.78Å; L732-F780 HydrophobicContact CD1-CZ 4.16Å; L732-F780 HydrophobicContact CG-CE2 3.77Å; L732-F780 HydrophobicContact CG-CZ 3.99Å |
| 733 | W | 94.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135.6 | -173.9 | -66.2 | 79.2 | 0 | 0 | 0 | 111.5 | V688 T701 T703 T721 A722 S731 V735 L738 V739 R740 | V688-W733 HydrophobicContact CB-CD2 4.36Å; V688-W733 HydrophobicContact CB-CH2 4.2Å; V688-W733 HydrophobicContact CB-CZ2 3.97Å; V688-W733 HydrophobicContact CG1-CD2 4.07Å; V688-W733 HydrophobicContact CG1-CE3 4.38Å; V688-W733 HydrophobicContact CG1-CG 4.44Å; V688-W733 HydrophobicContact CG2-CZ2 3.98Å; T701-W733 HydrophobicContact CG2-CH2 3.69Å; T701-W733 HydrophobicContact CG2-CZ3 4.06Å; T703-W733 HydrophobicContact CG2-CH2 4.06Å; T703-W733 HydrophobicContact CG2-CZ2 3.4Å; T703-W733 VanDerWaalsContact CG2-CZ2 3.4Å; T721-W733 CarbonylContact C-O 3.46Å; T721-W733 VanDerWaalsContact CA-O 3.24Å; T721-W733 WeakPolarHBondContact CA-O 3.21Å; A722-W733 PolarHBondContact N-O 3.48Å; A722-W733 PolarHBondContact O-N 3.02Å; S731-W733 PolarHBondContact OG-NE1 2.94Å; W733-V735 HydrophobicContact CB-CG2 4.19Å; W733-V735 PolarHBondContact O-N 2.83Å; W733-L738 HydrophobicContact CE3-CD1 4.07Å; W733-L738 HydrophobicContact CE3-CG 4.3Å; W733-L738 HydrophobicContact CZ3-CD1 4.35Å; W733-L738 HydrophobicContact CZ3-CG 4.23Å; W733-V739 WeakPolarHBondContact CA-O 3.36Å; W733-R740 HydrophobicContact CD2-CB 4.21Å; W733-R740 HydrophobicContact CD2-CG 4.43Å; W733-R740 HydrophobicContact CE3-CB 4.08Å; W733-R740 HydrophobicContact CH2-CB 3.71Å; W733-R740 HydrophobicContact CH2-CG 4.24Å; W733-R740 HydrophobicContact CZ2-CB 3.78Å; W733-R740 HydrophobicContact CZ2-CG 3.79Å; W733-R740 HydrophobicContact CZ3-CB 3.87Å |
| 734 | N | 93.5 | Very high | 92.1 | Very high | 51 Ų | 51 | 37.2 Ų | 37.2 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 104.1 | 153.6 | -178.4 | -39 | 0 | 0 | 0 | 107 | Q736 T737 L738 V739 L741 | N734-Q736 VanDerWaalsContact C-N 3.33Å; N734-Q736 PolarHBondContact O-N 2.63Å; N734-Q736 PolarHBondContact OD1-N 3.13Å; N734-T737 PolarHBondContact OD1-N 2.81Å; N734-T737 PolarHBondContact OD1-OG1 3.02Å; N734-L738 CarbonylContact O-C 3.59Å; N734-L738 WeakPolarHBondContact O-CA 3.31Å; N734-L738 PolarHBondContact O-N 3.31Å; N734-V739 PolarHBondContact N-O 3.47Å; N734-V739 PolarHBondContact O-N 3.29Å; N734-L741 HydrophobicContact CB-CD1 4.29Å; N734-L741 HydrophobicContact CB-CD2 4.04Å; N734-L741 HydrophobicContact CB-CG 4.24Å |
| 735 | V | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -29.5 | -171.3 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | I678 V680 F713 F720 A722 W733 T737 L738 | I678-V735 HydrophobicContact CG2-CG1 3.68Å; V680-V735 HydrophobicContact CB-CG1 3.79Å; V680-V735 HydrophobicContact CB-CG2 4.45Å; V680-V735 HydrophobicContact CG2-CG1 3.95Å; V680-V735 HydrophobicContact CG2-CG2 4.22Å; F713-V735 HydrophobicContact CD1-CG2 4.45Å; F713-V735 HydrophobicContact CE1-CB 3.84Å; F713-V735 HydrophobicContact CE1-CG1 4.1Å; F713-V735 HydrophobicContact CE1-CG2 3.63Å; F713-V735 HydrophobicContact CZ-CB 4.32Å; F713-V735 HydrophobicContact CZ-CG1 4.06Å; F713-V735 HydrophobicContact CZ-CG2 4.19Å; F720-V735 WeakPolarHBondContact O-CG2 3.32Å; F720-V735 PolarHBondContact O-N 2.88Å; A722-V735 HydrophobicContact CB-CG2 3.37Å; W733-V735 HydrophobicContact CB-CG2 4.19Å; W733-V735 PolarHBondContact O-N 2.83Å; V735-T737 VanDerWaalsContact C-N 3.33Å; V735-T737 PolarHBondContact O-N 2.99Å; V735-L738 PolarHBondContact O-N 3.4Å; V735-L738 VanDerWaalsContact O-N 3.17Å |
| 736 | Q | 88.5 | Confident | 90.9 | Very high | 115 Ų | 115 | 39.9 Ų | 39.9 | 54% | 0.537 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -39.9 | -178.8 | -167 | 164.7 | 4.6 | 0 | 0 | 111.6 | I678 F720 N734 | I678-Q736 HydrophobicContact CD1-CB 4.29Å; I678-Q736 HydrophobicContact CD1-CG 4.17Å; F720-Q736 HydrophobicContact CB-CB 4.17Å; F720-Q736 HydrophobicContact CG-CB 4.37Å; N734-Q736 VanDerWaalsContact C-N 3.33Å; N734-Q736 PolarHBondContact O-N 2.63Å; N734-Q736 PolarHBondContact OD1-N 3.13Å |
| 737 | T | 88.5 | Confident | 89.7 | Confident | 76 Ų | 76 | 45.1 Ų | 45.1 | 47% | 0.466 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -12.7 | 172.5 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | N734 V735 V739 | N734-T737 PolarHBondContact OD1-N 2.81Å; N734-T737 PolarHBondContact OD1-OG1 3.02Å; V735-T737 VanDerWaalsContact C-N 3.33Å; V735-T737 PolarHBondContact O-N 2.99Å; T737-V739 VanDerWaalsContact C-N 3.29Å; T737-V739 WeakPolarHBondContact OG1-CG2 3.42Å |
| 738 | L | 91.4 | Very high | 88.6 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 44 | -167.9 | -160.7 | 72.4 | 0 | 0 | 0 | 112.9 | V688 K699 W733 N734 V735 | V688-L738 HydrophobicContact CG1-CD1 4.38Å; K699-L738 HydrophobicContact CB-CB 4.21Å; K699-L738 HydrophobicContact CB-CD2 3.4Å; K699-L738 HydrophobicContact CB-CG 4.43Å; K699-L738 HydrophobicContact CD-CB 4.29Å; K699-L738 VanDerWaalsContact O-CD2 3.28Å; K699-L738 WeakPolarHBondContact O-CD2 3.15Å; W733-L738 HydrophobicContact CE3-CD1 4.07Å; W733-L738 HydrophobicContact CE3-CG 4.3Å; W733-L738 HydrophobicContact CZ3-CD1 4.35Å; W733-L738 HydrophobicContact CZ3-CG 4.23Å; N734-L738 CarbonylContact O-C 3.59Å; N734-L738 WeakPolarHBondContact O-CA 3.31Å; N734-L738 PolarHBondContact O-N 3.31Å; V735-L738 PolarHBondContact O-N 3.4Å; V735-L738 VanDerWaalsContact O-N 3.17Å |
| 739 | V | 92.3 | Very high | 87.1 | Confident | 78 Ų | 78 | 46.5 Ų | 46.5 | 47% | 0.473 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.7 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 109 | W733 N734 T737 L741 | W733-V739 WeakPolarHBondContact CA-O 3.36Å; N734-V739 PolarHBondContact N-O 3.47Å; N734-V739 PolarHBondContact O-N 3.29Å; T737-V739 VanDerWaalsContact C-N 3.29Å; T737-V739 WeakPolarHBondContact OG1-CG2 3.42Å; V739-L741 PolarHBondContact O-N 3.46Å |
| 740 | R | 92.4 | Very high | 86.1 | Confident | 90 Ų | 90 | 50.9 Ų | 50.9 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 114.9 | 169.7 | -170 | 173.7 | 68.6 | 175.6 | 4.7 | 108.6 | T703 L732 W733 | T703-R740 PolarHBondContact O-NH1 3.03Å; L732-R740 CarbonylContact O-C 3.5Å; L732-R740 WeakPolarHBondContact O-CA 3.39Å; W733-R740 HydrophobicContact CD2-CB 4.21Å; W733-R740 HydrophobicContact CD2-CG 4.43Å; W733-R740 HydrophobicContact CE3-CB 4.08Å; W733-R740 HydrophobicContact CH2-CB 3.71Å; W733-R740 HydrophobicContact CH2-CG 4.24Å; W733-R740 HydrophobicContact CZ2-CB 3.78Å; W733-R740 HydrophobicContact CZ2-CG 3.79Å; W733-R740 HydrophobicContact CZ3-CB 3.87Å |
| 741 | L | 91.6 | Very high | 85.3 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 50% | 0.503 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | -50.4 | -179.4 | -61.4 | 174.9 | 0 | 0 | 0 | 110.6 | T721 L732 N734 V739 | T721-L741 HydrophobicContact CG2-CD1 4.15Å; L732-L741 HydrophobicContact CB-CB 4.16Å; L732-L741 PolarHBondContact O-N 3.23Å; N734-L741 HydrophobicContact CB-CD1 4.29Å; N734-L741 HydrophobicContact CB-CD2 4.04Å; N734-L741 HydrophobicContact CB-CG 4.24Å; V739-L741 PolarHBondContact O-N 3.46Å |
| 742 | S | 92.2 | Very high | 84.8 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 169.1 | -179.6 | 65.6 | 0 | 0 | 0 | 0 | 110.9 | S731 L732 A778 F780 | S731-S742 WeakPolarHBondContact CA-O 3.06Å; L732-S742 VanDerWaalsContact CD1-OG 3.28Å; L732-S742 WeakPolarHBondContact CD1-OG 3.27Å; L732-S742 PolarHBondContact N-O 2.66Å; S742-A778 VanDerWaalsContact CB-O 3.28Å; S742-A778 WeakPolarHBondContact CB-O 3.3Å; S742-A778 PolarHBondContact OG-O 3.45Å; S742-F780 WeakPolarHBondContact OG-CD2 3.48Å; S742-F780 WeakPolarHBondContact OG-CE2 3.37Å |
| 743 | H | 91.4 | Very high | 84.6 | Confident | 81 Ų | 81 | 59.7 Ų | 59.7 | 38% | 0.375 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 155.6 | 174.4 | 67.8 | -55.4 | 0 | 0 | 0 | 111.1 | L705 I730 | L705-H743 HydrophobicContact CD1-CB 4.09Å; I730-H743 CarbonylContact O-C 3.52Å; I730-H743 WeakPolarHBondContact O-CA 3.2Å; I730-H743 WeakPolarHBondContact O-CB 3.3Å |
| 744 | C | 87.3 | Confident | 84.3 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145 | 172.5 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | G729 I730 V749 F780 | G729-C744 CarbonylContact C-O 3.6Å; G729-C744 WeakPolarHBondContact CA-O 3.29Å; I730-C744 PolarHBondContact N-O 2.98Å; I730-C744 PolarHBondContact O-N 3.42Å; C744-V749 HydrophobicContact CB-CG2 4.34Å; C744-F780 HydrophobicContact CB-CB 3.8Å; C744-F780 HydrophobicContact CB-CD1 4.37Å; C744-F780 HydrophobicContact CB-CD2 4.34Å; C744-F780 HydrophobicContact CB-CG 3.96Å |
| 745 | C | 85.8 | Confident | 84.3 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 24% | 0.243 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 143.6 | 174 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | L705 P747 E748 V749 | L705-C745 VanDerWaalsContact CD2-SG 3.56Å; C745-P747 VanDerWaalsContact C-CD 3.42Å; C745-E748 HydrophobicContact CB-CG 4.31Å; C745-E748 PolarHBondContact N-OE2 3.2Å; C745-E748 WeakPolarHBondContact O-CB 3.12Å; C745-E748 PolarHBondContact O-N 3.12Å; C745-E748 VanDerWaalsContact O-N 3.07Å; C745-V749 PolarHBondContact O-N 3.31Å |
| 746 | F | 78.7 | Confident | 84.4 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -34.6 | 179.9 | -61.3 | -33.7 | 0 | 0 | 0 | 115.6 | L725 V727 D728 G729 I730 E748 V749 C753 | L725-F746 HydrophobicContact CD1-CZ 3.87Å; V727-F746 WeakPolarHBondContact O-CD2 3.37Å; V727-F746 WeakPolarHBondContact O-CE2 3.06Å; D728-F746 PolarHBondContact O-N 3.45Å; G729-F746 VanDerWaalsContact N-CE2 3.35Å; G729-F746 WeakPolarHBondContact O-CZ 3.27Å; I730-F746 HydrophobicContact CD1-CE1 4.21Å; I730-F746 HydrophobicContact CG1-CE1 3.72Å; I730-F746 HydrophobicContact CG1-CZ 4.25Å; F746-E748 PolarHBondContact O-N 3.17Å; F746-V749 PolarHBondContact O-N 2.94Å; F746-C753 HydrophobicContact CD1-CB 3.89Å; F746-C753 HydrophobicContact CE1-CB 3.16Å; F746-C753 HydrophobicContact CE2-CB 4.5Å; F746-C753 HydrophobicContact CZ-CB 3.55Å |
| 747 | P | 70.4 | Confident | 84.7 | Confident | 110 Ų | 110 | 55.2 Ų | 55.2 | 71% | 0.714 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.1 | 174 | -25.4 | 35.6 | 0 | 0 | 0 | 113.7 | C745 | C745-P747 VanDerWaalsContact C-CD 3.42Š|
| 748 | E | 66.6 | Low | 84.9 | Confident | 139 Ų | 139 | 51.6 Ų | 51.6 | 65% | 0.65 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -33.4 | 179.9 | -61.8 | 170.4 | 157.8 | 0 | 0 | 111.5 | C745 F746 C750 | C745-E748 HydrophobicContact CB-CG 4.31Å; C745-E748 PolarHBondContact N-OE2 3.2Å; C745-E748 WeakPolarHBondContact O-CB 3.12Å; C745-E748 PolarHBondContact O-N 3.12Å; C745-E748 VanDerWaalsContact O-N 3.07Å; F746-E748 PolarHBondContact O-N 3.17Å; E748-C750 PolarHBondContact O-N 3.04Å |
| 749 | V | 58.4 | Low | 84.7 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 22% | 0.218 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -76.9 | -5.5 | -178.1 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | C744 C745 F746 V751 F776 | C744-V749 HydrophobicContact CB-CG2 4.34Å; C745-V749 PolarHBondContact O-N 3.31Å; F746-V749 PolarHBondContact O-N 2.94Å; V749-V751 WeakPolarHBondContact O-CG2 3.48Å; V749-V751 PolarHBondContact O-N 2.96Å; V749-F776 HydrophobicContact CG1-CZ 4.25Å |
| 750 | C | 68.9 | Low | 84.2 | Confident | 92 Ų | 92 | 47.5 Ų | 47.5 | 62% | 0.622 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 54.8 | -5.4 | -173.5 | -65.1 | 0 | 0 | 0 | 0 | 115.5 | E748 | E748-C750 PolarHBondContact O-N 3.04Š|
| 751 | V | 77.1 | Confident | 83.7 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 12% | 0.121 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -137.1 | 139.9 | -176.3 | -150 | 0 | 0 | 0 | 0 | 109.6 | V749 D770 | V749-V751 WeakPolarHBondContact O-CG2 3.48Å; V749-V751 PolarHBondContact O-N 2.96Å; V751-D770 HydrophobicContact CG1-CB 3.91Å |
| 752 | R | 84.2 | Confident | 83.5 | Confident | 158 Ų | 158 | 43.2 Ų | 43.2 | 60% | 0.596 | 23% | 0.231 | S | C | * | . | trans | -76.1 | 130.4 | -179 | 178.1 | 178 | 173 | 160.5 | -2.1 | 110.8 | T768 S769 | R752-T768 CarbonylContact O-C 3.55Å; R752-T768 WeakPolarHBondContact O-CA 3.13Å; R752-S769 PolarHBondContact O-N 2.97Å; R752-S769 PolarHBondContact O-OG 3.25Å | ||
| 753 | C | 89.3 | Confident | 83.3 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 8% | 0.081 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 134.7 | 169.3 | -179.8 | 0 | 0 | 0 | 0 | 111 | L725 I730 F746 D755 V766 | L725-C753 HydrophobicContact CD1-CB 4.31Å; L725-C753 VanDerWaalsContact CD1-SG 3.54Å; I730-C753 HydrophobicContact CD1-CB 4.16Å; F746-C753 HydrophobicContact CD1-CB 3.89Å; F746-C753 HydrophobicContact CE1-CB 3.16Å; F746-C753 HydrophobicContact CE2-CB 4.5Å; F746-C753 HydrophobicContact CZ-CB 3.55Å; C753-D755 PolarHBondContact SG-O 2.68Å; C753-D755 VanDerWaalsContact SG-O 3.39Å; C753-V766 HydrophobicContact CB-CG1 4.12Å; C753-V766 VanDerWaalsContact SG-CG1 3.54Å |
| 754 | L | 90.1 | Very high | 83.4 | Confident | 63 Ų | 63 | 40 Ų | 40 | 33% | 0.33 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -44.5 | 173.9 | -63.6 | 178.1 | 0 | 0 | 0 | 111.3 | V442 L767 | V442-L754 HydrophobicContact CG2-CD1 3.71Å; V442-L754 WeakPolarHBondContact O-CD1 3.36Å; L754-L767 HydrophobicContact CB-CD2 4.43Å; L754-L767 HydrophobicContact CB-CG 4.5Å; L754-L767 PolarHBondContact N-O 3.23Å |
| 755 | D | 93.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 158.4 | 179 | -159.5 | 13.3 | 0 | 0 | 0 | 110.7 | I444 L445 R446 R710 R712 C753 L767 | I444-D755 WeakPolarHBondContact CG1-OD2 3.05Å; L445-D755 HydrophobicContact CB-CB 4.34Å; L445-D755 PolarHBondContact N-OD2 2.95Å; L445-D755 VanDerWaalsContact O-OD2 3.09Å; R446-D755 IonicContact NH1-OD2 2.64Å; R446-D755 PolarHBondContact NH1-OD2 2.81Å; R710-D755 IonicContact CZ-OD1 3.41Å; R710-D755 IonicContact NH1-OD1 2.92Å; R710-D755 PolarHBondContact NH1-OD1 3.31Å; R710-D755 IonicContact NH1-OD2 3.19Å; R710-D755 PolarHBondContact NH1-OD2 2.92Å; R712-D755 IonicContact CZ-OD1 3.82Å; R712-D755 IonicContact NH1-OD1 3.57Å; R712-D755 IonicContact NH1-OD2 3.95Å; R712-D755 IonicContact NH2-OD1 2.63Å; R712-D755 PolarHBondContact NH2-OD1 2.97Å; R712-D755 IonicContact NH2-OD2 3.48Å; R712-D755 PolarHBondContact NH2-OD2 2.83Å; C753-D755 PolarHBondContact SG-O 2.68Å; C753-D755 VanDerWaalsContact SG-O 3.39Å; D755-L767 HydrophobicContact CB-CB 4.27Å; D755-L767 HydrophobicContact CB-CD2 4.37Å; D755-L767 PolarHBondContact N-O 3.39Å; D755-L767 PolarHBondContact O-N 3.21Å |
| 756 | A | 94.3 | Very high | 84 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 149.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R712 I723 I730 V765 V766 | R712-A756 VanDerWaalsContact CZ-O 3.26Å; R712-A756 PolarHBondContact NH1-O 2.93Å; R712-A756 PolarHBondContact NH2-O 3.08Å; I723-A756 HydrophobicContact CD1-CB 3.79Å; I730-A756 HydrophobicContact CD1-CB 4.25Å; A756-V765 CarbonylContact C-O 3.48Å; A756-V765 VanDerWaalsContact CA-O 3.28Å; A756-V765 WeakPolarHBondContact CA-O 3.38Å; A756-V766 HydrophobicContact CB-CG2 4.36Å |
| 757 | D | 94.1 | Very high | 84.7 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 180 | 176.5 | -143.4 | -25.8 | 0 | 0 | 0 | 110.5 | L445 M447 R712 V765 | L445-D757 HydrophobicContact CD2-CB 3.59Å; M447-D757 HydrophobicContact CB-CB 4.38Å; M447-D757 PolarHBondContact N-OD2 3Å; M447-D757 VanDerWaalsContact N-OD2 3.12Å; R712-D757 WeakPolarHBondContact CD-OD1 3.47Å; R712-D757 IonicContact CZ-OD2 3.17Å; R712-D757 VanDerWaalsContact NH1-CG 3.3Å; R712-D757 IonicContact NH1-OD2 3.8Å; R712-D757 PolarHBondContact NH1-OD2 2.74Å; D757-V765 PolarHBondContact N-O 3.3Å; D757-V765 PolarHBondContact O-N 2.81Å |
| 758 | L | 92 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 137.4 | 176.2 | -69.8 | 168.4 | 0 | 0 | 0 | 111.6 | M447 C714 T721 I723 L732 | M447-L758 WeakPolarHBondContact CB-O 3.41Å; M447-L758 VanDerWaalsContact CG-O 3.32Å; M447-L758 WeakPolarHBondContact CG-O 3.28Å; C714-L758 HydrophobicContact CB-CB 4.41Å; C714-L758 HydrophobicContact CB-CD1 4.13Å; T721-L758 HydrophobicContact CG2-CD1 4.15Å; I723-L758 HydrophobicContact CB-CD1 3.95Å; I723-L758 HydrophobicContact CB-CD2 4.06Å; I723-L758 HydrophobicContact CB-CG 3.81Å; I723-L758 HydrophobicContact CD1-CD2 4.27Å; I723-L758 HydrophobicContact CG2-CD1 4.09Å; I723-L758 HydrophobicContact CG2-CG 3.82Å; L732-L758 HydrophobicContact CD2-CD1 4.49Å; L732-L758 HydrophobicContact CD2-CD2 3.51Å |
| 759 | S | 88.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | trans | -70.4 | 168 | 164.9 | 79.5 | 0 | 0 | 0 | 0 | 110.5 | C714 D761 A762 C763 | C714-S759 PolarHBondContact SG-O 3.13Å; C714-S759 VanDerWaalsContact SG-O 3.4Å; S759-D761 PolarHBondContact O-N 3.2Å; S759-D761 PolarHBondContact OG-N 3.5Å; S759-A762 WeakPolarHBondContact O-CA 3.36Å; S759-A762 PolarHBondContact O-N 3.22Å; S759-C763 PolarHBondContact N-O 3.49Å; S759-C763 WeakPolarHBondContact OG-CB 3.31Å; S759-C763 PolarHBondContact OG-N 2.87Å; S759-C763 PolarHBondContact OG-O 3.04Å | ||
| 760 | E | 82.2 | Confident | 88 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.9 | 176.8 | -61.9 | 174.1 | 145.4 | 0 | 0 | 113.8 | K455 H456 A762 | K455-E760 WeakPolarHBondContact CA-OE1 3.31Å; K455-E760 WeakPolarHBondContact CA-OE2 3.24Å; K455-E760 WeakPolarHBondContact CB-OE2 3.02Å; K455-E760 WeakPolarHBondContact CG-OE2 3.19Å; H456-E760 PolarHBondContact N-OE1 2.77Å; H456-E760 PolarHBondContact N-OE2 3.18Å; E760-A762 VanDerWaalsContact C-N 3.27Å |
| 761 | D | 81.9 | Confident | 88.9 | Confident | 81 Ų | 81 | 23 Ų | 23 | 43% | 0.433 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 15.6 | 172.8 | -59 | -39.8 | 0 | 0 | 0 | 111.5 | K455 Q457 S759 C763 | K455-D761 IonicContact NZ-OD1 2.68Å; K455-D761 PolarHBondContact NZ-OD1 3.42Å; Q457-D761 PolarHBondContact NE2-OD2 2.97Å; S759-D761 PolarHBondContact O-N 3.2Å; S759-D761 PolarHBondContact OG-N 3.5Å; D761-C763 PolarHBondContact O-N 3.26Å |
| 762 | A | 86.2 | Confident | 89.5 | Confident | 14 Ų | 14 | 22 Ų | 22 | 12% | 0.116 | 12% | 0.117 | C | C | . | . | S | Bend | trans | 58.9 | 22.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | D719 T721 S759 E760 | D719-A762 WeakPolarHBondContact OD2-CB 3.5Å; T721-A762 HydrophobicContact CG2-CB 4.13Å; S759-A762 WeakPolarHBondContact O-CA 3.36Å; S759-A762 PolarHBondContact O-N 3.22Å; E760-A762 VanDerWaalsContact C-N 3.27Å |
| 763 | C | 89.3 | Confident | 89.9 | Confident | 28 Ų | 28 | 14.6 Ų | 14.6 | 19% | 0.189 | 9% | 0.09 | C | C | . | . | trans | -83.3 | 138.8 | 173.2 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | S759 D761 V765 L775 | S759-C763 PolarHBondContact N-O 3.49Å; S759-C763 WeakPolarHBondContact OG-CB 3.31Å; S759-C763 PolarHBondContact OG-N 2.87Å; S759-C763 PolarHBondContact OG-O 3.04Å; D761-C763 PolarHBondContact O-N 3.26Å; C763-V765 PolarHBondContact O-N 3.15Å; C763-L775 HydrophobicContact CB-CD1 3.59Å | ||
| 764 | P | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 126 | 177.5 | -18.9 | 31.1 | 0 | 0 | 0 | 112.6 | I723 L732 V766 L775 F776 F780 | I723-P764 HydrophobicContact CD1-CB 4.09Å; L732-P764 HydrophobicContact CD1-CG 3.54Å; L732-P764 HydrophobicContact CD2-CG 4.29Å; L732-P764 HydrophobicContact CG-CG 4.11Å; P764-V766 HydrophobicContact CB-CG2 4.36Å; P764-L775 WeakPolarHBondContact O-CA 3.43Å; P764-F776 HydrophobicContact CB-CB 4.32Å; P764-F776 HydrophobicContact CG-CB 4.43Å; P764-F776 PolarHBondContact O-N 2.9Å; P764-F780 HydrophobicContact CB-CD1 4.21Å; P764-F780 HydrophobicContact CB-CE1 3.34Å; P764-F780 HydrophobicContact CB-CZ 3.67Å; P764-F780 HydrophobicContact CG-CD1 4.12Å; P764-F780 HydrophobicContact CG-CE1 3.44Å; P764-F780 VanDerWaalsContact CG-CE1 3.44Å; P764-F780 HydrophobicContact CG-CE2 4.07Å; P764-F780 HydrophobicContact CG-CZ 3.41Å; P764-F780 VanDerWaalsContact CG-CZ 3.41Å |
| 765 | V | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.7 | 169.7 | -174.5 | 0 | 0 | 0 | 0 | 108 | L445 L473 A756 D757 C763 V773 R774 L775 | L445-V765 HydrophobicContact CD1-CG1 3.83Å; L445-V765 HydrophobicContact CD2-CB 4.32Å; L445-V765 HydrophobicContact CD2-CG1 3.92Å; L473-V765 HydrophobicContact CD1-CG1 4.22Å; L473-V765 HydrophobicContact CD1-CG2 3.62Å; A756-V765 CarbonylContact C-O 3.48Å; A756-V765 VanDerWaalsContact CA-O 3.28Å; A756-V765 WeakPolarHBondContact CA-O 3.38Å; D757-V765 PolarHBondContact N-O 3.3Å; D757-V765 PolarHBondContact O-N 2.81Å; C763-V765 PolarHBondContact O-N 3.15Å; V765-V773 HydrophobicContact CG1-CG1 3.73Å; V765-R774 CarbonylContact C-O 3.59Å; V765-R774 WeakPolarHBondContact CA-O 3.22Å; V765-L775 HydrophobicContact CG2-CD1 3.81Å |
| 766 | V | 93 | Very high | 89.9 | Confident | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.018 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.9 | -171.8 | -176 | 0 | 0 | 0 | 0 | 110.1 | I730 C753 A756 P764 T768 V773 R774 F776 F780 | I730-V766 HydrophobicContact CD1-CG1 3.87Å; I730-V766 HydrophobicContact CD1-CG2 3.77Å; C753-V766 HydrophobicContact CB-CG1 4.12Å; C753-V766 VanDerWaalsContact SG-CG1 3.54Å; A756-V766 HydrophobicContact CB-CG2 4.36Å; P764-V766 HydrophobicContact CB-CG2 4.36Å; V766-T768 HydrophobicContact CG1-CG2 3.95Å; V766-V773 WeakPolarHBondContact O-CA 3.36Å; V766-R774 PolarHBondContact N-O 3.39Å; V766-R774 PolarHBondContact O-N 3.45Å; V766-F776 HydrophobicContact CB-CD2 4.18Å; V766-F776 HydrophobicContact CB-CE2 3.93Å; V766-F776 HydrophobicContact CG2-CD2 3.73Å; V766-F776 HydrophobicContact CG2-CE2 3.86Å; V766-F780 HydrophobicContact CG2-CE1 4.46Å |
| 767 | L | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.5 | 170.6 | -173.2 | 71.2 | 0 | 0 | 0 | 109.2 | V442 L445 V461 L754 D755 V773 | V442-L767 HydrophobicContact CB-CD1 3.81Å; V442-L767 HydrophobicContact CB-CD2 3.9Å; V442-L767 HydrophobicContact CB-CG 4.14Å; V442-L767 HydrophobicContact CG1-CD1 4.11Å; V442-L767 HydrophobicContact CG2-CD1 3.65Å; V442-L767 HydrophobicContact CG2-CD2 3.89Å; V442-L767 HydrophobicContact CG2-CG 3.72Å; L445-L767 HydrophobicContact CB-CB 4.02Å; L445-L767 HydrophobicContact CB-CD2 4.15Å; L445-L767 HydrophobicContact CD1-CB 4.12Å; L445-L767 HydrophobicContact CD1-CD1 4.44Å; V461-L767 HydrophobicContact CG1-CD1 4.05Å; L754-L767 HydrophobicContact CB-CD2 4.43Å; L754-L767 HydrophobicContact CB-CG 4.5Å; L754-L767 PolarHBondContact N-O 3.23Å; D755-L767 HydrophobicContact CB-CB 4.27Å; D755-L767 HydrophobicContact CB-CD2 4.37Å; D755-L767 PolarHBondContact N-O 3.39Å; D755-L767 PolarHBondContact O-N 3.21Å; L767-V773 HydrophobicContact CD1-CG2 3.53Å |
| 768 | T | 90.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 160.4 | -171.8 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | R752 V766 D770 G771 C772 R774 | R752-T768 CarbonylContact O-C 3.55Å; R752-T768 WeakPolarHBondContact O-CA 3.13Å; V766-T768 HydrophobicContact CG1-CG2 3.95Å; T768-D770 WeakPolarHBondContact CB-OD1 3.32Å; T768-D770 PolarHBondContact O-N 2.99Å; T768-D770 PolarHBondContact OG1-OD1 3.42Å; T768-G771 PolarHBondContact O-N 2.79Å; T768-C772 PolarHBondContact N-O 3.35Å; T768-C772 VanDerWaalsContact N-O 3.14Å; T768-C772 PolarHBondContact OG1-O 2.93Å; T768-R774 PolarHBondContact OG1-NH1 3.36Å |
| 769 | S | 87.5 | Confident | 88.8 | Confident | 66 Ų | 66 | 22.6 Ų | 22.6 | 46% | 0.462 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.6 | -173.8 | 61.5 | 0 | 0 | 0 | 0 | 115.1 | R752 | R752-S769 PolarHBondContact O-N 2.97Å; R752-S769 PolarHBondContact O-OG 3.25Å |
| 770 | D | 85.5 | Confident | 88.6 | Confident | 17 Ų | 17 | 23.5 Ų | 23.5 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 3 | 171.3 | 63.1 | -12.8 | 0 | 0 | 0 | 113.1 | H30 V751 T768 C772 R774 | H30-D770 PolarHBondContact NE2-O 3.33Å; V751-D770 HydrophobicContact CG1-CB 3.91Å; T768-D770 WeakPolarHBondContact CB-OD1 3.32Å; T768-D770 PolarHBondContact O-N 2.99Å; T768-D770 PolarHBondContact OG1-OD1 3.42Å; D770-C772 VanDerWaalsContact C-N 3.34Å; D770-C772 PolarHBondContact OD1-N 2.8Å; D770-R774 VanDerWaalsContact CG-NH1 3.31Å; D770-R774 IonicContact OD1-CZ 3.42Å; D770-R774 IonicContact OD1-NH1 3.91Å; D770-R774 PolarHBondContact OD1-NH1 3.22Å; D770-R774 IonicContact OD2-CZ 2.95Å; D770-R774 VanDerWaalsContact OD2-CZ 3.28Å; D770-R774 IonicContact OD2-NH1 3.34Å; D770-R774 PolarHBondContact OD2-NH1 2.9Å; D770-R774 IonicContact OD2-NH2 3.96Å; D770-R774 PolarHBondContact OD2-NH2 3.48Å |
| 771 | G | 87.6 | Confident | 88.5 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 6% | 0.062 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 83 | 9.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G7 I438 T768 | G7-G771 WeakPolarHBondContact CA-O 3.41Å; I438-G771 WeakPolarHBondContact CB-O 3.13Å; I438-G771 WeakPolarHBondContact CG2-O 3.36Å; T768-G771 PolarHBondContact O-N 2.79Å |
| 772 | C | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -90.3 | 152.4 | 177.5 | -61.7 | 0 | 0 | 0 | 0 | 112 | I5 T768 D770 | I5-C772 WeakPolarHBondContact O-CA 3.31Å; I5-C772 WeakPolarHBondContact O-CB 3.21Å; T768-C772 PolarHBondContact N-O 3.35Å; T768-C772 VanDerWaalsContact N-O 3.14Å; T768-C772 PolarHBondContact OG1-O 2.93Å; D770-C772 VanDerWaalsContact C-N 3.34Å; D770-C772 PolarHBondContact OD1-N 2.8Å | ||
| 773 | V | 92.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.9 | 163.7 | 169.8 | 0 | 0 | 0 | 0 | 108.2 | A4 I5 I438 L445 V461 L473 V765 V766 L767 | A4-V773 CarbonylContact C-O 3.41Å; A4-V773 WeakPolarHBondContact CA-O 3.39Å; I5-V773 PolarHBondContact N-O 3.45Å; I5-V773 PolarHBondContact O-N 3.25Å; I5-V773 VanDerWaalsContact O-N 3.14Å; I438-V773 HydrophobicContact CD1-CB 3.44Å; I438-V773 VanDerWaalsContact CD1-CB 3.44Å; I438-V773 HydrophobicContact CD1-CG2 3.2Å; L445-V773 HydrophobicContact CD1-CG1 4.02Å; L445-V773 HydrophobicContact CD1-CG2 3.77Å; V461-V773 HydrophobicContact CG2-CG2 4.11Å; L473-V773 HydrophobicContact CD2-CG1 4.16Å; V765-V773 HydrophobicContact CG1-CG1 3.73Å; V766-V773 WeakPolarHBondContact O-CA 3.36Å; L767-V773 HydrophobicContact CD1-CG2 3.53Å |
| 774 | R | 91.1 | Very high | 88.4 | Confident | 8 Ų | 8 | 26.6 Ų | 26.6 | 3% | 0.03 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 117.5 | -175 | -68.4 | -178.5 | 166.8 | 92.5 | -0.5 | 109.8 | A4 V765 V766 T768 D770 F776 V783 | A4-R774 HydrophobicContact CB-CG 3.93Å; V765-R774 CarbonylContact C-O 3.59Å; V765-R774 WeakPolarHBondContact CA-O 3.22Å; V766-R774 PolarHBondContact N-O 3.39Å; V766-R774 PolarHBondContact O-N 3.45Å; T768-R774 PolarHBondContact OG1-NH1 3.36Å; D770-R774 VanDerWaalsContact CG-NH1 3.31Å; D770-R774 IonicContact OD1-CZ 3.42Å; D770-R774 IonicContact OD1-NH1 3.91Å; D770-R774 PolarHBondContact OD1-NH1 3.22Å; D770-R774 IonicContact OD2-CZ 2.95Å; D770-R774 VanDerWaalsContact OD2-CZ 3.28Å; D770-R774 IonicContact OD2-NH1 3.34Å; D770-R774 PolarHBondContact OD2-NH1 2.9Å; D770-R774 IonicContact OD2-NH2 3.96Å; D770-R774 PolarHBondContact OD2-NH2 3.48Å; R774-F776 HydrophobicContact CB-CD2 4.03Å; R774-F776 HydrophobicContact CB-CE2 3.55Å; R774-F776 HydrophobicContact CB-CZ 4.2Å; R774-F776 HydrophobicContact CG-CE2 4.44Å; R774-V783 HydrophobicContact CB-CG1 3.99Å; R774-V783 HydrophobicContact CG-CG1 4.32Å |
| 775 | L | 91.8 | Very high | 88.1 | Confident | 10 Ų | 10 | 27.8 Ų | 27.8 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 107.1 | 167.9 | 179.5 | 61.8 | 0 | 0 | 0 | 107.4 | M1 P2 K3 C763 P764 V765 | M1-L775 WeakPolarHBondContact O-CD2 3.43Å; M1-L775 VanDerWaalsContact O-CG 3.32Å; M1-L775 WeakPolarHBondContact O-CG 3.48Å; P2-L775 CarbonylContact C-O 3.58Å; P2-L775 WeakPolarHBondContact CA-O 3.03Å; K3-L775 PolarHBondContact N-O 2.96Å; K3-L775 WeakPolarHBondContact O-CA 3.47Å; K3-L775 WeakPolarHBondContact O-CB 3.23Å; K3-L775 PolarHBondContact O-N 3.32Å; C763-L775 HydrophobicContact CB-CD1 3.59Å; P764-L775 WeakPolarHBondContact O-CA 3.43Å; V765-L775 HydrophobicContact CG2-CD1 3.81Å |
| 776 | F | 89.5 | Confident | 87.9 | Confident | 16 Ų | 16 | 30.9 Ų | 30.9 | 7% | 0.07 | 18% | 0.182 | C | C | . | . | trans | -85.8 | 161.7 | 178.1 | -75.1 | -89.8 | 0 | 0 | 0 | 111.1 | V749 P764 V766 R774 F780 V783 | V749-F776 HydrophobicContact CG1-CZ 4.25Å; P764-F776 HydrophobicContact CB-CB 4.32Å; P764-F776 HydrophobicContact CG-CB 4.43Å; P764-F776 PolarHBondContact O-N 2.9Å; V766-F776 HydrophobicContact CB-CD2 4.18Å; V766-F776 HydrophobicContact CB-CE2 3.93Å; V766-F776 HydrophobicContact CG2-CD2 3.73Å; V766-F776 HydrophobicContact CG2-CE2 3.86Å; R774-F776 HydrophobicContact CB-CD2 4.03Å; R774-F776 HydrophobicContact CB-CE2 3.55Å; R774-F776 HydrophobicContact CB-CZ 4.2Å; R774-F776 HydrophobicContact CG-CE2 4.44Å; F776-F780 HydrophobicContact CB-CD1 3.97Å; F776-F780 HydrophobicContact CD1-CB 4.47Å; F776-F780 HydrophobicContact CD1-CD1 4.32Å; F776-F780 HydrophobicContact CD2-CD1 4.21Å; F776-F780 AromaticContact CG-CD1 3.92Å; F776-F780 HydrophobicContact CG-CD1 3.92Å; F776-V783 HydrophobicContact CD1-CG1 3.56Å; F776-V783 HydrophobicContact CD2-CG1 4.18Å; F776-V783 HydrophobicContact CE1-CG1 3.49Å; F776-V783 VanDerWaalsContact CE1-CG1 3.49Å; F776-V783 HydrophobicContact CE2-CG1 4.12Å; F776-V783 HydrophobicContact CG-CG1 3.93Å; F776-V783 HydrophobicContact CZ-CG1 3.78Å | ||
| 777 | D | 87.8 | Confident | 87.7 | Confident | 34 Ų | 34 | 31.1 Ų | 31.1 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | trans | -65.8 | 167.6 | 157.4 | 59.2 | -2.6 | 0 | 0 | 0 | 111.4 | P2 E779 F780 L781 T782 | P2-D777 HydrophobicContact CG-CB 3.78Å; D777-E779 PolarHBondContact O-N 2.96Å; D777-E779 VanDerWaalsContact O-N 3.11Å; D777-F780 PolarHBondContact O-N 2.67Å; D777-F780 VanDerWaalsContact O-N 3.15Å; D777-F780 VanDerWaalsContact OD1-CA 3.3Å; D777-F780 WeakPolarHBondContact OD1-CA 3.32Å; D777-F780 PolarHBondContact OD1-N 3.47Å; D777-L781 PolarHBondContact OD1-N 2.83Å; D777-L781 WeakPolarHBondContact OD2-CB 3.48Å; D777-T782 PolarHBondContact N-O 3.35Å; D777-T782 PolarHBondContact OD1-N 3.3Å | ||
| 778 | A | 84.8 | Confident | 87.5 | Confident | 56 Ų | 56 | 33.3 Ų | 33.3 | 46% | 0.463 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -19.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L732 S742 | L732-A778 VanDerWaalsContact CD1-O 3.24Å; L732-A778 WeakPolarHBondContact CD1-O 3.48Å; S742-A778 VanDerWaalsContact CB-O 3.28Å; S742-A778 WeakPolarHBondContact CB-O 3.3Å; S742-A778 PolarHBondContact OG-O 3.45Å |
| 779 | E | 85.4 | Confident | 87.2 | Confident | 128 Ų | 128 | 39.5 Ų | 39.5 | 60% | 0.598 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -3.9 | -179.6 | -62.3 | -172.8 | 175.4 | 0 | 0 | 113.7 | D777 L781 | D777-E779 PolarHBondContact O-N 2.96Å; D777-E779 VanDerWaalsContact O-N 3.11Å; E779-L781 HydrophobicContact CB-CD1 4.01Å; E779-L781 HydrophobicContact CB-CG 3.8Å; E779-L781 PolarHBondContact O-N 2.99Å; E779-L781 WeakPolarHBondContact OE2-CD1 3.46Å |
| 780 | F | 84.2 | Confident | 87 | Confident | 20 Ų | 20 | 40.8 Ų | 40.8 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 58.4 | 24.4 | -172 | -60.3 | -84.4 | 0 | 0 | 0 | 114.6 | I730 L732 S742 C744 P764 V766 F776 D777 | I730-F780 HydrophobicContact CB-CE1 4.41Å; I730-F780 HydrophobicContact CB-CZ 4.2Å; I730-F780 HydrophobicContact CG2-CE1 4.2Å; I730-F780 HydrophobicContact CG2-CZ 3.77Å; L732-F780 HydrophobicContact CB-CE2 4.43Å; L732-F780 HydrophobicContact CD1-CE2 3.78Å; L732-F780 HydrophobicContact CD1-CZ 4.16Å; L732-F780 HydrophobicContact CG-CE2 3.77Å; L732-F780 HydrophobicContact CG-CZ 3.99Å; S742-F780 WeakPolarHBondContact OG-CD2 3.48Å; S742-F780 WeakPolarHBondContact OG-CE2 3.37Å; C744-F780 HydrophobicContact CB-CB 3.8Å; C744-F780 HydrophobicContact CB-CD1 4.37Å; C744-F780 HydrophobicContact CB-CD2 4.34Å; C744-F780 HydrophobicContact CB-CG 3.96Å; P764-F780 HydrophobicContact CB-CD1 4.21Å; P764-F780 HydrophobicContact CB-CE1 3.34Å; P764-F780 HydrophobicContact CB-CZ 3.67Å; P764-F780 HydrophobicContact CG-CD1 4.12Å; P764-F780 HydrophobicContact CG-CE1 3.44Å; P764-F780 VanDerWaalsContact CG-CE1 3.44Å; P764-F780 HydrophobicContact CG-CE2 4.07Å; P764-F780 HydrophobicContact CG-CZ 3.41Å; P764-F780 VanDerWaalsContact CG-CZ 3.41Å; V766-F780 HydrophobicContact CG2-CE1 4.46Å; F776-F780 HydrophobicContact CB-CD1 3.97Å; F776-F780 HydrophobicContact CD1-CB 4.47Å; F776-F780 HydrophobicContact CD1-CD1 4.32Å; F776-F780 HydrophobicContact CD2-CD1 4.21Å; F776-F780 AromaticContact CG-CD1 3.92Å; F776-F780 HydrophobicContact CG-CD1 3.92Å; D777-F780 PolarHBondContact O-N 2.67Å; D777-F780 VanDerWaalsContact O-N 3.15Å; D777-F780 VanDerWaalsContact OD1-CA 3.3Å; D777-F780 WeakPolarHBondContact OD1-CA 3.32Å; D777-F780 PolarHBondContact OD1-N 3.47Å |
| 781 | L | 81 | Confident | 87.1 | Confident | 128 Ų | 128 | 40.3 Ų | 40.3 | 67% | 0.67 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -78.8 | -38.1 | -178.9 | -65.3 | 175.3 | 0 | 0 | 0 | 112.1 | D777 E779 | D777-L781 PolarHBondContact OD1-N 2.83Å; D777-L781 WeakPolarHBondContact OD2-CB 3.48Å; E779-L781 HydrophobicContact CB-CD1 4.01Å; E779-L781 HydrophobicContact CB-CG 3.8Å; E779-L781 PolarHBondContact O-N 2.99Å; E779-L781 WeakPolarHBondContact OE2-CD1 3.46Å |
| 782 | T | 81.6 | Confident | 87.2 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 29% | 0.288 | 22% | 0.22 | S | C | . | . | trans | -151.1 | 157.7 | -172.4 | -172.2 | 0 | 0 | 0 | 0 | 113.2 | P2 D777 T784 | P2-T782 HydrophobicContact CB-CG2 4.49Å; P2-T782 WeakPolarHBondContact CB-O 3.29Å; P2-T782 HydrophobicContact CG-CG2 4.46Å; D777-T782 PolarHBondContact N-O 3.35Å; D777-T782 PolarHBondContact OD1-N 3.3Å; T782-T784 WeakPolarHBondContact CG2-O 3.32Å; T782-T784 WeakPolarHBondContact OG1-CB 3.27Å; T782-T784 PolarHBondContact OG1-N 2.84Å; T782-T784 PolarHBondContact OG1-O 3.38Å | ||
| 783 | V | 84.3 | Confident | 87 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -112.6 | 15.5 | 167.7 | -62.6 | 0 | 0 | 0 | 0 | 111.2 | P2 K3 A4 L32 A48 R774 F776 | P2-V783 CarbonylContact C-O 3.57Å; P2-V783 VanDerWaalsContact C-O 3.3Å; K3-V783 WeakPolarHBondContact CA-O 3.4Å; K3-V783 PolarHBondContact N-O 2.88Å; A4-V783 HydrophobicContact CB-CB 4.26Å; A4-V783 HydrophobicContact CB-CG2 4.2Å; L32-V783 HydrophobicContact CD2-CG2 4.24Å; A48-V783 HydrophobicContact CB-CG2 3.52Å; R774-V783 HydrophobicContact CB-CG1 3.99Å; R774-V783 HydrophobicContact CG-CG1 4.32Å; F776-V783 HydrophobicContact CD1-CG1 3.56Å; F776-V783 HydrophobicContact CD2-CG1 4.18Å; F776-V783 HydrophobicContact CE1-CG1 3.49Å; F776-V783 VanDerWaalsContact CE1-CG1 3.49Å; F776-V783 HydrophobicContact CE2-CG1 4.12Å; F776-V783 HydrophobicContact CG-CG1 3.93Å; F776-V783 HydrophobicContact CZ-CG1 3.78Å |
| 784 | T | 88.1 | Confident | 86.7 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | trans | -118.8 | 138.3 | -177.8 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | T46 L47 A48 G97 T782 | T46-T784 WeakPolarHBondContact O-CB 3.46Å; T46-T784 PolarHBondContact O-OG1 3.46Å; L47-T784 WeakPolarHBondContact CA-OG1 3.44Å; L47-T784 HydrophobicContact CD2-CG2 3.76Å; A48-T784 PolarHBondContact N-OG1 3.47Å; G97-T784 VanDerWaalsContact CA-CG2 3.47Å; G97-T784 VanDerWaalsContact O-CG2 3.28Å; G97-T784 WeakPolarHBondContact O-CG2 3.05Å; T782-T784 WeakPolarHBondContact CG2-O 3.32Å; T782-T784 WeakPolarHBondContact OG1-CB 3.27Å; T782-T784 PolarHBondContact OG1-N 2.84Å; T782-T784 PolarHBondContact OG1-O 3.38Å | ||
| 785 | S | 86 | Confident | 86.6 | Confident | 26 Ų | 26 | 46.7 Ų | 46.7 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -140.5 | 160.1 | 176.9 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | P2 Q45 V787 | P2-S785 PolarHBondContact O-OG 3.04Å; Q45-S785 PolarHBondContact NE2-O 3.29Å; S785-V787 PolarHBondContact O-N 2.99Å | ||
| 786 | S | 89.4 | Confident | 86.6 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | trans | -61.4 | 137.5 | 165.6 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | R96 E788 | R96-S786 PolarHBondContact O-N 3.13Å; S786-E788 PolarHBondContact OG-OE2 3.47Å | ||
| 787 | V | 89.1 | Confident | 86.6 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | trans | -118.9 | -0.8 | -178.6 | -68.6 | 0 | 0 | 0 | 0 | 112.5 | Q45 L95 S785 D789 H790 L791 | Q45-V787 HydrophobicContact CB-CG2 4.5Å; L95-V787 WeakPolarHBondContact O-CG2 3.24Å; L95-V787 PolarHBondContact O-N 2.96Å; S785-V787 PolarHBondContact O-N 2.99Å; V787-D789 PolarHBondContact O-N 2.96Å; V787-H790 PolarHBondContact O-N 3.45Å; V787-L791 HydrophobicContact CB-CD1 3.79Å; V787-L791 HydrophobicContact CB-CG 4.1Å; V787-L791 HydrophobicContact CG2-CD1 3.46Å; V787-L791 VanDerWaalsContact CG2-CD1 3.46Å; V787-L791 HydrophobicContact CG2-CG 4.31Å; V787-L791 WeakPolarHBondContact O-CB 3.44Å; V787-L791 WeakPolarHBondContact O-CG 3.19Å; V787-L791 PolarHBondContact O-N 3.2Å | ||
| 788 | E | 88.6 | Confident | 86.5 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -51.8 | -54.3 | -174.4 | -68.1 | 172.1 | 136.5 | 0 | 0 | 112.6 | L95 R96 S786 H790 L791 M792 L800 | L95-E788 HydrophobicContact CB-CG 3.81Å; R96-E788 HydrophobicContact CG-CG 4.44Å; R96-E788 WeakPolarHBondContact CG-OE1 3.41Å; R96-E788 WeakPolarHBondContact CG-OE2 3.44Å; R96-E788 IonicContact CZ-OE1 3.56Å; R96-E788 IonicContact NE-OE1 2.67Å; R96-E788 PolarHBondContact NE-OE1 3.05Å; R96-E788 VanDerWaalsContact NE-OE1 3.12Å; R96-E788 IonicContact NE-OE2 3.12Å; R96-E788 IonicContact NH2-OE1 3.21Å; S786-E788 PolarHBondContact OG-OE2 3.47Å; E788-H790 VanDerWaalsContact C-N 3.33Å; E788-H790 PolarHBondContact O-N 2.93Å; E788-L791 PolarHBondContact O-N 3.41Å; E788-M792 PolarHBondContact O-N 3.19Å; E788-M792 VanDerWaalsContact O-N 3.09Å; E788-L800 HydrophobicContact CB-CD2 4.09Å; E788-L800 HydrophobicContact CG-CD2 4.19Å |
| 789 | D | 84.4 | Confident | 86.6 | Confident | 132 Ų | 132 | 43.3 Ų | 43.3 | 71% | 0.706 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.7 | -38.1 | -177.5 | -66.5 | -26.3 | 0 | 0 | 0 | 113 | V787 | V787-D789 PolarHBondContact O-N 2.96Å |
| 790 | H | 84.7 | Confident | 86.7 | Confident | 92 Ų | 92 | 37.9 Ų | 37.9 | 43% | 0.426 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.1 | -39.2 | 179.6 | -178.2 | 63.3 | 0 | 0 | 0 | 111.1 | V787 E788 T794 | V787-H790 PolarHBondContact O-N 3.45Å; E788-H790 VanDerWaalsContact C-N 3.33Å; E788-H790 PolarHBondContact O-N 2.93Å; H790-T794 VanDerWaalsContact O-CG2 3.31Å; H790-T794 WeakPolarHBondContact O-CG2 3.45Å |
| 791 | L | 87.5 | Confident | 86.9 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79.3 | -24.8 | -174.7 | -64.9 | 173.1 | 0 | 0 | 0 | 113.5 | V44 L95 V787 E788 S793 T794 L795 L800 | V44-L791 HydrophobicContact CG1-CD1 3.43Å; V44-L791 VanDerWaalsContact CG1-CD1 3.43Å; V44-L791 HydrophobicContact CG1-CD2 4.11Å; V44-L791 HydrophobicContact CG1-CG 4.4Å; L95-L791 HydrophobicContact CD2-CD1 3.99Å; V787-L791 HydrophobicContact CB-CD1 3.79Å; V787-L791 HydrophobicContact CB-CG 4.1Å; V787-L791 HydrophobicContact CG2-CD1 3.46Å; V787-L791 VanDerWaalsContact CG2-CD1 3.46Å; V787-L791 HydrophobicContact CG2-CG 4.31Å; V787-L791 WeakPolarHBondContact O-CB 3.44Å; V787-L791 WeakPolarHBondContact O-CG 3.19Å; V787-L791 PolarHBondContact O-N 3.2Å; E788-L791 PolarHBondContact O-N 3.41Å; L791-S793 PolarHBondContact O-N 3.34Å; L791-T794 VanDerWaalsContact CA-OG1 3.32Å; L791-T794 WeakPolarHBondContact CA-OG1 3.5Å; L791-T794 PolarHBondContact O-N 3.21Å; L791-T794 PolarHBondContact O-OG1 3.39Å; L791-L795 HydrophobicContact CD2-CD2 3.84Å; L791-L795 HydrophobicContact CD2-CG 4.47Å; L791-L800 HydrophobicContact CB-CD1 3.93Å; L791-L800 HydrophobicContact CB-CD2 4.38Å |
| 792 | M | 88.2 | Confident | 87.1 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.015 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -28.7 | -172.7 | -166.9 | 62.7 | 63.9 | 0 | 0 | 115.3 | E788 L800 H852 K855 Q856 | E788-M792 PolarHBondContact O-N 3.19Å; E788-M792 VanDerWaalsContact O-N 3.09Å; M792-L800 HydrophobicContact CE-CB 3.86Å; M792-L800 HydrophobicContact CE-CD2 4.48Å; M792-L800 WeakPolarHBondContact CE-O 3.4Å; M792-L800 HydrophobicContact SD-CB 4Å; M792-H852 HydrophobicContact CE-CB 4.3Å; M792-H852 VanDerWaalsContact CE-CE1 3.42Å; M792-H852 WeakPolarHBondContact CE-CE1 3.49Å; M792-H852 VanDerWaalsContact CE-ND1 3.31Å; M792-H852 WeakPolarHBondContact CE-ND1 3.41Å; M792-H852 HydrophobicContact SD-CB 3.71Å; M792-K855 HydrophobicContact CB-CD 4.38Å; M792-K855 HydrophobicContact CG-CB 4.18Å; M792-K855 HydrophobicContact CG-CD 3.63Å; M792-K855 WeakPolarHBondContact O-CB 3.38Å; M792-Q856 PolarHBondContact O-NE2 3.12Å; M792-Q856 HydrophobicContact SD-CG 4.22Å |
| 793 | S | 86 | Confident | 87.2 | Confident | 77 Ų | 77 | 34.2 Ų | 34.2 | 54% | 0.538 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 13 | -178.6 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | L791 C859 | L791-S793 PolarHBondContact O-N 3.34Å; S793-C859 VanDerWaalsContact C-SG 3.51Å |
| 794 | T | 86.5 | Confident | 87.1 | Confident | 65 Ų | 65 | 36.6 Ų | 36.6 | 40% | 0.399 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -29.8 | -174 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | H790 L791 | H790-T794 VanDerWaalsContact O-CG2 3.31Å; H790-T794 WeakPolarHBondContact O-CG2 3.45Å; L791-T794 VanDerWaalsContact CA-OG1 3.32Å; L791-T794 WeakPolarHBondContact CA-OG1 3.5Å; L791-T794 PolarHBondContact O-N 3.21Å; L791-T794 PolarHBondContact O-OG1 3.39Å |
| 795 | L | 90.6 | Very high | 87.1 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -152.9 | 157.4 | -177.6 | 62.9 | 86.9 | 0 | 0 | 0 | 110.6 | F24 H37 V44 L791 C797 Q856 | F24-L795 HydrophobicContact CE1-CD1 3.99Å; F24-L795 HydrophobicContact CE1-CD2 4.29Å; F24-L795 HydrophobicContact CZ-CD1 3.71Å; H37-L795 HydrophobicContact CB-CD2 3.78Å; V44-L795 HydrophobicContact CG2-CD2 4.04Å; L791-L795 HydrophobicContact CD2-CD2 3.84Å; L791-L795 HydrophobicContact CD2-CG 4.47Å; L795-C797 HydrophobicContact CD1-CB 3.66Å; L795-Q856 PolarHBondContact O-NE2 2.86Å; L795-Q856 VanDerWaalsContact O-NE2 3.09Å |
| 796 | F | 90.3 | Very high | 87.2 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | trans | -83 | 120.7 | 176.4 | -178.5 | -101.9 | 0 | 0 | 0 | 110.4 | P798 I809 Q856 C859 I860 L884 F885 | F796-P798 HydrophobicContact CD1-CG 4.49Å; F796-P798 HydrophobicContact CE1-CG 3.6Å; F796-P798 HydrophobicContact CZ-CG 3.67Å; F796-I809 HydrophobicContact CE2-CG2 4.11Å; F796-I809 HydrophobicContact CZ-CG2 4.32Å; F796-Q856 WeakPolarHBondContact CD2-O 3.32Å; F796-C859 HydrophobicContact CB-CB 4.09Å; F796-I860 HydrophobicContact CD2-CD1 4.14Å; F796-I860 HydrophobicContact CD2-CG1 3.35Å; F796-I860 HydrophobicContact CE2-CD1 3.8Å; F796-I860 HydrophobicContact CE2-CG1 3.53Å; F796-I860 HydrophobicContact CG-CG1 3.99Å; F796-I860 HydrophobicContact CZ-CD1 4.46Å; F796-I860 HydrophobicContact CZ-CG1 4.3Å; F796-L884 HydrophobicContact CD1-CD1 3.58Å; F796-L884 HydrophobicContact CD1-CG 4.02Å; F796-L884 HydrophobicContact CE1-CD1 3.63Å; F796-L884 HydrophobicContact CE1-CD2 4.07Å; F796-L884 HydrophobicContact CE1-CG 3.49Å; F796-L884 VanDerWaalsContact CE1-CG 3.49Å; F796-L884 HydrophobicContact CG-CD1 4.37Å; F796-L884 HydrophobicContact CZ-CD1 4.43Å; F796-L884 HydrophobicContact CZ-CD2 4.12Å; F796-L884 HydrophobicContact CZ-CG 4.04Å; F796-F885 HydrophobicContact CZ-CE2 4.08Å; F796-F885 HydrophobicContact CZ-CZ 4.2Å | ||
| 797 | C | 89.4 | Confident | 87 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | trans | -151.7 | 103 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 108.7 | F24 L795 M799 L800 Q856 | F24-C797 HydrophobicContact CE2-CB 3.99Å; F24-C797 VanDerWaalsContact CE2-SG 3.6Å; F24-C797 HydrophobicContact CZ-CB 3.8Å; L795-C797 HydrophobicContact CD1-CB 3.66Å; C797-M799 PolarHBondContact O-N 2.99Å; C797-L800 HydrophobicContact CB-CD1 3.82Å; C797-L800 HydrophobicContact CB-CG 4.08Å; C797-L800 WeakPolarHBondContact O-CB 3.46Å; C797-L800 PolarHBondContact O-N 3.34Å; C797-Q856 PolarHBondContact O-OE1 2.86Å | ||
| 798 | P | 85.9 | Confident | 86.9 | Confident | 17 Ų | 17 | 33 Ų | 33 | 11% | 0.11 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -53.5 | -28.5 | -178.7 | -27.5 | 34 | 0 | 0 | 0 | 114.2 | F796 L800 C801 A806 F885 | F796-P798 HydrophobicContact CD1-CG 4.49Å; F796-P798 HydrophobicContact CE1-CG 3.6Å; F796-P798 HydrophobicContact CZ-CG 3.67Å; P798-L800 PolarHBondContact O-N 3.27Å; P798-C801 PolarHBondContact O-N 3.37Å; P798-C801 VanDerWaalsContact O-N 3.16Å; P798-A806 HydrophobicContact CB-CB 4.09Å; P798-F885 HydrophobicContact CB-CD1 3.88Å; P798-F885 HydrophobicContact CB-CE1 3.73Å; P798-F885 HydrophobicContact CG-CD1 3.54Å; P798-F885 HydrophobicContact CG-CE1 3.64Å; P798-F885 HydrophobicContact CG-CG 4.15Å; P798-F885 HydrophobicContact CG-CZ 4.3Å |
| 799 | M | 86.6 | Confident | 87 | Confident | 15 Ų | 15 | 30.8 Ų | 30.8 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -69.1 | -10.9 | 179.6 | -56.7 | -60.1 | -64.2 | 0 | 0 | 114.4 | W21 W76 Y77 L78 L95 C797 C801 | W21-M799 HydrophobicContact CH2-SD 4.37Å; W76-M799 HydrophobicContact CD2-CE 3.74Å; W76-M799 HydrophobicContact CD2-SD 4.2Å; W76-M799 VanDerWaalsContact CE2-SD 3.59Å; W76-M799 HydrophobicContact CE3-CE 4.14Å; W76-M799 HydrophobicContact CE3-SD 4.47Å; W76-M799 HydrophobicContact CG-CE 4.15Å; W76-M799 HydrophobicContact CH2-CE 4.33Å; W76-M799 HydrophobicContact CH2-SD 3.61Å; W76-M799 HydrophobicContact CZ2-CE 3.97Å; W76-M799 HydrophobicContact CZ2-SD 3.27Å; W76-M799 WeakPolarHBondContact CZ2-SD 3.38Å; W76-M799 HydrophobicContact CZ3-CE 4.43Å; W76-M799 HydrophobicContact CZ3-SD 4.22Å; Y77-M799 WeakPolarHBondContact O-CE 3.5Å; L78-M799 HydrophobicContact CB-CB 4.47Å; L78-M799 HydrophobicContact CD1-CG 4.01Å; L95-M799 HydrophobicContact CD1-CB 4.04Å; C797-M799 PolarHBondContact O-N 2.99Å; M799-C801 VanDerWaalsContact C-N 3.35Å |
| 800 | L | 88.7 | Confident | 87.2 | Confident | 13 Ų | 13 | 25.4 Ų | 25.4 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -77.6 | -23.7 | 172.8 | -70.7 | 168.6 | 0 | 0 | 0 | 112.1 | L95 E788 L791 M792 C797 P798 | L95-L800 HydrophobicContact CD1-CD2 3.86Å; L95-L800 HydrophobicContact CD1-CG 4.21Å; L95-L800 HydrophobicContact CD2-CD2 4.4Å; E788-L800 HydrophobicContact CB-CD2 4.09Å; E788-L800 HydrophobicContact CG-CD2 4.19Å; L791-L800 HydrophobicContact CB-CD1 3.93Å; L791-L800 HydrophobicContact CB-CD2 4.38Å; M792-L800 HydrophobicContact CE-CB 3.86Å; M792-L800 HydrophobicContact CE-CD2 4.48Å; M792-L800 WeakPolarHBondContact CE-O 3.4Å; M792-L800 HydrophobicContact SD-CB 4Å; C797-L800 HydrophobicContact CB-CD1 3.82Å; C797-L800 HydrophobicContact CB-CG 4.08Å; C797-L800 WeakPolarHBondContact O-CB 3.46Å; C797-L800 PolarHBondContact O-N 3.34Å; P798-L800 PolarHBondContact O-N 3.27Å |
| 801 | C | 87.8 | Confident | 87.3 | Confident | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -86.3 | 160.1 | 169 | -64.1 | 0 | 0 | 0 | 0 | 110 | W76 P798 M799 | W76-C801 PolarHBondContact NE1-O 3.46Å; P798-C801 PolarHBondContact O-N 3.37Å; P798-C801 VanDerWaalsContact O-N 3.16Å; M799-C801 VanDerWaalsContact C-N 3.35Å |
| 802 | S | 86.2 | Confident | 87.4 | Confident | 38 Ų | 38 | 21.3 Ų | 21.3 | 27% | 0.266 | 12% | 0.121 | S | C | . | . | trans | -63.7 | 163.1 | 163 | 80.4 | 0 | 0 | 0 | 0 | 109.9 | P804 G805 A806 E849 | S802-P804 VanDerWaalsContact OG-CD 3.3Å; S802-P804 WeakPolarHBondContact OG-CD 3.35Å; S802-G805 WeakPolarHBondContact O-CA 3.42Å; S802-G805 PolarHBondContact O-N 3.32Å; S802-G805 PolarHBondContact OG-N 3.13Å; S802-A806 PolarHBondContact O-N 2.93Å; S802-E849 WeakPolarHBondContact CA-OE1 3.32Å; S802-E849 VanDerWaalsContact CB-OE1 3.25Å; S802-E849 WeakPolarHBondContact CB-OE1 3.28Å; S802-E849 WeakPolarHBondContact CB-OE2 3.41Å; S802-E849 PolarHBondContact N-OE1 3.1Å; S802-E849 PolarHBondContact OG-OE1 2.85Å; S802-E849 PolarHBondContact OG-OE2 2.84Å | ||
| 803 | R | 82.2 | Confident | 87.5 | Confident | 78 Ų | 78 | 21.2 Ų | 21.2 | 29% | 0.294 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -54.9 | -45.9 | 178.8 | -175.7 | 177.2 | -176.3 | 153 | 7.3 | 112.7 | R66 W76 G805 A806 M807 | R66-R803 PolarHBondContact O-NH2 3.46Å; W76-R803 HydrophobicContact CD2-CB 3.9Å; W76-R803 HydrophobicContact CD2-CG 4.42Å; W76-R803 HydrophobicContact CE3-CB 4.01Å; W76-R803 HydrophobicContact CE3-CG 4.04Å; W76-R803 HydrophobicContact CG-CB 4.27Å; W76-R803 HydrophobicContact CH2-CG 4.46Å; W76-R803 HydrophobicContact CZ3-CB 4.4Å; W76-R803 HydrophobicContact CZ3-CG 4.05Å; R803-G805 PolarHBondContact O-N 2.9Å; R803-A806 PolarHBondContact O-N 3.29Å; R803-M807 WeakPolarHBondContact O-CB 3.44Å; R803-M807 VanDerWaalsContact O-CG 3.3Å; R803-M807 WeakPolarHBondContact O-CG 3.37Å; R803-M807 PolarHBondContact O-N 2.9Å |
| 804 | P | 83.6 | Confident | 87.6 | Confident | 53 Ų | 53 | 18.2 Ų | 18.2 | 34% | 0.344 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -53.6 | -45.1 | 168.9 | -28.6 | 33.1 | 0 | 0 | 0 | 114.4 | S802 M807 L808 L845 L1143 | S802-P804 VanDerWaalsContact OG-CD 3.3Å; S802-P804 WeakPolarHBondContact OG-CD 3.35Å; P804-M807 PolarHBondContact O-N 2.87Å; P804-L808 PolarHBondContact O-N 3.14Å; P804-L845 HydrophobicContact CB-CD2 3.71Å; P804-L1143 HydrophobicContact CB-CD2 4.33Å |
| 805 | G | 88.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S802 R803 M807 L808 I809 | S802-G805 WeakPolarHBondContact O-CA 3.42Å; S802-G805 PolarHBondContact O-N 3.32Å; S802-G805 PolarHBondContact OG-N 3.13Å; R803-G805 PolarHBondContact O-N 2.9Å; G805-M807 VanDerWaalsContact C-N 3.33Å; G805-M807 PolarHBondContact O-N 3.41Å; G805-L808 WeakPolarHBondContact O-CB 3.39Å; G805-L808 PolarHBondContact O-N 3.42Å; G805-I809 WeakPolarHBondContact O-CG1 3.37Å; G805-I809 PolarHBondContact O-N 3.35Å |
| 806 | A | 87.9 | Confident | 87.4 | Confident | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W76 P798 S802 R803 I809 R810 | W76-A806 HydrophobicContact CZ2-CB 4Å; P798-A806 HydrophobicContact CB-CB 4.09Å; S802-A806 PolarHBondContact O-N 2.93Å; R803-A806 PolarHBondContact O-N 3.29Å; A806-I809 PolarHBondContact O-N 3.27Å; A806-R810 PolarHBondContact O-N 2.92Å |
| 807 | M | 83.9 | Confident | 87 | Confident | 33 Ų | 33 | 17 Ų | 17 | 16% | 0.163 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.7 | -38.5 | 174.7 | -71.9 | -59.4 | 113 | 0 | 0 | 112.2 | R803 P804 G805 R810 L811 | R803-M807 WeakPolarHBondContact O-CB 3.44Å; R803-M807 VanDerWaalsContact O-CG 3.3Å; R803-M807 WeakPolarHBondContact O-CG 3.37Å; R803-M807 PolarHBondContact O-N 2.9Å; P804-M807 PolarHBondContact O-N 2.87Å; G805-M807 VanDerWaalsContact C-N 3.33Å; G805-M807 PolarHBondContact O-N 3.41Å; M807-R810 WeakPolarHBondContact O-CB 3.34Å; M807-R810 PolarHBondContact O-N 2.98Å; M807-L811 WeakPolarHBondContact O-CG 3.32Å; M807-L811 PolarHBondContact O-N 2.82Å |
| 808 | L | 87.6 | Confident | 86.6 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 174.5 | 177.5 | 61.9 | 0 | 0 | 0 | 111.1 | P804 G805 R810 L811 L812 V840 L845 V853 L1143 C1144 | P804-L808 PolarHBondContact O-N 3.14Å; G805-L808 WeakPolarHBondContact O-CB 3.39Å; G805-L808 PolarHBondContact O-N 3.42Å; L808-R810 VanDerWaalsContact C-N 3.28Å; L808-R810 PolarHBondContact O-N 3.08Å; L808-L811 PolarHBondContact O-N 3.06Å; L808-L812 HydrophobicContact CD1-CD1 4.04Å; L808-L812 HydrophobicContact CD1-CG 4.04Å; L808-L812 HydrophobicContact CG-CD1 3.86Å; L808-L812 HydrophobicContact CG-CG 4.32Å; L808-L812 WeakPolarHBondContact O-CB 3.47Å; L808-L812 VanDerWaalsContact O-CG 3.29Å; L808-L812 WeakPolarHBondContact O-CG 3.23Å; L808-L812 PolarHBondContact O-N 2.66Å; L808-V840 HydrophobicContact CD2-CG1 4.48Å; L808-V840 HydrophobicContact CD2-CG2 4.33Å; L808-L845 HydrophobicContact CB-CD1 4.3Å; L808-L845 HydrophobicContact CD2-CD1 3.46Å; L808-L845 VanDerWaalsContact CD2-CD1 3.46Å; L808-L845 HydrophobicContact CD2-CG 4.34Å; L808-V853 HydrophobicContact CD2-CG1 4.38Å; L808-L1143 HydrophobicContact CB-CD2 4.17Å; L808-L1143 HydrophobicContact CD1-CB 4.46Å; L808-C1144 HydrophobicContact CD1-CB 3.73Å |
| 809 | I | 90.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -54.6 | -48.3 | 175.3 | -65.7 | 169.8 | 0 | 0 | 0 | 110.1 | F796 G805 A806 L811 L812 L813 V853 Q856 L857 I860 F885 | F796-I809 HydrophobicContact CE2-CG2 4.11Å; F796-I809 HydrophobicContact CZ-CG2 4.32Å; G805-I809 WeakPolarHBondContact O-CG1 3.37Å; G805-I809 PolarHBondContact O-N 3.35Å; A806-I809 PolarHBondContact O-N 3.27Å; I809-L811 PolarHBondContact O-N 3.13Å; I809-L812 PolarHBondContact O-N 3.2Å; I809-L813 HydrophobicContact CG2-CD1 3.83Å; I809-L813 HydrophobicContact CG2-CG 4.36Å; I809-L813 VanDerWaalsContact O-CG 3.29Å; I809-L813 WeakPolarHBondContact O-CG 3.38Å; I809-L813 PolarHBondContact O-N 2.76Å; I809-V853 HydrophobicContact CD1-CG1 4.29Å; I809-V853 HydrophobicContact CG1-CG1 3.72Å; I809-V853 HydrophobicContact CG1-CG2 4.48Å; I809-Q856 HydrophobicContact CD1-CB 3.85Å; I809-L857 HydrophobicContact CG1-CD2 4.4Å; I809-L857 HydrophobicContact CG2-CD2 4.03Å; I809-I860 HydrophobicContact CG2-CD1 4.4Å; I809-F885 HydrophobicContact CB-CZ 4.18Å; I809-F885 HydrophobicContact CG2-CE2 4.33Å; I809-F885 HydrophobicContact CG2-CZ 3.83Å |
| 810 | R | 89.3 | Confident | 85.3 | Confident | 19 Ų | 19 | 22.9 Ų | 22.9 | 7% | 0.072 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 179.4 | -172.5 | -177.6 | 178.9 | 112.3 | -12.5 | 111.7 | A806 M807 L808 L813 L814 V881 F885 D887 | A806-R810 PolarHBondContact O-N 2.92Å; M807-R810 WeakPolarHBondContact O-CB 3.34Å; M807-R810 PolarHBondContact O-N 2.98Å; L808-R810 VanDerWaalsContact C-N 3.28Å; L808-R810 PolarHBondContact O-N 3.08Å; R810-L813 PolarHBondContact O-N 3.39Å; R810-L814 HydrophobicContact CG-CD1 4.18Å; R810-L814 VanDerWaalsContact O-CG 3.32Å; R810-L814 WeakPolarHBondContact O-CG 3.28Å; R810-L814 PolarHBondContact O-N 3.17Å; R810-V881 HydrophobicContact CG-CG1 3.92Å; R810-F885 HydrophobicContact CB-CE1 4.08Å; R810-F885 HydrophobicContact CB-CE2 4.12Å; R810-F885 HydrophobicContact CB-CZ 3.67Å; R810-F885 HydrophobicContact CG-CE2 4.41Å; R810-F885 HydrophobicContact CG-CZ 4.37Å; R810-D887 IonicContact CZ-OD2 3.08Å; R810-D887 IonicContact NH1-OD2 3.72Å; R810-D887 PolarHBondContact NH1-OD2 3.39Å; R810-D887 IonicContact NH2-OD2 2.98Å; R810-D887 PolarHBondContact NH2-OD2 2.85Å |
| 811 | L | 86.5 | Confident | 83.9 | Confident | 13 Ų | 13 | 29.9 Ų | 29.9 | 7% | 0.068 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | -179.8 | -72.8 | 171.5 | 0 | 0 | 0 | 112 | M807 L808 I809 L814 N815 P1104 L1147 | M807-L811 WeakPolarHBondContact O-CG 3.32Å; M807-L811 PolarHBondContact O-N 2.82Å; L808-L811 PolarHBondContact O-N 3.06Å; I809-L811 PolarHBondContact O-N 3.13Å; L811-L814 PolarHBondContact O-N 3.12Å; L811-N815 PolarHBondContact O-N 3.18Å; L811-N815 PolarHBondContact O-ND2 3.1Å; L811-P1104 HydrophobicContact CD2-CB 4.11Å; L811-P1104 HydrophobicContact CD2-CG 4.29Å; L811-L1147 HydrophobicContact CB-CD1 4.29Å |
| 812 | L | 89.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 176.9 | -73.6 | 169.8 | 0 | 0 | 0 | 111.4 | L808 I809 L814 N815 L816 L836 A839 V840 L857 L1147 | L808-L812 HydrophobicContact CD1-CD1 4.04Å; L808-L812 HydrophobicContact CD1-CG 4.04Å; L808-L812 HydrophobicContact CG-CD1 3.86Å; L808-L812 HydrophobicContact CG-CG 4.32Å; L808-L812 WeakPolarHBondContact O-CB 3.47Å; L808-L812 VanDerWaalsContact O-CG 3.29Å; L808-L812 WeakPolarHBondContact O-CG 3.23Å; L808-L812 PolarHBondContact O-N 2.66Å; I809-L812 PolarHBondContact O-N 3.2Å; L812-L814 PolarHBondContact O-N 2.83Å; L812-N815 CarbonylContact O-C 3.51Å; L812-N815 PolarHBondContact O-N 2.88Å; L812-N815 VanDerWaalsContact O-N 3.1Å; L812-L816 PolarHBondContact O-N 3.01Å; L812-L836 HydrophobicContact CB-CD2 3.66Å; L812-L836 HydrophobicContact CD1-CD2 4.38Å; L812-L836 HydrophobicContact CD2-CD2 4.26Å; L812-L836 HydrophobicContact CG-CD2 4.32Å; L812-A839 HydrophobicContact CD2-CB 3.55Å; L812-V840 HydrophobicContact CD1-CG2 3.53Å; L812-L857 HydrophobicContact CD1-CD1 4.44Å; L812-L1147 HydrophobicContact CD2-CD1 3.91Å; L812-L1147 HydrophobicContact CD2-CD2 4.2Å; L812-L1147 HydrophobicContact CD2-CG 4.18Å; L812-L1147 HydrophobicContact CG-CD1 4.4Å |
| 813 | L | 89.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -40.5 | 178.6 | -67.6 | 171.2 | 0 | 0 | 0 | 112.6 | I809 R810 N815 L816 I860 L865 I868 V881 L884 F885 | I809-L813 HydrophobicContact CG2-CD1 3.83Å; I809-L813 HydrophobicContact CG2-CG 4.36Å; I809-L813 VanDerWaalsContact O-CG 3.29Å; I809-L813 WeakPolarHBondContact O-CG 3.38Å; I809-L813 PolarHBondContact O-N 2.76Å; R810-L813 PolarHBondContact O-N 3.39Å; L813-N815 PolarHBondContact O-N 3.05Å; L813-L816 HydrophobicContact CD2-CD2 4.42Å; L813-L816 VanDerWaalsContact O-CB 3.27Å; L813-L816 WeakPolarHBondContact O-CB 3.24Å; L813-L816 PolarHBondContact O-N 2.97Å; L813-I860 HydrophobicContact CD1-CD1 3.9Å; L813-I860 HydrophobicContact CD2-CD1 3.89Å; L813-I860 HydrophobicContact CG-CD1 4.37Å; L813-L865 HydrophobicContact CD2-CD2 3.46Å; L813-L865 VanDerWaalsContact CD2-CD2 3.46Å; L813-I868 HydrophobicContact CD2-CD1 4.38Å; L813-I868 VanDerWaalsContact O-CG2 3.31Å; L813-I868 WeakPolarHBondContact O-CG2 3.45Å; L813-V881 HydrophobicContact CB-CG2 3.87Å; L813-L884 HydrophobicContact CD1-CD2 3.71Å; L813-F885 HydrophobicContact CD1-CE2 3.93Å |
| 814 | L | 88.2 | Confident | 79.1 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.1 | -22.1 | 176.3 | -71.6 | 174.2 | 0 | 0 | 0 | 113.3 | R810 L811 L812 R877 N878 V881 | R810-L814 HydrophobicContact CG-CD1 4.18Å; R810-L814 VanDerWaalsContact O-CG 3.32Å; R810-L814 WeakPolarHBondContact O-CG 3.28Å; R810-L814 PolarHBondContact O-N 3.17Å; L811-L814 PolarHBondContact O-N 3.12Å; L812-L814 PolarHBondContact O-N 2.83Å; L814-R877 WeakPolarHBondContact O-CD 3.37Å; L814-R877 PolarHBondContact O-NE 2.99Å; L814-N878 HydrophobicContact CD2-CB 4.33Å; L814-N878 WeakPolarHBondContact CD2-OD1 3.45Å; L814-V881 HydrophobicContact CD2-CB 3.94Å; L814-V881 HydrophobicContact CD2-CG1 4.21Å; L814-V881 HydrophobicContact CD2-CG2 3.85Å; L814-V881 HydrophobicContact CG-CB 4.49Å; L814-V881 HydrophobicContact CG-CG1 4.27Å; L814-V881 HydrophobicContact CG-CG2 4.31Å |
| 815 | N | 86.1 | Confident | 77.5 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 3% | 0.032 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 5.5 | 177.2 | -68.1 | -82.2 | 0 | 0 | 0 | 113.1 | L811 L812 L813 Y817 R818 L1147 | L811-N815 PolarHBondContact O-N 3.18Å; L811-N815 PolarHBondContact O-ND2 3.1Å; L812-N815 CarbonylContact O-C 3.51Å; L812-N815 PolarHBondContact O-N 2.88Å; L812-N815 VanDerWaalsContact O-N 3.1Å; L813-N815 PolarHBondContact O-N 3.05Å; N815-Y817 PolarHBondContact O-N 3.05Å; N815-Y817 VanDerWaalsContact O-N 3.14Å; N815-R818 WeakPolarHBondContact O-CB 3.46Å; N815-R818 PolarHBondContact O-N 2.99Å; N815-R818 PolarHBondContact OD1-NH2 2.99Å; N815-L1147 HydrophobicContact CB-CD2 3.7Å |
| 816 | L | 86.3 | Confident | 75.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -58.8 | -33.2 | -172.5 | -171.5 | 61.5 | 0 | 0 | 0 | 113.1 | L812 L813 R818 F819 L832 L836 L865 I868 A869 | L812-L816 PolarHBondContact O-N 3.01Å; L813-L816 HydrophobicContact CD2-CD2 4.42Å; L813-L816 VanDerWaalsContact O-CB 3.27Å; L813-L816 WeakPolarHBondContact O-CB 3.24Å; L813-L816 PolarHBondContact O-N 2.97Å; L816-R818 PolarHBondContact O-N 2.89Å; L816-R818 VanDerWaalsContact O-N 3.08Å; L816-F819 HydrophobicContact CD1-CD2 4.18Å; L816-F819 PolarHBondContact O-N 3.49Å; L816-L832 HydrophobicContact CD1-CB 4.48Å; L816-L832 HydrophobicContact CD1-CD2 3.93Å; L816-L832 HydrophobicContact CG-CD2 4.18Å; L816-L836 HydrophobicContact CD1-CD1 3.73Å; L816-L836 HydrophobicContact CD1-CD2 3.88Å; L816-L836 HydrophobicContact CD1-CG 3.77Å; L816-L865 HydrophobicContact CD2-CB 4.45Å; L816-L865 HydrophobicContact CD2-CD2 4.03Å; L816-L865 WeakPolarHBondContact CD2-O 3.38Å; L816-I868 HydrophobicContact CB-CG2 4.22Å; L816-I868 HydrophobicContact CD2-CB 4.26Å; L816-I868 HydrophobicContact CD2-CG2 4.04Å; L816-A869 HydrophobicContact CD2-CB 3.9Å; L816-A869 HydrophobicContact CG-CB 3.91Å |
| 817 | Y | 82.5 | Confident | 75 | Confident | 50 Ų | 50 | 65 Ų | 65 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -54.8 | -27 | 177.7 | 77.6 | -80 | 0 | 0 | 0 | 113.7 | N815 F819 A820 R877 E1111 | N815-Y817 PolarHBondContact O-N 3.05Å; N815-Y817 VanDerWaalsContact O-N 3.14Å; Y817-F819 PolarHBondContact O-N 3.02Å; Y817-A820 PolarHBondContact O-N 2.79Å; Y817-R877 VanDerWaalsContact CE1-NH2 3.3Å; Y817-E1111 PolarHBondContact OH-OE1 2.81Å |
| 818 | R | 81.2 | Confident | 74.6 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -67.7 | -25.1 | 178.2 | -62 | -174.3 | -177 | 172.8 | 6.8 | 112.6 | N815 L816 | N815-R818 WeakPolarHBondContact O-CB 3.46Å; N815-R818 PolarHBondContact O-N 2.99Å; N815-R818 PolarHBondContact OD1-NH2 2.99Å; L816-R818 PolarHBondContact O-N 2.89Å; L816-R818 VanDerWaalsContact O-N 3.08Å |
| 819 | F | 75.3 | Confident | 74.4 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 20% | 0.197 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -90.1 | -6.8 | 179.2 | -54.5 | -71.5 | 0 | 0 | 0 | 113.1 | L816 Y817 L832 L1147 | L816-F819 HydrophobicContact CD1-CD2 4.18Å; L816-F819 PolarHBondContact O-N 3.49Å; Y817-F819 PolarHBondContact O-N 3.02Å; F819-L832 HydrophobicContact CB-CD2 4.05Å; F819-L1147 HydrophobicContact CZ-CD2 4.5Å |
| 820 | A | 69.4 | Low | 74.1 | Confident | 23 Ų | 23 | 73.1 Ų | 73.1 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | trans | -82.6 | -9.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y817 L822 A869 | Y817-A820 PolarHBondContact O-N 2.79Å; A820-L822 PolarHBondContact O-N 3.5Å; A820-A869 HydrophobicContact CB-CB 4.25Å | ||
| 821 | H | 60.6 | Low | 73.8 | Confident | 161 Ų | 161 | 75.3 Ų | 75.3 | 75% | 0.745 | 36% | 0.355 | S | S | * | . | trans | -85.4 | 22.5 | -165.3 | -84.3 | -59.8 | 0 | 0 | 0 | 116.8 | ||||
| 822 | L | 51.9 | Low | 73.8 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -131.6 | 119.6 | -172.5 | -75.7 | 149.9 | 0 | 0 | 0 | 114 | A820 | A820-L822 PolarHBondContact O-N 3.5Š|
| 823 | N | 49 | Very low | 73.7 | Confident | 135 Ų | 135 | 75.4 Ų | 75.4 | 72% | 0.722 | 36% | 0.355 | S | S | * | . | trans | 47.5 | 125.4 | 164.6 | -65.7 | -11.6 | 0 | 0 | 0 | 120.9 | E825 T826 | N823-E825 PolarHBondContact O-N 2.8Å; N823-E825 VanDerWaalsContact O-N 3.08Å; N823-T826 PolarHBondContact O-OG1 3.24Å | ||
| 824 | E | 53.6 | Low | 73.6 | Confident | 208 Ų | 208 | 80.3 Ų | 80.3 | 97% | 0.972 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -7.4 | -179.8 | -65.9 | -178.3 | 159.1 | 0 | 0 | 115.7 | ||
| 825 | E | 49.3 | Very low | 73.5 | Confident | 194 Ų | 194 | 80.8 Ų | 80.8 | 91% | 0.907 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -9.6 | -172.7 | -68.2 | -172 | 159.6 | 0 | 0 | 114.8 | N823 | N823-E825 PolarHBondContact O-N 2.8Å; N823-E825 VanDerWaalsContact O-N 3.08Å |
| 826 | T | 56.2 | Low | 73.7 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -102.7 | 143 | -176 | 13.3 | 0 | 0 | 0 | 0 | 112.6 | N823 L828 | N823-T826 PolarHBondContact O-OG1 3.24Å; T826-L828 PolarHBondContact O-N 3.33Å |
| 827 | R | 67.3 | Low | 73.9 | Confident | 184 Ų | 184 | 81.2 Ų | 81.2 | 69% | 0.694 | 39% | 0.389 | S | S | * | . | trans | -59.9 | 98.5 | 169 | -78.6 | -177.7 | 174.3 | 176.5 | -2.1 | 109 | Y829 E830 H831 | R827-Y829 PolarHBondContact O-N 2.88Å; R827-E830 HydrophobicContact CB-CB 4.46Å; R827-E830 HydrophobicContact CB-CG 4.3Å; R827-E830 VanDerWaalsContact CD-OE1 3.24Å; R827-E830 WeakPolarHBondContact CD-OE1 3.33Å; R827-E830 IonicContact CZ-OE1 3.89Å; R827-E830 IonicContact NH1-OE1 3.83Å; R827-E830 PolarHBondContact NH1-OE1 2.93Å; R827-E830 PolarHBondContact O-N 3.02Å; R827-H831 PolarHBondContact O-N 2.85Å | ||
| 828 | L | 77 | Confident | 74.2 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 31% | 0.309 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -45.9 | -41.8 | -172.2 | -164 | 92.3 | 0 | 0 | 0 | 112.5 | T826 L832 V866 | T826-L828 PolarHBondContact O-N 3.33Å; L828-L832 HydrophobicContact CD2-CD1 3.94Å; L828-L832 HydrophobicContact CG-CD1 4Å; L828-L832 HydrophobicContact CG-CG 4.46Å; L828-L832 WeakPolarHBondContact O-CB 3.46Å; L828-L832 WeakPolarHBondContact O-CG 3.32Å; L828-L832 PolarHBondContact O-N 3.36Å; L828-V866 HydrophobicContact CD2-CG1 3.97Å; L828-V866 HydrophobicContact CD2-CG2 4.21Å |
| 829 | Y | 82.3 | Confident | 74.6 | Confident | 46 Ų | 46 | 78.4 Ų | 78.4 | 18% | 0.18 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 178.3 | 174.4 | -102.4 | 0 | 0 | 0 | 114.3 | R827 H831 L832 L833 E862 L865 | R827-Y829 PolarHBondContact O-N 2.88Å; Y829-H831 VanDerWaalsContact C-N 3.32Å; Y829-H831 PolarHBondContact O-N 2.92Å; Y829-L832 PolarHBondContact O-N 2.88Å; Y829-L833 HydrophobicContact CE1-CD2 4.17Å; Y829-L833 WeakPolarHBondContact O-CB 3.44Å; Y829-L833 PolarHBondContact O-N 3.39Å; Y829-E862 VanDerWaalsContact CD2-CA 3.5Å; Y829-E862 HydrophobicContact CD2-CB 3.64Å; Y829-E862 HydrophobicContact CD2-CG 3.77Å; Y829-E862 HydrophobicContact CE2-CB 3.87Å; Y829-E862 HydrophobicContact CG-CB 4.08Å; Y829-E862 HydrophobicContact CG-CG 3.87Å; Y829-L865 HydrophobicContact CD2-CD1 4.29Å; Y829-L865 HydrophobicContact CE2-CD1 3.82Å |
| 830 | E | 83.8 | Confident | 75.3 | Confident | 99 Ų | 99 | 76.2 Ų | 76.2 | 46% | 0.463 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | -176.3 | -68.8 | 174.3 | -167.9 | 0 | 0 | 110 | R827 L833 D834 | R827-E830 HydrophobicContact CB-CB 4.46Å; R827-E830 HydrophobicContact CB-CG 4.3Å; R827-E830 VanDerWaalsContact CD-OE1 3.24Å; R827-E830 WeakPolarHBondContact CD-OE1 3.33Å; R827-E830 IonicContact CZ-OE1 3.89Å; R827-E830 IonicContact NH1-OE1 3.83Å; R827-E830 PolarHBondContact NH1-OE1 2.93Å; R827-E830 PolarHBondContact O-N 3.02Å; E830-L833 PolarHBondContact O-N 2.94Å; E830-D834 PolarHBondContact O-N 3.49Å |
| 831 | H | 84.2 | Confident | 76.2 | Confident | 65 Ų | 65 | 82.5 Ų | 82.5 | 30% | 0.301 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 176 | 178.8 | -75.5 | 0 | 0 | 0 | 113 | R827 Y829 L833 D834 S835 | R827-H831 PolarHBondContact O-N 2.85Å; Y829-H831 VanDerWaalsContact C-N 3.32Å; Y829-H831 PolarHBondContact O-N 2.92Å; H831-L833 VanDerWaalsContact C-N 3.29Å; H831-L833 PolarHBondContact O-N 3.34Å; H831-D834 PolarHBondContact O-N 2.84Å; H831-S835 PolarHBondContact CE1-OG 3.37Å; H831-S835 WeakPolarHBondContact O-CB 3.29Å; H831-S835 PolarHBondContact O-N 2.76Å; H831-S835 PolarHBondContact O-OG 3.23Å |
| 832 | L | 85.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 177.8 | -73.5 | 170.3 | 0 | 0 | 0 | 110.8 | L816 F819 L828 Y829 S835 L836 A869 | L816-L832 HydrophobicContact CD1-CB 4.48Å; L816-L832 HydrophobicContact CD1-CD2 3.93Å; L816-L832 HydrophobicContact CG-CD2 4.18Å; F819-L832 HydrophobicContact CB-CD2 4.05Å; L828-L832 HydrophobicContact CD2-CD1 3.94Å; L828-L832 HydrophobicContact CG-CD1 4Å; L828-L832 HydrophobicContact CG-CG 4.46Å; L828-L832 WeakPolarHBondContact O-CB 3.46Å; L828-L832 WeakPolarHBondContact O-CG 3.32Å; L828-L832 PolarHBondContact O-N 3.36Å; Y829-L832 PolarHBondContact O-N 2.88Å; L832-S835 PolarHBondContact O-N 3.44Å; L832-L836 WeakPolarHBondContact O-CB 3.21Å; L832-L836 VanDerWaalsContact O-CG 3.25Å; L832-L836 WeakPolarHBondContact O-CG 3.5Å; L832-L836 PolarHBondContact O-N 2.78Å; L832-A869 HydrophobicContact CD1-CB 3.6Å; L832-A869 HydrophobicContact CD2-CB 3.97Å; L832-A869 HydrophobicContact CG-CB 4.46Å |
| 833 | L | 87.6 | Confident | 79.1 | Confident | 14 Ų | 14 | 75.3 Ų | 75.3 | 7% | 0.073 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 179.7 | -167.9 | 65.2 | 0 | 0 | 0 | 111.7 | Y829 E830 H831 S835 L836 V837 L857 L865 | Y829-L833 HydrophobicContact CE1-CD2 4.17Å; Y829-L833 WeakPolarHBondContact O-CB 3.44Å; Y829-L833 PolarHBondContact O-N 3.39Å; E830-L833 PolarHBondContact O-N 2.94Å; H831-L833 VanDerWaalsContact C-N 3.29Å; H831-L833 PolarHBondContact O-N 3.34Å; L833-S835 VanDerWaalsContact C-N 3.34Å; L833-S835 PolarHBondContact O-N 2.91Å; L833-L836 WeakPolarHBondContact O-CB 3.37Å; L833-L836 PolarHBondContact O-N 2.85Å; L833-V837 VanDerWaalsContact O-CG2 3.28Å; L833-V837 WeakPolarHBondContact O-CG2 3.44Å; L833-V837 PolarHBondContact O-N 3.19Å; L833-L857 HydrophobicContact CD1-CB 4.37Å; L833-L865 HydrophobicContact CD1-CD1 4.38Å |
| 834 | D | 87.8 | Confident | 80.8 | Confident | 104 Ų | 104 | 73 Ų | 73 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.8 | -45.1 | 176.1 | -77.8 | -20.6 | 0 | 0 | 0 | 111.5 | E830 H831 L836 V837 D838 | E830-D834 PolarHBondContact O-N 3.49Å; H831-D834 PolarHBondContact O-N 2.84Å; D834-L836 VanDerWaalsContact C-N 3.32Å; D834-L836 PolarHBondContact O-N 3.04Å; D834-V837 PolarHBondContact O-N 3.31Å; D834-D838 PolarHBondContact O-N 3.2Å |
| 835 | S | 87.6 | Confident | 82.4 | Confident | 24 Ų | 24 | 64 Ų | 64 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 112 | H831 L832 L833 A839 | H831-S835 PolarHBondContact CE1-OG 3.37Å; H831-S835 WeakPolarHBondContact O-CB 3.29Å; H831-S835 PolarHBondContact O-N 2.76Å; H831-S835 PolarHBondContact O-OG 3.23Å; L832-S835 PolarHBondContact O-N 3.44Å; L833-S835 VanDerWaalsContact C-N 3.34Å; L833-S835 PolarHBondContact O-N 2.91Å; S835-A839 WeakPolarHBondContact O-CB 3.35Å; S835-A839 PolarHBondContact O-N 3.47Å |
| 836 | L | 89.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 175.6 | -76.9 | 170.6 | 0 | 0 | 0 | 111.8 | L812 L816 L832 L833 D834 A839 V840 L857 L865 | L812-L836 HydrophobicContact CB-CD2 3.66Å; L812-L836 HydrophobicContact CD1-CD2 4.38Å; L812-L836 HydrophobicContact CD2-CD2 4.26Å; L812-L836 HydrophobicContact CG-CD2 4.32Å; L816-L836 HydrophobicContact CD1-CD1 3.73Å; L816-L836 HydrophobicContact CD1-CD2 3.88Å; L816-L836 HydrophobicContact CD1-CG 3.77Å; L832-L836 WeakPolarHBondContact O-CB 3.21Å; L832-L836 VanDerWaalsContact O-CG 3.25Å; L832-L836 WeakPolarHBondContact O-CG 3.5Å; L832-L836 PolarHBondContact O-N 2.78Å; L833-L836 WeakPolarHBondContact O-CB 3.37Å; L833-L836 PolarHBondContact O-N 2.85Å; D834-L836 VanDerWaalsContact C-N 3.32Å; D834-L836 PolarHBondContact O-N 3.04Å; L836-A839 WeakPolarHBondContact O-CB 3.47Å; L836-A839 PolarHBondContact O-N 2.9Å; L836-V840 VanDerWaalsContact O-CG2 3.31Å; L836-V840 WeakPolarHBondContact O-CG2 3.31Å; L836-V840 PolarHBondContact O-N 3.21Å; L836-L857 HydrophobicContact CB-CD1 4.19Å; L836-L857 HydrophobicContact CD1-CD2 4.38Å; L836-L865 HydrophobicContact CD1-CD1 4.46Å; L836-L865 HydrophobicContact CD1-CD2 4.31Å |
| 837 | V | 90.7 | Very high | 85.9 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 178.6 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | L833 D834 V840 R841 V854 | L833-V837 VanDerWaalsContact O-CG2 3.28Å; L833-V837 WeakPolarHBondContact O-CG2 3.44Å; L833-V837 PolarHBondContact O-N 3.19Å; D834-V837 PolarHBondContact O-N 3.31Å; V837-V840 PolarHBondContact O-N 3.16Å; V837-R841 WeakPolarHBondContact O-CG 3.49Å; V837-R841 PolarHBondContact O-N 3.38Å; V837-V854 HydrophobicContact CG1-CG2 4.24Å; V837-V854 HydrophobicContact CG2-CG1 3.99Å; V837-V854 HydrophobicContact CG2-CG2 4.33Å |
| 838 | D | 89 | Confident | 87 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.4 | -77.2 | -20.1 | 0 | 0 | 0 | 112.2 | D834 V840 R841 L842 | D834-D838 PolarHBondContact O-N 3.2Å; D838-V840 VanDerWaalsContact C-N 3.33Å; D838-V840 PolarHBondContact O-N 3.43Å; D838-R841 WeakPolarHBondContact O-CB 3.34Å; D838-R841 PolarHBondContact O-N 3.44Å; D838-R841 IonicContact OD1-CZ 2.96Å; D838-R841 IonicContact OD1-NE 3.3Å; D838-R841 IonicContact OD1-NH1 3.66Å; D838-R841 PolarHBondContact OD1-NH1 2.93Å; D838-L842 WeakPolarHBondContact O-CG 3.17Å; D838-L842 PolarHBondContact O-N 2.88Å |
| 839 | A | 88.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L812 S835 L836 R841 L842 S843 C1144 S1146 | L812-A839 HydrophobicContact CD2-CB 3.55Å; S835-A839 WeakPolarHBondContact O-CB 3.35Å; S835-A839 PolarHBondContact O-N 3.47Å; L836-A839 WeakPolarHBondContact O-CB 3.47Å; L836-A839 PolarHBondContact O-N 2.9Å; A839-R841 PolarHBondContact O-N 3.32Å; A839-L842 PolarHBondContact O-N 3.14Å; A839-S843 PolarHBondContact O-N 3.06Å; A839-C1144 PolarHBondContact O-SG 3.22Å; A839-S1146 VanDerWaalsContact CB-OG 3.24Å; A839-S1146 WeakPolarHBondContact CB-OG 3.26Å |
| 840 | V | 90.1 | Very high | 88 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -37.5 | 175.8 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | L808 L812 L836 V837 D838 L842 S843 R850 V853 V854 L857 | L808-V840 HydrophobicContact CD2-CG1 4.48Å; L808-V840 HydrophobicContact CD2-CG2 4.33Å; L812-V840 HydrophobicContact CD1-CG2 3.53Å; L836-V840 VanDerWaalsContact O-CG2 3.31Å; L836-V840 WeakPolarHBondContact O-CG2 3.31Å; L836-V840 PolarHBondContact O-N 3.21Å; V837-V840 PolarHBondContact O-N 3.16Å; D838-V840 VanDerWaalsContact C-N 3.33Å; D838-V840 PolarHBondContact O-N 3.43Å; V840-L842 PolarHBondContact O-N 3.27Å; V840-S843 VanDerWaalsContact O-CB 3.23Å; V840-S843 WeakPolarHBondContact O-CB 3.37Å; V840-S843 PolarHBondContact O-N 3.43Å; V840-S843 PolarHBondContact O-OG 3.48Å; V840-R850 HydrophobicContact CG1-CB 4.06Å; V840-R850 HydrophobicContact CG1-CG 4.03Å; V840-R850 WeakPolarHBondContact O-CD 3.37Å; V840-V853 HydrophobicContact CB-CG1 4.43Å; V840-V853 HydrophobicContact CG1-CB 4.15Å; V840-V853 HydrophobicContact CG1-CG1 3.85Å; V840-V853 HydrophobicContact CG2-CG1 3.6Å; V840-V854 HydrophobicContact CB-CG2 4.18Å; V840-V854 HydrophobicContact CG1-CG2 3.89Å; V840-L857 HydrophobicContact CG2-CD1 3.71Å |
| 841 | R | 89.2 | Confident | 88.5 | Confident | 154 Ų | 154 | 55.1 Ų | 55.1 | 58% | 0.581 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.5 | -35.4 | 176.6 | -73.3 | 171.2 | 179.1 | 165.6 | -2.2 | 112.4 | V837 D838 A839 S843 R850 | V837-R841 WeakPolarHBondContact O-CG 3.49Å; V837-R841 PolarHBondContact O-N 3.38Å; D838-R841 WeakPolarHBondContact O-CB 3.34Å; D838-R841 PolarHBondContact O-N 3.44Å; D838-R841 IonicContact OD1-CZ 2.96Å; D838-R841 IonicContact OD1-NE 3.3Å; D838-R841 IonicContact OD1-NH1 3.66Å; D838-R841 PolarHBondContact OD1-NH1 2.93Å; A839-R841 PolarHBondContact O-N 3.32Å; R841-S843 VanDerWaalsContact C-N 3.26Å; R841-S843 PolarHBondContact O-N 2.98Å; R841-R850 PolarHBondContact O-NH1 3.45Å |
| 842 | L | 86.4 | Confident | 88.8 | Confident | 106 Ų | 106 | 53.2 Ų | 53.2 | 56% | 0.555 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 5.7 | 177.6 | -62.5 | 171.4 | 0 | 0 | 0 | 113.7 | D838 A839 V840 | D838-L842 WeakPolarHBondContact O-CG 3.17Å; D838-L842 PolarHBondContact O-N 2.88Å; A839-L842 PolarHBondContact O-N 3.14Å; V840-L842 PolarHBondContact O-N 3.27Å |
| 843 | S | 86.6 | Confident | 89.2 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -78 | 159.1 | 178.9 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | A839 V840 R841 L845 R850 L1143 | A839-S843 PolarHBondContact O-N 3.06Å; V840-S843 VanDerWaalsContact O-CB 3.23Å; V840-S843 WeakPolarHBondContact O-CB 3.37Å; V840-S843 PolarHBondContact O-N 3.43Å; V840-S843 PolarHBondContact O-OG 3.48Å; R841-S843 VanDerWaalsContact C-N 3.26Å; R841-S843 PolarHBondContact O-N 2.98Å; S843-L845 PolarHBondContact O-N 2.85Å; S843-R850 WeakPolarHBondContact OG-CD 3.47Å; S843-R850 WeakPolarHBondContact OG-CG 3.38Å; S843-L1143 WeakPolarHBondContact CA-O 3.22Å; S843-L1143 WeakPolarHBondContact CB-O 3.08Å |
| 844 | S | 85 | Confident | 89.5 | Confident | 88 Ų | 88 | 54 Ų | 54 | 62% | 0.615 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -80.7 | 4.9 | 175.6 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | N1142 L1143 | S844-N1142 PolarHBondContact OG-O 3.06Å; S844-L1143 PolarHBondContact N-O 3.29Å; S844-L1143 WeakPolarHBondContact OG-CA 3.43Å |
| 845 | L | 85.8 | Confident | 89.8 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -72.3 | 151.9 | 176.6 | -61.3 | 176.9 | 0 | 0 | 0 | 111.2 | P804 L808 S843 E849 R850 V853 L1143 | P804-L845 HydrophobicContact CB-CD2 3.71Å; L808-L845 HydrophobicContact CB-CD1 4.3Å; L808-L845 HydrophobicContact CD2-CD1 3.46Å; L808-L845 VanDerWaalsContact CD2-CD1 3.46Å; L808-L845 HydrophobicContact CD2-CG 4.34Å; S843-L845 PolarHBondContact O-N 2.85Å; L845-E849 HydrophobicContact CB-CB 4.27Å; L845-E849 HydrophobicContact CB-CG 4.13Å; L845-E849 HydrophobicContact CD1-CG 3.88Å; L845-E849 HydrophobicContact CD2-CG 4.2Å; L845-E849 HydrophobicContact CG-CG 4.29Å; L845-R850 HydrophobicContact CB-CG 3.87Å; L845-R850 PolarHBondContact O-NE 3.42Å; L845-V853 HydrophobicContact CD1-CG2 4.12Å; L845-L1143 HydrophobicContact CD2-CD2 3.89Å; L845-L1143 HydrophobicContact CG-CD2 4.27Å |
| 846 | D | 89.4 | Confident | 90.1 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 48% | 0.476 | 26% | 0.258 | S | S | . | . | trans | -64.8 | 160.2 | 172.6 | 64.9 | -56.7 | 0 | 0 | 0 | 111.5 | H848 E849 R850 | D846-H848 VanDerWaalsContact C-N 3.28Å; D846-H848 PolarHBondContact O-N 3.48Å; D846-E849 PolarHBondContact O-N 3.21Å; D846-E849 WeakPolarHBondContact OD1-CB 3.38Å; D846-R850 WeakPolarHBondContact O-CG 3.27Å; D846-R850 PolarHBondContact O-N 2.72Å | ||
| 847 | E | 90.1 | Very high | 90.2 | Very high | 120 Ų | 120 | 51.8 Ų | 51.8 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.5 | -39.3 | -173.7 | -170.4 | 63.7 | -150.5 | 0 | 0 | 112.5 | R850 V851 | E847-R850 PolarHBondContact O-N 2.81Å; E847-R850 IonicContact OE2-CZ 2.82Å; E847-R850 IonicContact OE2-NE 2.88Å; E847-R850 IonicContact OE2-NH1 3.74Å; E847-R850 IonicContact OE2-NH2 2.66Å; E847-R850 PolarHBondContact OE2-NH2 2.79Å; E847-V851 WeakPolarHBondContact O-CG2 3.41Å; E847-V851 PolarHBondContact O-N 3.46Å; E847-V851 VanDerWaalsContact O-N 3.1Å |
| 848 | H | 90 | Very high | 90.3 | Very high | 124 Ų | 124 | 55.5 Ų | 55.5 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.6 | -46.6 | -178.8 | -178.9 | -92.2 | 0 | 0 | 0 | 111.5 | D846 V851 H852 | D846-H848 VanDerWaalsContact C-N 3.28Å; D846-H848 PolarHBondContact O-N 3.48Å; H848-V851 WeakPolarHBondContact O-CB 3.15Å; H848-V851 PolarHBondContact O-N 3.45Å; H848-H852 AromaticContact CE1-CE1 3.13Å; H848-H852 PolarHBondContact CE1-CE1 2.86Å; H848-H852 AromaticContact CE1-ND1 3.91Å; H848-H852 AromaticContact CE1-NE2 3.32Å; H848-H852 PolarHBondContact CE1-NE2 3.02Å; H848-H852 VanDerWaalsContact CE1-NE2 3.32Å; H848-H852 AromaticContact ND1-CE1 3.78Å; H848-H852 AromaticContact ND1-NE2 3.97Å; H848-H852 AromaticContact NE2-CE1 3.84Å; H848-H852 AromaticContact NE2-NE2 3.59Å; H848-H852 PolarHBondContact O-CD2 3.4Å; H848-H852 PolarHBondContact O-N 3.11Å; H848-H852 VanDerWaalsContact O-N 3.15Å |
| 849 | E | 89.1 | Confident | 90.4 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 11% | 0.112 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 174.9 | -172.8 | 91.2 | -130 | 0 | 0 | 112.3 | S802 L845 D846 V851 H852 V853 | S802-E849 WeakPolarHBondContact CA-OE1 3.32Å; S802-E849 VanDerWaalsContact CB-OE1 3.25Å; S802-E849 WeakPolarHBondContact CB-OE1 3.28Å; S802-E849 WeakPolarHBondContact CB-OE2 3.41Å; S802-E849 PolarHBondContact N-OE1 3.1Å; S802-E849 PolarHBondContact OG-OE1 2.85Å; S802-E849 PolarHBondContact OG-OE2 2.84Å; L845-E849 HydrophobicContact CB-CB 4.27Å; L845-E849 HydrophobicContact CB-CG 4.13Å; L845-E849 HydrophobicContact CD1-CG 3.88Å; L845-E849 HydrophobicContact CD2-CG 4.2Å; L845-E849 HydrophobicContact CG-CG 4.29Å; D846-E849 PolarHBondContact O-N 3.21Å; D846-E849 WeakPolarHBondContact OD1-CB 3.38Å; E849-V851 VanDerWaalsContact C-N 3.28Å; E849-V851 PolarHBondContact O-N 2.69Å; E849-H852 WeakPolarHBondContact O-CB 3.24Å; E849-H852 PolarHBondContact O-N 3.15Å; E849-V853 WeakPolarHBondContact O-CG2 3.49Å; E849-V853 PolarHBondContact O-N 3.39Å |
| 850 | R | 92.6 | Very high | 90.4 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 22% | 0.223 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -42.3 | 175.2 | -77 | -171.4 | -85.4 | 149 | 11.4 | 111.6 | V840 R841 S843 L845 D846 E847 H852 V853 V854 | V840-R850 HydrophobicContact CG1-CB 4.06Å; V840-R850 HydrophobicContact CG1-CG 4.03Å; V840-R850 WeakPolarHBondContact O-CD 3.37Å; R841-R850 PolarHBondContact O-NH1 3.45Å; S843-R850 WeakPolarHBondContact OG-CD 3.47Å; S843-R850 WeakPolarHBondContact OG-CG 3.38Å; L845-R850 HydrophobicContact CB-CG 3.87Å; L845-R850 PolarHBondContact O-NE 3.42Å; D846-R850 WeakPolarHBondContact O-CG 3.27Å; D846-R850 PolarHBondContact O-N 2.72Å; E847-R850 PolarHBondContact O-N 2.81Å; E847-R850 IonicContact OE2-CZ 2.82Å; E847-R850 IonicContact OE2-NE 2.88Å; E847-R850 IonicContact OE2-NH1 3.74Å; E847-R850 IonicContact OE2-NH2 2.66Å; E847-R850 PolarHBondContact OE2-NH2 2.79Å; R850-H852 VanDerWaalsContact C-N 3.34Å; R850-H852 PolarHBondContact O-N 2.81Å; R850-V853 PolarHBondContact O-N 3.47Å; R850-V854 VanDerWaalsContact O-CG2 3.32Å; R850-V854 WeakPolarHBondContact O-CG2 3.43Å; R850-V854 PolarHBondContact O-N 3.1Å |
| 851 | V | 93.3 | Very high | 90.2 | Very high | 62 Ų | 62 | 54.6 Ų | 54.6 | 38% | 0.376 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.7 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | E847 H848 E849 V854 K855 | E847-V851 WeakPolarHBondContact O-CG2 3.41Å; E847-V851 PolarHBondContact O-N 3.46Å; E847-V851 VanDerWaalsContact O-N 3.1Å; H848-V851 WeakPolarHBondContact O-CB 3.15Å; H848-V851 PolarHBondContact O-N 3.45Å; E849-V851 VanDerWaalsContact C-N 3.28Å; E849-V851 PolarHBondContact O-N 2.69Å; V851-V854 PolarHBondContact O-N 3.1Å; V851-K855 HydrophobicContact CG1-CD 4.25Å; V851-K855 WeakPolarHBondContact O-CG 3.47Å; V851-K855 PolarHBondContact O-N 2.68Å |
| 852 | H | 92.1 | Very high | 90.1 | Very high | 25 Ų | 25 | 52.9 Ų | 52.9 | 12% | 0.116 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 177.4 | -73 | -165.2 | 0 | 0 | 0 | 112 | M792 H848 E849 R850 V854 K855 Q856 | M792-H852 HydrophobicContact CE-CB 4.3Å; M792-H852 VanDerWaalsContact CE-CE1 3.42Å; M792-H852 WeakPolarHBondContact CE-CE1 3.49Å; M792-H852 VanDerWaalsContact CE-ND1 3.31Å; M792-H852 WeakPolarHBondContact CE-ND1 3.41Å; M792-H852 HydrophobicContact SD-CB 3.71Å; H848-H852 AromaticContact CE1-CE1 3.13Å; H848-H852 PolarHBondContact CE1-CE1 2.86Å; H848-H852 AromaticContact CE1-ND1 3.91Å; H848-H852 AromaticContact CE1-NE2 3.32Å; H848-H852 PolarHBondContact CE1-NE2 3.02Å; H848-H852 VanDerWaalsContact CE1-NE2 3.32Å; H848-H852 AromaticContact ND1-CE1 3.78Å; H848-H852 AromaticContact ND1-NE2 3.97Å; H848-H852 AromaticContact NE2-CE1 3.84Å; H848-H852 AromaticContact NE2-NE2 3.59Å; H848-H852 PolarHBondContact O-CD2 3.4Å; H848-H852 PolarHBondContact O-N 3.11Å; H848-H852 VanDerWaalsContact O-N 3.15Å; E849-H852 WeakPolarHBondContact O-CB 3.24Å; E849-H852 PolarHBondContact O-N 3.15Å; R850-H852 VanDerWaalsContact C-N 3.34Å; R850-H852 PolarHBondContact O-N 2.81Å; H852-V854 VanDerWaalsContact C-N 3.34Å; H852-V854 PolarHBondContact O-N 3.28Å; H852-K855 PolarHBondContact O-N 2.95Å; H852-Q856 WeakPolarHBondContact O-CG 3.42Å; H852-Q856 PolarHBondContact O-N 3.45Å |
| 853 | V | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 176.9 | 169 | 0 | 0 | 0 | 0 | 110.8 | L808 I809 V840 L845 E849 R850 K855 Q856 L857 | L808-V853 HydrophobicContact CD2-CG1 4.38Å; I809-V853 HydrophobicContact CD1-CG1 4.29Å; I809-V853 HydrophobicContact CG1-CG1 3.72Å; I809-V853 HydrophobicContact CG1-CG2 4.48Å; V840-V853 HydrophobicContact CB-CG1 4.43Å; V840-V853 HydrophobicContact CG1-CB 4.15Å; V840-V853 HydrophobicContact CG1-CG1 3.85Å; V840-V853 HydrophobicContact CG2-CG1 3.6Å; L845-V853 HydrophobicContact CD1-CG2 4.12Å; E849-V853 WeakPolarHBondContact O-CG2 3.49Å; E849-V853 PolarHBondContact O-N 3.39Å; R850-V853 PolarHBondContact O-N 3.47Å; V853-K855 PolarHBondContact O-N 2.95Å; V853-Q856 PolarHBondContact O-N 3.45Å; V853-L857 HydrophobicContact CG1-CD1 4.14Å; V853-L857 WeakPolarHBondContact O-CG 3.46Å; V853-L857 PolarHBondContact O-N 3.35Å |
| 854 | V | 94.3 | Very high | 89.9 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 177.3 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | V837 V840 R850 V851 H852 Q856 L857 H858 | V837-V854 HydrophobicContact CG1-CG2 4.24Å; V837-V854 HydrophobicContact CG2-CG1 3.99Å; V837-V854 HydrophobicContact CG2-CG2 4.33Å; V840-V854 HydrophobicContact CB-CG2 4.18Å; V840-V854 HydrophobicContact CG1-CG2 3.89Å; R850-V854 VanDerWaalsContact O-CG2 3.32Å; R850-V854 WeakPolarHBondContact O-CG2 3.43Å; R850-V854 PolarHBondContact O-N 3.1Å; V851-V854 PolarHBondContact O-N 3.1Å; H852-V854 VanDerWaalsContact C-N 3.34Å; H852-V854 PolarHBondContact O-N 3.28Å; V854-Q856 VanDerWaalsContact C-N 3.3Å; V854-Q856 PolarHBondContact O-N 3.36Å; V854-L857 PolarHBondContact O-N 2.76Å; V854-H858 PolarHBondContact O-N 2.81Å; V854-H858 PolarHBondContact O-ND1 3.03Å |
| 855 | K | 93.8 | Very high | 90.1 | Very high | 81 Ų | 81 | 47.6 Ų | 47.6 | 35% | 0.352 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.5 | -40.7 | 177.7 | -71.4 | 174 | 177.7 | 178.7 | 0 | 112 | M792 V851 H852 V853 H858 C859 | M792-K855 HydrophobicContact CB-CD 4.38Å; M792-K855 HydrophobicContact CG-CB 4.18Å; M792-K855 HydrophobicContact CG-CD 3.63Å; M792-K855 WeakPolarHBondContact O-CB 3.38Å; V851-K855 HydrophobicContact CG1-CD 4.25Å; V851-K855 WeakPolarHBondContact O-CG 3.47Å; V851-K855 PolarHBondContact O-N 2.68Å; H852-K855 PolarHBondContact O-N 2.95Å; V853-K855 PolarHBondContact O-N 2.95Å; K855-H858 PolarHBondContact O-N 3.22Å; K855-C859 PolarHBondContact O-N 3.34Å; K855-C859 PolarHBondContact O-SG 2.83Å |
| 856 | Q | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -37.5 | 177.9 | -73.3 | -63.8 | -63.3 | 0 | 0 | 112.7 | M792 L795 F796 C797 I809 H852 V853 V854 H858 C859 | M792-Q856 PolarHBondContact O-NE2 3.12Å; M792-Q856 HydrophobicContact SD-CG 4.22Å; L795-Q856 PolarHBondContact O-NE2 2.86Å; L795-Q856 VanDerWaalsContact O-NE2 3.09Å; F796-Q856 WeakPolarHBondContact CD2-O 3.32Å; C797-Q856 PolarHBondContact O-OE1 2.86Å; I809-Q856 HydrophobicContact CD1-CB 3.85Å; H852-Q856 WeakPolarHBondContact O-CG 3.42Å; H852-Q856 PolarHBondContact O-N 3.45Å; V853-Q856 PolarHBondContact O-N 3.45Å; V854-Q856 VanDerWaalsContact C-N 3.3Å; V854-Q856 PolarHBondContact O-N 3.36Å; Q856-H858 VanDerWaalsContact C-N 3.29Å; Q856-H858 PolarHBondContact O-N 3.24Å; Q856-C859 WeakPolarHBondContact O-CB 3.44Å; Q856-C859 PolarHBondContact O-N 2.84Å |
| 857 | L | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -39 | 174.3 | -72.1 | 168.5 | 0 | 0 | 0 | 112.4 | I809 L812 L833 L836 V840 V853 V854 C859 I860 | I809-L857 HydrophobicContact CG1-CD2 4.4Å; I809-L857 HydrophobicContact CG2-CD2 4.03Å; L812-L857 HydrophobicContact CD1-CD1 4.44Å; L833-L857 HydrophobicContact CD1-CB 4.37Å; L836-L857 HydrophobicContact CB-CD1 4.19Å; L836-L857 HydrophobicContact CD1-CD2 4.38Å; V840-L857 HydrophobicContact CG2-CD1 3.71Å; V853-L857 HydrophobicContact CG1-CD1 4.14Å; V853-L857 WeakPolarHBondContact O-CG 3.46Å; V853-L857 PolarHBondContact O-N 3.35Å; V854-L857 PolarHBondContact O-N 2.76Å; L857-C859 PolarHBondContact O-N 2.9Å; L857-I860 HydrophobicContact CD2-CD1 4Å; L857-I860 PolarHBondContact O-N 3.42Å |
| 858 | H | 91.7 | Very high | 89.7 | Confident | 93 Ų | 93 | 39.6 Ų | 39.6 | 43% | 0.431 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.4 | -24.7 | 174.9 | -72 | 69.7 | 0 | 0 | 0 | 112.7 | V854 K855 Q856 | V854-H858 PolarHBondContact O-N 2.81Å; V854-H858 PolarHBondContact O-ND1 3.03Å; K855-H858 PolarHBondContact O-N 3.22Å; Q856-H858 VanDerWaalsContact C-N 3.29Å; Q856-H858 PolarHBondContact O-N 3.24Å |
| 859 | C | 91.5 | Very high | 89.5 | Confident | 30 Ų | 30 | 33.9 Ų | 33.9 | 20% | 0.203 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8.5 | -177.2 | -61.8 | 0 | 0 | 0 | 0 | 114.2 | S793 F796 K855 Q856 L857 G861 | S793-C859 VanDerWaalsContact C-SG 3.51Å; F796-C859 HydrophobicContact CB-CB 4.09Å; K855-C859 PolarHBondContact O-N 3.34Å; K855-C859 PolarHBondContact O-SG 2.83Å; Q856-C859 WeakPolarHBondContact O-CB 3.44Å; Q856-C859 PolarHBondContact O-N 2.84Å; L857-C859 PolarHBondContact O-N 2.9Å; C859-G861 VanDerWaalsContact C-N 3.27Å; C859-G861 PolarHBondContact O-N 3.34Å |
| 860 | I | 88.9 | Confident | 89.2 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -67.7 | -30.4 | -178.2 | -66.1 | 172.1 | 0 | 0 | 0 | 111.8 | F796 I809 L813 L857 R864 L865 L884 | F796-I860 HydrophobicContact CD2-CD1 4.14Å; F796-I860 HydrophobicContact CD2-CG1 3.35Å; F796-I860 HydrophobicContact CE2-CD1 3.8Å; F796-I860 HydrophobicContact CE2-CG1 3.53Å; F796-I860 HydrophobicContact CG-CG1 3.99Å; F796-I860 HydrophobicContact CZ-CD1 4.46Å; F796-I860 HydrophobicContact CZ-CG1 4.3Å; I809-I860 HydrophobicContact CG2-CD1 4.4Å; L813-I860 HydrophobicContact CD1-CD1 3.9Å; L813-I860 HydrophobicContact CD2-CD1 3.89Å; L813-I860 HydrophobicContact CG-CD1 4.37Å; L857-I860 HydrophobicContact CD2-CD1 4Å; L857-I860 PolarHBondContact O-N 3.42Å; I860-R864 HydrophobicContact CG2-CB 3.81Å; I860-L865 HydrophobicContact CB-CD2 4.22Å; I860-L865 HydrophobicContact CB-CG 4.24Å; I860-L865 HydrophobicContact CD1-CD2 4.12Å; I860-L865 HydrophobicContact CG2-CD2 3.79Å; I860-L865 HydrophobicContact CG2-CG 3.89Å; I860-L884 HydrophobicContact CD1-CD2 4.3Å; I860-L884 HydrophobicContact CG1-CD2 4.35Å; I860-L884 HydrophobicContact CG2-CD1 4.47Å; I860-L884 HydrophobicContact CG2-CD2 3.93Å |
| 861 | G | 84.9 | Confident | 88.8 | Confident | 27 Ų | 27 | 35.7 Ų | 35.7 | 28% | 0.278 | 20% | 0.199 | S | C | . | . | trans | 87.5 | 153 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C859 L865 | C859-G861 VanDerWaalsContact C-N 3.27Å; C859-G861 PolarHBondContact O-N 3.34Å; G861-L865 PolarHBondContact O-N 2.96Å | ||
| 862 | E | 86.6 | Confident | 88.1 | Confident | 119 Ų | 119 | 38 Ų | 38 | 56% | 0.556 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.6 | -51.5 | -174.5 | 174.9 | 169.1 | -162.4 | 0 | 0 | 113 | Y829 R864 L865 V866 | Y829-E862 VanDerWaalsContact CD2-CA 3.5Å; Y829-E862 HydrophobicContact CD2-CB 3.64Å; Y829-E862 HydrophobicContact CD2-CG 3.77Å; Y829-E862 HydrophobicContact CE2-CB 3.87Å; Y829-E862 HydrophobicContact CG-CB 4.08Å; Y829-E862 HydrophobicContact CG-CG 3.87Å; E862-R864 VanDerWaalsContact C-N 3.26Å; E862-R864 PolarHBondContact O-N 3.19Å; E862-L865 PolarHBondContact O-N 3.21Å; E862-V866 HydrophobicContact CG-CG2 4.05Å; E862-V866 WeakPolarHBondContact O-CB 3.32Å; E862-V866 VanDerWaalsContact O-CG2 3.26Å; E862-V866 WeakPolarHBondContact O-CG2 3.3Å; E862-V866 PolarHBondContact O-N 3.32Å |
| 863 | S | 83.3 | Confident | 87.9 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -54.4 | -42.3 | -177.9 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | A867 | S863-A867 WeakPolarHBondContact O-CB 3.44Å; S863-A867 PolarHBondContact O-N 3.05Å |
| 864 | R | 86.5 | Confident | 87.8 | Confident | 38 Ų | 38 | 39.4 Ų | 39.4 | 14% | 0.143 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71 | -46.1 | 179.5 | -63.2 | -162.7 | 169.7 | 146.9 | 2 | 112.3 | E39 L406 I860 E862 A867 I868 | E39-R864 IonicContact OE1-CZ 2.87Å; E39-R864 VanDerWaalsContact OE1-CZ 3.3Å; E39-R864 IonicContact OE1-NE 3.59Å; E39-R864 IonicContact OE1-NH1 3.82Å; E39-R864 IonicContact OE1-NH2 2.77Å; E39-R864 PolarHBondContact OE1-NH2 3.15Å; E39-R864 IonicContact OE2-CZ 3.85Å; E39-R864 IonicContact OE2-NH1 3.72Å; E39-R864 PolarHBondContact OE2-NH1 3.38Å; E39-R864 IonicContact OE2-NH2 2.7Å; E39-R864 PolarHBondContact OE2-NH2 2.95Å; L406-R864 HydrophobicContact CD1-CG 4.16Å; L406-R864 HydrophobicContact CD2-CG 4.46Å; I860-R864 HydrophobicContact CG2-CB 3.81Å; E862-R864 VanDerWaalsContact C-N 3.26Å; E862-R864 PolarHBondContact O-N 3.19Å; R864-A867 PolarHBondContact O-N 2.93Å; R864-I868 WeakPolarHBondContact O-CB 3.27Å; R864-I868 WeakPolarHBondContact O-CD1 3.34Å; R864-I868 WeakPolarHBondContact O-CG1 3.12Å; R864-I868 PolarHBondContact O-N 3.4Å |
| 865 | L | 88.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 178.6 | -73.4 | -175.1 | 0 | 0 | 0 | 111.3 | L813 L816 Y829 L833 L836 I860 G861 E862 I868 A869 | L813-L865 HydrophobicContact CD2-CD2 3.46Å; L813-L865 VanDerWaalsContact CD2-CD2 3.46Å; L816-L865 HydrophobicContact CD2-CB 4.45Å; L816-L865 HydrophobicContact CD2-CD2 4.03Å; L816-L865 WeakPolarHBondContact CD2-O 3.38Å; Y829-L865 HydrophobicContact CD2-CD1 4.29Å; Y829-L865 HydrophobicContact CE2-CD1 3.82Å; L833-L865 HydrophobicContact CD1-CD1 4.38Å; L836-L865 HydrophobicContact CD1-CD1 4.46Å; L836-L865 HydrophobicContact CD1-CD2 4.31Å; I860-L865 HydrophobicContact CB-CD2 4.22Å; I860-L865 HydrophobicContact CB-CG 4.24Å; I860-L865 HydrophobicContact CD1-CD2 4.12Å; I860-L865 HydrophobicContact CG2-CD2 3.79Å; I860-L865 HydrophobicContact CG2-CG 3.89Å; G861-L865 PolarHBondContact O-N 2.96Å; E862-L865 PolarHBondContact O-N 3.21Å; L865-I868 PolarHBondContact O-N 3.1Å; L865-A869 VanDerWaalsContact O-CB 3.26Å; L865-A869 WeakPolarHBondContact O-CB 3.32Å; L865-A869 PolarHBondContact O-N 3.48Å |
| 866 | V | 85.5 | Confident | 87.5 | Confident | 23 Ų | 23 | 36.9 Ų | 36.9 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | 177.4 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | L828 E862 I868 A869 N870 | L828-V866 HydrophobicContact CD2-CG1 3.97Å; L828-V866 HydrophobicContact CD2-CG2 4.21Å; E862-V866 HydrophobicContact CG-CG2 4.05Å; E862-V866 WeakPolarHBondContact O-CB 3.32Å; E862-V866 VanDerWaalsContact O-CG2 3.26Å; E862-V866 WeakPolarHBondContact O-CG2 3.3Å; E862-V866 PolarHBondContact O-N 3.32Å; V866-I868 VanDerWaalsContact C-N 3.34Å; V866-I868 PolarHBondContact O-N 3.2Å; V866-A869 PolarHBondContact O-N 2.98Å; V866-N870 WeakPolarHBondContact CG1-ND2 3.4Å; V866-N870 WeakPolarHBondContact O-CB 3.37Å; V866-N870 VanDerWaalsContact O-CG 3.32Å; V866-N870 PolarHBondContact O-N 3.18Å; V866-N870 PolarHBondContact O-ND2 3.25Å |
| 867 | A | 83.9 | Confident | 87.3 | Confident | 33 Ų | 33 | 37 Ų | 37 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.7 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S863 R864 C871 | S863-A867 WeakPolarHBondContact O-CB 3.44Å; S863-A867 PolarHBondContact O-N 3.05Å; R864-A867 PolarHBondContact O-N 2.93Å; A867-C871 WeakPolarHBondContact O-CB 3.5Å; A867-C871 PolarHBondContact O-N 3Å |
| 868 | I | 87.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.5 | -42.7 | 177.1 | -68.1 | 165.9 | 0 | 0 | 0 | 110.9 | L813 L816 R864 L865 V866 C871 R877 L880 V881 L884 | L813-I868 HydrophobicContact CD2-CD1 4.38Å; L813-I868 VanDerWaalsContact O-CG2 3.31Å; L813-I868 WeakPolarHBondContact O-CG2 3.45Å; L816-I868 HydrophobicContact CB-CG2 4.22Å; L816-I868 HydrophobicContact CD2-CB 4.26Å; L816-I868 HydrophobicContact CD2-CG2 4.04Å; R864-I868 WeakPolarHBondContact O-CB 3.27Å; R864-I868 WeakPolarHBondContact O-CD1 3.34Å; R864-I868 WeakPolarHBondContact O-CG1 3.12Å; R864-I868 PolarHBondContact O-N 3.4Å; L865-I868 PolarHBondContact O-N 3.1Å; V866-I868 VanDerWaalsContact C-N 3.34Å; V866-I868 PolarHBondContact O-N 3.2Å; I868-C871 WeakPolarHBondContact O-CB 3.35Å; I868-C871 PolarHBondContact O-N 3.42Å; I868-R877 HydrophobicContact CG2-CG 4.25Å; I868-L880 HydrophobicContact CG1-CB 4.1Å; I868-L880 HydrophobicContact CG1-CD1 4.33Å; I868-V881 HydrophobicContact CD1-CG2 4.3Å; I868-V881 HydrophobicContact CG2-CG2 4.36Å; I868-L884 HydrophobicContact CD1-CD2 4.37Å |
| 869 | A | 85.8 | Confident | 87.2 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -42.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L816 A820 L832 L865 V866 C871 | L816-A869 HydrophobicContact CD2-CB 3.9Å; L816-A869 HydrophobicContact CG-CB 3.91Å; A820-A869 HydrophobicContact CB-CB 4.25Å; L832-A869 HydrophobicContact CD1-CB 3.6Å; L832-A869 HydrophobicContact CD2-CB 3.97Å; L832-A869 HydrophobicContact CG-CB 4.46Å; L865-A869 VanDerWaalsContact O-CB 3.26Å; L865-A869 WeakPolarHBondContact O-CB 3.32Å; L865-A869 PolarHBondContact O-N 3.48Å; V866-A869 PolarHBondContact O-N 2.98Å; A869-C871 PolarHBondContact O-N 3.03Å |
| 870 | N | 83.2 | Confident | 87.1 | Confident | 102 Ų | 102 | 33 Ų | 33 | 55% | 0.545 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -7.9 | 179.7 | -69 | -17.2 | 0 | 0 | 0 | 113.2 | V866 S872 | V866-N870 WeakPolarHBondContact CG1-ND2 3.4Å; V866-N870 WeakPolarHBondContact O-CB 3.37Å; V866-N870 VanDerWaalsContact O-CG 3.32Å; V866-N870 PolarHBondContact O-N 3.18Å; V866-N870 PolarHBondContact O-ND2 3.25Å; N870-S872 PolarHBondContact O-N 3.44Å |
| 871 | C | 83.3 | Confident | 87.2 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | trans | -82 | 99.9 | -179.2 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | A867 I868 A869 S873 E876 R877 L880 | A867-C871 WeakPolarHBondContact O-CB 3.5Å; A867-C871 PolarHBondContact O-N 3Å; I868-C871 WeakPolarHBondContact O-CB 3.35Å; I868-C871 PolarHBondContact O-N 3.42Å; A869-C871 PolarHBondContact O-N 3.03Å; C871-S873 PolarHBondContact SG-O 2.79Å; C871-S873 VanDerWaalsContact SG-O 3.32Å; C871-E876 VanDerWaalsContact SG-CB 3.52Å; C871-R877 HydrophobicContact CB-CB 4.25Å; C871-R877 PolarHBondContact O-NH1 2.98Å; C871-R877 PolarHBondContact SG-N 3.42Å; C871-L880 HydrophobicContact CB-CD1 4.36Å | ||
| 872 | S | 79 | Confident | 87.4 | Confident | 112 Ų | 112 | 31.6 Ų | 31.6 | 78% | 0.783 | 19% | 0.185 | S | C | * | . | trans | -72.1 | -28.9 | 175.2 | 59.6 | 0 | 0 | 0 | 0 | 113.3 | N870 V874 | N870-S872 PolarHBondContact O-N 3.44Å; S872-V874 PolarHBondContact O-N 3.44Å | ||
| 873 | S | 87.9 | Confident | 87.4 | Confident | 50 Ų | 50 | 27.9 Ų | 27.9 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | trans | -71.9 | 120 | 177.1 | 174.6 | 0 | 0 | 0 | 0 | 111 | C871 V875 E876 R877 | C871-S873 PolarHBondContact SG-O 2.79Å; C871-S873 VanDerWaalsContact SG-O 3.32Å; S873-V875 PolarHBondContact O-N 3.37Å; S873-V875 PolarHBondContact OG-N 2.9Å; S873-E876 PolarHBondContact O-N 2.97Å; S873-E876 PolarHBondContact OG-N 2.8Å; S873-R877 VanDerWaalsContact O-CB 3.26Å; S873-R877 WeakPolarHBondContact O-CB 3.38Å; S873-R877 PolarHBondContact O-N 3.02Å | ||
| 874 | V | 91.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.5 | -40 | 173.9 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | S872 N878 W894 A1108 E1111 A1112 T1115 | S872-V874 PolarHBondContact O-N 3.44Å; V874-N878 WeakPolarHBondContact O-CB 3.29Å; V874-N878 PolarHBondContact O-N 3.28Å; V874-N878 PolarHBondContact O-ND2 3.41Å; V874-W894 HydrophobicContact CG1-CH2 4.43Å; V874-A1108 HydrophobicContact CG1-CB 4.31Å; V874-A1108 WeakPolarHBondContact CG1-O 3.26Å; V874-E1111 HydrophobicContact CG2-CB 4.49Å; V874-E1111 HydrophobicContact CG2-CG 3.9Å; V874-A1112 HydrophobicContact CB-CB 4.2Å; V874-A1112 HydrophobicContact CG1-CB 4.02Å; V874-T1115 HydrophobicContact CG2-CG2 4.44Å |
| 875 | V | 91.4 | Very high | 87.6 | Confident | 17 Ų | 17 | 25.1 Ų | 25.1 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.7 | -50.7 | -176 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | S873 R877 N878 L879 W894 F897 R898 A1112 | S873-V875 PolarHBondContact O-N 3.37Å; S873-V875 PolarHBondContact OG-N 2.9Å; V875-R877 VanDerWaalsContact C-N 3.32Å; V875-R877 PolarHBondContact O-N 2.93Å; V875-N878 PolarHBondContact O-N 3.02Å; V875-L879 HydrophobicContact CG1-CD1 4.05Å; V875-L879 WeakPolarHBondContact O-CG 3.28Å; V875-L879 PolarHBondContact O-N 2.84Å; V875-W894 HydrophobicContact CB-CE3 4.37Å; V875-W894 HydrophobicContact CG1-CB 4.48Å; V875-W894 HydrophobicContact CG1-CE3 4.16Å; V875-W894 HydrophobicContact CG2-CE3 4.14Å; V875-W894 HydrophobicContact CG2-CZ3 4.14Å; V875-F897 HydrophobicContact CG1-CD1 4.45Å; V875-F897 HydrophobicContact CG2-CD1 3.56Å; V875-F897 HydrophobicContact CG2-CE1 3.6Å; V875-R898 HydrophobicContact CG1-CB 3.93Å; V875-R898 HydrophobicContact CG1-CG 4.48Å; V875-A1112 HydrophobicContact CG2-CB 4.36Å |
| 876 | E | 89.6 | Confident | 87.3 | Confident | 42 Ų | 42 | 25.2 Ų | 25.2 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 179.3 | -68.7 | -57.3 | 156.2 | 0 | 0 | 111.1 | R408 C871 S873 N878 L879 L880 R898 | R408-E876 IonicContact CZ-OE2 3.32Å; R408-E876 IonicContact NH1-OE2 3.8Å; R408-E876 IonicContact NH2-OE1 3.53Å; R408-E876 IonicContact NH2-OE2 3.28Å; R408-E876 PolarHBondContact NH2-OE2 3.29Å; C871-E876 VanDerWaalsContact SG-CB 3.52Å; S873-E876 PolarHBondContact O-N 2.97Å; S873-E876 PolarHBondContact OG-N 2.8Å; E876-N878 VanDerWaalsContact C-N 3.33Å; E876-N878 PolarHBondContact O-N 3.08Å; E876-L879 WeakPolarHBondContact O-CB 3.32Å; E876-L879 PolarHBondContact O-N 3.06Å; E876-L879 VanDerWaalsContact O-N 3.1Å; E876-L880 WeakPolarHBondContact O-CG 3.5Å; E876-L880 PolarHBondContact O-N 3.34Å; E876-R898 VanDerWaalsContact OE1-CD 3.29Å; E876-R898 WeakPolarHBondContact OE1-CD 3.42Å; E876-R898 IonicContact OE1-CZ 3.31Å; E876-R898 IonicContact OE1-NE 2.63Å; E876-R898 PolarHBondContact OE1-NE 2.53Å; E876-R898 IonicContact OE1-NH1 3.1Å; E876-R898 PolarHBondContact OE1-NH1 2.9Å; E876-R898 VanDerWaalsContact OE1-NH1 3.08Å; E876-R898 IonicContact OE1-NH2 3.26Å |
| 877 | R | 91 | Very high | 87.2 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.011 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 175.1 | -176.5 | 168.5 | 60.5 | -131.8 | 6.3 | 111.6 | L814 Y817 I868 C871 S873 V875 L879 L880 V881 E1111 | L814-R877 WeakPolarHBondContact O-CD 3.37Å; L814-R877 PolarHBondContact O-NE 2.99Å; Y817-R877 VanDerWaalsContact CE1-NH2 3.3Å; I868-R877 HydrophobicContact CG2-CG 4.25Å; C871-R877 HydrophobicContact CB-CB 4.25Å; C871-R877 PolarHBondContact O-NH1 2.98Å; C871-R877 PolarHBondContact SG-N 3.42Å; S873-R877 VanDerWaalsContact O-CB 3.26Å; S873-R877 WeakPolarHBondContact O-CB 3.38Å; S873-R877 PolarHBondContact O-N 3.02Å; V875-R877 VanDerWaalsContact C-N 3.32Å; V875-R877 PolarHBondContact O-N 2.93Å; R877-L879 VanDerWaalsContact C-N 3.34Å; R877-L879 PolarHBondContact O-N 3.46Å; R877-L880 PolarHBondContact O-N 3.23Å; R877-V881 WeakPolarHBondContact O-CG2 3.44Å; R877-V881 PolarHBondContact O-N 3.28Å; R877-E1111 IonicContact NH2-OE1 3.45Å; R877-E1111 PolarHBondContact NH2-OE1 3.42Å |
| 878 | N | 92.2 | Very high | 87 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -35.7 | 175.6 | -85.5 | -91.4 | 0 | 0 | 0 | 112.6 | L814 V874 V875 E876 A882 W894 | L814-N878 HydrophobicContact CD2-CB 4.33Å; L814-N878 WeakPolarHBondContact CD2-OD1 3.45Å; V874-N878 WeakPolarHBondContact O-CB 3.29Å; V874-N878 PolarHBondContact O-N 3.28Å; V874-N878 PolarHBondContact O-ND2 3.41Å; V875-N878 PolarHBondContact O-N 3.02Å; E876-N878 VanDerWaalsContact C-N 3.33Å; E876-N878 PolarHBondContact O-N 3.08Å; N878-A882 WeakPolarHBondContact O-CB 3.25Å; N878-A882 PolarHBondContact O-N 3.23Å; N878-W894 VanDerWaalsContact CB-CD1 3.48Å; N878-W894 HydrophobicContact CB-CD2 3.77Å; N878-W894 VanDerWaalsContact CB-CE2 3.47Å; N878-W894 HydrophobicContact CB-CG 3.79Å; N878-W894 HydrophobicContact CB-CZ2 4.05Å; N878-W894 VanDerWaalsContact CB-NE1 3.3Å; N878-W894 VanDerWaalsContact CG-CE2 3.44Å; N878-W894 PolarHBondContact OD1-NE1 3Å |
| 879 | L | 89.7 | Confident | 86.9 | Confident | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.4 | -41.3 | 175.5 | -73.8 | 162.9 | 0 | 0 | 0 | 111.9 | R408 V875 E876 R877 A882 S883 W894 | R408-L879 VanDerWaalsContact NH1-CD1 3.26Å; V875-L879 HydrophobicContact CG1-CD1 4.05Å; V875-L879 WeakPolarHBondContact O-CG 3.28Å; V875-L879 PolarHBondContact O-N 2.84Å; E876-L879 WeakPolarHBondContact O-CB 3.32Å; E876-L879 PolarHBondContact O-N 3.06Å; E876-L879 VanDerWaalsContact O-N 3.1Å; R877-L879 VanDerWaalsContact C-N 3.34Å; R877-L879 PolarHBondContact O-N 3.46Å; L879-A882 PolarHBondContact O-N 3.01Å; L879-S883 WeakPolarHBondContact O-CB 3.45Å; L879-S883 PolarHBondContact O-N 2.9Å; L879-W894 HydrophobicContact CD1-CB 4.28Å; L879-W894 HydrophobicContact CD2-CB 3.61Å; L879-W894 HydrophobicContact CG-CB 3.68Å |
| 880 | L | 89.7 | Confident | 87 | Confident | 29 Ų | 29 | 25.3 Ų | 25.3 | 15% | 0.152 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.5 | -48.9 | 175.2 | -68.6 | 175.6 | 0 | 0 | 0 | 111 | L406 I868 C871 E876 R877 A882 S883 L884 | L406-L880 HydrophobicContact CB-CD2 3.91Å; L406-L880 HydrophobicContact CD1-CD2 3.82Å; I868-L880 HydrophobicContact CG1-CB 4.1Å; I868-L880 HydrophobicContact CG1-CD1 4.33Å; C871-L880 HydrophobicContact CB-CD1 4.36Å; E876-L880 WeakPolarHBondContact O-CG 3.5Å; E876-L880 PolarHBondContact O-N 3.34Å; R877-L880 PolarHBondContact O-N 3.23Å; L880-A882 PolarHBondContact O-N 2.69Å; L880-S883 PolarHBondContact O-N 3.03Å; L880-S883 PolarHBondContact O-OG 2.83Å; L880-L884 PolarHBondContact O-N 2.78Å |
| 881 | V | 90.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 177.1 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | R810 L813 L814 I868 R877 S883 L884 F885 | R810-V881 HydrophobicContact CG-CG1 3.92Å; L813-V881 HydrophobicContact CB-CG2 3.87Å; L814-V881 HydrophobicContact CD2-CB 3.94Å; L814-V881 HydrophobicContact CD2-CG1 4.21Å; L814-V881 HydrophobicContact CD2-CG2 3.85Å; L814-V881 HydrophobicContact CG-CB 4.49Å; L814-V881 HydrophobicContact CG-CG1 4.27Å; L814-V881 HydrophobicContact CG-CG2 4.31Å; I868-V881 HydrophobicContact CD1-CG2 4.3Å; I868-V881 HydrophobicContact CG2-CG2 4.36Å; R877-V881 WeakPolarHBondContact O-CG2 3.44Å; R877-V881 PolarHBondContact O-N 3.28Å; V881-S883 VanDerWaalsContact C-N 3.31Å; V881-S883 PolarHBondContact O-N 2.98Å; V881-L884 PolarHBondContact O-N 3.17Å; V881-F885 HydrophobicContact CG1-CD2 3.92Å; V881-F885 HydrophobicContact CG1-CE2 4.05Å; V881-F885 WeakPolarHBondContact O-CD2 3.45Å; V881-F885 PolarHBondContact O-N 3.46Å |
| 882 | A | 89 | Confident | 87.5 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N878 L879 L880 F885 G886 D887 A890 | N878-A882 WeakPolarHBondContact O-CB 3.25Å; N878-A882 PolarHBondContact O-N 3.23Å; L879-A882 PolarHBondContact O-N 3.01Å; L880-A882 PolarHBondContact O-N 2.69Å; A882-F885 PolarHBondContact O-N 3.36Å; A882-G886 CarbonylContact O-C 3.58Å; A882-G886 PolarHBondContact O-N 2.84Å; A882-D887 HydrophobicContact CB-CB 4.32Å; A882-D887 PolarHBondContact O-N 3.22Å; A882-A890 HydrophobicContact CB-CB 3.79Å |
| 883 | S | 86.4 | Confident | 88.1 | Confident | 41 Ų | 41 | 15.3 Ų | 15.3 | 29% | 0.287 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.5 | 74.3 | 0 | 0 | 0 | 0 | 112.4 | L879 L880 V881 F885 G886 | L879-S883 WeakPolarHBondContact O-CB 3.45Å; L879-S883 PolarHBondContact O-N 2.9Å; L880-S883 PolarHBondContact O-N 3.03Å; L880-S883 PolarHBondContact O-OG 2.83Å; V881-S883 VanDerWaalsContact C-N 3.31Å; V881-S883 PolarHBondContact O-N 2.98Å; S883-F885 VanDerWaalsContact C-N 3.34Å; S883-F885 PolarHBondContact O-N 3.36Å; S883-G886 PolarHBondContact O-N 2.78Å |
| 884 | L | 87.5 | Confident | 88.3 | Confident | 19 Ų | 19 | 12.9 Ų | 12.9 | 10% | 0.099 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | 178.2 | 177.4 | 63.6 | 0 | 0 | 0 | 112.4 | F796 L813 I860 I868 L880 V881 | F796-L884 HydrophobicContact CD1-CD1 3.58Å; F796-L884 HydrophobicContact CD1-CG 4.02Å; F796-L884 HydrophobicContact CE1-CD1 3.63Å; F796-L884 HydrophobicContact CE1-CD2 4.07Å; F796-L884 HydrophobicContact CE1-CG 3.49Å; F796-L884 VanDerWaalsContact CE1-CG 3.49Å; F796-L884 HydrophobicContact CG-CD1 4.37Å; F796-L884 HydrophobicContact CZ-CD1 4.43Å; F796-L884 HydrophobicContact CZ-CD2 4.12Å; F796-L884 HydrophobicContact CZ-CG 4.04Å; L813-L884 HydrophobicContact CD1-CD2 3.71Å; I860-L884 HydrophobicContact CD1-CD2 4.3Å; I860-L884 HydrophobicContact CG1-CD2 4.35Å; I860-L884 HydrophobicContact CG2-CD1 4.47Å; I860-L884 HydrophobicContact CG2-CD2 3.93Å; I868-L884 HydrophobicContact CD1-CD2 4.37Å; L880-L884 PolarHBondContact O-N 2.78Å; V881-L884 PolarHBondContact O-N 3.17Å |
| 885 | F | 87 | Confident | 88.3 | Confident | 17 Ų | 17 | 13.8 Ų | 13.8 | 8% | 0.075 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -84.7 | -11.3 | 177.2 | -82.7 | -105.6 | 0 | 0 | 0 | 113.5 | W21 F796 P798 I809 R810 L813 V881 A882 S883 D887 | W21-F885 WeakPolarHBondContact CZ3-O 3.46Å; F796-F885 HydrophobicContact CZ-CE2 4.08Å; F796-F885 HydrophobicContact CZ-CZ 4.2Å; P798-F885 HydrophobicContact CB-CD1 3.88Å; P798-F885 HydrophobicContact CB-CE1 3.73Å; P798-F885 HydrophobicContact CG-CD1 3.54Å; P798-F885 HydrophobicContact CG-CE1 3.64Å; P798-F885 HydrophobicContact CG-CG 4.15Å; P798-F885 HydrophobicContact CG-CZ 4.3Å; I809-F885 HydrophobicContact CB-CZ 4.18Å; I809-F885 HydrophobicContact CG2-CE2 4.33Å; I809-F885 HydrophobicContact CG2-CZ 3.83Å; R810-F885 HydrophobicContact CB-CE1 4.08Å; R810-F885 HydrophobicContact CB-CE2 4.12Å; R810-F885 HydrophobicContact CB-CZ 3.67Å; R810-F885 HydrophobicContact CG-CE2 4.41Å; R810-F885 HydrophobicContact CG-CZ 4.37Å; L813-F885 HydrophobicContact CD1-CE2 3.93Å; V881-F885 HydrophobicContact CG1-CD2 3.92Å; V881-F885 HydrophobicContact CG1-CE2 4.05Å; V881-F885 WeakPolarHBondContact O-CD2 3.45Å; V881-F885 PolarHBondContact O-N 3.46Å; A882-F885 PolarHBondContact O-N 3.36Å; S883-F885 VanDerWaalsContact C-N 3.34Å; S883-F885 PolarHBondContact O-N 3.36Å; F885-D887 VanDerWaalsContact C-N 3.29Å; F885-D887 HydrophobicContact CB-CB 4.43Å; F885-D887 PolarHBondContact O-N 3.37Å |
| 886 | G | 80.9 | Confident | 88.3 | Confident | 3 Ų | 3 | 13 Ų | 13 | 3% | 0.031 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 29.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | W21 H376 A882 S883 D888 | W21-G886 WeakPolarHBondContact O-CA 3.45Å; H376-G886 WeakPolarHBondContact NE2-CA 3.39Å; H376-G886 PolarHBondContact NE2-O 2.7Å; A882-G886 CarbonylContact O-C 3.58Å; A882-G886 PolarHBondContact O-N 2.84Å; S883-G886 PolarHBondContact O-N 2.78Å; G886-D888 PolarHBondContact O-N 2.9Å |
| 887 | D | 83.4 | Confident | 88.5 | Confident | 11 Ų | 11 | 11.1 Ų | 11.1 | 6% | 0.059 | 6% | 0.064 | C | C | . | . | trans | -81.8 | 97.6 | -178.5 | -175.7 | -12.4 | 0 | 0 | 0 | 110.9 | R810 A882 F885 W889 A890 S891 | R810-D887 IonicContact CZ-OD2 3.08Å; R810-D887 IonicContact NH1-OD2 3.72Å; R810-D887 PolarHBondContact NH1-OD2 3.39Å; R810-D887 IonicContact NH2-OD2 2.98Å; R810-D887 PolarHBondContact NH2-OD2 2.85Å; A882-D887 HydrophobicContact CB-CB 4.32Å; A882-D887 PolarHBondContact O-N 3.22Å; F885-D887 VanDerWaalsContact C-N 3.29Å; F885-D887 HydrophobicContact CB-CB 4.43Å; F885-D887 PolarHBondContact O-N 3.37Å; D887-W889 VanDerWaalsContact C-N 3.34Å; D887-W889 PolarHBondContact O-N 2.92Å; D887-W889 PolarHBondContact OD1-N 2.82Å; D887-A890 HydrophobicContact CB-CB 4.14Å; D887-A890 VanDerWaalsContact CG-CB 3.42Å; D887-A890 PolarHBondContact OD1-N 3.48Å; D887-A890 WeakPolarHBondContact OD2-CB 3.35Å; D887-S891 WeakPolarHBondContact O-CB 3.47Å; D887-S891 PolarHBondContact O-N 3.5Å | ||
| 888 | D | 81.2 | Confident | 88.5 | Confident | 32 Ų | 32 | 14.3 Ų | 14.3 | 17% | 0.171 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.1 | -38.6 | -177.2 | -162.4 | 9.6 | 0 | 0 | 0 | 111.7 | K61 R314 H376 G886 S891 C892 | K61-D888 IonicContact NZ-OD2 3.99Å; K61-D888 PolarHBondContact NZ-OD2 3.11Å; R314-D888 IonicContact CZ-OD1 2.91Å; R314-D888 IonicContact NH1-OD1 3.28Å; R314-D888 PolarHBondContact NH1-OD1 3.14Å; R314-D888 IonicContact NH1-OD2 3.87Å; R314-D888 PolarHBondContact NH1-OD2 2.97Å; R314-D888 IonicContact NH2-OD1 3.59Å; R314-D888 PolarHBondContact NH2-OD1 3.25Å; H376-D888 PolarHBondContact NE2-N 3.02Å; G886-D888 PolarHBondContact O-N 2.9Å; D888-S891 PolarHBondContact O-N 2.67Å; D888-C892 WeakPolarHBondContact O-CB 3.42Å; D888-C892 PolarHBondContact O-N 3.24Å; D888-C892 PolarHBondContact O-SG 3.32Å |
| 889 | W | 85.2 | Confident | 88.4 | Confident | 20 Ų | 20 | 14.1 Ų | 14.1 | 8% | 0.076 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.2 | -54 | 178.5 | 160.8 | -113.9 | 0 | 0 | 0 | 111.3 | T64 P65 D887 S891 C892 F893 T1078 L1081 L1082 L1097 | T64-W889 VanDerWaalsContact O-CB 3.23Å; T64-W889 WeakPolarHBondContact O-CB 3.47Å; T64-W889 VanDerWaalsContact O-CG 3.24Å; P65-W889 HydrophobicContact CG-CD2 4.22Å; P65-W889 HydrophobicContact CG-CG 4.24Å; D887-W889 VanDerWaalsContact C-N 3.34Å; D887-W889 PolarHBondContact O-N 2.92Å; D887-W889 PolarHBondContact OD1-N 2.82Å; W889-S891 VanDerWaalsContact C-N 3.3Å; W889-S891 PolarHBondContact O-N 3.08Å; W889-C892 PolarHBondContact O-N 3.43Å; W889-F893 HydrophobicContact CH2-CD2 4.15Å; W889-F893 HydrophobicContact CZ2-CB 4.38Å; W889-F893 HydrophobicContact CZ2-CD2 4.02Å; W889-F893 HydrophobicContact CZ2-CG 4.49Å; W889-F893 WeakPolarHBondContact O-CB 3.37Å; W889-F893 PolarHBondContact O-N 2.89Å; W889-T1078 HydrophobicContact CD2-CG2 4.18Å; W889-T1078 HydrophobicContact CE3-CG2 3.67Å; W889-T1078 HydrophobicContact CZ3-CG2 3.86Å; W889-T1078 WeakPolarHBondContact CZ3-O 3.28Å; W889-L1081 HydrophobicContact CH2-CB 3.92Å; W889-L1081 HydrophobicContact CH2-CD1 4.01Å; W889-L1081 HydrophobicContact CH2-CD2 3.85Å; W889-L1081 HydrophobicContact CH2-CG 4.13Å; W889-L1081 HydrophobicContact CZ2-CD1 4Å; W889-L1081 HydrophobicContact CZ2-CD2 4.12Å; W889-L1082 HydrophobicContact CH2-CD2 4.4Å; W889-L1082 HydrophobicContact CZ3-CD2 4.04Å; W889-L1082 HydrophobicContact CZ3-CG 4.03Å; W889-L1097 HydrophobicContact CZ2-CD2 4.38Å |
| 890 | A | 87.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A882 D887 C892 F893 W894 | A882-A890 HydrophobicContact CB-CB 3.79Å; D887-A890 HydrophobicContact CB-CB 4.14Å; D887-A890 VanDerWaalsContact CG-CB 3.42Å; D887-A890 PolarHBondContact OD1-N 3.48Å; D887-A890 WeakPolarHBondContact OD2-CB 3.35Å; A890-C892 VanDerWaalsContact C-N 3.34Å; A890-C892 PolarHBondContact O-N 2.62Å; A890-F893 PolarHBondContact O-N 3.48Å; A890-W894 WeakPolarHBondContact O-CB 3.39Å; A890-W894 PolarHBondContact O-N 2.64Å |
| 891 | S | 87.7 | Confident | 88.5 | Confident | 9 Ų | 9 | 14 Ų | 14 | 6% | 0.063 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.2 | -46.9 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | D887 D888 W889 S895 | D887-S891 WeakPolarHBondContact O-CB 3.47Å; D887-S891 PolarHBondContact O-N 3.5Å; D888-S891 PolarHBondContact O-N 2.67Å; W889-S891 VanDerWaalsContact C-N 3.3Å; W889-S891 PolarHBondContact O-N 3.08Å; S891-S895 WeakPolarHBondContact O-CB 3.46Å; S891-S895 PolarHBondContact O-N 3.14Å; S891-S895 PolarHBondContact O-OG 2.84Å |
| 892 | C | 88.5 | Confident | 88.4 | Confident | 14 Ų | 14 | 15.7 Ų | 15.7 | 10% | 0.095 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 177.3 | -67.4 | 0 | 0 | 0 | 0 | 112 | D888 W889 A890 W894 S895 V896 F915 L1082 | D888-C892 WeakPolarHBondContact O-CB 3.42Å; D888-C892 PolarHBondContact O-N 3.24Å; D888-C892 PolarHBondContact O-SG 3.32Å; W889-C892 PolarHBondContact O-N 3.43Å; A890-C892 VanDerWaalsContact C-N 3.34Å; A890-C892 PolarHBondContact O-N 2.62Å; C892-W894 PolarHBondContact O-N 2.81Å; C892-S895 PolarHBondContact O-N 2.91Å; C892-V896 VanDerWaalsContact O-CG2 3.32Å; C892-V896 WeakPolarHBondContact O-CG2 3.44Å; C892-V896 PolarHBondContact O-N 3.37Å; C892-F915 HydrophobicContact CB-CE2 4.13Å; C892-F915 HydrophobicContact CB-CZ 3.8Å; C892-F915 VanDerWaalsContact SG-CZ 3.52Å; C892-L1082 HydrophobicContact CB-CD1 4.25Å; C892-L1082 HydrophobicContact CB-CD2 4.42Å |
| 893 | F | 92.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.6 | -52.4 | -179.6 | 178.7 | -92.1 | 0 | 0 | 0 | 111.6 | W889 A890 S895 V896 F897 L1081 L1082 L1085 V1093 L1097 T1105 F1109 | W889-F893 HydrophobicContact CH2-CD2 4.15Å; W889-F893 HydrophobicContact CZ2-CB 4.38Å; W889-F893 HydrophobicContact CZ2-CD2 4.02Å; W889-F893 HydrophobicContact CZ2-CG 4.49Å; W889-F893 WeakPolarHBondContact O-CB 3.37Å; W889-F893 PolarHBondContact O-N 2.89Å; A890-F893 PolarHBondContact O-N 3.48Å; F893-S895 PolarHBondContact O-N 2.9Å; F893-V896 PolarHBondContact O-N 2.8Å; F893-F897 PolarHBondContact O-N 3.37Å; F893-L1081 HydrophobicContact CD2-CD2 3.7Å; F893-L1081 HydrophobicContact CE2-CD2 3.43Å; F893-L1081 VanDerWaalsContact CE2-CD2 3.43Å; F893-L1082 HydrophobicContact CB-CD2 4.38Å; F893-L1085 HydrophobicContact CD2-CD2 3.69Å; F893-L1085 HydrophobicContact CE2-CD1 3.97Å; F893-L1085 HydrophobicContact CE2-CD2 3.7Å; F893-L1085 HydrophobicContact CE2-CG 4.4Å; F893-L1085 HydrophobicContact CG-CD2 4.19Å; F893-L1085 HydrophobicContact CZ-CD1 4.06Å; F893-L1085 HydrophobicContact CZ-CD2 4.21Å; F893-L1085 VanDerWaalsContact O-CD2 3.28Å; F893-L1085 WeakPolarHBondContact O-CD2 3.33Å; F893-V1093 HydrophobicContact CE2-CG1 4.09Å; F893-V1093 HydrophobicContact CZ-CG1 4.33Å; F893-L1097 HydrophobicContact CE2-CD1 4.3Å; F893-L1097 HydrophobicContact CZ-CD1 4.11Å; F893-T1105 HydrophobicContact CD1-CG2 3.91Å; F893-T1105 HydrophobicContact CE1-CG2 3.84Å; F893-T1105 HydrophobicContact CG-CG2 4.43Å; F893-T1105 HydrophobicContact CZ-CG2 4.3Å; F893-F1109 HydrophobicContact CE1-CB 4.43Å; F893-F1109 HydrophobicContact CE1-CD2 4.08Å; F893-F1109 HydrophobicContact CZ-CB 4.32Å; F893-F1109 AromaticContact CZ-CD2 3.7Å; F893-F1109 HydrophobicContact CZ-CD2 3.7Å; F893-F1109 HydrophobicContact CZ-CE2 4.22Å; F893-F1109 HydrophobicContact CZ-CG 4.08Å |
| 894 | W | 92.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -72.4 | -30.4 | -177.3 | -69.3 | 113.3 | 0 | 0 | 0 | 113.2 | V874 V875 N878 L879 A890 C892 F897 R898 T1105 A1108 F1109 A1112 | V874-W894 HydrophobicContact CG1-CH2 4.43Å; V875-W894 HydrophobicContact CB-CE3 4.37Å; V875-W894 HydrophobicContact CG1-CB 4.48Å; V875-W894 HydrophobicContact CG1-CE3 4.16Å; V875-W894 HydrophobicContact CG2-CE3 4.14Å; V875-W894 HydrophobicContact CG2-CZ3 4.14Å; N878-W894 VanDerWaalsContact CB-CD1 3.48Å; N878-W894 HydrophobicContact CB-CD2 3.77Å; N878-W894 VanDerWaalsContact CB-CE2 3.47Å; N878-W894 HydrophobicContact CB-CG 3.79Å; N878-W894 HydrophobicContact CB-CZ2 4.05Å; N878-W894 VanDerWaalsContact CB-NE1 3.3Å; N878-W894 VanDerWaalsContact CG-CE2 3.44Å; N878-W894 PolarHBondContact OD1-NE1 3Å; L879-W894 HydrophobicContact CD1-CB 4.28Å; L879-W894 HydrophobicContact CD2-CB 3.61Å; L879-W894 HydrophobicContact CG-CB 3.68Å; A890-W894 WeakPolarHBondContact O-CB 3.39Å; A890-W894 PolarHBondContact O-N 2.64Å; C892-W894 PolarHBondContact O-N 2.81Å; W894-F897 HydrophobicContact CE3-CB 4.31Å; W894-F897 HydrophobicContact CE3-CD1 4.07Å; W894-F897 HydrophobicContact CE3-CG 4.4Å; W894-F897 HydrophobicContact CZ3-CD1 4.03Å; W894-F897 HydrophobicContact CZ3-CE1 4.42Å; W894-F897 HydrophobicContact CZ3-CG 4.46Å; W894-F897 PolarHBondContact O-N 2.96Å; W894-R898 WeakPolarHBondContact O-CB 3.49Å; W894-R898 PolarHBondContact O-N 2.91Å; W894-T1105 HydrophobicContact CZ2-CG2 4.49Å; W894-A1108 HydrophobicContact CH2-CB 3.9Å; W894-A1108 HydrophobicContact CZ2-CB 3.63Å; W894-F1109 HydrophobicContact CH2-CB 4.32Å; W894-A1112 HydrophobicContact CH2-CB 4.26Å; W894-A1112 HydrophobicContact CZ3-CB 3.96Å |
| 895 | S | 90.6 | Very high | 88.1 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 15% | 0.147 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 173 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | S891 C892 F893 G899 | S891-S895 WeakPolarHBondContact O-CB 3.46Å; S891-S895 PolarHBondContact O-N 3.14Å; S891-S895 PolarHBondContact O-OG 2.84Å; C892-S895 PolarHBondContact O-N 2.91Å; F893-S895 PolarHBondContact O-N 2.9Å; S895-G899 PolarHBondContact O-N 3.27Å |
| 896 | V | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.9 | -43.8 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | C892 F893 R898 G899 V900 F912 L919 L1082 L1085 | C892-V896 VanDerWaalsContact O-CG2 3.32Å; C892-V896 WeakPolarHBondContact O-CG2 3.44Å; C892-V896 PolarHBondContact O-N 3.37Å; F893-V896 PolarHBondContact O-N 2.8Å; V896-R898 PolarHBondContact O-N 3.09Å; V896-G899 PolarHBondContact O-N 2.82Å; V896-G899 VanDerWaalsContact O-N 3.15Å; V896-V900 HydrophobicContact CG1-CG2 4.42Å; V896-V900 WeakPolarHBondContact O-CG2 3.35Å; V896-V900 PolarHBondContact O-N 2.75Å; V896-F912 HydrophobicContact CG1-CE1 4.39Å; V896-L919 HydrophobicContact CG1-CD1 4.43Å; V896-L919 HydrophobicContact CG2-CD1 3.67Å; V896-L1082 HydrophobicContact CB-CD2 4.46Å; V896-L1082 HydrophobicContact CG2-CD2 4.21Å; V896-L1085 HydrophobicContact CB-CD2 4Å; V896-L1085 HydrophobicContact CG1-CB 4.37Å; V896-L1085 HydrophobicContact CG1-CD2 3.88Å; V896-L1085 HydrophobicContact CG1-CG 4.19Å |
| 897 | F | 93.5 | Very high | 87.7 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58 | -47.6 | 175.1 | -175.7 | -102.2 | 0 | 0 | 0 | 111.7 | V875 F893 W894 G899 V900 M901 L1085 W1090 F1109 A1112 L1113 | V875-F897 HydrophobicContact CG1-CD1 4.45Å; V875-F897 HydrophobicContact CG2-CD1 3.56Å; V875-F897 HydrophobicContact CG2-CE1 3.6Å; F893-F897 PolarHBondContact O-N 3.37Å; W894-F897 HydrophobicContact CE3-CB 4.31Å; W894-F897 HydrophobicContact CE3-CD1 4.07Å; W894-F897 HydrophobicContact CE3-CG 4.4Å; W894-F897 HydrophobicContact CZ3-CD1 4.03Å; W894-F897 HydrophobicContact CZ3-CE1 4.42Å; W894-F897 HydrophobicContact CZ3-CG 4.46Å; W894-F897 PolarHBondContact O-N 2.96Å; F897-G899 VanDerWaalsContact C-N 3.3Å; F897-G899 PolarHBondContact O-N 2.97Å; F897-V900 PolarHBondContact O-N 2.87Å; F897-M901 HydrophobicContact CD1-CG 4.09Å; F897-M901 HydrophobicContact CD2-CG 4.49Å; F897-M901 HydrophobicContact CE1-CG 3.72Å; F897-M901 HydrophobicContact CE1-SD 4.48Å; F897-M901 HydrophobicContact CE2-CG 4.17Å; F897-M901 HydrophobicContact CE2-SD 4.18Å; F897-M901 HydrophobicContact CG-CG 4.48Å; F897-M901 HydrophobicContact CZ-CG 3.78Å; F897-M901 HydrophobicContact CZ-SD 3.96Å; F897-M901 VanDerWaalsContact O-CG 3.31Å; F897-M901 WeakPolarHBondContact O-CG 3.46Å; F897-M901 PolarHBondContact O-N 2.78Å; F897-L1085 HydrophobicContact CB-CD2 4.12Å; F897-L1085 HydrophobicContact CD2-CD1 3.98Å; F897-W1090 HydrophobicContact CD2-CZ3 4.27Å; F897-W1090 HydrophobicContact CE2-CH2 4.35Å; F897-W1090 HydrophobicContact CE2-CZ3 4.11Å; F897-F1109 HydrophobicContact CD2-CD2 4.14Å; F897-F1109 AromaticContact CD2-CE2 3.7Å; F897-F1109 HydrophobicContact CD2-CE2 3.7Å; F897-F1109 HydrophobicContact CE2-CD2 4.04Å; F897-F1109 AromaticContact CE2-CE2 3.56Å; F897-F1109 HydrophobicContact CE2-CE2 3.56Å; F897-A1112 HydrophobicContact CE1-CB 3.79Å; F897-A1112 HydrophobicContact CZ-CB 4Å; F897-L1113 HydrophobicContact CE2-CD2 3.92Å; F897-L1113 HydrophobicContact CE2-CG 4.48Å; F897-L1113 HydrophobicContact CZ-CD2 4.04Å; F897-L1113 HydrophobicContact CZ-CG 4.48Å |
| 898 | R | 91.1 | Very high | 87.5 | Confident | 70 Ų | 70 | 33.6 Ų | 33.6 | 26% | 0.264 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 174.2 | -173 | -179.7 | 176.2 | -164.1 | -1.6 | 111.2 | R408 D411 V875 E876 W894 V896 V900 M901 N902 | R408-R898 VanDerWaalsContact NH2-NH1 3.18Å; D411-R898 IonicContact OD1-NH1 2.67Å; V875-R898 HydrophobicContact CG1-CB 3.93Å; V875-R898 HydrophobicContact CG1-CG 4.48Å; E876-R898 VanDerWaalsContact OE1-CD 3.29Å; E876-R898 WeakPolarHBondContact OE1-CD 3.42Å; E876-R898 IonicContact OE1-CZ 3.31Å; E876-R898 IonicContact OE1-NE 2.63Å; E876-R898 PolarHBondContact OE1-NE 2.53Å; E876-R898 IonicContact OE1-NH1 3.1Å; E876-R898 PolarHBondContact OE1-NH1 2.9Å; E876-R898 VanDerWaalsContact OE1-NH1 3.08Å; E876-R898 IonicContact OE1-NH2 3.26Å; W894-R898 WeakPolarHBondContact O-CB 3.49Å; W894-R898 PolarHBondContact O-N 2.91Å; V896-R898 PolarHBondContact O-N 3.09Å; R898-V900 PolarHBondContact O-N 2.83Å; R898-M901 PolarHBondContact O-N 3.15Å; R898-N902 WeakPolarHBondContact O-CB 3.37Å; R898-N902 VanDerWaalsContact O-CG 3.24Å; R898-N902 PolarHBondContact O-N 3.37Å; R898-N902 PolarHBondContact O-OD1 2.86Å |
| 899 | G | 90.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.1 | -49.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S895 V896 F897 M901 N902 D903 F912 | S895-G899 PolarHBondContact O-N 3.27Å; V896-G899 PolarHBondContact O-N 2.82Å; V896-G899 VanDerWaalsContact O-N 3.15Å; F897-G899 VanDerWaalsContact C-N 3.3Å; F897-G899 PolarHBondContact O-N 2.97Å; G899-M901 PolarHBondContact O-N 3.05Å; G899-N902 PolarHBondContact O-N 3.17Å; G899-D903 WeakPolarHBondContact O-CB 3.48Å; G899-D903 PolarHBondContact O-N 3.14Å; G899-F912 WeakPolarHBondContact O-CE2 3.39Å |
| 900 | V | 91.6 | Very high | 87.6 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | -179.8 | 176 | 0 | 0 | 0 | 0 | 111.5 | V896 F897 R898 R904 F912 A1088 W1090 | V896-V900 HydrophobicContact CG1-CG2 4.42Å; V896-V900 WeakPolarHBondContact O-CG2 3.35Å; V896-V900 PolarHBondContact O-N 2.75Å; F897-V900 PolarHBondContact O-N 2.87Å; R898-V900 PolarHBondContact O-N 2.83Å; V900-R904 WeakPolarHBondContact O-CG 3.15Å; V900-R904 PolarHBondContact O-N 2.69Å; V900-R904 VanDerWaalsContact O-N 3.15Å; V900-F912 HydrophobicContact CB-CZ 4.25Å; V900-F912 HydrophobicContact CG2-CE1 3.85Å; V900-F912 HydrophobicContact CG2-CZ 3.63Å; V900-F912 VanDerWaalsContact N-CZ 3.29Å; V900-A1088 HydrophobicContact CG1-CB 4.42Å; V900-W1090 HydrophobicContact CG1-CH2 3.76Å |
| 901 | M | 89.8 | Confident | 87.3 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | 178.9 | -64.9 | -54.9 | -68.1 | 0 | 0 | 111.8 | F897 R898 G899 D903 R904 Q905 W1090 A1116 L1121 | F897-M901 HydrophobicContact CD1-CG 4.09Å; F897-M901 HydrophobicContact CD2-CG 4.49Å; F897-M901 HydrophobicContact CE1-CG 3.72Å; F897-M901 HydrophobicContact CE1-SD 4.48Å; F897-M901 HydrophobicContact CE2-CG 4.17Å; F897-M901 HydrophobicContact CE2-SD 4.18Å; F897-M901 HydrophobicContact CG-CG 4.48Å; F897-M901 HydrophobicContact CZ-CG 3.78Å; F897-M901 HydrophobicContact CZ-SD 3.96Å; F897-M901 VanDerWaalsContact O-CG 3.31Å; F897-M901 WeakPolarHBondContact O-CG 3.46Å; F897-M901 PolarHBondContact O-N 2.78Å; R898-M901 PolarHBondContact O-N 3.15Å; G899-M901 PolarHBondContact O-N 3.05Å; M901-D903 PolarHBondContact O-N 2.82Å; M901-R904 PolarHBondContact O-N 2.96Å; M901-Q905 WeakPolarHBondContact O-CG 3.43Å; M901-Q905 PolarHBondContact O-N 2.83Å; M901-W1090 HydrophobicContact SD-CH2 4.5Å; M901-A1116 HydrophobicContact CE-CB 3.54Å; M901-L1121 HydrophobicContact CE-CD1 3.86Å; M901-L1121 HydrophobicContact SD-CD1 4.4Å |
| 902 | N | 87.9 | Confident | 87.2 | Confident | 36 Ų | 36 | 34.8 Ų | 34.8 | 19% | 0.193 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 177.3 | -75.1 | 8.8 | 0 | 0 | 0 | 112 | R898 G899 Q905 G906 C907 | R898-N902 WeakPolarHBondContact O-CB 3.37Å; R898-N902 VanDerWaalsContact O-CG 3.24Å; R898-N902 PolarHBondContact O-N 3.37Å; R898-N902 PolarHBondContact O-OD1 2.86Å; G899-N902 PolarHBondContact O-N 3.17Å; N902-Q905 CarbonylContact O-C 3.45Å; N902-Q905 PolarHBondContact O-N 2.93Å; N902-G906 PolarHBondContact O-N 2.77Å; N902-G906 VanDerWaalsContact O-N 3.14Å; N902-C907 HydrophobicContact CB-CB 4.15Å; N902-C907 WeakPolarHBondContact O-CB 3.44Å; N902-C907 PolarHBondContact O-N 2.88Å |
| 903 | D | 86.7 | Confident | 86.7 | Confident | 50 Ų | 50 | 34.6 Ų | 34.6 | 27% | 0.267 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.5 | -40.2 | -179.4 | -174.4 | 58.3 | 0 | 0 | 0 | 112.4 | R417 G899 M901 Q905 G906 F912 P921 | R417-D903 IonicContact CZ-OD1 3.08Å; R417-D903 PolarHBondContact NH2-O 3.45Å; R417-D903 IonicContact NH2-OD1 2.67Å; R417-D903 PolarHBondContact NH2-OD1 2.96Å; G899-D903 WeakPolarHBondContact O-CB 3.48Å; G899-D903 PolarHBondContact O-N 3.14Å; M901-D903 PolarHBondContact O-N 2.82Å; D903-Q905 PolarHBondContact O-N 3.25Å; D903-G906 PolarHBondContact O-N 2.98Å; D903-F912 HydrophobicContact CB-CE2 3.91Å; D903-P921 HydrophobicContact CB-CG 4.1Å; D903-P921 VanDerWaalsContact CG-CG 3.43Å; D903-P921 WeakPolarHBondContact OD2-CG 3.41Å |
| 904 | R | 85.1 | Confident | 86.2 | Confident | 132 Ų | 132 | 35.3 Ų | 35.3 | 50% | 0.498 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59 | -32.9 | 172.6 | -77.3 | 176.7 | 169.2 | -115.9 | -0.9 | 112.8 | V900 M901 G906 L1121 | V900-R904 WeakPolarHBondContact O-CG 3.15Å; V900-R904 PolarHBondContact O-N 2.69Å; V900-R904 VanDerWaalsContact O-N 3.15Å; M901-R904 PolarHBondContact O-N 2.96Å; R904-G906 VanDerWaalsContact C-N 3.31Å; R904-L1121 VanDerWaalsContact NH1-CD2 3.28Å |
| 905 | Q | 83.9 | Confident | 85.4 | Confident | 103 Ų | 103 | 36.2 Ų | 36.2 | 48% | 0.481 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.9 | 176.3 | -69.1 | 176.5 | -0.1 | 0 | 0 | 113.2 | M901 N902 D903 C907 | M901-Q905 WeakPolarHBondContact O-CG 3.43Å; M901-Q905 PolarHBondContact O-N 2.83Å; N902-Q905 CarbonylContact O-C 3.45Å; N902-Q905 PolarHBondContact O-N 2.93Å; D903-Q905 PolarHBondContact O-N 3.25Å; Q905-C907 VanDerWaalsContact C-N 3.27Å; Q905-C907 VanDerWaalsContact CB-SG 3.54Å; Q905-C907 PolarHBondContact O-N 3.31Å |
| 906 | G | 81.6 | Confident | 84.6 | Confident | 36 Ų | 36 | 37.7 Ų | 37.7 | 37% | 0.371 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 17.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R417 N902 D903 R904 | R417-G906 PolarHBondContact NH1-O 3.15Å; N902-G906 PolarHBondContact O-N 2.77Å; N902-G906 VanDerWaalsContact O-N 3.14Å; D903-G906 PolarHBondContact O-N 2.98Å; R904-G906 VanDerWaalsContact C-N 3.31Å |
| 907 | C | 79.4 | Confident | 84.2 | Confident | 46 Ų | 46 | 38.2 Ų | 38.2 | 31% | 0.311 | 20% | 0.202 | S | C | . | . | trans | -68.8 | 143.7 | -174.1 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | N902 Q905 | N902-C907 HydrophobicContact CB-CB 4.15Å; N902-C907 WeakPolarHBondContact O-CB 3.44Å; N902-C907 PolarHBondContact O-N 2.88Å; Q905-C907 VanDerWaalsContact C-N 3.27Å; Q905-C907 VanDerWaalsContact CB-SG 3.54Å; Q905-C907 PolarHBondContact O-N 3.31Å | ||
| 908 | D | 77.4 | Confident | 83.9 | Confident | 100 Ų | 100 | 38.7 Ų | 38.7 | 54% | 0.535 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -124.5 | 128.5 | 169.1 | -161.7 | 30 | 0 | 0 | 0 | 106.6 | N416 R417 | N416-D908 WeakPolarHBondContact CA-OD1 3.2Å; R417-D908 PolarHBondContact N-OD1 3.22Å |
| 909 | P | 84.1 | Confident | 83.8 | Confident | 50 Ų | 50 | 35.7 Ų | 35.7 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | S | Bend | cis | -78.3 | 162.6 | 11.9 | 32.8 | -36.5 | 0 | 0 | 0 | 115.4 | L414 L415 G911 | L414-P909 HydrophobicContact CB-CB 3.95Å; L414-P909 HydrophobicContact CB-CG 4.3Å; L414-P909 HydrophobicContact CD1-CG 4.21Å; L414-P909 HydrophobicContact CD2-CG 4.01Å; L414-P909 HydrophobicContact CG-CG 4.39Å; L415-P909 WeakPolarHBondContact O-CB 3.02Å; P909-G911 PolarHBondContact O-N 2.83Å |
| 910 | V | 85.6 | Confident | 83.8 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | trans | -62.2 | 117 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 110.3 | R316 L415 R417 F912 L924 | R316-V910 PolarHBondContact NH2-O 2.96Å; L415-V910 HydrophobicContact CB-CB 4.32Å; L415-V910 HydrophobicContact CD2-CB 4.15Å; L415-V910 HydrophobicContact CD2-CG1 4.13Å; L415-V910 HydrophobicContact CG-CB 4.22Å; L415-V910 WeakPolarHBondContact O-CB 3.35Å; L415-V910 PolarHBondContact O-N 3.14Å; R417-V910 HydrophobicContact CG-CG2 3.93Å; V910-F912 VanDerWaalsContact C-N 3.3Å; V910-F912 HydrophobicContact CG1-CB 4.04Å; V910-F912 HydrophobicContact CG1-CD2 4.24Å; V910-F912 PolarHBondContact O-N 2.93Å; V910-L924 HydrophobicContact CG1-CD1 3.85Å; V910-L924 HydrophobicContact CG2-CD1 3.87Å; V910-L924 HydrophobicContact CG2-CD2 4.49Å | ||
| 911 | G | 81.2 | Confident | 83.6 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 22% | 0.216 | 20% | 0.2 | C | C | . | . | trans | -77.2 | -10.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P909 | P909-G911 PolarHBondContact O-N 2.83Š| ||
| 912 | F | 85.1 | Confident | 83.5 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | -72.9 | 139.7 | 178.3 | -75.2 | -86.7 | 0 | 0 | 0 | 111.7 | R316 V896 G899 V900 D903 V910 L920 P921 | R316-F912 PolarHBondContact NH1-O 3.13Å; V896-F912 HydrophobicContact CG1-CE1 4.39Å; G899-F912 WeakPolarHBondContact O-CE2 3.39Å; V900-F912 HydrophobicContact CB-CZ 4.25Å; V900-F912 HydrophobicContact CG2-CE1 3.85Å; V900-F912 HydrophobicContact CG2-CZ 3.63Å; V900-F912 VanDerWaalsContact N-CZ 3.29Å; D903-F912 HydrophobicContact CB-CE2 3.91Å; V910-F912 VanDerWaalsContact C-N 3.3Å; V910-F912 HydrophobicContact CG1-CB 4.04Å; V910-F912 HydrophobicContact CG1-CD2 4.24Å; V910-F912 PolarHBondContact O-N 2.93Å; F912-L920 HydrophobicContact CB-CD2 3.67Å; F912-L920 HydrophobicContact CG-CD2 4.16Å; F912-P921 HydrophobicContact CD2-CG 4.26Å; F912-P921 VanDerWaalsContact CE2-CD 3.47Å; F912-P921 HydrophobicContact CE2-CG 3.63Å; F912-P921 HydrophobicContact CZ-CG 4.19Å | ||
| 913 | P | 77.9 | Confident | 83.5 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 7% | 0.065 | 22% | 0.216 | C | C | . | . | trans | -81.5 | 153.7 | 170.5 | 34.9 | -35.3 | 0 | 0 | 0 | 111.5 | F915 | P913-F915 HydrophobicContact CB-CD1 3.44Å; P913-F915 VanDerWaalsContact CB-CD1 3.44Å; P913-F915 HydrophobicContact CB-CE1 3.24Å; P913-F915 HydrophobicContact CB-CG 4.45Å; P913-F915 HydrophobicContact CB-CZ 4.11Å; P913-F915 HydrophobicContact CG-CD1 3.75Å; P913-F915 HydrophobicContact CG-CE1 3.1Å; P913-F915 HydrophobicContact CG-CE2 4.37Å; P913-F915 HydrophobicContact CG-CZ 3.45Å; P913-F915 VanDerWaalsContact CG-CZ 3.45Å; P913-F915 PolarHBondContact O-N 2.88Å | ||
| 914 | N | 81.7 | Confident | 83.7 | Confident | 16 Ų | 16 | 38.2 Ų | 38.2 | 9% | 0.086 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -5.4 | -176.2 | -72.7 | 3.5 | 0 | 0 | 0 | 114.8 | R314 S315 L415 F916 | R314-N914 CarbonylContact O-C 3.58Å; S315-N914 WeakPolarHBondContact O-CB 3.46Å; S315-N914 PolarHBondContact O-N 3.3Å; S315-N914 VanDerWaalsContact O-N 3.12Å; L415-N914 WeakPolarHBondContact CD2-OD1 3.41Å; N914-F916 PolarHBondContact O-N 3.15Å; N914-F916 VanDerWaalsContact O-N 3.17Å |
| 915 | F | 75.4 | Confident | 83.9 | Confident | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -8.3 | -173.9 | 64.5 | -107.7 | 0 | 0 | 0 | 114.1 | F163 R314 C892 P913 | F163-F915 VanDerWaalsContact CE1-C 3.44Å; F163-F915 WeakPolarHBondContact CE1-O 3.41Å; R314-F915 HydrophobicContact CB-CB 3.89Å; R314-F915 HydrophobicContact CG-CB 4.06Å; R314-F915 HydrophobicContact CG-CD1 4.17Å; R314-F915 HydrophobicContact CG-CG 4.49Å; R314-F915 WeakPolarHBondContact O-CA 3.29Å; R314-F915 WeakPolarHBondContact O-CB 3.11Å; R314-F915 PolarHBondContact O-N 3.13Å; R314-F915 VanDerWaalsContact O-N 3.08Å; C892-F915 HydrophobicContact CB-CE2 4.13Å; C892-F915 HydrophobicContact CB-CZ 3.8Å; C892-F915 VanDerWaalsContact SG-CZ 3.52Å; P913-F915 HydrophobicContact CB-CD1 3.44Å; P913-F915 VanDerWaalsContact CB-CD1 3.44Å; P913-F915 HydrophobicContact CB-CE1 3.24Å; P913-F915 HydrophobicContact CB-CG 4.45Å; P913-F915 HydrophobicContact CB-CZ 4.11Å; P913-F915 HydrophobicContact CG-CD1 3.75Å; P913-F915 HydrophobicContact CG-CE1 3.1Å; P913-F915 HydrophobicContact CG-CE2 4.37Å; P913-F915 HydrophobicContact CG-CZ 3.45Å; P913-F915 VanDerWaalsContact CG-CZ 3.45Å; P913-F915 PolarHBondContact O-N 2.88Å |
| 916 | F | 74.7 | Confident | 84.2 | Confident | 52 Ų | 52 | 28.8 Ų | 28.8 | 23% | 0.228 | 17% | 0.165 | C | C | . | . | trans | -147 | 95.4 | 166.2 | -83.2 | -70 | 0 | 0 | 0 | 110.4 | F163 N914 F918 L919 L1079 | F163-F916 HydrophobicContact CD1-CD1 4.47Å; N914-F916 PolarHBondContact O-N 3.15Å; N914-F916 VanDerWaalsContact O-N 3.17Å; F916-F918 VanDerWaalsContact C-N 3.32Å; F916-F918 PolarHBondContact O-N 3.05Å; F916-L919 HydrophobicContact CB-CD1 3.68Å; F916-L919 HydrophobicContact CB-CG 3.81Å; F916-L919 HydrophobicContact CG-CD1 4.45Å; F916-L919 WeakPolarHBondContact O-CB 3.44Å; F916-L919 PolarHBondContact O-N 2.84Å; F916-L1079 HydrophobicContact CD1-CD1 4.13Å; F916-L1079 HydrophobicContact CD2-CD1 4.36Å; F916-L1079 HydrophobicContact CE1-CD1 3.89Å; F916-L1079 HydrophobicContact CE2-CD1 4.19Å; F916-L1079 HydrophobicContact CG-CD1 4.39Å; F916-L1079 HydrophobicContact CZ-CD1 3.96Å | ||
| 917 | D | 83.4 | Confident | 84.6 | Confident | 12 Ų | 12 | 29.9 Ų | 29.9 | 6% | 0.064 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -65.6 | -29.9 | -177 | 63.1 | -13.6 | 0 | 0 | 0 | 113.8 | R273 L919 L920 F925 | R273-D917 WeakPolarHBondContact CD-OD2 3.43Å; R273-D917 WeakPolarHBondContact CG-OD2 3.49Å; R273-D917 IonicContact NE-OD2 3.97Å; R273-D917 PolarHBondContact NE-OD2 2.83Å; D917-L919 PolarHBondContact O-N 2.82Å; D917-L919 VanDerWaalsContact O-N 3.08Å; D917-L920 HydrophobicContact CB-CD1 4.26Å; D917-L920 VanDerWaalsContact O-CB 3.23Å; D917-L920 WeakPolarHBondContact O-CB 3.48Å; D917-L920 WeakPolarHBondContact O-CG 3.43Å; D917-L920 PolarHBondContact O-N 3.11Å; D917-F925 HydrophobicContact CB-CE2 4.38Å; D917-F925 WeakPolarHBondContact O-CD2 3.19Å |
| 918 | F | 88.3 | Confident | 85.1 | Confident | 13 Ų | 13 | 28.7 Ų | 28.7 | 6% | 0.057 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -60.7 | -17.6 | 174.4 | -66 | -44 | 0 | 0 | 0 | 114.1 | F916 L920 F925 E1039 V1042 W1043 K1046 W1065 | F916-F918 VanDerWaalsContact C-N 3.32Å; F916-F918 PolarHBondContact O-N 3.05Å; F918-L920 VanDerWaalsContact C-N 3.33Å; F918-F925 AromaticContact CD1-CE2 3.73Å; F918-F925 HydrophobicContact CD1-CE2 3.73Å; F918-F925 AromaticContact CD1-CZ 3.81Å; F918-F925 HydrophobicContact CD1-CZ 3.81Å; F918-F925 HydrophobicContact CE1-CE2 4.17Å; F918-F925 AromaticContact CE1-CZ 3.89Å; F918-F925 HydrophobicContact CE1-CZ 3.89Å; F918-E1039 HydrophobicContact CE2-CB 4.17Å; F918-E1039 HydrophobicContact CE2-CG 4.23Å; F918-E1039 HydrophobicContact CZ-CB 4.27Å; F918-V1042 HydrophobicContact CB-CG1 4.37Å; F918-V1042 HydrophobicContact CD1-CG1 4.11Å; F918-V1042 HydrophobicContact CG-CG1 4.24Å; F918-W1043 HydrophobicContact CE1-CB 3.98Å; F918-W1043 HydrophobicContact CZ-CB 4.5Å; F918-K1046 HydrophobicContact CD1-CD 4.44Å; F918-K1046 WeakPolarHBondContact O-CD 3.4Å; F918-K1046 WeakPolarHBondContact O-CE 3.02Å; F918-K1046 PolarHBondContact O-NZ 2.86Å; F918-W1065 HydrophobicContact CB-CH2 4.5Å; F918-W1065 HydrophobicContact CB-CZ3 4.43Å; F918-W1065 HydrophobicContact CD2-CH2 4.02Å |
| 919 | L | 88.9 | Confident | 85.7 | Confident | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -81.5 | -13.4 | 175 | -54.7 | -179.2 | 0 | 0 | 0 | 112.7 | V896 F916 D917 L1082 V1083 | V896-L919 HydrophobicContact CG1-CD1 4.43Å; V896-L919 HydrophobicContact CG2-CD1 3.67Å; F916-L919 HydrophobicContact CB-CD1 3.68Å; F916-L919 HydrophobicContact CB-CG 3.81Å; F916-L919 HydrophobicContact CG-CD1 4.45Å; F916-L919 WeakPolarHBondContact O-CB 3.44Å; F916-L919 PolarHBondContact O-N 2.84Å; D917-L919 PolarHBondContact O-N 2.82Å; D917-L919 VanDerWaalsContact O-N 3.08Å; L919-L1082 HydrophobicContact CD1-CB 4.02Å; L919-L1082 HydrophobicContact CD1-CD1 4.5Å; L919-L1082 HydrophobicContact CD2-CB 4.4Å; L919-V1083 HydrophobicContact CD2-CG2 4.02Å |
| 920 | L | 89.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -62.8 | 146.6 | 177.9 | -69.8 | 169.2 | 0 | 0 | 0 | 111.3 | M419 F912 D917 F918 L924 F925 K1046 | M419-L920 HydrophobicContact CE-CD1 3.76Å; F912-L920 HydrophobicContact CB-CD2 3.67Å; F912-L920 HydrophobicContact CG-CD2 4.16Å; D917-L920 HydrophobicContact CB-CD1 4.26Å; D917-L920 VanDerWaalsContact O-CB 3.23Å; D917-L920 WeakPolarHBondContact O-CB 3.48Å; D917-L920 WeakPolarHBondContact O-CG 3.43Å; D917-L920 PolarHBondContact O-N 3.11Å; F918-L920 VanDerWaalsContact C-N 3.33Å; L920-L924 HydrophobicContact CB-CB 4.47Å; L920-F925 HydrophobicContact CB-CB 4.28Å; L920-K1046 WeakPolarHBondContact O-CE 2.92Å; L920-K1046 PolarHBondContact O-NZ 2.94Å |
| 921 | P | 88 | Confident | 86.1 | Confident | 25 Ų | 25 | 26.4 Ų | 26.4 | 16% | 0.162 | 13% | 0.131 | C | C | . | . | trans | -50.8 | 147 | 166.5 | -25.5 | 32.6 | 0 | 0 | 0 | 112 | D903 F912 E923 L924 F925 | D903-P921 HydrophobicContact CB-CG 4.1Å; D903-P921 VanDerWaalsContact CG-CG 3.43Å; D903-P921 WeakPolarHBondContact OD2-CG 3.41Å; F912-P921 HydrophobicContact CD2-CG 4.26Å; F912-P921 VanDerWaalsContact CE2-CD 3.47Å; F912-P921 HydrophobicContact CE2-CG 3.63Å; F912-P921 HydrophobicContact CZ-CG 4.19Å; P921-E923 PolarHBondContact O-N 3.3Å; P921-E923 VanDerWaalsContact O-N 3.14Å; P921-L924 HydrophobicContact CB-CD1 4.46Å; P921-L924 HydrophobicContact CB-CG 4.41Å; P921-L924 HydrophobicContact CG-CD1 4.03Å; P921-L924 PolarHBondContact O-N 2.79Å; P921-L924 VanDerWaalsContact O-N 3.13Å; P921-F925 WeakPolarHBondContact O-CB 3.2Å; P921-F925 PolarHBondContact O-N 2.88Å | ||
| 922 | N | 88.6 | Confident | 86.4 | Confident | 24 Ų | 24 | 26.8 Ų | 26.8 | 13% | 0.128 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.9 | -35.2 | -172.7 | -68.4 | -12.9 | 0 | 0 | 0 | 113.3 | R926 K1046 | N922-R926 VanDerWaalsContact O-CG 3.31Å; N922-R926 WeakPolarHBondContact O-CG 3.43Å; N922-R926 PolarHBondContact O-N 3.28Å; N922-R926 VanDerWaalsContact O-N 3.09Å; N922-K1046 PolarHBondContact OD1-NZ 3.36Å |
| 923 | E | 87.6 | Confident | 86.6 | Confident | 112 Ų | 112 | 26.9 Ų | 26.9 | 52% | 0.523 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -66 | -52.1 | 176.1 | -69.9 | -160.5 | 156.9 | 0 | 0 | 112.4 | P921 F925 R926 I927 V1051 | P921-E923 PolarHBondContact O-N 3.3Å; P921-E923 VanDerWaalsContact O-N 3.14Å; E923-F925 VanDerWaalsContact C-N 3.29Å; E923-F925 PolarHBondContact O-N 3.5Å; E923-R926 WeakPolarHBondContact O-CB 3.48Å; E923-R926 PolarHBondContact O-N 2.81Å; E923-R926 VanDerWaalsContact O-N 3.16Å; E923-I927 WeakPolarHBondContact O-CG1 3.44Å; E923-I927 PolarHBondContact O-N 3.03Å; E923-V1051 HydrophobicContact CG-CB 4.27Å; E923-V1051 HydrophobicContact CG-CG1 3.87Å; E923-V1051 HydrophobicContact CG-CG2 3.4Å |
| 924 | L | 89.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 179.4 | -62 | -175.6 | 0 | 0 | 0 | 111.1 | R417 M419 V910 L920 P921 R926 I927 S928 | R417-L924 HydrophobicContact CB-CD2 4.25Å; R417-L924 HydrophobicContact CG-CD2 4.36Å; R417-L924 VanDerWaalsContact O-CD2 3.29Å; R417-L924 WeakPolarHBondContact O-CD2 3.44Å; M419-L924 HydrophobicContact SD-CB 3.93Å; M419-L924 HydrophobicContact SD-CD2 4.33Å; V910-L924 HydrophobicContact CG1-CD1 3.85Å; V910-L924 HydrophobicContact CG2-CD1 3.87Å; V910-L924 HydrophobicContact CG2-CD2 4.49Å; L920-L924 HydrophobicContact CB-CB 4.47Å; P921-L924 HydrophobicContact CB-CD1 4.46Å; P921-L924 HydrophobicContact CB-CG 4.41Å; P921-L924 HydrophobicContact CG-CD1 4.03Å; P921-L924 PolarHBondContact O-N 2.79Å; P921-L924 VanDerWaalsContact O-N 3.13Å; L924-R926 PolarHBondContact O-N 3.31Å; L924-I927 PolarHBondContact O-N 2.97Å; L924-S928 WeakPolarHBondContact O-CB 3.12Å; L924-S928 PolarHBondContact O-N 3Å |
| 925 | F | 90.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 174.2 | -173 | -98.6 | 0 | 0 | 0 | 111.7 | D917 F918 L920 P921 E923 I927 S928 E929 W1043 K1046 | D917-F925 HydrophobicContact CB-CE2 4.38Å; D917-F925 WeakPolarHBondContact O-CD2 3.19Å; F918-F925 AromaticContact CD1-CE2 3.73Å; F918-F925 HydrophobicContact CD1-CE2 3.73Å; F918-F925 AromaticContact CD1-CZ 3.81Å; F918-F925 HydrophobicContact CD1-CZ 3.81Å; F918-F925 HydrophobicContact CE1-CE2 4.17Å; F918-F925 AromaticContact CE1-CZ 3.89Å; F918-F925 HydrophobicContact CE1-CZ 3.89Å; L920-F925 HydrophobicContact CB-CB 4.28Å; P921-F925 WeakPolarHBondContact O-CB 3.2Å; P921-F925 PolarHBondContact O-N 2.88Å; E923-F925 VanDerWaalsContact C-N 3.29Å; E923-F925 PolarHBondContact O-N 3.5Å; F925-I927 PolarHBondContact O-N 2.82Å; F925-S928 WeakPolarHBondContact O-CB 2.96Å; F925-S928 PolarHBondContact O-N 2.91Å; F925-E929 HydrophobicContact CD1-CG 4.08Å; F925-E929 HydrophobicContact CE1-CG 3.75Å; F925-E929 HydrophobicContact CE2-CG 4.49Å; F925-E929 HydrophobicContact CZ-CG 3.98Å; F925-E929 VanDerWaalsContact O-CG 3.31Å; F925-E929 WeakPolarHBondContact O-CG 3.24Å; F925-E929 PolarHBondContact O-N 2.95Å; F925-W1043 AromaticContact CE1-CD1 3.8Å; F925-W1043 HydrophobicContact CE1-CG 4.47Å; F925-W1043 AromaticContact CZ-CD1 3.53Å; F925-W1043 HydrophobicContact CZ-CG 4.4Å; F925-K1046 HydrophobicContact CD1-CB 3.47Å; F925-K1046 VanDerWaalsContact CD1-CB 3.47Å; F925-K1046 HydrophobicContact CD1-CD 4.3Å; F925-K1046 HydrophobicContact CD2-CD 4.34Å; F925-K1046 HydrophobicContact CE1-CB 3.74Å; F925-K1046 HydrophobicContact CE1-CD 4.43Å; F925-K1046 HydrophobicContact CE2-CD 4.48Å; F925-K1046 HydrophobicContact CG-CB 4.11Å; F925-K1046 HydrophobicContact CG-CD 4.23Å |
| 926 | R | 89.3 | Confident | 87.6 | Confident | 37 Ų | 37 | 26.8 Ų | 26.8 | 14% | 0.14 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.2 | -76.3 | 172.7 | -164.9 | -172.8 | -2.8 | 113.2 | N922 E923 L924 S928 E929 R930 K1046 A1047 L1049 | N922-R926 VanDerWaalsContact O-CG 3.31Å; N922-R926 WeakPolarHBondContact O-CG 3.43Å; N922-R926 PolarHBondContact O-N 3.28Å; N922-R926 VanDerWaalsContact O-N 3.09Å; E923-R926 WeakPolarHBondContact O-CB 3.48Å; E923-R926 PolarHBondContact O-N 2.81Å; E923-R926 VanDerWaalsContact O-N 3.16Å; L924-R926 PolarHBondContact O-N 3.31Å; R926-S928 VanDerWaalsContact C-N 3.29Å; R926-E929 PolarHBondContact O-N 2.99Å; R926-R930 VanDerWaalsContact O-CB 3.3Å; R926-R930 WeakPolarHBondContact O-CB 3.25Å; R926-R930 VanDerWaalsContact O-CG 3.31Å; R926-R930 WeakPolarHBondContact O-CG 3.24Å; R926-R930 PolarHBondContact O-N 2.96Å; R926-K1046 PolarHBondContact NE-O 2.66Å; R926-K1046 PolarHBondContact NH2-O 3.46Å; R926-A1047 PolarHBondContact NE-O 2.76Å; R926-A1047 PolarHBondContact NH2-O 3.1Å; R926-L1049 PolarHBondContact NH2-O 3.01Å |
| 927 | I | 89.8 | Confident | 88 | Confident | 59 Ų | 59 | 26.7 Ų | 26.7 | 30% | 0.303 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 177.6 | -67.2 | 162.8 | 0 | 0 | 0 | 109.3 | M419 E923 L924 F925 R930 L931 | M419-I927 HydrophobicContact CB-CG2 4.11Å; M419-I927 HydrophobicContact CG-CB 4.08Å; M419-I927 HydrophobicContact CG-CG2 3.79Å; E923-I927 WeakPolarHBondContact O-CG1 3.44Å; E923-I927 PolarHBondContact O-N 3.03Å; L924-I927 PolarHBondContact O-N 2.97Å; F925-I927 PolarHBondContact O-N 2.82Å; I927-R930 PolarHBondContact O-N 3.15Å; I927-L931 HydrophobicContact CG2-CD1 4.16Å; I927-L931 WeakPolarHBondContact O-CB 3.37Å; I927-L931 WeakPolarHBondContact O-CG 3.05Å; I927-L931 PolarHBondContact O-N 3.19Å |
| 928 | S | 89.8 | Confident | 87.8 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 14% | 0.14 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.2 | -50.5 | 175.8 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | L924 F925 R926 R930 L931 Q932 | L924-S928 WeakPolarHBondContact O-CB 3.12Å; L924-S928 PolarHBondContact O-N 3Å; F925-S928 WeakPolarHBondContact O-CB 2.96Å; F925-S928 PolarHBondContact O-N 2.91Å; R926-S928 VanDerWaalsContact C-N 3.29Å; S928-R930 PolarHBondContact O-N 3.38Å; S928-L931 WeakPolarHBondContact O-CB 3.48Å; S928-L931 PolarHBondContact O-N 3Å; S928-Q932 WeakPolarHBondContact O-CG 3.45Å; S928-Q932 PolarHBondContact O-N 3.38Å |
| 929 | E | 90 | Very high | 87.3 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.019 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | -179.5 | -70.2 | -64.4 | 131.2 | 0 | 0 | 112.6 | R273 F925 R926 Q932 C933 L956 W1043 | R273-E929 IonicContact CZ-OE1 3.24Å; R273-E929 IonicContact CZ-OE2 3.33Å; R273-E929 IonicContact NE-OE1 3.43Å; R273-E929 PolarHBondContact NE-OE1 3.45Å; R273-E929 IonicContact NH2-OE1 3.29Å; R273-E929 PolarHBondContact NH2-OE1 3.4Å; R273-E929 IonicContact NH2-OE2 2.64Å; R273-E929 PolarHBondContact NH2-OE2 3.09Å; F925-E929 HydrophobicContact CD1-CG 4.08Å; F925-E929 HydrophobicContact CE1-CG 3.75Å; F925-E929 HydrophobicContact CE2-CG 4.49Å; F925-E929 HydrophobicContact CZ-CG 3.98Å; F925-E929 VanDerWaalsContact O-CG 3.31Å; F925-E929 WeakPolarHBondContact O-CG 3.24Å; F925-E929 PolarHBondContact O-N 2.95Å; R926-E929 PolarHBondContact O-N 2.99Å; E929-Q932 PolarHBondContact O-N 2.94Å; E929-C933 PolarHBondContact O-N 3.44Å; E929-C933 VanDerWaalsContact O-N 3.08Å; E929-C933 PolarHBondContact O-SG 3.35Å; E929-L956 HydrophobicContact CB-CD2 4.12Å; E929-W1043 VanDerWaalsContact CD-NE1 3.34Å; E929-W1043 PolarHBondContact OE2-NE1 3.18Å |
| 930 | R | 89.9 | Confident | 86.8 | Confident | 102 Ų | 102 | 38.8 Ų | 38.8 | 39% | 0.385 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 173.6 | -79 | 175.6 | 163.6 | 170.7 | -4 | 111.6 | R926 I927 S928 Q932 C933 V934 E958 | R926-R930 VanDerWaalsContact O-CB 3.3Å; R926-R930 WeakPolarHBondContact O-CB 3.25Å; R926-R930 VanDerWaalsContact O-CG 3.31Å; R926-R930 WeakPolarHBondContact O-CG 3.24Å; R926-R930 PolarHBondContact O-N 2.96Å; I927-R930 PolarHBondContact O-N 3.15Å; S928-R930 PolarHBondContact O-N 3.38Å; R930-Q932 VanDerWaalsContact C-N 3.3Å; R930-Q932 PolarHBondContact O-N 3.21Å; R930-C933 PolarHBondContact O-N 3.28Å; R930-V934 PolarHBondContact O-N 3.42Å; R930-E958 IonicContact CZ-OE1 3.28Å; R930-E958 IonicContact NE-OE1 2.9Å; R930-E958 PolarHBondContact NE-OE1 3.14Å; R930-E958 IonicContact NH2-OE1 2.7Å; R930-E958 PolarHBondContact NH2-OE1 2.99Å |
| 931 | L | 89.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 176.6 | -80.7 | 171.8 | 0 | 0 | 0 | 110.9 | Y335 V340 D418 M419 I927 S928 V934 T935 | Y335-L931 HydrophobicContact CE1-CD2 4.47Å; Y335-L931 HydrophobicContact CE2-CD1 4.35Å; V340-L931 HydrophobicContact CG2-CD2 4.16Å; D418-L931 WeakPolarHBondContact O-CD1 3.22Å; M419-L931 HydrophobicContact CB-CD1 3.84Å; I927-L931 HydrophobicContact CG2-CD1 4.16Å; I927-L931 WeakPolarHBondContact O-CB 3.37Å; I927-L931 WeakPolarHBondContact O-CG 3.05Å; I927-L931 PolarHBondContact O-N 3.19Å; S928-L931 WeakPolarHBondContact O-CB 3.48Å; S928-L931 PolarHBondContact O-N 3Å; L931-V934 PolarHBondContact O-N 3.03Å; L931-T935 VanDerWaalsContact O-CG2 3.28Å; L931-T935 WeakPolarHBondContact O-CG2 3.23Å; L931-T935 PolarHBondContact O-N 3.19Å |
| 932 | Q | 87.7 | Confident | 86.1 | Confident | 29 Ų | 29 | 40.3 Ų | 40.3 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 176.1 | -69.7 | -179.9 | 25.9 | 0 | 0 | 111.8 | S928 E929 R930 V934 T935 | S928-Q932 WeakPolarHBondContact O-CG 3.45Å; S928-Q932 PolarHBondContact O-N 3.38Å; E929-Q932 PolarHBondContact O-N 2.94Å; R930-Q932 VanDerWaalsContact C-N 3.3Å; R930-Q932 PolarHBondContact O-N 3.21Å; Q932-V934 VanDerWaalsContact C-N 3.3Å; Q932-V934 PolarHBondContact O-N 2.92Å; Q932-T935 PolarHBondContact O-N 3.36Å; Q932-T935 PolarHBondContact O-OG1 3.43Å |
| 933 | C | 88.5 | Confident | 85.7 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 6% | 0.061 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -35 | 179.7 | -64 | 0 | 0 | 0 | 0 | 112.7 | F342 E929 R930 T935 V936 L953 | F342-C933 HydrophobicContact CE1-CB 4.02Å; E929-C933 PolarHBondContact O-N 3.44Å; E929-C933 VanDerWaalsContact O-N 3.08Å; E929-C933 PolarHBondContact O-SG 3.35Å; R930-C933 PolarHBondContact O-N 3.28Å; C933-T935 PolarHBondContact O-N 3.06Å; C933-V936 WeakPolarHBondContact O-CB 3.47Å; C933-V936 PolarHBondContact O-N 3.27Å; C933-L953 HydrophobicContact CB-CD2 3.89Å |
| 934 | V | 88.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.3 | -15.7 | -178.1 | 109.3 | 0 | 0 | 0 | 0 | 113.1 | V340 F342 P345 L346 R930 L931 Q932 V936 | V340-V934 HydrophobicContact CG1-CB 4.19Å; V340-V934 HydrophobicContact CG1-CG1 4.36Å; V340-V934 HydrophobicContact CG1-CG2 3.64Å; F342-V934 HydrophobicContact CB-CG2 4.42Å; F342-V934 HydrophobicContact CD1-CB 4.21Å; F342-V934 HydrophobicContact CD1-CG2 3.55Å; F342-V934 HydrophobicContact CD2-CG2 4.36Å; F342-V934 HydrophobicContact CE1-CB 4.09Å; F342-V934 HydrophobicContact CE1-CG2 3.77Å; F342-V934 HydrophobicContact CG-CG2 3.86Å; F342-V934 HydrophobicContact CZ-CG2 4.29Å; P345-V934 CarbonylContact C-O 3.54Å; P345-V934 VanDerWaalsContact CA-O 3.27Å; P345-V934 WeakPolarHBondContact CA-O 3.42Å; L346-V934 HydrophobicContact CB-CG1 3.47Å; L346-V934 VanDerWaalsContact CB-CG1 3.47Å; L346-V934 HydrophobicContact CD1-CG1 3.92Å; L346-V934 HydrophobicContact CG-CG1 4.33Å; L346-V934 PolarHBondContact N-O 2.78Å; R930-V934 PolarHBondContact O-N 3.42Å; L931-V934 PolarHBondContact O-N 3.03Å; Q932-V934 VanDerWaalsContact C-N 3.3Å; Q932-V934 PolarHBondContact O-N 2.92Å; V934-V936 PolarHBondContact O-N 3.35Å |
| 935 | T | 84.7 | Confident | 85.3 | Confident | 29 Ų | 29 | 42.6 Ų | 42.6 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -12.5 | 176.7 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | Y335 V348 L931 Q932 C933 | Y335-T935 HydrophobicContact CE1-CG2 4.28Å; V348-T935 HydrophobicContact CG2-CG2 3.32Å; L931-T935 VanDerWaalsContact O-CG2 3.28Å; L931-T935 WeakPolarHBondContact O-CG2 3.23Å; L931-T935 PolarHBondContact O-N 3.19Å; Q932-T935 PolarHBondContact O-N 3.36Å; Q932-T935 PolarHBondContact O-OG1 3.43Å; C933-T935 PolarHBondContact O-N 3.06Å |
| 936 | V | 83.3 | Confident | 85.1 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | trans | -87.3 | 122.4 | -169.6 | 177 | 0 | 0 | 0 | 0 | 110.4 | C933 V934 F938 H949 | C933-V936 WeakPolarHBondContact O-CB 3.47Å; C933-V936 PolarHBondContact O-N 3.27Å; V934-V936 PolarHBondContact O-N 3.35Å; V936-F938 HydrophobicContact CB-CD1 4.26Å; V936-F938 HydrophobicContact CB-CE1 3.84Å; V936-F938 HydrophobicContact CB-CZ 4.31Å; V936-F938 HydrophobicContact CG1-CD1 3.62Å; V936-F938 HydrophobicContact CG1-CE1 3.64Å; V936-F938 HydrophobicContact CG1-CG 4.48Å; V936-F938 PolarHBondContact O-N 3.28Å; V936-H949 WeakPolarHBondContact CG1-NE2 3Å; V936-H949 VanDerWaalsContact CG2-CE1 3.47Å; V936-H949 WeakPolarHBondContact CG2-CE1 2.91Å | ||
| 937 | D | 82.2 | Confident | 85 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | trans | -81.3 | 94.2 | 166.8 | -173.8 | -4.5 | 0 | 0 | 0 | 110.1 | P345 K939 Q940 | P345-D937 HydrophobicContact CB-CB 4.37Å; P345-D937 HydrophobicContact CG-CB 3.97Å; D937-K939 PolarHBondContact O-N 3.25Å; D937-K939 VanDerWaalsContact O-N 3.09Å; D937-K939 WeakPolarHBondContact OD1-CB 3.32Å; D937-K939 PolarHBondContact OD1-N 2.97Å; D937-Q940 HydrophobicContact CB-CG 4.47Å; D937-Q940 PolarHBondContact O-N 3.27Å; D937-Q940 PolarHBondContact OD2-NE2 3.43Å | ||
| 938 | F | 80.7 | Confident | 85 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -58 | -25 | -176.8 | -55 | -61.1 | 0 | 0 | 0 | 113.8 | F342 V936 Q940 C941 L946 H949 L953 M965 | F342-F938 HydrophobicContact CB-CE2 4.41Å; F342-F938 HydrophobicContact CD1-CE2 4.42Å; F342-F938 HydrophobicContact CD1-CZ 4.36Å; V936-F938 HydrophobicContact CB-CD1 4.26Å; V936-F938 HydrophobicContact CB-CE1 3.84Å; V936-F938 HydrophobicContact CB-CZ 4.31Å; V936-F938 HydrophobicContact CG1-CD1 3.62Å; V936-F938 HydrophobicContact CG1-CE1 3.64Å; V936-F938 HydrophobicContact CG1-CG 4.48Å; V936-F938 PolarHBondContact O-N 3.28Å; F938-Q940 PolarHBondContact O-N 2.94Å; F938-C941 WeakPolarHBondContact O-CB 3.31Å; F938-C941 PolarHBondContact O-N 3.32Å; F938-L946 HydrophobicContact CB-CD1 4.21Å; F938-H949 HydrophobicContact CD1-CB 4.16Å; F938-H949 HydrophobicContact CE1-CB 3.86Å; F938-L953 HydrophobicContact CE1-CD1 4.13Å; F938-L953 HydrophobicContact CZ-CD1 3.82Å; F938-M965 HydrophobicContact CB-CE 4.29Å; F938-M965 HydrophobicContact CD1-CE 3.52Å; F938-M965 HydrophobicContact CD1-SD 4.1Å; F938-M965 HydrophobicContact CD2-CE 4.37Å; F938-M965 HydrophobicContact CD2-CG 4.33Å; F938-M965 HydrophobicContact CD2-SD 3.98Å; F938-M965 HydrophobicContact CE1-CE 3.9Å; F938-M965 HydrophobicContact CE1-SD 4.17Å; F938-M965 HydrophobicContact CE2-SD 4.04Å; F938-M965 HydrophobicContact CG-CE 3.79Å; F938-M965 HydrophobicContact CG-CG 4.44Å; F938-M965 HydrophobicContact CG-SD 4.02Å; F938-M965 HydrophobicContact CZ-CE 4.47Å; F938-M965 HydrophobicContact CZ-SD 4.14Å |
| 939 | K | 78 | Confident | 85 | Confident | 176 Ų | 176 | 44 Ų | 44 | 77% | 0.765 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -69.7 | -21.5 | 179.6 | -62.3 | 179 | -179.5 | 175.9 | 0 | 112.5 | D937 | D937-K939 PolarHBondContact O-N 3.25Å; D937-K939 VanDerWaalsContact O-N 3.09Å; D937-K939 WeakPolarHBondContact OD1-CB 3.32Å; D937-K939 PolarHBondContact OD1-N 2.97Å |
| 940 | Q | 78.2 | Confident | 85 | Confident | 83 Ų | 83 | 43.8 Ų | 43.8 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -99.4 | -1.4 | 179.9 | -59.7 | -172.6 | 35.5 | 0 | 0 | 113 | N226 D937 F938 | N226-Q940 PolarHBondContact ND2-OE1 3Å; D937-Q940 HydrophobicContact CB-CG 4.47Å; D937-Q940 PolarHBondContact O-N 3.27Å; D937-Q940 PolarHBondContact OD2-NE2 3.43Å; F938-Q940 PolarHBondContact O-N 2.94Å |
| 941 | C | 79.8 | Confident | 85 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | trans | -72.2 | 140.8 | -179.5 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | Q293 F938 Q945 L946 | Q293-C941 PolarHBondContact NE2-SG 2.9Å; Q293-C941 VanDerWaalsContact NE2-SG 3.45Å; F938-C941 WeakPolarHBondContact O-CB 3.31Å; F938-C941 PolarHBondContact O-N 3.32Å; C941-Q945 HydrophobicContact CB-CB 3.81Å; C941-L946 HydrophobicContact CB-CB 4.22Å | ||
| 942 | S | 82 | Confident | 85 | Confident | 51 Ų | 51 | 41 Ų | 41 | 36% | 0.357 | 22% | 0.216 | S | C | . | . | trans | -63.1 | 167 | 162.4 | 74.2 | 0 | 0 | 0 | 0 | 110.8 | D944 Q945 L946 | S942-D944 VanDerWaalsContact C-N 3.31Å; S942-D944 PolarHBondContact O-N 3.44Å; S942-Q945 PolarHBondContact O-N 2.98Å; S942-Q945 WeakPolarHBondContact OG-CB 3.3Å; S942-Q945 VanDerWaalsContact OG-CG 3.29Å; S942-Q945 WeakPolarHBondContact OG-CG 3.33Å; S942-Q945 PolarHBondContact OG-N 3.35Å; S942-L946 WeakPolarHBondContact O-CB 3.45Å; S942-L946 PolarHBondContact O-N 3.42Å | ||
| 943 | A | 80.7 | Confident | 85.1 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 41% | 0.413 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.3 | -44.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L946 Q947 | A943-L946 PolarHBondContact O-N 3.23Å; A943-Q947 PolarHBondContact O-N 3.48Å |
| 944 | D | 82.1 | Confident | 85.2 | Confident | 112 Ų | 112 | 39.2 Ų | 39.2 | 60% | 0.599 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.9 | -40.8 | 178.7 | -60.3 | -25.9 | 0 | 0 | 0 | 112.1 | S942 Q947 H948 | S942-D944 VanDerWaalsContact C-N 3.31Å; S942-D944 PolarHBondContact O-N 3.44Å; D944-Q947 PolarHBondContact O-N 3.02Å; D944-H948 PolarHBondContact O-N 3.32Å |
| 945 | Q | 86.8 | Confident | 85.2 | Confident | 30 Ų | 30 | 40 Ų | 40 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 175.7 | -74.7 | 171.1 | -14.6 | 0 | 0 | 111.2 | P291 M292 C941 S942 Q947 H948 H949 | P291-Q945 HydrophobicContact CB-CG 4.29Å; P291-Q945 VanDerWaalsContact O-CG 3.28Å; P291-Q945 WeakPolarHBondContact O-CG 3.49Å; P291-Q945 PolarHBondContact O-NE2 3.45Å; M292-Q945 PolarHBondContact O-NE2 2.88Å; C941-Q945 HydrophobicContact CB-CB 3.81Å; S942-Q945 PolarHBondContact O-N 2.98Å; S942-Q945 WeakPolarHBondContact OG-CB 3.3Å; S942-Q945 VanDerWaalsContact OG-CG 3.29Å; S942-Q945 WeakPolarHBondContact OG-CG 3.33Å; S942-Q945 PolarHBondContact OG-N 3.35Å; Q945-Q947 VanDerWaalsContact C-N 3.31Å; Q945-Q947 PolarHBondContact O-N 3.39Å; Q945-H948 PolarHBondContact O-N 3.18Å; Q945-H949 PolarHBondContact O-CD2 3.07Å; Q945-H949 PolarHBondContact O-N 3.41Å |
| 946 | L | 86.6 | Confident | 85.4 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 177.4 | -172.9 | 71.8 | 0 | 0 | 0 | 110.1 | F938 C941 S942 A943 H948 H949 V950 M965 | F938-L946 HydrophobicContact CB-CD1 4.21Å; C941-L946 HydrophobicContact CB-CB 4.22Å; S942-L946 WeakPolarHBondContact O-CB 3.45Å; S942-L946 PolarHBondContact O-N 3.42Å; A943-L946 PolarHBondContact O-N 3.23Å; L946-H948 VanDerWaalsContact C-N 3.34Å; L946-H948 PolarHBondContact O-N 3.44Å; L946-H949 PolarHBondContact O-N 3.35Å; L946-V950 HydrophobicContact CG-CG2 4.33Å; L946-V950 WeakPolarHBondContact O-CB 3.44Å; L946-V950 VanDerWaalsContact O-CG2 3.29Å; L946-V950 WeakPolarHBondContact O-CG2 3.43Å; L946-V950 PolarHBondContact O-N 2.96Å; L946-M965 HydrophobicContact CD1-CE 3.47Å; L946-M965 VanDerWaalsContact CD1-CE 3.47Å; L946-M965 HydrophobicContact CG-CE 4.43Å |
| 947 | Q | 87.1 | Confident | 85.5 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 29% | 0.29 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.4 | -44 | 177.5 | -169.9 | 64.8 | 14.2 | 0 | 0 | 111.6 | A943 D944 Q945 H949 V950 T951 | A943-Q947 PolarHBondContact O-N 3.48Å; D944-Q947 PolarHBondContact O-N 3.02Å; Q945-Q947 VanDerWaalsContact C-N 3.31Å; Q945-Q947 PolarHBondContact O-N 3.39Å; Q947-H949 VanDerWaalsContact C-N 3.34Å; Q947-H949 PolarHBondContact O-N 2.95Å; Q947-V950 PolarHBondContact O-N 2.73Å; Q947-T951 PolarHBondContact O-N 3.28Å; Q947-T951 PolarHBondContact O-OG1 2.97Å; Q947-T951 VanDerWaalsContact O-OG1 3.09Å |
| 948 | H | 89.2 | Confident | 85.8 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.9 | -45.6 | 175.7 | -179 | 75.4 | 0 | 0 | 0 | 112 | V290 P291 D944 Q945 L946 T951 T952 | V290-H948 VanDerWaalsContact CG1-CE1 3.41Å; V290-H948 WeakPolarHBondContact CG1-CE1 3.31Å; P291-H948 HydrophobicContact CB-CB 4.47Å; D944-H948 PolarHBondContact O-N 3.32Å; Q945-H948 PolarHBondContact O-N 3.18Å; L946-H948 VanDerWaalsContact C-N 3.34Å; L946-H948 PolarHBondContact O-N 3.44Å; H948-T951 WeakPolarHBondContact O-CB 3.46Å; H948-T951 PolarHBondContact O-N 3.05Å; H948-T952 PolarHBondContact O-N 3.25Å; H948-T952 PolarHBondContact O-OG1 2.99Å |
| 949 | H | 89.5 | Confident | 86.2 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.8 | -39.4 | 178.1 | -71.8 | -56.2 | 0 | 0 | 0 | 113 | Q293 V936 F938 Q945 L946 Q947 T951 T952 L953 M965 | Q293-H949 PolarHBondContact OE1-NE2 3.22Å; V936-H949 WeakPolarHBondContact CG1-NE2 3Å; V936-H949 VanDerWaalsContact CG2-CE1 3.47Å; V936-H949 WeakPolarHBondContact CG2-CE1 2.91Å; F938-H949 HydrophobicContact CD1-CB 4.16Å; F938-H949 HydrophobicContact CE1-CB 3.86Å; Q945-H949 PolarHBondContact O-CD2 3.07Å; Q945-H949 PolarHBondContact O-N 3.41Å; L946-H949 PolarHBondContact O-N 3.35Å; Q947-H949 VanDerWaalsContact C-N 3.34Å; Q947-H949 PolarHBondContact O-N 2.95Å; H949-T951 VanDerWaalsContact C-N 3.31Å; H949-T951 PolarHBondContact O-N 3.02Å; H949-T952 PolarHBondContact O-N 2.91Å; H949-L953 VanDerWaalsContact O-CB 3.28Å; H949-L953 WeakPolarHBondContact O-CB 3.39Å; H949-L953 VanDerWaalsContact O-CG 3.29Å; H949-L953 WeakPolarHBondContact O-CG 3.48Å; H949-L953 PolarHBondContact O-N 3.44Å; H949-M965 HydrophobicContact CB-CE 4.26Å |
| 950 | V | 89.7 | Confident | 86.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.4 | -48.4 | 171.7 | 162 | 0 | 0 | 0 | 0 | 109.8 | L946 Q947 T954 V962 M965 L966 | L946-V950 HydrophobicContact CG-CG2 4.33Å; L946-V950 WeakPolarHBondContact O-CB 3.44Å; L946-V950 VanDerWaalsContact O-CG2 3.29Å; L946-V950 WeakPolarHBondContact O-CG2 3.43Å; L946-V950 PolarHBondContact O-N 2.96Å; Q947-V950 PolarHBondContact O-N 2.73Å; V950-T954 VanDerWaalsContact O-CB 3.23Å; V950-T954 WeakPolarHBondContact O-CB 3.43Å; V950-T954 PolarHBondContact O-N 2.8Å; V950-T954 PolarHBondContact O-OG1 2.79Å; V950-V962 HydrophobicContact CG1-CG1 4.04Å; V950-M965 HydrophobicContact CG2-CE 3.85Å; V950-L966 HydrophobicContact CG1-CD1 4.48Å; V950-L966 HydrophobicContact CG1-CD2 4.02Å; V950-L966 HydrophobicContact CG1-CG 4.47Å; V950-L966 HydrophobicContact CG2-CD2 3.97Å; V950-L966 HydrophobicContact CG2-CG 4.41Å |
| 951 | T | 90.2 | Very high | 87.3 | Confident | 27 Ų | 27 | 36.8 Ų | 36.8 | 17% | 0.166 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.5 | -55.5 | 176.8 | -64.2 | 0 | 0 | 0 | 0 | 110.7 | Q947 H948 H949 L953 T954 L955 E1017 | Q947-T951 PolarHBondContact O-N 3.28Å; Q947-T951 PolarHBondContact O-OG1 2.97Å; Q947-T951 VanDerWaalsContact O-OG1 3.09Å; H948-T951 WeakPolarHBondContact O-CB 3.46Å; H948-T951 PolarHBondContact O-N 3.05Å; H949-T951 VanDerWaalsContact C-N 3.31Å; H949-T951 PolarHBondContact O-N 3.02Å; T951-L953 PolarHBondContact O-N 2.79Å; T951-T954 WeakPolarHBondContact O-CB 3.24Å; T951-T954 PolarHBondContact O-N 2.96Å; T951-T954 VanDerWaalsContact O-N 3.16Å; T951-L955 HydrophobicContact CG2-CD1 3.98Å; T951-L955 HydrophobicContact CG2-CG 4.45Å; T951-L955 VanDerWaalsContact O-CG 3.29Å; T951-L955 WeakPolarHBondContact O-CG 3.37Å; T951-L955 PolarHBondContact O-N 3.43Å; T951-E1017 VanDerWaalsContact CA-OE1 3.25Å; T951-E1017 WeakPolarHBondContact CA-OE1 3.49Å; T951-E1017 WeakPolarHBondContact CB-OE1 3.16Å; T951-E1017 HydrophobicContact CG2-CG 4.18Å; T951-E1017 WeakPolarHBondContact CG2-OE1 3.46Å; T951-E1017 PolarHBondContact OG1-OE1 3.48Å |
| 952 | T | 89.7 | Confident | 87.8 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | -177.7 | -58.6 | 0 | 0 | 0 | 0 | 112.3 | H948 H949 L955 L956 W1043 | H948-T952 PolarHBondContact O-N 3.25Å; H948-T952 PolarHBondContact O-OG1 2.99Å; H949-T952 PolarHBondContact O-N 2.91Å; T952-L955 PolarHBondContact O-N 2.67Å; T952-L956 HydrophobicContact CG2-CD1 4.12Å; T952-L956 WeakPolarHBondContact O-CG 3.47Å; T952-L956 PolarHBondContact O-N 2.67Å; T952-W1043 HydrophobicContact CG2-CH2 3.97Å; T952-W1043 HydrophobicContact CG2-CZ2 3.83Å |
| 953 | L | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.2 | -36 | 177.9 | -71 | 172 | 0 | 0 | 0 | 112.6 | F342 C933 F938 H949 T951 L955 L956 G957 E958 T961 V962 M965 | F342-L953 HydrophobicContact CD1-CD2 4.22Å; F342-L953 HydrophobicContact CE1-CD2 3.63Å; F342-L953 HydrophobicContact CZ-CD2 4.04Å; C933-L953 HydrophobicContact CB-CD2 3.89Å; F938-L953 HydrophobicContact CE1-CD1 4.13Å; F938-L953 HydrophobicContact CZ-CD1 3.82Å; H949-L953 VanDerWaalsContact O-CB 3.28Å; H949-L953 WeakPolarHBondContact O-CB 3.39Å; H949-L953 VanDerWaalsContact O-CG 3.29Å; H949-L953 WeakPolarHBondContact O-CG 3.48Å; H949-L953 PolarHBondContact O-N 3.44Å; T951-L953 PolarHBondContact O-N 2.79Å; L953-L955 VanDerWaalsContact C-N 3.28Å; L953-L955 PolarHBondContact O-N 3.15Å; L953-L956 HydrophobicContact CD2-CD1 4.43Å; L953-L956 PolarHBondContact O-N 2.95Å; L953-G957 PolarHBondContact O-N 2.96Å; L953-E958 HydrophobicContact CB-CB 4.33Å; L953-E958 HydrophobicContact CD2-CB 4.15Å; L953-E958 HydrophobicContact CD2-CG 4.13Å; L953-E958 PolarHBondContact O-N 3.41Å; L953-T961 HydrophobicContact CD1-CG2 4.23Å; L953-V962 HydrophobicContact CB-CG2 3.48Å; L953-V962 VanDerWaalsContact CB-CG2 3.48Å; L953-M965 HydrophobicContact CD1-CE 4.22Å; L953-M965 HydrophobicContact CD1-SD 3.54Å; L953-M965 VanDerWaalsContact CD1-SD 3.54Å |
| 954 | T | 90 | Very high | 88.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -43.2 | 172.8 | -59 | 0 | 0 | 0 | 0 | 109.9 | V950 T951 G957 Y959 L986 | V950-T954 VanDerWaalsContact O-CB 3.23Å; V950-T954 WeakPolarHBondContact O-CB 3.43Å; V950-T954 PolarHBondContact O-N 2.8Å; V950-T954 PolarHBondContact O-OG1 2.79Å; T951-T954 WeakPolarHBondContact O-CB 3.24Å; T951-T954 PolarHBondContact O-N 2.96Å; T951-T954 VanDerWaalsContact O-N 3.16Å; T954-G957 PolarHBondContact O-N 3.42Å; T954-Y959 HydrophobicContact CG2-CE1 4.14Å; T954-L986 HydrophobicContact CG2-CD2 4.24Å |
| 955 | L | 89 | Confident | 88.6 | Confident | 18 Ų | 18 | 31.6 Ų | 31.6 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 178.8 | -62.2 | 176 | 0 | 0 | 0 | 111.9 | T951 T952 L953 G957 I1016 E1017 R1020 W1043 L1044 C1048 | T951-L955 HydrophobicContact CG2-CD1 3.98Å; T951-L955 HydrophobicContact CG2-CG 4.45Å; T951-L955 VanDerWaalsContact O-CG 3.29Å; T951-L955 WeakPolarHBondContact O-CG 3.37Å; T951-L955 PolarHBondContact O-N 3.43Å; T952-L955 PolarHBondContact O-N 2.67Å; L953-L955 VanDerWaalsContact C-N 3.28Å; L953-L955 PolarHBondContact O-N 3.15Å; L955-G957 PolarHBondContact O-N 3.34Å; L955-G957 VanDerWaalsContact O-N 3.17Å; L955-I1016 HydrophobicContact CD2-CG2 4.26Å; L955-E1017 HydrophobicContact CD2-CG 4.21Å; L955-R1020 HydrophobicContact CD2-CB 3.87Å; L955-R1020 HydrophobicContact CD2-CG 3.92Å; L955-R1020 PolarHBondContact O-NE 3.12Å; L955-R1020 VanDerWaalsContact O-NE 3.1Å; L955-W1043 HydrophobicContact CB-CH2 3.84Å; L955-W1043 HydrophobicContact CB-CZ3 3.62Å; L955-W1043 HydrophobicContact CD1-CH2 4.37Å; L955-W1043 HydrophobicContact CD1-CZ3 3.69Å; L955-W1043 HydrophobicContact CG-CZ3 4.3Å; L955-L1044 HydrophobicContact CB-CD1 4.09Å; L955-L1044 HydrophobicContact CD1-CD1 4.19Å; L955-L1044 HydrophobicContact CD2-CD1 3.77Å; L955-L1044 HydrophobicContact CG-CD1 4.21Å; L955-C1048 PolarHBondContact O-SG 3.35Å |
| 956 | L | 88.2 | Confident | 88.6 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -14.8 | 172.4 | -72.5 | 167.8 | 0 | 0 | 0 | 113.5 | E929 T952 L953 E958 W1043 A1047 | E929-L956 HydrophobicContact CB-CD2 4.12Å; T952-L956 HydrophobicContact CG2-CD1 4.12Å; T952-L956 WeakPolarHBondContact O-CG 3.47Å; T952-L956 PolarHBondContact O-N 2.67Å; L953-L956 HydrophobicContact CD2-CD1 4.43Å; L953-L956 PolarHBondContact O-N 2.95Å; L956-E958 HydrophobicContact CB-CG 4.36Å; L956-W1043 HydrophobicContact CD2-CZ2 4.3Å; L956-W1043 HydrophobicContact CG-CH2 4.23Å; L956-W1043 HydrophobicContact CG-CZ2 4.28Å; L956-A1047 HydrophobicContact CD2-CB 3.92Å |
| 957 | G | 86.5 | Confident | 88.5 | Confident | 25 Ų | 25 | 34.6 Ų | 34.6 | 26% | 0.258 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 16 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L953 T954 L955 Y959 | L953-G957 PolarHBondContact O-N 2.96Å; T954-G957 PolarHBondContact O-N 3.42Å; L955-G957 PolarHBondContact O-N 3.34Å; L955-G957 VanDerWaalsContact O-N 3.17Å; G957-Y959 PolarHBondContact O-N 2.82Å |
| 958 | E | 88.1 | Confident | 88.3 | Confident | 36 Ų | 36 | 37.4 Ų | 37.4 | 17% | 0.168 | 19% | 0.189 | C | C | . | . | trans | -80.9 | 56.5 | 177.8 | -61.3 | -59.3 | 156.7 | 0 | 0 | 111.5 | F342 R930 L953 L956 E960 T961 V962 | F342-E958 HydrophobicContact CE2-CG 4.09Å; F342-E958 HydrophobicContact CZ-CG 4.08Å; R930-E958 IonicContact CZ-OE1 3.28Å; R930-E958 IonicContact NE-OE1 2.9Å; R930-E958 PolarHBondContact NE-OE1 3.14Å; R930-E958 IonicContact NH2-OE1 2.7Å; R930-E958 PolarHBondContact NH2-OE1 2.99Å; L953-E958 HydrophobicContact CB-CB 4.33Å; L953-E958 HydrophobicContact CD2-CB 4.15Å; L953-E958 HydrophobicContact CD2-CG 4.13Å; L953-E958 PolarHBondContact O-N 3.41Å; L956-E958 HydrophobicContact CB-CG 4.36Å; E958-E960 VanDerWaalsContact C-N 3.34Å; E958-E960 PolarHBondContact O-N 2.81Å; E958-T961 PolarHBondContact O-N 2.63Å; E958-V962 WeakPolarHBondContact O-CG2 3.39Å; E958-V962 PolarHBondContact O-N 2.98Å | ||
| 959 | Y | 89 | Confident | 87.7 | Confident | 42 Ų | 42 | 34.9 Ų | 34.9 | 17% | 0.165 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -36.4 | -169.9 | -58.5 | -54.6 | 0 | 0 | 0 | 113.5 | T954 G957 V962 I963 L986 | T954-Y959 HydrophobicContact CG2-CE1 4.14Å; G957-Y959 PolarHBondContact O-N 2.82Å; Y959-V962 PolarHBondContact O-N 2.82Å; Y959-I963 WeakPolarHBondContact O-CB 3.14Å; Y959-I963 WeakPolarHBondContact O-CD1 3.33Å; Y959-I963 WeakPolarHBondContact O-CG1 3.42Å; Y959-I963 PolarHBondContact O-N 3.01Å; Y959-L986 HydrophobicContact CD1-CD2 3.82Å; Y959-L986 HydrophobicContact CE1-CD2 3.95Å |
| 960 | E | 89.3 | Confident | 87.1 | Confident | 170 Ų | 170 | 39 Ų | 39 | 79% | 0.794 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -61.1 | -47.3 | 178.4 | -68.9 | -173.7 | 172 | 0 | 0 | 111.5 | E958 V962 I963 Q964 | E958-E960 VanDerWaalsContact C-N 3.34Å; E958-E960 PolarHBondContact O-N 2.81Å; E960-V962 PolarHBondContact O-N 3.44Å; E960-I963 PolarHBondContact O-N 3.17Å; E960-Q964 WeakPolarHBondContact O-CB 3.46Å; E960-Q964 PolarHBondContact O-N 2.9Å |
| 961 | T | 88.8 | Confident | 86.6 | Confident | 27 Ų | 27 | 43.3 Ų | 43.3 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 176.2 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | F342 L953 E958 Q964 M965 | F342-T961 HydrophobicContact CB-CG2 3.48Å; F342-T961 VanDerWaalsContact CB-CG2 3.48Å; F342-T961 HydrophobicContact CD1-CG2 4.31Å; F342-T961 HydrophobicContact CD2-CG2 4.3Å; F342-T961 HydrophobicContact CG-CG2 3.8Å; L953-T961 HydrophobicContact CD1-CG2 4.23Å; E958-T961 PolarHBondContact O-N 2.63Å; T961-Q964 PolarHBondContact O-N 2.82Å; T961-M965 HydrophobicContact CG2-SD 4.04Å; T961-M965 VanDerWaalsContact O-CG 3.27Å; T961-M965 WeakPolarHBondContact O-CG 3.43Å; T961-M965 PolarHBondContact O-N 2.72Å |
| 962 | V | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | V950 L953 E958 Y959 E960 Q964 M965 L966 L986 | V950-V962 HydrophobicContact CG1-CG1 4.04Å; L953-V962 HydrophobicContact CB-CG2 3.48Å; L953-V962 VanDerWaalsContact CB-CG2 3.48Å; E958-V962 WeakPolarHBondContact O-CG2 3.39Å; E958-V962 PolarHBondContact O-N 2.98Å; Y959-V962 PolarHBondContact O-N 2.82Å; E960-V962 PolarHBondContact O-N 3.44Å; V962-Q964 VanDerWaalsContact C-N 3.26Å; V962-Q964 PolarHBondContact O-N 3.49Å; V962-M965 PolarHBondContact O-N 2.85Å; V962-L966 HydrophobicContact CG1-CD1 3.65Å; V962-L966 HydrophobicContact CG1-CG 4.17Å; V962-L966 WeakPolarHBondContact O-CB 3.49Å; V962-L966 VanDerWaalsContact O-CG 3.27Å; V962-L966 WeakPolarHBondContact O-CG 3.5Å; V962-L966 PolarHBondContact O-N 3Å; V962-L986 HydrophobicContact CB-CD1 4.45Å; V962-L986 HydrophobicContact CG1-CD1 3.64Å |
| 963 | I | 90.1 | Very high | 85.4 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 18% | 0.179 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58 | -45.4 | 178.4 | -70.9 | 160.8 | 0 | 0 | 0 | 109.5 | Y959 E960 L966 I967 A983 L986 A987 | Y959-I963 WeakPolarHBondContact O-CB 3.14Å; Y959-I963 WeakPolarHBondContact O-CD1 3.33Å; Y959-I963 WeakPolarHBondContact O-CG1 3.42Å; Y959-I963 PolarHBondContact O-N 3.01Å; E960-I963 PolarHBondContact O-N 3.17Å; I963-L966 PolarHBondContact O-N 3.32Å; I963-I967 HydrophobicContact CG2-CD1 3.62Å; I963-I967 HydrophobicContact CG2-CG1 4.43Å; I963-I967 VanDerWaalsContact O-CG1 3.26Å; I963-I967 WeakPolarHBondContact O-CG1 3.49Å; I963-I967 PolarHBondContact O-N 3Å; I963-A983 HydrophobicContact CG2-CB 4.48Å; I963-L986 HydrophobicContact CD1-CB 4.17Å; I963-L986 HydrophobicContact CG1-CB 3.99Å; I963-A987 HydrophobicContact CD1-CB 3.99Å |
| 964 | Q | 86.9 | Confident | 84.8 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.1 | -43.8 | 178.7 | -172.3 | 160.7 | 4.8 | 0 | 0 | 112.1 | R343 E960 T961 V962 L966 I967 E968 | R343-Q964 VanDerWaalsContact NE-OE1 3.14Å; E960-Q964 WeakPolarHBondContact O-CB 3.46Å; E960-Q964 PolarHBondContact O-N 2.9Å; T961-Q964 PolarHBondContact O-N 2.82Å; V962-Q964 VanDerWaalsContact C-N 3.26Å; V962-Q964 PolarHBondContact O-N 3.49Å; Q964-L966 VanDerWaalsContact C-N 3.34Å; Q964-L966 PolarHBondContact O-N 2.92Å; Q964-I967 PolarHBondContact O-N 2.77Å; Q964-E968 HydrophobicContact CG-CG 4.38Å; Q964-E968 VanDerWaalsContact CG-OE1 3.23Å; Q964-E968 WeakPolarHBondContact CG-OE1 3.28Å; Q964-E968 PolarHBondContact NE2-OE1 2.94Å; Q964-E968 WeakPolarHBondContact O-CB 3.23Å; Q964-E968 WeakPolarHBondContact O-CG 3.38Å; Q964-E968 PolarHBondContact O-N 3.08Å |
| 965 | M | 85.6 | Confident | 84.3 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 174.7 | -73 | 169.8 | 60.5 | 0 | 0 | 112.7 | F938 L946 H949 V950 L953 T961 V962 S969 | F938-M965 HydrophobicContact CB-CE 4.29Å; F938-M965 HydrophobicContact CD1-CE 3.52Å; F938-M965 HydrophobicContact CD1-SD 4.1Å; F938-M965 HydrophobicContact CD2-CE 4.37Å; F938-M965 HydrophobicContact CD2-CG 4.33Å; F938-M965 HydrophobicContact CD2-SD 3.98Å; F938-M965 HydrophobicContact CE1-CE 3.9Å; F938-M965 HydrophobicContact CE1-SD 4.17Å; F938-M965 HydrophobicContact CE2-SD 4.04Å; F938-M965 HydrophobicContact CG-CE 3.79Å; F938-M965 HydrophobicContact CG-CG 4.44Å; F938-M965 HydrophobicContact CG-SD 4.02Å; F938-M965 HydrophobicContact CZ-CE 4.47Å; F938-M965 HydrophobicContact CZ-SD 4.14Å; L946-M965 HydrophobicContact CD1-CE 3.47Å; L946-M965 VanDerWaalsContact CD1-CE 3.47Å; L946-M965 HydrophobicContact CG-CE 4.43Å; H949-M965 HydrophobicContact CB-CE 4.26Å; V950-M965 HydrophobicContact CG2-CE 3.85Å; L953-M965 HydrophobicContact CD1-CE 4.22Å; L953-M965 HydrophobicContact CD1-SD 3.54Å; L953-M965 VanDerWaalsContact CD1-SD 3.54Å; T961-M965 HydrophobicContact CG2-SD 4.04Å; T961-M965 VanDerWaalsContact O-CG 3.27Å; T961-M965 WeakPolarHBondContact O-CG 3.43Å; T961-M965 PolarHBondContact O-N 2.72Å; V962-M965 PolarHBondContact O-N 2.85Å; M965-S969 PolarHBondContact O-N 2.85Å; M965-S969 PolarHBondContact O-OG 2.82Å |
| 966 | L | 86.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 179.9 | -68.8 | 170.7 | 0 | 0 | 0 | 111.7 | V950 V962 I963 Q964 S969 D979 K982 A983 L986 | V950-L966 HydrophobicContact CG1-CD1 4.48Å; V950-L966 HydrophobicContact CG1-CD2 4.02Å; V950-L966 HydrophobicContact CG1-CG 4.47Å; V950-L966 HydrophobicContact CG2-CD2 3.97Å; V950-L966 HydrophobicContact CG2-CG 4.41Å; V962-L966 HydrophobicContact CG1-CD1 3.65Å; V962-L966 HydrophobicContact CG1-CG 4.17Å; V962-L966 WeakPolarHBondContact O-CB 3.49Å; V962-L966 VanDerWaalsContact O-CG 3.27Å; V962-L966 WeakPolarHBondContact O-CG 3.5Å; V962-L966 PolarHBondContact O-N 3Å; I963-L966 PolarHBondContact O-N 3.32Å; Q964-L966 VanDerWaalsContact C-N 3.34Å; Q964-L966 PolarHBondContact O-N 2.92Å; L966-S969 WeakPolarHBondContact O-CB 3.48Å; L966-S969 PolarHBondContact O-N 2.89Å; L966-S969 PolarHBondContact O-OG 3.41Å; L966-D979 HydrophobicContact CD2-CB 3.66Å; L966-K982 HydrophobicContact CD1-CB 4.24Å; L966-K982 HydrophobicContact CD1-CD 4.26Å; L966-K982 HydrophobicContact CD1-CG 4.18Å; L966-A983 HydrophobicContact CB-CB 3.96Å; L966-A983 HydrophobicContact CD1-CB 4.13Å; L966-L986 HydrophobicContact CD1-CD1 4.45Å |
| 967 | I | 85.1 | Confident | 84 | Confident | 106 Ų | 106 | 67.2 Ų | 67.2 | 54% | 0.544 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.5 | -38.4 | 176.8 | -67.2 | 168.2 | 0 | 0 | 0 | 111.7 | I963 Q964 S969 A983 | I963-I967 HydrophobicContact CG2-CD1 3.62Å; I963-I967 HydrophobicContact CG2-CG1 4.43Å; I963-I967 VanDerWaalsContact O-CG1 3.26Å; I963-I967 WeakPolarHBondContact O-CG1 3.49Å; I963-I967 PolarHBondContact O-N 3Å; Q964-I967 PolarHBondContact O-N 2.77Å; I967-S969 PolarHBondContact O-N 2.94Å; I967-A983 HydrophobicContact CG1-CB 4.42Å |
| 968 | E | 82.3 | Confident | 84 | Confident | 121 Ų | 121 | 69.4 Ų | 69.4 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -0.7 | 176.6 | -69 | 178.1 | -167.2 | 0 | 0 | 112.7 | Q964 | Q964-E968 HydrophobicContact CG-CG 4.38Å; Q964-E968 VanDerWaalsContact CG-OE1 3.23Å; Q964-E968 WeakPolarHBondContact CG-OE1 3.28Å; Q964-E968 PolarHBondContact NE2-OE1 2.94Å; Q964-E968 WeakPolarHBondContact O-CB 3.23Å; Q964-E968 WeakPolarHBondContact O-CG 3.38Å; Q964-E968 PolarHBondContact O-N 3.08Å |
| 969 | S | 77.8 | Confident | 83.9 | Confident | 10 Ų | 10 | 68 Ų | 68 | 7% | 0.07 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -64.2 | 138.7 | 175.7 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | M965 L966 I967 S971 Y976 | M965-S969 PolarHBondContact O-N 2.85Å; M965-S969 PolarHBondContact O-OG 2.82Å; L966-S969 WeakPolarHBondContact O-CB 3.48Å; L966-S969 PolarHBondContact O-N 2.89Å; L966-S969 PolarHBondContact O-OG 3.41Å; I967-S969 PolarHBondContact O-N 2.94Å; S969-S971 PolarHBondContact O-N 3.09Å; S969-Y976 WeakPolarHBondContact O-CE2 3.41Å |
| 970 | D | 76.2 | Confident | 83.9 | Confident | 94 Ų | 94 | 67.6 Ų | 67.6 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | trans | -64.5 | 127.3 | -178.9 | -162.6 | -3.1 | 0 | 0 | 0 | 111.4 | S972 R973 | D970-S972 VanDerWaalsContact CG-OG 3.27Å; D970-S972 PolarHBondContact O-N 3.24Å; D970-S972 PolarHBondContact OD2-OG 2.8Å; D970-S972 VanDerWaalsContact OD2-OG 3.11Å; D970-R973 HydrophobicContact CB-CG 4.45Å; D970-R973 WeakPolarHBondContact O-CB 3.48Å; D970-R973 PolarHBondContact O-N 3.36Å | ||
| 971 | S | 79.1 | Confident | 83.9 | Confident | 90 Ų | 90 | 64 Ų | 64 | 63% | 0.629 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.6 | -177 | 63.3 | 0 | 0 | 0 | 0 | 114 | S969 R973 | S969-S971 PolarHBondContact O-N 3.09Å; S971-R973 PolarHBondContact O-N 3Å |
| 972 | S | 78.7 | Confident | 83.9 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.7 | 176 | 64.6 | 0 | 0 | 0 | 0 | 113.8 | D970 | D970-S972 VanDerWaalsContact CG-OG 3.27Å; D970-S972 PolarHBondContact O-N 3.24Å; D970-S972 PolarHBondContact OD2-OG 2.8Å; D970-S972 VanDerWaalsContact OD2-OG 3.11Å |
| 973 | R | 75.8 | Confident | 83.8 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 26% | 0.26 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -78 | 139.2 | -175.4 | -69.1 | -179.4 | 176.7 | 179.5 | -1.9 | 112.2 | D970 S971 S975 Y976 | D970-R973 HydrophobicContact CB-CG 4.45Å; D970-R973 WeakPolarHBondContact O-CB 3.48Å; D970-R973 PolarHBondContact O-N 3.36Å; S971-R973 PolarHBondContact O-N 3Å; R973-S975 PolarHBondContact O-N 3.31Å; R973-Y976 WeakPolarHBondContact O-CB 3.37Å; R973-Y976 PolarHBondContact O-N 3.09Å |
| 974 | P | 77.4 | Confident | 83.8 | Confident | 140 Ų | 140 | 66.9 Ų | 66.9 | 91% | 0.909 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26.9 | 178.1 | 8.9 | -10.5 | 0 | 0 | 0 | 113.4 | Y976 | P974-Y976 VanDerWaalsContact C-N 3.32Š|
| 975 | S | 80.8 | Confident | 83.9 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 30% | 0.301 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.7 | 176.9 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | R973 F977 S978 D979 | R973-S975 PolarHBondContact O-N 3.31Å; S975-F977 VanDerWaalsContact C-N 3.26Å; S975-F977 PolarHBondContact O-N 3.4Å; S975-S978 CarbonylContact O-C 3.58Å; S975-S978 WeakPolarHBondContact O-CA 3.46Å; S975-S978 WeakPolarHBondContact O-CB 3.24Å; S975-S978 PolarHBondContact O-N 3.43Å; S975-D979 WeakPolarHBondContact CB-OD2 3.5Å; S975-D979 WeakPolarHBondContact O-CB 3.47Å; S975-D979 PolarHBondContact O-N 3.47Å; S975-D979 PolarHBondContact OG-OD2 2.87Å |
| 976 | Y | 83.1 | Confident | 84 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 34% | 0.337 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -52.5 | -40.2 | -169.7 | 179.2 | -99.9 | 0 | 0 | 0 | 113.7 | S969 R973 P974 D979 S980 | S969-Y976 WeakPolarHBondContact O-CE2 3.41Å; R973-Y976 WeakPolarHBondContact O-CB 3.37Å; R973-Y976 PolarHBondContact O-N 3.09Å; P974-Y976 VanDerWaalsContact C-N 3.32Å; Y976-D979 PolarHBondContact O-N 2.8Å; Y976-S980 VanDerWaalsContact O-CB 3.29Å; Y976-S980 WeakPolarHBondContact O-CB 3.38Å; Y976-S980 PolarHBondContact O-N 2.8Å; Y976-S980 PolarHBondContact O-OG 2.87Å |
| 977 | F | 86.4 | Confident | 84 | Confident | 149 Ų | 149 | 69.4 Ų | 69.4 | 65% | 0.654 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.4 | -45.7 | 176.9 | -177.2 | -105.1 | 0 | 0 | 0 | 112.3 | S975 D979 S980 L981 | S975-F977 VanDerWaalsContact C-N 3.26Å; S975-F977 PolarHBondContact O-N 3.4Å; F977-D979 VanDerWaalsContact C-N 3.33Å; F977-S980 PolarHBondContact O-N 2.76Å; F977-L981 HydrophobicContact CD1-CD1 3.92Å; F977-L981 HydrophobicContact CE1-CD1 3.39Å; F977-L981 HydrophobicContact CE1-CG 4.2Å; F977-L981 HydrophobicContact CZ-CD1 3.74Å; F977-L981 HydrophobicContact CZ-CD2 4.46Å; F977-L981 HydrophobicContact CZ-CG 4.21Å; F977-L981 WeakPolarHBondContact O-CG 3.26Å; F977-L981 PolarHBondContact O-N 3.49Å |
| 978 | S | 87 | Confident | 84 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.6 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | S975 L981 K982 | S975-S978 CarbonylContact O-C 3.58Å; S975-S978 WeakPolarHBondContact O-CA 3.46Å; S975-S978 WeakPolarHBondContact O-CB 3.24Å; S975-S978 PolarHBondContact O-N 3.43Å; S978-L981 PolarHBondContact O-N 2.78Å; S978-K982 WeakPolarHBondContact O-CB 3.5Å; S978-K982 PolarHBondContact O-N 3.3Å |
| 979 | D | 86.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.027 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | -179.3 | -65.5 | -17 | 0 | 0 | 0 | 111.1 | L966 S975 Y976 F977 K982 A983 | L966-D979 HydrophobicContact CD2-CB 3.66Å; S975-D979 WeakPolarHBondContact CB-OD2 3.5Å; S975-D979 WeakPolarHBondContact O-CB 3.47Å; S975-D979 PolarHBondContact O-N 3.47Å; S975-D979 PolarHBondContact OG-OD2 2.87Å; Y976-D979 PolarHBondContact O-N 2.8Å; F977-D979 VanDerWaalsContact C-N 3.33Å; D979-K982 PolarHBondContact O-N 2.64Å; D979-A983 WeakPolarHBondContact O-CB 3.43Å; D979-A983 PolarHBondContact O-N 3.43Å |
| 980 | S | 88.1 | Confident | 84 | Confident | 34 Ų | 34 | 65.3 Ų | 65.3 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 174.4 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | Y976 F977 K982 A983 C984 | Y976-S980 VanDerWaalsContact O-CB 3.29Å; Y976-S980 WeakPolarHBondContact O-CB 3.38Å; Y976-S980 PolarHBondContact O-N 2.8Å; Y976-S980 PolarHBondContact O-OG 2.87Å; F977-S980 PolarHBondContact O-N 2.76Å; S980-K982 VanDerWaalsContact C-N 3.33Å; S980-K982 PolarHBondContact O-N 2.94Å; S980-A983 WeakPolarHBondContact O-CB 3.48Å; S980-A983 PolarHBondContact O-N 3.45Å; S980-C984 PolarHBondContact O-N 2.95Å; S980-C984 PolarHBondContact O-SG 2.74Å |
| 981 | L | 89.2 | Confident | 84.2 | Confident | 95 Ų | 95 | 66 Ų | 66 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 175.8 | -72.4 | 178.6 | 0 | 0 | 0 | 111.8 | F977 S978 C984 L985 | F977-L981 HydrophobicContact CD1-CD1 3.92Å; F977-L981 HydrophobicContact CE1-CD1 3.39Å; F977-L981 HydrophobicContact CE1-CG 4.2Å; F977-L981 HydrophobicContact CZ-CD1 3.74Å; F977-L981 HydrophobicContact CZ-CD2 4.46Å; F977-L981 HydrophobicContact CZ-CG 4.21Å; F977-L981 WeakPolarHBondContact O-CG 3.26Å; F977-L981 PolarHBondContact O-N 3.49Å; S978-L981 PolarHBondContact O-N 2.78Å; L981-C984 PolarHBondContact O-N 3.15Å; L981-L985 WeakPolarHBondContact O-CB 3.2Å; L981-L985 PolarHBondContact O-N 3.28Å |
| 982 | K | 88.4 | Confident | 84.6 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 14% | 0.139 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 174.7 | -171.3 | 177.3 | -175.5 | 177.1 | 0 | 110.8 | L966 S978 D979 S980 C984 L985 L986 E1017 | L966-K982 HydrophobicContact CD1-CB 4.24Å; L966-K982 HydrophobicContact CD1-CD 4.26Å; L966-K982 HydrophobicContact CD1-CG 4.18Å; S978-K982 WeakPolarHBondContact O-CB 3.5Å; S978-K982 PolarHBondContact O-N 3.3Å; D979-K982 PolarHBondContact O-N 2.64Å; S980-K982 VanDerWaalsContact C-N 3.33Å; S980-K982 PolarHBondContact O-N 2.94Å; K982-C984 PolarHBondContact O-N 3.16Å; K982-L985 PolarHBondContact O-N 3.09Å; K982-L986 HydrophobicContact CG-CD1 4.22Å; K982-L986 WeakPolarHBondContact O-CB 3.28Å; K982-L986 VanDerWaalsContact O-CG 3.29Å; K982-L986 WeakPolarHBondContact O-CG 3.36Å; K982-L986 PolarHBondContact O-N 2.97Å; K982-E1017 WeakPolarHBondContact CE-OE2 3.48Å; K982-E1017 IonicContact NZ-OE1 3.2Å; K982-E1017 PolarHBondContact NZ-OE1 3.25Å; K982-E1017 IonicContact NZ-OE2 2.6Å; K982-E1017 PolarHBondContact NZ-OE2 2.82Å |
| 983 | A | 88.8 | Confident | 85 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.033 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I963 L966 I967 D979 S980 L985 L986 A987 | I963-A983 HydrophobicContact CG2-CB 4.48Å; L966-A983 HydrophobicContact CB-CB 3.96Å; L966-A983 HydrophobicContact CD1-CB 4.13Å; I967-A983 HydrophobicContact CG1-CB 4.42Å; D979-A983 WeakPolarHBondContact O-CB 3.43Å; D979-A983 PolarHBondContact O-N 3.43Å; S980-A983 WeakPolarHBondContact O-CB 3.48Å; S980-A983 PolarHBondContact O-N 3.45Å; A983-L985 PolarHBondContact O-N 3.09Å; A983-L986 PolarHBondContact O-N 2.87Å; A983-A987 WeakPolarHBondContact O-CB 3.45Å; A983-A987 PolarHBondContact O-N 2.91Å |
| 984 | C | 89.9 | Confident | 85.6 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 58% | 0.581 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | 174.6 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | S980 L981 K982 A987 S988 | S980-C984 PolarHBondContact O-N 2.95Å; S980-C984 PolarHBondContact O-SG 2.74Å; L981-C984 PolarHBondContact O-N 3.15Å; K982-C984 PolarHBondContact O-N 3.16Å; C984-A987 PolarHBondContact O-N 3.23Å; C984-S988 WeakPolarHBondContact O-CB 3.36Å; C984-S988 PolarHBondContact O-N 2.87Å |
| 985 | L | 88.9 | Confident | 86.1 | Confident | 55 Ų | 55 | 61.4 Ų | 61.4 | 29% | 0.288 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 177.9 | -177.1 | 68.8 | 0 | 0 | 0 | 111.4 | L981 K982 A983 A987 S988 I999 L1018 | L981-L985 WeakPolarHBondContact O-CB 3.2Å; L981-L985 PolarHBondContact O-N 3.28Å; K982-L985 PolarHBondContact O-N 3.09Å; A983-L985 PolarHBondContact O-N 3.09Å; L985-A987 VanDerWaalsContact C-N 3.32Å; L985-A987 PolarHBondContact O-N 3.46Å; L985-S988 WeakPolarHBondContact O-CB 3.41Å; L985-S988 PolarHBondContact O-N 2.99Å; L985-S988 PolarHBondContact O-OG 3.42Å; L985-I999 HydrophobicContact CD1-CD1 4.11Å; L985-L1018 HydrophobicContact CD2-CD2 3.47Å; L985-L1018 VanDerWaalsContact CD2-CD2 3.47Å |
| 986 | L | 87.8 | Confident | 86.5 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.9 | -33.4 | 179.4 | -69 | 176.3 | 0 | 0 | 0 | 112.6 | T954 Y959 V962 I963 L966 K982 A983 S988 R990 | T954-L986 HydrophobicContact CG2-CD2 4.24Å; Y959-L986 HydrophobicContact CD1-CD2 3.82Å; Y959-L986 HydrophobicContact CE1-CD2 3.95Å; V962-L986 HydrophobicContact CB-CD1 4.45Å; V962-L986 HydrophobicContact CG1-CD1 3.64Å; I963-L986 HydrophobicContact CD1-CB 4.17Å; I963-L986 HydrophobicContact CG1-CB 3.99Å; L966-L986 HydrophobicContact CD1-CD1 4.45Å; K982-L986 HydrophobicContact CG-CD1 4.22Å; K982-L986 WeakPolarHBondContact O-CB 3.28Å; K982-L986 VanDerWaalsContact O-CG 3.29Å; K982-L986 WeakPolarHBondContact O-CG 3.36Å; K982-L986 PolarHBondContact O-N 2.97Å; A983-L986 PolarHBondContact O-N 2.87Å; L986-S988 VanDerWaalsContact C-N 3.34Å; L986-R990 PolarHBondContact O-NH2 2.98Å; L986-R990 VanDerWaalsContact O-NH2 3.08Å |
| 987 | A | 87.1 | Confident | 86.9 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -74.9 | -21.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I963 A983 C984 L985 | I963-A987 HydrophobicContact CD1-CB 3.99Å; A983-A987 WeakPolarHBondContact O-CB 3.45Å; A983-A987 PolarHBondContact O-N 2.91Å; C984-A987 PolarHBondContact O-N 3.23Å; L985-A987 VanDerWaalsContact C-N 3.32Å; L985-A987 PolarHBondContact O-N 3.46Å |
| 988 | S | 85.3 | Confident | 87.2 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -71.8 | 153.7 | -176.7 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | C984 L985 L986 R990 | C984-S988 WeakPolarHBondContact O-CB 3.36Å; C984-S988 PolarHBondContact O-N 2.87Å; L985-S988 WeakPolarHBondContact O-CB 3.41Å; L985-S988 PolarHBondContact O-N 2.99Å; L985-S988 PolarHBondContact O-OG 3.42Å; L986-S988 VanDerWaalsContact C-N 3.34Å; S988-R990 PolarHBondContact O-N 2.7Å |
| 989 | G | 76.2 | Confident | 87.5 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 66% | 0.66 | 35% | 0.347 | S | S | * | . | trans | -68.9 | 97.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S991 | G989-S991 VanDerWaalsContact C-N 3.29Å; G989-S991 PolarHBondContact O-N 2.98Å | ||
| 990 | R | 82.9 | Confident | 87.8 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 15% | 0.147 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 13.6 | -177.1 | -66.6 | 167 | -73.4 | 165.4 | -9.8 | 114.4 | L986 S988 Q996 I999 S1021 | L986-R990 PolarHBondContact O-NH2 2.98Å; L986-R990 VanDerWaalsContact O-NH2 3.08Å; S988-R990 PolarHBondContact O-N 2.7Å; R990-Q996 WeakPolarHBondContact O-CG 3.48Å; R990-Q996 PolarHBondContact O-NE2 3.42Å; R990-Q996 VanDerWaalsContact O-NE2 3.09Å; R990-I999 HydrophobicContact CG-CD1 4.28Å; R990-S1021 WeakPolarHBondContact CD-O 3.45Å; R990-S1021 PolarHBondContact NH1-O 2.85Å |
| 991 | S | 79.4 | Confident | 88 | Confident | 107 Ų | 107 | 61.7 Ų | 61.7 | 75% | 0.748 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -18.4 | -175.3 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | G989 | G989-S991 VanDerWaalsContact C-N 3.29Å; G989-S991 PolarHBondContact O-N 2.98Å |
| 992 | S | 88.7 | Confident | 88.2 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -64.3 | 136.7 | 177.8 | 132.4 | 0 | 0 | 0 | 0 | 110.9 | E994 C995 Q996 | S992-E994 VanDerWaalsContact C-N 3.3Å; S992-E994 PolarHBondContact O-N 3.36Å; S992-E994 PolarHBondContact OG-N 3.4Å; S992-E994 PolarHBondContact OG-OE2 3.23Å; S992-C995 WeakPolarHBondContact O-CB 3.49Å; S992-C995 PolarHBondContact O-N 3.41Å; S992-C995 WeakPolarHBondContact OG-CB 2.97Å; S992-C995 PolarHBondContact OG-N 3.22Å; S992-Q996 WeakPolarHBondContact O-CB 3.32Å; S992-Q996 VanDerWaalsContact O-CG 3.27Å; S992-Q996 WeakPolarHBondContact O-CG 3.41Å; S992-Q996 PolarHBondContact O-N 2.96Å |
| 993 | P | 87.2 | Confident | 88.5 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 60% | 0.597 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.3 | -32.9 | 178.5 | 23.1 | -29.9 | 0 | 0 | 0 | 112.8 | S997 | P993-S997 WeakPolarHBondContact O-CB 3.49Å; P993-S997 PolarHBondContact O-N 2.77Å; P993-S997 PolarHBondContact O-OG 2.97Å |
| 994 | E | 88.5 | Confident | 88.8 | Confident | 126 Ų | 126 | 60.2 Ų | 60.2 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.5 | -39.5 | 174.8 | -54.2 | 77.9 | -166.2 | 0 | 0 | 111.8 | S992 S997 T998 | S992-E994 VanDerWaalsContact C-N 3.3Å; S992-E994 PolarHBondContact O-N 3.36Å; S992-E994 PolarHBondContact OG-N 3.4Å; S992-E994 PolarHBondContact OG-OE2 3.23Å; E994-S997 PolarHBondContact O-OG 2.89Å; E994-T998 WeakPolarHBondContact O-CB 3.37Å; E994-T998 PolarHBondContact O-N 2.86Å; E994-T998 VanDerWaalsContact O-N 3.07Å; E994-T998 PolarHBondContact O-OG1 2.89Å |
| 995 | C | 87.5 | Confident | 89 | Confident | 33 Ų | 33 | 61 Ų | 61 | 22% | 0.223 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | S992 S997 T998 I999 | S992-C995 WeakPolarHBondContact O-CB 3.49Å; S992-C995 PolarHBondContact O-N 3.41Å; S992-C995 WeakPolarHBondContact OG-CB 2.97Å; S992-C995 PolarHBondContact OG-N 3.22Å; C995-S997 PolarHBondContact O-N 3.45Å; C995-T998 PolarHBondContact O-N 3.19Å; C995-I999 WeakPolarHBondContact O-CG1 3.45Å; C995-I999 PolarHBondContact O-N 3.21Å; C995-I999 VanDerWaalsContact SG-CD1 3.59Å |
| 996 | Q | 90.2 | Very high | 89.3 | Confident | 41 Ų | 41 | 60.8 Ų | 60.8 | 19% | 0.192 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.2 | -46.1 | 176 | -74.2 | -108.1 | -20.6 | 0 | 0 | 112.5 | R990 S992 K1000 I1022 | R990-Q996 WeakPolarHBondContact O-CG 3.48Å; R990-Q996 PolarHBondContact O-NE2 3.42Å; R990-Q996 VanDerWaalsContact O-NE2 3.09Å; S992-Q996 WeakPolarHBondContact O-CB 3.32Å; S992-Q996 VanDerWaalsContact O-CG 3.27Å; S992-Q996 WeakPolarHBondContact O-CG 3.41Å; S992-Q996 PolarHBondContact O-N 2.96Å; Q996-K1000 VanDerWaalsContact O-CB 3.26Å; Q996-K1000 WeakPolarHBondContact O-CB 3.32Å; Q996-K1000 PolarHBondContact O-N 3.44Å; Q996-I1022 PolarHBondContact NE2-O 3.43Å; Q996-I1022 VanDerWaalsContact NE2-O 3.11Å; Q996-I1022 WeakPolarHBondContact O-CD1 3.32Å; Q996-I1022 PolarHBondContact OE1-O 3.26Å |
| 997 | S | 91.2 | Very high | 89.6 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | -179.8 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | P993 E994 C995 K1000 L1001 | P993-S997 WeakPolarHBondContact O-CB 3.49Å; P993-S997 PolarHBondContact O-N 2.77Å; P993-S997 PolarHBondContact O-OG 2.97Å; E994-S997 PolarHBondContact O-OG 2.89Å; C995-S997 PolarHBondContact O-N 3.45Å; S997-K1000 PolarHBondContact O-N 3.21Å; S997-L1001 WeakPolarHBondContact O-CB 3.43Å; S997-L1001 PolarHBondContact O-N 3.21Å |
| 998 | T | 92.7 | Very high | 89.8 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 52% | 0.521 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.6 | -49.1 | 177.8 | -55 | 0 | 0 | 0 | 0 | 111.4 | E994 C995 K1000 L1001 V1002 | E994-T998 WeakPolarHBondContact O-CB 3.37Å; E994-T998 PolarHBondContact O-N 2.86Å; E994-T998 VanDerWaalsContact O-N 3.07Å; E994-T998 PolarHBondContact O-OG1 2.89Å; C995-T998 PolarHBondContact O-N 3.19Å; T998-K1000 VanDerWaalsContact C-N 3.29Å; T998-K1000 PolarHBondContact O-N 3.19Å; T998-L1001 WeakPolarHBondContact O-CB 3.24Å; T998-L1001 PolarHBondContact O-N 3.27Å; T998-V1002 WeakPolarHBondContact O-CG2 3.31Å; T998-V1002 PolarHBondContact O-N 3.21Å |
| 999 | I | 91.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.072 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 177.7 | -66.7 | 168.4 | 0 | 0 | 0 | 110.2 | L985 R990 C995 L1001 V1002 A1003 L1018 I1022 | L985-I999 HydrophobicContact CD1-CD1 4.11Å; R990-I999 HydrophobicContact CG-CD1 4.28Å; C995-I999 WeakPolarHBondContact O-CG1 3.45Å; C995-I999 PolarHBondContact O-N 3.21Å; C995-I999 VanDerWaalsContact SG-CD1 3.59Å; I999-L1001 VanDerWaalsContact C-N 3.35Å; I999-L1001 PolarHBondContact O-N 3.21Å; I999-V1002 PolarHBondContact O-N 2.91Å; I999-A1003 WeakPolarHBondContact O-CB 3.43Å; I999-A1003 PolarHBondContact O-N 3.28Å; I999-L1018 HydrophobicContact CG2-CB 4.06Å; I999-L1018 HydrophobicContact CG2-CD2 4.33Å; I999-I1022 HydrophobicContact CB-CD1 4.43Å; I999-I1022 HydrophobicContact CB-CG2 3.83Å; I999-I1022 HydrophobicContact CD1-CG2 3.6Å; I999-I1022 HydrophobicContact CG1-CG2 4.32Å; I999-I1022 HydrophobicContact CG2-CD1 4.22Å; I999-I1022 HydrophobicContact CG2-CG1 4.39Å; I999-I1022 HydrophobicContact CG2-CG2 3.65Å |
| 1000 | K | 92.8 | Very high | 90.8 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 33% | 0.33 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 175.9 | -172.6 | 174.8 | -172.8 | 170.7 | 0 | 111.6 | Q996 S997 T998 A1003 T1004 L1019 I1022 D1027 | Q996-K1000 VanDerWaalsContact O-CB 3.26Å; Q996-K1000 WeakPolarHBondContact O-CB 3.32Å; Q996-K1000 PolarHBondContact O-N 3.44Å; S997-K1000 PolarHBondContact O-N 3.21Å; T998-K1000 VanDerWaalsContact C-N 3.29Å; T998-K1000 PolarHBondContact O-N 3.19Å; K1000-A1003 WeakPolarHBondContact O-CB 3.06Å; K1000-A1003 PolarHBondContact O-N 3.48Å; K1000-T1004 WeakPolarHBondContact O-CG2 3.25Å; K1000-T1004 PolarHBondContact O-N 2.97Å; K1000-T1004 PolarHBondContact O-OG1 3.33Å; K1000-T1004 VanDerWaalsContact O-OG1 3.12Å; K1000-L1019 HydrophobicContact CG-CD2 4.01Å; K1000-I1022 HydrophobicContact CB-CD1 3.81Å; K1000-D1027 VanDerWaalsContact CE-OD2 3.29Å; K1000-D1027 WeakPolarHBondContact CE-OD2 3.14Å; K1000-D1027 IonicContact NZ-OD2 2.67Å; K1000-D1027 PolarHBondContact NZ-OD2 3Å |
| 1001 | L | 93.5 | Very high | 91.1 | Very high | 109 Ų | 109 | 66.3 Ų | 66.3 | 57% | 0.571 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.5 | -45.2 | 179.2 | -164.2 | 100.4 | 0 | 0 | 0 | 111.6 | S997 T998 I999 A1003 T1004 N1005 | S997-L1001 WeakPolarHBondContact O-CB 3.43Å; S997-L1001 PolarHBondContact O-N 3.21Å; T998-L1001 WeakPolarHBondContact O-CB 3.24Å; T998-L1001 PolarHBondContact O-N 3.27Å; I999-L1001 VanDerWaalsContact C-N 3.35Å; I999-L1001 PolarHBondContact O-N 3.21Å; L1001-A1003 VanDerWaalsContact C-N 3.34Å; L1001-A1003 PolarHBondContact O-N 3.23Å; L1001-T1004 WeakPolarHBondContact CA-OG1 3.48Å; L1001-T1004 PolarHBondContact O-N 2.89Å; L1001-T1004 PolarHBondContact O-OG1 2.93Å; L1001-N1005 WeakPolarHBondContact O-CB 3.42Å; L1001-N1005 PolarHBondContact O-N 3.19Å |
| 1002 | V | 94.1 | Very high | 91.7 | Very high | 66 Ų | 66 | 62.5 Ų | 62.5 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.9 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | T998 I999 T1004 N1005 L1006 L1018 | T998-V1002 WeakPolarHBondContact O-CG2 3.31Å; T998-V1002 PolarHBondContact O-N 3.21Å; I999-V1002 PolarHBondContact O-N 2.91Å; V1002-T1004 PolarHBondContact O-N 3.05Å; V1002-N1005 PolarHBondContact O-N 3.01Å; V1002-L1006 HydrophobicContact CG1-CD1 4.16Å; V1002-L1006 HydrophobicContact CG1-CG 4.42Å; V1002-L1006 WeakPolarHBondContact O-CG 3.32Å; V1002-L1006 PolarHBondContact O-N 3.44Å; V1002-L1018 HydrophobicContact CG1-CD1 3.87Å |
| 1003 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I999 K1000 L1001 N1005 L1006 I1007 G1015 L1018 L1019 | I999-A1003 WeakPolarHBondContact O-CB 3.43Å; I999-A1003 PolarHBondContact O-N 3.28Å; K1000-A1003 WeakPolarHBondContact O-CB 3.06Å; K1000-A1003 PolarHBondContact O-N 3.48Å; L1001-A1003 VanDerWaalsContact C-N 3.34Å; L1001-A1003 PolarHBondContact O-N 3.23Å; A1003-N1005 VanDerWaalsContact C-N 3.32Å; A1003-N1005 PolarHBondContact O-N 2.69Å; A1003-L1006 PolarHBondContact O-N 3.41Å; A1003-I1007 VanDerWaalsContact O-CG1 3.27Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.42Å; A1003-I1007 PolarHBondContact O-N 3.28Å; A1003-G1015 WeakPolarHBondContact CB-O 3.15Å; A1003-L1018 HydrophobicContact CB-CB 3.72Å; A1003-L1018 HydrophobicContact CB-CD1 4.33Å; A1003-L1019 HydrophobicContact CB-CD2 3.91Å; A1003-L1019 HydrophobicContact CB-CG 3.77Å |
| 1004 | T | 93.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 62.8 Ų | 62.8 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 177.5 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | K1000 L1001 V1002 I1007 A1008 Y1031 | K1000-T1004 WeakPolarHBondContact O-CG2 3.25Å; K1000-T1004 PolarHBondContact O-N 2.97Å; K1000-T1004 PolarHBondContact O-OG1 3.33Å; K1000-T1004 VanDerWaalsContact O-OG1 3.12Å; L1001-T1004 WeakPolarHBondContact CA-OG1 3.48Å; L1001-T1004 PolarHBondContact O-N 2.89Å; L1001-T1004 PolarHBondContact O-OG1 2.93Å; V1002-T1004 PolarHBondContact O-N 3.05Å; T1004-I1007 PolarHBondContact O-N 3.07Å; T1004-A1008 WeakPolarHBondContact O-CB 3.47Å; T1004-A1008 PolarHBondContact O-N 3.13Å; T1004-Y1031 HydrophobicContact CG2-CE2 4.25Å; T1004-Y1031 WeakPolarHBondContact CG2-OH 3.25Å |
| 1005 | N | 95.4 | Very high | 92.1 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 55% | 0.551 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -67.6 | -39.2 | 175.4 | -76.7 | -16.2 | 0 | 0 | 0 | 111.9 | L1001 V1002 A1003 A1008 G1009 | L1001-N1005 WeakPolarHBondContact O-CB 3.42Å; L1001-N1005 PolarHBondContact O-N 3.19Å; V1002-N1005 PolarHBondContact O-N 3.01Å; A1003-N1005 VanDerWaalsContact C-N 3.32Å; A1003-N1005 PolarHBondContact O-N 2.69Å; N1005-A1008 PolarHBondContact O-N 3.47Å; N1005-G1009 PolarHBondContact O-N 3.24Å |
| 1006 | L | 93.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 55.6 Ų | 55.6 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 175.3 | -71.7 | 176 | 0 | 0 | 0 | 111.6 | V1002 A1003 G1009 G1010 K1011 D1014 L1018 | V1002-L1006 HydrophobicContact CG1-CD1 4.16Å; V1002-L1006 HydrophobicContact CG1-CG 4.42Å; V1002-L1006 WeakPolarHBondContact O-CG 3.32Å; V1002-L1006 PolarHBondContact O-N 3.44Å; A1003-L1006 PolarHBondContact O-N 3.41Å; L1006-G1009 CarbonylContact O-C 3.54Å; L1006-G1009 WeakPolarHBondContact O-CA 2.99Å; L1006-G1009 PolarHBondContact O-N 2.93Å; L1006-G1009 VanDerWaalsContact O-N 3.16Å; L1006-G1010 PolarHBondContact O-N 3.25Å; L1006-K1011 HydrophobicContact CB-CB 4.3Å; L1006-K1011 HydrophobicContact CD2-CB 4.49Å; L1006-K1011 HydrophobicContact CD2-CD 4.15Å; L1006-K1011 WeakPolarHBondContact O-CA 3.32Å; L1006-K1011 PolarHBondContact O-N 3.34Å; L1006-D1014 HydrophobicContact CD1-CB 4.17Å; L1006-L1018 HydrophobicContact CD1-CD1 3.65Å |
| 1007 | I | 94.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 176.2 | -66.7 | 166.1 | 0 | 0 | 0 | 110.2 | A1003 T1004 G1009 G1010 L1012 I1016 L1019 Y1031 F1035 | A1003-I1007 VanDerWaalsContact O-CG1 3.27Å; A1003-I1007 WeakPolarHBondContact O-CG1 3.42Å; A1003-I1007 PolarHBondContact O-N 3.28Å; T1004-I1007 PolarHBondContact O-N 3.07Å; I1007-G1009 PolarHBondContact O-N 3.43Å; I1007-G1010 PolarHBondContact O-N 3.39Å; I1007-L1012 HydrophobicContact CG1-CD1 4.26Å; I1007-L1012 HydrophobicContact CG2-CD1 3.97Å; I1007-I1016 HydrophobicContact CD1-CD1 4.47Å; I1007-L1019 HydrophobicContact CD1-CD1 3.8Å; I1007-Y1031 HydrophobicContact CD1-CD1 4.41Å; I1007-Y1031 HydrophobicContact CD1-CD2 3.76Å; I1007-Y1031 HydrophobicContact CD1-CE2 4.14Å; I1007-Y1031 HydrophobicContact CD1-CG 3.92Å; I1007-Y1031 HydrophobicContact CG2-CD1 3.86Å; I1007-Y1031 HydrophobicContact CG2-CE1 4.28Å; I1007-Y1031 HydrophobicContact CG2-CG 4.28Å; I1007-F1035 HydrophobicContact CG2-CE2 3.62Å; I1007-F1035 HydrophobicContact CG2-CZ 4.13Å |
| 1008 | A | 91.6 | Very high | 92.3 | Very high | 88 Ų | 88 | 52.2 Ų | 52.2 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -61.9 | -31.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1004 N1005 G1010 | T1004-A1008 WeakPolarHBondContact O-CB 3.47Å; T1004-A1008 PolarHBondContact O-N 3.13Å; N1005-A1008 PolarHBondContact O-N 3.47Å; A1008-G1010 VanDerWaalsContact C-N 3.26Å; A1008-G1010 PolarHBondContact O-N 3.45Å |
| 1009 | G | 92.6 | Very high | 92.3 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 66% | 0.66 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 6.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1005 L1006 I1007 | N1005-G1009 PolarHBondContact O-N 3.24Å; L1006-G1009 CarbonylContact O-C 3.54Å; L1006-G1009 WeakPolarHBondContact O-CA 2.99Å; L1006-G1009 PolarHBondContact O-N 2.93Å; L1006-G1009 VanDerWaalsContact O-N 3.16Å; I1007-G1009 PolarHBondContact O-N 3.43Å |
| 1010 | G | 89.8 | Confident | 92.1 | Very high | 66 Ų | 66 | 48.2 Ų | 48.2 | 68% | 0.68 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 1.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1006 I1007 A1008 L1012 | L1006-G1010 PolarHBondContact O-N 3.25Å; I1007-G1010 PolarHBondContact O-N 3.39Å; A1008-G1010 VanDerWaalsContact C-N 3.26Å; A1008-G1010 PolarHBondContact O-N 3.45Å; G1010-L1012 VanDerWaalsContact C-N 3.34Å; G1010-L1012 PolarHBondContact O-N 3.03Å |
| 1011 | K | 90.9 | Very high | 91.8 | Very high | 121 Ų | 121 | 44.9 Ų | 44.9 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | trans | -92.8 | 67.5 | 173.8 | -66.8 | -170.5 | 174.3 | -167.1 | 0 | 110.5 | L1006 D1014 G1015 | L1006-K1011 HydrophobicContact CB-CB 4.3Å; L1006-K1011 HydrophobicContact CD2-CB 4.49Å; L1006-K1011 HydrophobicContact CD2-CD 4.15Å; L1006-K1011 WeakPolarHBondContact O-CA 3.32Å; L1006-K1011 PolarHBondContact O-N 3.34Å; K1011-D1014 HydrophobicContact CB-CB 4.38Å; K1011-G1015 PolarHBondContact O-N 2.73Å | ||
| 1012 | L | 91.9 | Very high | 91.6 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59 | -52 | -174.5 | -178.1 | 62 | 0 | 0 | 0 | 111.9 | I1007 G1010 D1014 G1015 I1016 L1032 F1035 F1037 | I1007-L1012 HydrophobicContact CG1-CD1 4.26Å; I1007-L1012 HydrophobicContact CG2-CD1 3.97Å; G1010-L1012 VanDerWaalsContact C-N 3.34Å; G1010-L1012 PolarHBondContact O-N 3.03Å; L1012-D1014 PolarHBondContact O-N 2.7Å; L1012-G1015 PolarHBondContact O-N 2.76Å; L1012-I1016 HydrophobicContact CD1-CD1 4.28Å; L1012-I1016 HydrophobicContact CD1-CG1 3.98Å; L1012-I1016 HydrophobicContact CG-CG1 4.22Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; L1012-I1016 PolarHBondContact O-N 3.47Å; L1012-L1032 HydrophobicContact CD2-CD2 4.09Å; L1012-L1032 HydrophobicContact CG-CD2 4.35Å; L1012-F1035 HydrophobicContact CD1-CD2 3.81Å; L1012-F1035 HydrophobicContact CD1-CE2 4.04Å; L1012-F1035 HydrophobicContact CD2-CB 4.24Å; L1012-F1035 HydrophobicContact CD2-CD2 4.26Å; L1012-F1035 HydrophobicContact CD2-CG 4.33Å; L1012-F1037 HydrophobicContact CD2-CD2 3.44Å; L1012-F1037 VanDerWaalsContact CD2-CD2 3.44Å; L1012-F1037 HydrophobicContact CD2-CE2 3.45Å; L1012-F1037 VanDerWaalsContact CD2-CE2 3.45Å |
| 1013 | T | 88.6 | Confident | 91.1 | Very high | 88 Ų | 88 | 41.5 Ų | 41.5 | 54% | 0.54 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.6 | -48.3 | -177.1 | 47.5 | 0 | 0 | 0 | 0 | 112.6 | G1015 I1016 E1017 | T1013-G1015 VanDerWaalsContact C-N 3.34Å; T1013-G1015 PolarHBondContact O-N 2.96Å; T1013-I1016 PolarHBondContact O-N 3.49Å; T1013-E1017 WeakPolarHBondContact O-CG 3.48Å; T1013-E1017 PolarHBondContact O-N 2.97Å |
| 1014 | D | 89.6 | Confident | 90.8 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | -178 | -59.4 | -10.6 | 0 | 0 | 0 | 111 | L1006 K1011 L1012 E1017 L1018 | L1006-D1014 HydrophobicContact CD1-CB 4.17Å; K1011-D1014 HydrophobicContact CB-CB 4.38Å; L1012-D1014 PolarHBondContact O-N 2.7Å; D1014-E1017 PolarHBondContact O-N 2.88Å; D1014-L1018 WeakPolarHBondContact O-CG 3.24Å; D1014-L1018 PolarHBondContact O-N 2.97Å; D1014-L1018 VanDerWaalsContact O-N 3.1Å |
| 1015 | G | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | A1003 K1011 L1012 T1013 L1018 L1019 | A1003-G1015 WeakPolarHBondContact CB-O 3.15Å; K1011-G1015 PolarHBondContact O-N 2.73Å; L1012-G1015 PolarHBondContact O-N 2.76Å; T1013-G1015 VanDerWaalsContact C-N 3.34Å; T1013-G1015 PolarHBondContact O-N 2.96Å; G1015-L1018 PolarHBondContact O-N 2.87Å; G1015-L1019 WeakPolarHBondContact O-CG 3.39Å; G1015-L1019 PolarHBondContact O-N 3.03Å |
| 1016 | I | 93.5 | Very high | 90.2 | Very high | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 175.5 | -67.9 | -64.8 | 0 | 0 | 0 | 111.2 | L955 I1007 L1012 T1013 L1018 L1019 R1020 A1028 L1032 L1044 | L955-I1016 HydrophobicContact CD2-CG2 4.26Å; I1007-I1016 HydrophobicContact CD1-CD1 4.47Å; L1012-I1016 HydrophobicContact CD1-CD1 4.28Å; L1012-I1016 HydrophobicContact CD1-CG1 3.98Å; L1012-I1016 HydrophobicContact CG-CG1 4.22Å; L1012-I1016 WeakPolarHBondContact O-CG1 3.44Å; L1012-I1016 PolarHBondContact O-N 3.47Å; T1013-I1016 PolarHBondContact O-N 3.49Å; I1016-L1018 VanDerWaalsContact C-N 3.33Å; I1016-L1018 PolarHBondContact O-N 2.84Å; I1016-L1019 PolarHBondContact O-N 3.04Å; I1016-R1020 WeakPolarHBondContact O-CB 3.31Å; I1016-R1020 PolarHBondContact O-N 2.95Å; I1016-A1028 HydrophobicContact CD1-CB 3.67Å; I1016-A1028 WeakPolarHBondContact CD1-O 3.23Å; I1016-A1028 HydrophobicContact CG2-CB 4.18Å; I1016-L1032 HydrophobicContact CD1-CD1 4.4Å; I1016-L1032 HydrophobicContact CD1-CD2 4.3Å; I1016-L1032 HydrophobicContact CD1-CG 3.86Å; I1016-L1032 HydrophobicContact CG1-CD2 4.13Å; I1016-L1032 HydrophobicContact CG1-CG 4.21Å; I1016-L1032 HydrophobicContact CG2-CD1 4.43Å; I1016-L1044 HydrophobicContact CG2-CD2 3.93Å |
| 1017 | E | 90.4 | Very high | 90 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 174.5 | -72.1 | 179.2 | 167.2 | 0 | 0 | 111.9 | T951 L955 K982 T1013 D1014 R1020 S1021 | T951-E1017 VanDerWaalsContact CA-OE1 3.25Å; T951-E1017 WeakPolarHBondContact CA-OE1 3.49Å; T951-E1017 WeakPolarHBondContact CB-OE1 3.16Å; T951-E1017 HydrophobicContact CG2-CG 4.18Å; T951-E1017 WeakPolarHBondContact CG2-OE1 3.46Å; T951-E1017 PolarHBondContact OG1-OE1 3.48Å; L955-E1017 HydrophobicContact CD2-CG 4.21Å; K982-E1017 WeakPolarHBondContact CE-OE2 3.48Å; K982-E1017 IonicContact NZ-OE1 3.2Å; K982-E1017 PolarHBondContact NZ-OE1 3.25Å; K982-E1017 IonicContact NZ-OE2 2.6Å; K982-E1017 PolarHBondContact NZ-OE2 2.82Å; T1013-E1017 WeakPolarHBondContact O-CG 3.48Å; T1013-E1017 PolarHBondContact O-N 2.97Å; D1014-E1017 PolarHBondContact O-N 2.88Å; E1017-R1020 WeakPolarHBondContact O-CB 3.27Å; E1017-R1020 PolarHBondContact O-N 3.34Å; E1017-S1021 WeakPolarHBondContact O-CB 3.37Å; E1017-S1021 PolarHBondContact O-N 2.95Å |
| 1018 | L | 90.3 | Very high | 89.9 | Confident | 30 Ų | 30 | 39.6 Ų | 39.6 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 177.7 | -73.2 | -179.2 | 0 | 0 | 0 | 111.9 | L985 I999 V1002 A1003 L1006 D1014 G1015 I1016 R1020 S1021 I1022 | L985-L1018 HydrophobicContact CD2-CD2 3.47Å; L985-L1018 VanDerWaalsContact CD2-CD2 3.47Å; I999-L1018 HydrophobicContact CG2-CB 4.06Å; I999-L1018 HydrophobicContact CG2-CD2 4.33Å; V1002-L1018 HydrophobicContact CG1-CD1 3.87Å; A1003-L1018 HydrophobicContact CB-CB 3.72Å; A1003-L1018 HydrophobicContact CB-CD1 4.33Å; L1006-L1018 HydrophobicContact CD1-CD1 3.65Å; D1014-L1018 WeakPolarHBondContact O-CG 3.24Å; D1014-L1018 PolarHBondContact O-N 2.97Å; D1014-L1018 VanDerWaalsContact O-N 3.1Å; G1015-L1018 PolarHBondContact O-N 2.87Å; I1016-L1018 VanDerWaalsContact C-N 3.33Å; I1016-L1018 PolarHBondContact O-N 2.84Å; L1018-R1020 VanDerWaalsContact C-N 3.27Å; L1018-R1020 PolarHBondContact O-N 3.32Å; L1018-S1021 WeakPolarHBondContact O-CB 3.12Å; L1018-S1021 PolarHBondContact O-N 2.79Å; L1018-S1021 VanDerWaalsContact O-N 3.14Å; L1018-S1021 PolarHBondContact O-OG 2.92Å; L1018-I1022 PolarHBondContact O-N 3.23Å |
| 1019 | L | 91.1 | Very high | 90 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.4 | -41.3 | 174.7 | -73.2 | 175.3 | 0 | 0 | 0 | 111.4 | K1000 A1003 I1007 G1015 I1016 S1021 I1022 K1024 D1027 A1028 Y1031 | K1000-L1019 HydrophobicContact CG-CD2 4.01Å; A1003-L1019 HydrophobicContact CB-CD2 3.91Å; A1003-L1019 HydrophobicContact CB-CG 3.77Å; I1007-L1019 HydrophobicContact CD1-CD1 3.8Å; G1015-L1019 WeakPolarHBondContact O-CG 3.39Å; G1015-L1019 PolarHBondContact O-N 3.03Å; I1016-L1019 PolarHBondContact O-N 3.04Å; L1019-S1021 VanDerWaalsContact C-N 3.31Å; L1019-S1021 PolarHBondContact O-N 3.39Å; L1019-I1022 VanDerWaalsContact O-CG1 3.23Å; L1019-I1022 WeakPolarHBondContact O-CG1 3.06Å; L1019-I1022 PolarHBondContact O-N 3.31Å; L1019-K1024 HydrophobicContact CB-CB 4.48Å; L1019-K1024 HydrophobicContact CD2-CB 4.27Å; L1019-K1024 WeakPolarHBondContact O-CA 3.19Å; L1019-K1024 PolarHBondContact O-N 3.02Å; L1019-D1027 HydrophobicContact CD1-CB 4.49Å; L1019-A1028 HydrophobicContact CB-CB 3.98Å; L1019-A1028 HydrophobicContact CD1-CB 4.07Å; L1019-Y1031 HydrophobicContact CD1-CD2 3.77Å; L1019-Y1031 HydrophobicContact CD1-CE2 4.05Å |
| 1020 | R | 89 | Confident | 90 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 6% | 0.057 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -38.3 | 176.3 | 175.1 | 59.1 | -167.8 | 111.8 | -10.2 | 111.9 | L955 I1016 E1017 L1018 I1022 D1023 S1025 C1048 | L955-R1020 HydrophobicContact CD2-CB 3.87Å; L955-R1020 HydrophobicContact CD2-CG 3.92Å; L955-R1020 PolarHBondContact O-NE 3.12Å; L955-R1020 VanDerWaalsContact O-NE 3.1Å; I1016-R1020 WeakPolarHBondContact O-CB 3.31Å; I1016-R1020 PolarHBondContact O-N 2.95Å; E1017-R1020 WeakPolarHBondContact O-CB 3.27Å; E1017-R1020 PolarHBondContact O-N 3.34Å; L1018-R1020 VanDerWaalsContact C-N 3.27Å; L1018-R1020 PolarHBondContact O-N 3.32Å; R1020-I1022 PolarHBondContact O-N 2.93Å; R1020-D1023 IonicContact CZ-OD1 3.63Å; R1020-D1023 IonicContact NH1-OD1 2.98Å; R1020-D1023 PolarHBondContact NH1-OD1 2.74Å; R1020-D1023 PolarHBondContact O-N 2.85Å; R1020-S1025 WeakPolarHBondContact CD-OG 3.41Å; R1020-C1048 VanDerWaalsContact CD-SG 3.51Å; R1020-C1048 PolarHBondContact NE-SG 2.87Å |
| 1021 | S | 86.2 | Confident | 90.3 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 4% | 0.035 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.9 | -22.1 | -179.7 | 85.7 | 0 | 0 | 0 | 0 | 113.6 | R990 E1017 L1018 L1019 | R990-S1021 WeakPolarHBondContact CD-O 3.45Å; R990-S1021 PolarHBondContact NH1-O 2.85Å; E1017-S1021 WeakPolarHBondContact O-CB 3.37Å; E1017-S1021 PolarHBondContact O-N 2.95Å; L1018-S1021 WeakPolarHBondContact O-CB 3.12Å; L1018-S1021 PolarHBondContact O-N 2.79Å; L1018-S1021 VanDerWaalsContact O-N 3.14Å; L1018-S1021 PolarHBondContact O-OG 2.92Å; L1019-S1021 VanDerWaalsContact C-N 3.31Å; L1019-S1021 PolarHBondContact O-N 3.39Å |
| 1022 | I | 88.4 | Confident | 90.4 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 18.1 | 176.2 | 58.1 | 166.9 | 0 | 0 | 0 | 112.6 | Q996 I999 K1000 L1018 L1019 R1020 K1024 | Q996-I1022 PolarHBondContact NE2-O 3.43Å; Q996-I1022 VanDerWaalsContact NE2-O 3.11Å; Q996-I1022 WeakPolarHBondContact O-CD1 3.32Å; Q996-I1022 PolarHBondContact OE1-O 3.26Å; I999-I1022 HydrophobicContact CB-CD1 4.43Å; I999-I1022 HydrophobicContact CB-CG2 3.83Å; I999-I1022 HydrophobicContact CD1-CG2 3.6Å; I999-I1022 HydrophobicContact CG1-CG2 4.32Å; I999-I1022 HydrophobicContact CG2-CD1 4.22Å; I999-I1022 HydrophobicContact CG2-CG1 4.39Å; I999-I1022 HydrophobicContact CG2-CG2 3.65Å; K1000-I1022 HydrophobicContact CB-CD1 3.81Å; L1018-I1022 PolarHBondContact O-N 3.23Å; L1019-I1022 VanDerWaalsContact O-CG1 3.23Å; L1019-I1022 WeakPolarHBondContact O-CG1 3.06Å; L1019-I1022 PolarHBondContact O-N 3.31Å; R1020-I1022 PolarHBondContact O-N 2.93Å; I1022-K1024 HydrophobicContact CD1-CB 4.31Å; I1022-K1024 HydrophobicContact CD1-CG 3.69Å; I1022-K1024 HydrophobicContact CG1-CB 4.15Å; I1022-K1024 HydrophobicContact CG1-CG 3.79Å; I1022-K1024 PolarHBondContact O-N 3.16Å |
| 1023 | D | 84.5 | Confident | 90.5 | Very high | 103 Ų | 103 | 34 Ų | 34 | 55% | 0.551 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 29.4 | -178 | -63.8 | -45.1 | 0 | 0 | 0 | 113.9 | R1020 S1025 | R1020-D1023 IonicContact CZ-OD1 3.63Å; R1020-D1023 IonicContact NH1-OD1 2.98Å; R1020-D1023 PolarHBondContact NH1-OD1 2.74Å; R1020-D1023 PolarHBondContact O-N 2.85Å; D1023-S1025 VanDerWaalsContact C-N 3.28Å; D1023-S1025 PolarHBondContact O-N 3.49Å |
| 1024 | K | 88.5 | Confident | 90.7 | Very high | 82 Ų | 82 | 33.9 Ų | 33.9 | 36% | 0.357 | 17% | 0.169 | S | C | . | . | trans | -94.9 | 40 | 170.6 | -61.1 | -61.1 | 179.2 | -168.6 | 0 | 112 | L1019 I1022 P1026 D1027 A1028 | L1019-K1024 HydrophobicContact CB-CB 4.48Å; L1019-K1024 HydrophobicContact CD2-CB 4.27Å; L1019-K1024 WeakPolarHBondContact O-CA 3.19Å; L1019-K1024 PolarHBondContact O-N 3.02Å; I1022-K1024 HydrophobicContact CD1-CB 4.31Å; I1022-K1024 HydrophobicContact CD1-CG 3.69Å; I1022-K1024 HydrophobicContact CG1-CB 4.15Å; I1022-K1024 HydrophobicContact CG1-CG 3.79Å; I1022-K1024 PolarHBondContact O-N 3.16Å; K1024-P1026 VanDerWaalsContact C-CD 3.43Å; K1024-D1027 HydrophobicContact CB-CB 4.43Å; K1024-D1027 WeakPolarHBondContact O-CB 3.26Å; K1024-D1027 PolarHBondContact O-N 2.82Å; K1024-D1027 VanDerWaalsContact O-N 3.08Å; K1024-A1028 PolarHBondContact O-N 2.89Å | ||
| 1025 | S | 87.5 | Confident | 90.8 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.5 | -37.9 | 179.7 | -47.5 | 0 | 0 | 0 | 0 | 114.2 | R1020 D1023 D1027 A1028 C1029 | R1020-S1025 WeakPolarHBondContact CD-OG 3.41Å; D1023-S1025 VanDerWaalsContact C-N 3.28Å; D1023-S1025 PolarHBondContact O-N 3.49Å; S1025-D1027 VanDerWaalsContact C-N 3.3Å; S1025-D1027 PolarHBondContact O-N 2.83Å; S1025-A1028 WeakPolarHBondContact O-CB 3.09Å; S1025-A1028 PolarHBondContact O-N 3.3Å; S1025-C1029 PolarHBondContact O-N 3.47Å; S1025-C1029 PolarHBondContact O-SG 3.24Å; S1025-C1029 VanDerWaalsContact O-SG 3.4Å |
| 1026 | P | 88.8 | Confident | 90.6 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.5 | -30.8 | 175.9 | -22.9 | 34.3 | 0 | 0 | 0 | 114 | K1024 R1030 L1049 A1057 | K1024-P1026 VanDerWaalsContact C-CD 3.43Å; P1026-R1030 WeakPolarHBondContact O-CG 3.46Å; P1026-R1030 PolarHBondContact O-N 3.49Å; P1026-R1030 PolarHBondContact O-NE 3.12Å; P1026-L1049 HydrophobicContact CG-CD2 3.93Å; P1026-A1057 HydrophobicContact CG-CB 4.25Å |
| 1027 | D | 89.7 | Confident | 90.4 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.8 | -41.4 | 174.7 | -67.6 | -4.8 | 0 | 0 | 0 | 109.7 | K1000 L1019 K1024 S1025 R1030 Y1031 | K1000-D1027 VanDerWaalsContact CE-OD2 3.29Å; K1000-D1027 WeakPolarHBondContact CE-OD2 3.14Å; K1000-D1027 IonicContact NZ-OD2 2.67Å; K1000-D1027 PolarHBondContact NZ-OD2 3Å; L1019-D1027 HydrophobicContact CD1-CB 4.49Å; K1024-D1027 HydrophobicContact CB-CB 4.43Å; K1024-D1027 WeakPolarHBondContact O-CB 3.26Å; K1024-D1027 PolarHBondContact O-N 2.82Å; K1024-D1027 VanDerWaalsContact O-N 3.08Å; S1025-D1027 VanDerWaalsContact C-N 3.3Å; S1025-D1027 PolarHBondContact O-N 2.83Å; D1027-R1030 WeakPolarHBondContact O-CB 3.45Å; D1027-R1030 PolarHBondContact O-N 3.5Å; D1027-R1030 IonicContact OD1-CZ 2.62Å; D1027-R1030 VanDerWaalsContact OD1-CZ 3.31Å; D1027-R1030 IonicContact OD1-NE 2.91Å; D1027-R1030 IonicContact OD1-NH2 3.94Å; D1027-R1030 PolarHBondContact OD1-NH2 2.91Å; D1027-Y1031 WeakPolarHBondContact O-CD2 3.3Å; D1027-Y1031 PolarHBondContact O-N 3.42Å |
| 1028 | A | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1016 L1019 K1024 S1025 R1030 Y1031 L1032 L1044 | I1016-A1028 HydrophobicContact CD1-CB 3.67Å; I1016-A1028 WeakPolarHBondContact CD1-O 3.23Å; I1016-A1028 HydrophobicContact CG2-CB 4.18Å; L1019-A1028 HydrophobicContact CB-CB 3.98Å; L1019-A1028 HydrophobicContact CD1-CB 4.07Å; K1024-A1028 PolarHBondContact O-N 2.89Å; S1025-A1028 WeakPolarHBondContact O-CB 3.09Å; S1025-A1028 PolarHBondContact O-N 3.3Å; A1028-R1030 VanDerWaalsContact C-N 3.28Å; A1028-R1030 PolarHBondContact O-N 3.08Å; A1028-Y1031 PolarHBondContact O-N 3.31Å; A1028-L1032 PolarHBondContact O-N 2.89Å; A1028-L1044 HydrophobicContact CB-CD2 3.66Å |
| 1029 | C | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -40.1 | 174.7 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | S1025 L1032 Q1033 S1041 V1061 | S1025-C1029 PolarHBondContact O-N 3.47Å; S1025-C1029 PolarHBondContact O-SG 3.24Å; S1025-C1029 VanDerWaalsContact O-SG 3.4Å; C1029-L1032 PolarHBondContact O-N 3.48Å; C1029-Q1033 WeakPolarHBondContact O-CG 3.47Å; C1029-Q1033 PolarHBondContact O-N 2.92Å; C1029-S1041 PolarHBondContact SG-O 3.06Å; C1029-S1041 VanDerWaalsContact SG-O 3.34Å; C1029-V1061 HydrophobicContact CB-CG1 4.22Å; C1029-V1061 HydrophobicContact CB-CG2 3.67Å |
| 1030 | R | 92.9 | Very high | 90.4 | Very high | 137 Ų | 137 | 49.8 Ų | 49.8 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 177 | -79.3 | -176.8 | -88.7 | 178.9 | -12.6 | 112.5 | P1026 D1027 A1028 Q1033 S1034 | P1026-R1030 WeakPolarHBondContact O-CG 3.46Å; P1026-R1030 PolarHBondContact O-N 3.49Å; P1026-R1030 PolarHBondContact O-NE 3.12Å; D1027-R1030 WeakPolarHBondContact O-CB 3.45Å; D1027-R1030 PolarHBondContact O-N 3.5Å; D1027-R1030 IonicContact OD1-CZ 2.62Å; D1027-R1030 VanDerWaalsContact OD1-CZ 3.31Å; D1027-R1030 IonicContact OD1-NE 2.91Å; D1027-R1030 IonicContact OD1-NH2 3.94Å; D1027-R1030 PolarHBondContact OD1-NH2 2.91Å; A1028-R1030 VanDerWaalsContact C-N 3.28Å; A1028-R1030 PolarHBondContact O-N 3.08Å; R1030-Q1033 PolarHBondContact O-N 2.84Å; R1030-S1034 PolarHBondContact O-N 2.99Å; R1030-S1034 PolarHBondContact O-OG 3.2Å |
| 1031 | Y | 94.9 | Very high | 90.6 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 31% | 0.306 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -49.2 | 173.9 | -77.9 | -66.3 | 0 | 0 | 0 | 110.9 | T1004 I1007 L1019 D1027 A1028 Q1033 S1034 F1035 | T1004-Y1031 HydrophobicContact CG2-CE2 4.25Å; T1004-Y1031 WeakPolarHBondContact CG2-OH 3.25Å; I1007-Y1031 HydrophobicContact CD1-CD1 4.41Å; I1007-Y1031 HydrophobicContact CD1-CD2 3.76Å; I1007-Y1031 HydrophobicContact CD1-CE2 4.14Å; I1007-Y1031 HydrophobicContact CD1-CG 3.92Å; I1007-Y1031 HydrophobicContact CG2-CD1 3.86Å; I1007-Y1031 HydrophobicContact CG2-CE1 4.28Å; I1007-Y1031 HydrophobicContact CG2-CG 4.28Å; L1019-Y1031 HydrophobicContact CD1-CD2 3.77Å; L1019-Y1031 HydrophobicContact CD1-CE2 4.05Å; D1027-Y1031 WeakPolarHBondContact O-CD2 3.3Å; D1027-Y1031 PolarHBondContact O-N 3.42Å; A1028-Y1031 PolarHBondContact O-N 3.31Å; Y1031-Q1033 VanDerWaalsContact C-N 3.32Å; Y1031-Q1033 PolarHBondContact O-N 2.73Å; Y1031-S1034 WeakPolarHBondContact CA-OG 3.48Å; Y1031-S1034 PolarHBondContact O-N 3.38Å; Y1031-S1034 VanDerWaalsContact O-N 3.08Å; Y1031-S1034 PolarHBondContact O-OG 2.88Å; Y1031-F1035 VanDerWaalsContact O-CD2 3.24Å; Y1031-F1035 WeakPolarHBondContact O-CD2 3.39Å; Y1031-F1035 PolarHBondContact O-N 2.97Å; Y1031-F1035 VanDerWaalsContact O-N 3.16Å |
| 1032 | L | 94.2 | Very high | 91 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -53.7 | -47.3 | 177.1 | -71.2 | 170.1 | 0 | 0 | 0 | 112.3 | L1012 I1016 A1028 C1029 S1034 F1035 G1036 F1037 E1040 L1044 | L1012-L1032 HydrophobicContact CD2-CD2 4.09Å; L1012-L1032 HydrophobicContact CG-CD2 4.35Å; I1016-L1032 HydrophobicContact CD1-CD1 4.4Å; I1016-L1032 HydrophobicContact CD1-CD2 4.3Å; I1016-L1032 HydrophobicContact CD1-CG 3.86Å; I1016-L1032 HydrophobicContact CG1-CD2 4.13Å; I1016-L1032 HydrophobicContact CG1-CG 4.21Å; I1016-L1032 HydrophobicContact CG2-CD1 4.43Å; A1028-L1032 PolarHBondContact O-N 2.89Å; C1029-L1032 PolarHBondContact O-N 3.48Å; L1032-S1034 PolarHBondContact O-N 3.35Å; L1032-F1035 PolarHBondContact O-N 2.55Å; L1032-G1036 PolarHBondContact O-N 2.87Å; L1032-F1037 HydrophobicContact CB-CB 4.23Å; L1032-F1037 HydrophobicContact CD2-CB 4.01Å; L1032-F1037 PolarHBondContact O-N 3.37Å; L1032-E1040 HydrophobicContact CD1-CB 4.36Å; L1032-E1040 HydrophobicContact CD2-CB 4.42Å; L1032-L1044 HydrophobicContact CD1-CB 4.32Å; L1032-L1044 HydrophobicContact CD1-CD2 3.82Å |
| 1033 | Q | 94.1 | Very high | 91.2 | Very high | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.6 | -70.9 | -177.7 | -20.7 | 0 | 0 | 112.9 | C1029 R1030 Y1031 F1035 G1036 W1038 S1041 V1061 | C1029-Q1033 WeakPolarHBondContact O-CG 3.47Å; C1029-Q1033 PolarHBondContact O-N 2.92Å; R1030-Q1033 PolarHBondContact O-N 2.84Å; Y1031-Q1033 VanDerWaalsContact C-N 3.32Å; Y1031-Q1033 PolarHBondContact O-N 2.73Å; Q1033-F1035 PolarHBondContact O-N 3.34Å; Q1033-G1036 PolarHBondContact O-N 3.19Å; Q1033-W1038 HydrophobicContact CB-CE3 4.26Å; Q1033-W1038 HydrophobicContact CB-CH2 4.32Å; Q1033-W1038 HydrophobicContact CB-CZ3 4.02Å; Q1033-W1038 HydrophobicContact CG-CE3 3.74Å; Q1033-W1038 HydrophobicContact CG-CZ3 3.74Å; Q1033-S1041 WeakPolarHBondContact CG-OG 3.47Å; Q1033-V1061 PolarHBondContact NE2-O 2.83Å; Q1033-V1061 VanDerWaalsContact NE2-O 3.13Å |
| 1034 | S | 92.2 | Very high | 91.5 | Very high | 87 Ų | 87 | 45.1 Ų | 45.1 | 61% | 0.608 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.9 | -25.5 | 178.7 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | R1030 Y1031 L1032 | R1030-S1034 PolarHBondContact O-N 2.99Å; R1030-S1034 PolarHBondContact O-OG 3.2Å; Y1031-S1034 WeakPolarHBondContact CA-OG 3.48Å; Y1031-S1034 PolarHBondContact O-N 3.38Å; Y1031-S1034 VanDerWaalsContact O-N 3.08Å; Y1031-S1034 PolarHBondContact O-OG 2.88Å; L1032-S1034 PolarHBondContact O-N 3.35Å |
| 1035 | F | 91.6 | Very high | 91.7 | Very high | 111 Ų | 111 | 41.2 Ų | 41.2 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 2.3 | 174.9 | -74.8 | -76.3 | 0 | 0 | 0 | 113.3 | I1007 L1012 Y1031 L1032 Q1033 F1037 | I1007-F1035 HydrophobicContact CG2-CE2 3.62Å; I1007-F1035 HydrophobicContact CG2-CZ 4.13Å; L1012-F1035 HydrophobicContact CD1-CD2 3.81Å; L1012-F1035 HydrophobicContact CD1-CE2 4.04Å; L1012-F1035 HydrophobicContact CD2-CB 4.24Å; L1012-F1035 HydrophobicContact CD2-CD2 4.26Å; L1012-F1035 HydrophobicContact CD2-CG 4.33Å; Y1031-F1035 VanDerWaalsContact O-CD2 3.24Å; Y1031-F1035 WeakPolarHBondContact O-CD2 3.39Å; Y1031-F1035 PolarHBondContact O-N 2.97Å; Y1031-F1035 VanDerWaalsContact O-N 3.16Å; L1032-F1035 PolarHBondContact O-N 2.55Å; Q1033-F1035 PolarHBondContact O-N 3.34Å; F1035-F1037 HydrophobicContact CB-CD2 3.65Å; F1035-F1037 HydrophobicContact CB-CE2 3.89Å |
| 1036 | G | 88.8 | Confident | 91.8 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | 5.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1032 Q1033 W1038 | L1032-G1036 PolarHBondContact O-N 2.87Å; Q1033-G1036 PolarHBondContact O-N 3.19Å; G1036-W1038 PolarHBondContact O-N 3.16Å |
| 1037 | F | 90.6 | Very high | 91.7 | Very high | 90 Ų | 90 | 39.6 Ų | 39.6 | 40% | 0.395 | 19% | 0.193 | S | C | . | . | trans | -83.2 | 67 | 177.2 | -65.2 | -71.2 | 0 | 0 | 0 | 111 | L1012 L1032 F1035 E1040 S1041 | L1012-F1037 HydrophobicContact CD2-CD2 3.44Å; L1012-F1037 VanDerWaalsContact CD2-CD2 3.44Å; L1012-F1037 HydrophobicContact CD2-CE2 3.45Å; L1012-F1037 VanDerWaalsContact CD2-CE2 3.45Å; L1032-F1037 HydrophobicContact CB-CB 4.23Å; L1032-F1037 HydrophobicContact CD2-CB 4.01Å; L1032-F1037 PolarHBondContact O-N 3.37Å; F1035-F1037 HydrophobicContact CB-CD2 3.65Å; F1035-F1037 HydrophobicContact CB-CE2 3.89Å; F1037-E1040 VanDerWaalsContact C-OE2 3.26Å; F1037-E1040 VanDerWaalsContact CA-OE2 3.31Å; F1037-E1040 WeakPolarHBondContact CA-OE2 3.45Å; F1037-E1040 HydrophobicContact CB-CB 4.24Å; F1037-E1040 HydrophobicContact CB-CG 4.48Å; F1037-E1040 WeakPolarHBondContact CB-OE2 3.41Å; F1037-S1041 WeakPolarHBondContact O-CB 3.34Å; F1037-S1041 PolarHBondContact O-N 3.49Å | ||
| 1038 | W | 91.1 | Very high | 91.3 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -47.6 | -172.5 | -67.5 | 99.8 | 0 | 0 | 0 | 112.9 | Q1033 G1036 E1040 S1041 V1042 K1064 W1065 H1068 | Q1033-W1038 HydrophobicContact CB-CE3 4.26Å; Q1033-W1038 HydrophobicContact CB-CH2 4.32Å; Q1033-W1038 HydrophobicContact CB-CZ3 4.02Å; Q1033-W1038 HydrophobicContact CG-CE3 3.74Å; Q1033-W1038 HydrophobicContact CG-CZ3 3.74Å; G1036-W1038 PolarHBondContact O-N 3.16Å; W1038-E1040 PolarHBondContact O-N 2.77Å; W1038-S1041 WeakPolarHBondContact O-CB 3.48Å; W1038-S1041 PolarHBondContact O-N 3.15Å; W1038-S1041 PolarHBondContact O-OG 3.03Å; W1038-V1042 WeakPolarHBondContact O-CG2 3.28Å; W1038-V1042 PolarHBondContact O-N 3.47Å; W1038-V1042 VanDerWaalsContact O-N 3.1Å; W1038-K1064 HydrophobicContact CZ3-CB 4.25Å; W1038-W1065 HydrophobicContact CE3-CB 4.25Å; W1038-H1068 AromaticContact CD1-CD2 3.47Å; W1038-H1068 VanDerWaalsContact CD1-CD2 3.47Å; W1038-H1068 AromaticContact CD1-NE2 3.46Å; W1038-H1068 HydrophobicContact CD2-CB 4.04Å; W1038-H1068 AromaticContact CD2-CD2 3.77Å; W1038-H1068 AromaticContact CD2-CG 3.84Å; W1038-H1068 AromaticContact CE2-CD2 3.61Å; W1038-H1068 AromaticContact CE2-CG 3.4Å; W1038-H1068 AromaticContact CE2-ND1 3.7Å; W1038-H1068 HydrophobicContact CE3-CB 4.09Å; W1038-H1068 AromaticContact CG-CD2 3.71Å; W1038-H1068 HydrophobicContact CH2-CB 3.79Å; W1038-H1068 HydrophobicContact CZ2-CB 3.72Å; W1038-H1068 AromaticContact CZ2-CG 3.63Å; W1038-H1068 AromaticContact CZ2-ND1 3.76Å; W1038-H1068 HydrophobicContact CZ3-CB 3.97Å; W1038-H1068 AromaticContact NE1-CD2 3.4Å; W1038-H1068 PolarHBondContact NE1-CD2 2.6Å; W1038-H1068 AromaticContact NE1-CE1 3.47Å; W1038-H1068 PolarHBondContact NE1-CE1 3.32Å; W1038-H1068 AromaticContact NE1-CG 3.56Å; W1038-H1068 AromaticContact NE1-ND1 3.6Å; W1038-H1068 AromaticContact NE1-NE2 3.34Å; W1038-H1068 PolarHBondContact NE1-NE2 3.13Å |
| 1039 | E | 89.5 | Confident | 90.4 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -39.9 | -179 | -68.4 | -175.6 | -169.6 | 0 | 0 | 111.5 | H164 F918 S1041 V1042 W1043 W1065 | H164-E1039 IonicContact CD2-OE2 2.77Å; H164-E1039 PolarHBondContact CD2-OE2 3.28Å; F918-E1039 HydrophobicContact CE2-CB 4.17Å; F918-E1039 HydrophobicContact CE2-CG 4.23Å; F918-E1039 HydrophobicContact CZ-CB 4.27Å; E1039-S1041 VanDerWaalsContact C-N 3.29Å; E1039-S1041 PolarHBondContact O-N 3.47Å; E1039-V1042 PolarHBondContact O-N 2.58Å; E1039-W1043 WeakPolarHBondContact O-CB 3.4Å; E1039-W1043 PolarHBondContact O-N 3.38Å; E1039-W1065 HydrophobicContact CG-CZ2 4.32Å |
| 1040 | E | 90.6 | Very high | 88.9 | Confident | 87 Ų | 87 | 45 Ų | 45 | 41% | 0.407 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.8 | -36.1 | 174.9 | -61.1 | 85.7 | 165.7 | 0 | 0 | 111.3 | L1032 F1037 W1038 V1042 L1044 | L1032-E1040 HydrophobicContact CD1-CB 4.36Å; L1032-E1040 HydrophobicContact CD2-CB 4.42Å; F1037-E1040 VanDerWaalsContact C-OE2 3.26Å; F1037-E1040 VanDerWaalsContact CA-OE2 3.31Å; F1037-E1040 WeakPolarHBondContact CA-OE2 3.45Å; F1037-E1040 HydrophobicContact CB-CB 4.24Å; F1037-E1040 HydrophobicContact CB-CG 4.48Å; F1037-E1040 WeakPolarHBondContact CB-OE2 3.41Å; W1038-E1040 PolarHBondContact O-N 2.77Å; E1040-V1042 VanDerWaalsContact C-N 3.32Å; E1040-V1042 PolarHBondContact O-N 2.82Å; E1040-L1044 VanDerWaalsContact O-CB 3.28Å; E1040-L1044 WeakPolarHBondContact O-CB 3.46Å; E1040-L1044 PolarHBondContact O-N 3.49Å |
| 1041 | S | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -40.2 | 175.1 | 84 | 0 | 0 | 0 | 0 | 112 | C1029 Q1033 F1037 W1038 E1039 A1045 | C1029-S1041 PolarHBondContact SG-O 3.06Å; C1029-S1041 VanDerWaalsContact SG-O 3.34Å; Q1033-S1041 WeakPolarHBondContact CG-OG 3.47Å; F1037-S1041 WeakPolarHBondContact O-CB 3.34Å; F1037-S1041 PolarHBondContact O-N 3.49Å; W1038-S1041 WeakPolarHBondContact O-CB 3.48Å; W1038-S1041 PolarHBondContact O-N 3.15Å; W1038-S1041 PolarHBondContact O-OG 3.03Å; E1039-S1041 VanDerWaalsContact C-N 3.29Å; E1039-S1041 PolarHBondContact O-N 3.47Å; S1041-A1045 WeakPolarHBondContact O-CB 3.19Å; S1041-A1045 PolarHBondContact O-N 3.2Å |
| 1042 | V | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.9 | -45.6 | 178.7 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | F918 W1038 E1039 E1040 L1044 A1045 K1046 M1062 W1065 | F918-V1042 HydrophobicContact CB-CG1 4.37Å; F918-V1042 HydrophobicContact CD1-CG1 4.11Å; F918-V1042 HydrophobicContact CG-CG1 4.24Å; W1038-V1042 WeakPolarHBondContact O-CG2 3.28Å; W1038-V1042 PolarHBondContact O-N 3.47Å; W1038-V1042 VanDerWaalsContact O-N 3.1Å; E1039-V1042 PolarHBondContact O-N 2.58Å; E1040-V1042 VanDerWaalsContact C-N 3.32Å; E1040-V1042 PolarHBondContact O-N 2.82Å; V1042-L1044 VanDerWaalsContact C-N 3.29Å; V1042-L1044 PolarHBondContact O-N 3.29Å; V1042-A1045 PolarHBondContact O-N 3.05Å; V1042-K1046 HydrophobicContact CG1-CD 4.03Å; V1042-K1046 HydrophobicContact CG1-CG 4.36Å; V1042-K1046 WeakPolarHBondContact O-CG 3.18Å; V1042-K1046 PolarHBondContact O-N 2.96Å; V1042-M1062 HydrophobicContact CG1-CE 4.24Å; V1042-M1062 HydrophobicContact CG1-CG 4.12Å; V1042-M1062 HydrophobicContact CG1-SD 4.43Å; V1042-M1062 HydrophobicContact CG2-CG 4.43Å; V1042-W1065 HydrophobicContact CB-CE3 4.43Å; V1042-W1065 HydrophobicContact CG1-CE3 4.26Å; V1042-W1065 HydrophobicContact CG1-CZ3 4.22Å; V1042-W1065 HydrophobicContact CG2-CB 3.91Å; V1042-W1065 HydrophobicContact CG2-CD2 3.67Å; V1042-W1065 HydrophobicContact CG2-CE3 3.57Å; V1042-W1065 HydrophobicContact CG2-CG 3.85Å; V1042-W1065 HydrophobicContact CG2-CZ3 4.27Å |
| 1043 | W | 92.5 | Very high | 83.2 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 10% | 0.095 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.2 | -50.6 | 173.6 | -178.3 | 86.7 | 0 | 0 | 0 | 110.7 | F918 F925 E929 T952 L955 L956 E1039 A1045 K1046 A1047 | F918-W1043 HydrophobicContact CE1-CB 3.98Å; F918-W1043 HydrophobicContact CZ-CB 4.5Å; F925-W1043 AromaticContact CE1-CD1 3.8Å; F925-W1043 HydrophobicContact CE1-CG 4.47Å; F925-W1043 AromaticContact CZ-CD1 3.53Å; F925-W1043 HydrophobicContact CZ-CG 4.4Å; E929-W1043 VanDerWaalsContact CD-NE1 3.34Å; E929-W1043 PolarHBondContact OE2-NE1 3.18Å; T952-W1043 HydrophobicContact CG2-CH2 3.97Å; T952-W1043 HydrophobicContact CG2-CZ2 3.83Å; L955-W1043 HydrophobicContact CB-CH2 3.84Å; L955-W1043 HydrophobicContact CB-CZ3 3.62Å; L955-W1043 HydrophobicContact CD1-CH2 4.37Å; L955-W1043 HydrophobicContact CD1-CZ3 3.69Å; L955-W1043 HydrophobicContact CG-CZ3 4.3Å; L956-W1043 HydrophobicContact CD2-CZ2 4.3Å; L956-W1043 HydrophobicContact CG-CH2 4.23Å; L956-W1043 HydrophobicContact CG-CZ2 4.28Å; E1039-W1043 WeakPolarHBondContact O-CB 3.4Å; E1039-W1043 PolarHBondContact O-N 3.38Å; W1043-A1045 PolarHBondContact O-N 3.35Å; W1043-K1046 PolarHBondContact O-N 3.1Å; W1043-A1047 HydrophobicContact CD2-CB 4.32Å; W1043-A1047 HydrophobicContact CE3-CB 4.3Å; W1043-A1047 HydrophobicContact CH2-CB 4.15Å; W1043-A1047 HydrophobicContact CZ2-CB 4.18Å; W1043-A1047 HydrophobicContact CZ3-CB 4.19Å; W1043-A1047 WeakPolarHBondContact O-CB 3.28Å; W1043-A1047 PolarHBondContact O-N 3.03Å |
| 1044 | L | 92 | Very high | 82 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -45.2 | -179.9 | -174.5 | 71.2 | 0 | 0 | 0 | 111.3 | L955 I1016 A1028 L1032 E1040 V1042 A1047 C1048 | L955-L1044 HydrophobicContact CB-CD1 4.09Å; L955-L1044 HydrophobicContact CD1-CD1 4.19Å; L955-L1044 HydrophobicContact CD2-CD1 3.77Å; L955-L1044 HydrophobicContact CG-CD1 4.21Å; I1016-L1044 HydrophobicContact CG2-CD2 3.93Å; A1028-L1044 HydrophobicContact CB-CD2 3.66Å; L1032-L1044 HydrophobicContact CD1-CB 4.32Å; L1032-L1044 HydrophobicContact CD1-CD2 3.82Å; E1040-L1044 VanDerWaalsContact O-CB 3.28Å; E1040-L1044 WeakPolarHBondContact O-CB 3.46Å; E1040-L1044 PolarHBondContact O-N 3.49Å; V1042-L1044 VanDerWaalsContact C-N 3.29Å; V1042-L1044 PolarHBondContact O-N 3.29Å; L1044-A1047 PolarHBondContact O-N 2.61Å; L1044-C1048 WeakPolarHBondContact CD1-SG 3.48Å; L1044-C1048 WeakPolarHBondContact O-CB 3.32Å; L1044-C1048 PolarHBondContact O-N 3.37Å; L1044-C1048 PolarHBondContact O-SG 3Å |
| 1045 | A | 91.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -51.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1041 V1042 W1043 C1048 L1049 V1061 | S1041-A1045 WeakPolarHBondContact O-CB 3.19Å; S1041-A1045 PolarHBondContact O-N 3.2Å; V1042-A1045 PolarHBondContact O-N 3.05Å; W1043-A1045 PolarHBondContact O-N 3.35Å; A1045-C1048 PolarHBondContact O-N 2.97Å; A1045-L1049 HydrophobicContact CB-CD1 3.85Å; A1045-L1049 WeakPolarHBondContact O-CB 3.18Å; A1045-L1049 WeakPolarHBondContact O-CG 3.45Å; A1045-L1049 PolarHBondContact O-N 3.28Å; A1045-L1049 VanDerWaalsContact O-N 3.07Å; A1045-V1061 HydrophobicContact CB-CB 4.01Å; A1045-V1061 HydrophobicContact CB-CG1 3.87Å; A1045-V1061 HydrophobicContact CB-CG2 4.25Å |
| 1046 | K | 90.8 | Very high | 80.7 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -42.6 | -179.7 | -63.3 | -176.8 | 80.1 | 82.7 | 0 | 111.8 | F918 L920 N922 F925 R926 V1042 W1043 C1048 M1062 | F918-K1046 HydrophobicContact CD1-CD 4.44Å; F918-K1046 WeakPolarHBondContact O-CD 3.4Å; F918-K1046 WeakPolarHBondContact O-CE 3.02Å; F918-K1046 PolarHBondContact O-NZ 2.86Å; L920-K1046 WeakPolarHBondContact O-CE 2.92Å; L920-K1046 PolarHBondContact O-NZ 2.94Å; N922-K1046 PolarHBondContact OD1-NZ 3.36Å; F925-K1046 HydrophobicContact CD1-CB 3.47Å; F925-K1046 VanDerWaalsContact CD1-CB 3.47Å; F925-K1046 HydrophobicContact CD1-CD 4.3Å; F925-K1046 HydrophobicContact CD2-CD 4.34Å; F925-K1046 HydrophobicContact CE1-CB 3.74Å; F925-K1046 HydrophobicContact CE1-CD 4.43Å; F925-K1046 HydrophobicContact CE2-CD 4.48Å; F925-K1046 HydrophobicContact CG-CB 4.11Å; F925-K1046 HydrophobicContact CG-CD 4.23Å; R926-K1046 PolarHBondContact NE-O 2.66Å; R926-K1046 PolarHBondContact NH2-O 3.46Å; V1042-K1046 HydrophobicContact CG1-CD 4.03Å; V1042-K1046 HydrophobicContact CG1-CG 4.36Å; V1042-K1046 WeakPolarHBondContact O-CG 3.18Å; V1042-K1046 PolarHBondContact O-N 2.96Å; W1043-K1046 PolarHBondContact O-N 3.1Å; K1046-C1048 PolarHBondContact O-N 3.44Å; K1046-M1062 HydrophobicContact CD-SD 4.21Å; K1046-M1062 HydrophobicContact CG-SD 4.18Å |
| 1047 | A | 86.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -35.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R926 L956 W1043 L1044 | R926-A1047 PolarHBondContact NE-O 2.76Å; R926-A1047 PolarHBondContact NH2-O 3.1Å; L956-A1047 HydrophobicContact CD2-CB 3.92Å; W1043-A1047 HydrophobicContact CD2-CB 4.32Å; W1043-A1047 HydrophobicContact CE3-CB 4.3Å; W1043-A1047 HydrophobicContact CH2-CB 4.15Å; W1043-A1047 HydrophobicContact CZ2-CB 4.18Å; W1043-A1047 HydrophobicContact CZ3-CB 4.19Å; W1043-A1047 WeakPolarHBondContact O-CB 3.28Å; W1043-A1047 PolarHBondContact O-N 3.03Å; L1044-A1047 PolarHBondContact O-N 2.61Å |
| 1048 | C | 81.1 | Confident | 80.5 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -108.4 | -40.1 | -164.4 | -57 | 0 | 0 | 0 | 0 | 116.1 | L955 R1020 L1044 A1045 K1046 K1050 | L955-C1048 PolarHBondContact O-SG 3.35Å; R1020-C1048 VanDerWaalsContact CD-SG 3.51Å; R1020-C1048 PolarHBondContact NE-SG 2.87Å; L1044-C1048 WeakPolarHBondContact CD1-SG 3.48Å; L1044-C1048 WeakPolarHBondContact O-CB 3.32Å; L1044-C1048 PolarHBondContact O-N 3.37Å; L1044-C1048 PolarHBondContact O-SG 3Å; A1045-C1048 PolarHBondContact O-N 2.97Å; K1046-C1048 PolarHBondContact O-N 3.44Å; C1048-K1050 PolarHBondContact O-N 3.19Å |
| 1049 | L | 71.7 | Confident | 80.5 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -76.1 | 108.6 | -167.4 | -66.4 | 171.7 | 0 | 0 | 0 | 111.9 | R926 P1026 A1045 V1051 D1054 A1057 C1058 | R926-L1049 PolarHBondContact NH2-O 3.01Å; P1026-L1049 HydrophobicContact CG-CD2 3.93Å; A1045-L1049 HydrophobicContact CB-CD1 3.85Å; A1045-L1049 WeakPolarHBondContact O-CB 3.18Å; A1045-L1049 WeakPolarHBondContact O-CG 3.45Å; A1045-L1049 PolarHBondContact O-N 3.28Å; A1045-L1049 VanDerWaalsContact O-N 3.07Å; L1049-V1051 PolarHBondContact O-N 3.31Å; L1049-D1054 HydrophobicContact CB-CB 3.72Å; L1049-D1054 HydrophobicContact CD2-CB 3.98Å; L1049-D1054 HydrophobicContact CG-CB 4.4Å; L1049-A1057 HydrophobicContact CD1-CB 4.02Å; L1049-A1057 HydrophobicContact CD2-CB 4.4Å; L1049-C1058 HydrophobicContact CB-CB 4.3Å; L1049-C1058 HydrophobicContact CD1-CB 3.77Å |
| 1050 | K | 63.7 | Low | 80.6 | Confident | 130 Ų | 130 | 46 Ų | 46 | 57% | 0.565 | 26% | 0.258 | S | S | * | . | trans | -57.5 | 138.6 | -167.4 | -73.8 | 178.8 | 179.4 | 173.1 | 0 | 112.2 | C1048 A1052 L1053 D1054 | C1048-K1050 PolarHBondContact O-N 3.19Å; K1050-A1052 PolarHBondContact O-N 3.41Å; K1050-L1053 PolarHBondContact O-N 2.85Å; K1050-D1054 PolarHBondContact N-OD2 2.9Å; K1050-D1054 PolarHBondContact O-N 2.8Å; K1050-D1054 VanDerWaalsContact O-N 3.09Å | ||
| 1051 | V | 56.6 | Low | 80.7 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 35% | 0.352 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.3 | -164.1 | -179.7 | 0 | 0 | 0 | 0 | 115.1 | E923 L1049 T1055 | E923-V1051 HydrophobicContact CG-CB 4.27Å; E923-V1051 HydrophobicContact CG-CG1 3.87Å; E923-V1051 HydrophobicContact CG-CG2 3.4Å; L1049-V1051 PolarHBondContact O-N 3.31Å; V1051-T1055 PolarHBondContact O-OG1 2.74Å |
| 1052 | A | 52.4 | Low | 80.7 | Confident | 95 Ų | 95 | 42.4 Ų | 42.4 | 79% | 0.785 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -24.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1050 | K1050-A1052 PolarHBondContact O-N 3.41Š|
| 1053 | L | 53.8 | Low | 80.8 | Confident | 152 Ų | 152 | 43.8 Ų | 43.8 | 80% | 0.796 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | -26.5 | -170.5 | -80.6 | 144.8 | 0 | 0 | 0 | 113.2 | K1050 | K1050-L1053 PolarHBondContact O-N 2.85Š|
| 1054 | D | 68.2 | Low | 80.9 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -121.6 | 13.9 | -171.7 | -58.7 | -46.1 | 0 | 0 | 0 | 113.4 | L1049 K1050 E1056 A1057 C1058 | L1049-D1054 HydrophobicContact CB-CB 3.72Å; L1049-D1054 HydrophobicContact CD2-CB 3.98Å; L1049-D1054 HydrophobicContact CG-CB 4.4Å; K1050-D1054 PolarHBondContact N-OD2 2.9Å; K1050-D1054 PolarHBondContact O-N 2.8Å; K1050-D1054 VanDerWaalsContact O-N 3.09Å; D1054-E1056 PolarHBondContact O-N 2.88Å; D1054-A1057 WeakPolarHBondContact O-CB 3.46Å; D1054-A1057 PolarHBondContact O-N 3.26Å; D1054-C1058 PolarHBondContact O-N 2.95Å; D1054-C1058 VanDerWaalsContact O-N 3.1Å |
| 1055 | T | 74.2 | Confident | 81 | Confident | 59 Ų | 59 | 47.4 Ų | 47.4 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.7 | -37.2 | -177.9 | -48 | 0 | 0 | 0 | 0 | 111.4 | V1051 A1057 C1058 T1059 | V1051-T1055 PolarHBondContact O-OG1 2.74Å; T1055-A1057 VanDerWaalsContact C-N 3.32Å; T1055-A1057 PolarHBondContact O-N 2.9Å; T1055-C1058 PolarHBondContact O-N 3.03Å; T1055-T1059 WeakPolarHBondContact O-CB 3.49Å; T1055-T1059 PolarHBondContact O-N 3.35Å; T1055-T1059 PolarHBondContact O-OG1 3.15Å |
| 1056 | E | 82.3 | Confident | 81.1 | Confident | 170 Ų | 170 | 47.7 Ų | 47.7 | 79% | 0.794 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.9 | -39.8 | 173.9 | -67.1 | -172.3 | 169.6 | 0 | 0 | 112.5 | D1054 T1059 A1060 | D1054-E1056 PolarHBondContact O-N 2.88Å; E1056-T1059 PolarHBondContact O-N 2.96Å; E1056-A1060 WeakPolarHBondContact O-CB 3.21Å; E1056-A1060 PolarHBondContact O-N 2.91Å |
| 1057 | A | 86.4 | Confident | 81.2 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1026 L1049 D1054 T1055 A1060 V1061 | P1026-A1057 HydrophobicContact CG-CB 4.25Å; L1049-A1057 HydrophobicContact CD1-CB 4.02Å; L1049-A1057 HydrophobicContact CD2-CB 4.4Å; D1054-A1057 WeakPolarHBondContact O-CB 3.46Å; D1054-A1057 PolarHBondContact O-N 3.26Å; T1055-A1057 VanDerWaalsContact C-N 3.32Å; T1055-A1057 PolarHBondContact O-N 2.9Å; A1057-A1060 PolarHBondContact O-N 2.95Å; A1057-V1061 WeakPolarHBondContact O-CG2 3.28Å; A1057-V1061 PolarHBondContact O-N 2.79Å; A1057-V1061 VanDerWaalsContact O-N 3.08Å |
| 1058 | C | 88.8 | Confident | 81.5 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 175.9 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | L1049 D1054 T1055 A1060 V1061 M1062 | L1049-C1058 HydrophobicContact CB-CB 4.3Å; L1049-C1058 HydrophobicContact CD1-CB 3.77Å; D1054-C1058 PolarHBondContact O-N 2.95Å; D1054-C1058 VanDerWaalsContact O-N 3.1Å; T1055-C1058 PolarHBondContact O-N 3.03Å; C1058-A1060 VanDerWaalsContact C-N 3.3Å; C1058-A1060 PolarHBondContact O-N 3.01Å; C1058-V1061 PolarHBondContact O-N 3.35Å; C1058-M1062 PolarHBondContact O-N 2.77Å |
| 1059 | T | 90.4 | Very high | 81.8 | Confident | 31 Ų | 31 | 55 Ų | 55 | 19% | 0.19 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.4 | -42.6 | 175 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | T1055 E1056 V1061 M1062 L1063 L1087 | T1055-T1059 WeakPolarHBondContact O-CB 3.49Å; T1055-T1059 PolarHBondContact O-N 3.35Å; T1055-T1059 PolarHBondContact O-OG1 3.15Å; E1056-T1059 PolarHBondContact O-N 2.96Å; T1059-V1061 PolarHBondContact O-N 3.02Å; T1059-M1062 PolarHBondContact O-N 2.92Å; T1059-L1063 HydrophobicContact CG2-CD1 4.05Å; T1059-L1063 HydrophobicContact CG2-CG 4.26Å; T1059-L1063 WeakPolarHBondContact O-CB 3.4Å; T1059-L1063 VanDerWaalsContact O-CG 3.26Å; T1059-L1063 WeakPolarHBondContact O-CG 3.4Å; T1059-L1063 PolarHBondContact O-N 3.09Å; T1059-L1087 HydrophobicContact CG2-CD1 4.38Å; T1059-L1087 HydrophobicContact CG2-CD2 4.34Å |
| 1060 | A | 92.2 | Very high | 82.5 | Confident | 47 Ų | 47 | 56.3 Ų | 56.3 | 39% | 0.388 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | E1056 A1057 C1058 K1064 | E1056-A1060 WeakPolarHBondContact O-CB 3.21Å; E1056-A1060 PolarHBondContact O-N 2.91Å; A1057-A1060 PolarHBondContact O-N 2.95Å; C1058-A1060 VanDerWaalsContact C-N 3.3Å; C1058-A1060 PolarHBondContact O-N 3.01Å; A1060-K1064 PolarHBondContact O-N 3.48Å |
| 1061 | V | 93.4 | Very high | 83.6 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -48.3 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | C1029 Q1033 A1045 A1057 C1058 T1059 L1063 K1064 W1065 | C1029-V1061 HydrophobicContact CB-CG1 4.22Å; C1029-V1061 HydrophobicContact CB-CG2 3.67Å; Q1033-V1061 PolarHBondContact NE2-O 2.83Å; Q1033-V1061 VanDerWaalsContact NE2-O 3.13Å; A1045-V1061 HydrophobicContact CB-CB 4.01Å; A1045-V1061 HydrophobicContact CB-CG1 3.87Å; A1045-V1061 HydrophobicContact CB-CG2 4.25Å; A1057-V1061 WeakPolarHBondContact O-CG2 3.28Å; A1057-V1061 PolarHBondContact O-N 2.79Å; A1057-V1061 VanDerWaalsContact O-N 3.08Å; C1058-V1061 PolarHBondContact O-N 3.35Å; T1059-V1061 PolarHBondContact O-N 3.02Å; V1061-L1063 VanDerWaalsContact C-N 3.35Å; V1061-L1063 PolarHBondContact O-N 3.04Å; V1061-K1064 PolarHBondContact O-N 3.48Å; V1061-W1065 PolarHBondContact O-N 3.4Å; V1061-W1065 VanDerWaalsContact O-N 3.12Å |
| 1062 | M | 93.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.9 | -32.7 | -179.6 | -67.1 | -171.4 | 71.6 | 0 | 0 | 112.6 | V1042 K1046 C1058 T1059 W1065 A1066 V1083 L1087 | V1042-M1062 HydrophobicContact CG1-CE 4.24Å; V1042-M1062 HydrophobicContact CG1-CG 4.12Å; V1042-M1062 HydrophobicContact CG1-SD 4.43Å; V1042-M1062 HydrophobicContact CG2-CG 4.43Å; K1046-M1062 HydrophobicContact CD-SD 4.21Å; K1046-M1062 HydrophobicContact CG-SD 4.18Å; C1058-M1062 PolarHBondContact O-N 2.77Å; T1059-M1062 PolarHBondContact O-N 2.92Å; M1062-W1065 WeakPolarHBondContact O-CB 3.45Å; M1062-W1065 PolarHBondContact O-N 3.2Å; M1062-A1066 PolarHBondContact O-N 2.89Å; M1062-V1083 HydrophobicContact CB-CG1 4.38Å; M1062-V1083 HydrophobicContact CE-CG1 4.13Å; M1062-L1087 HydrophobicContact CB-CD1 3.66Å; M1062-L1087 HydrophobicContact CB-CD2 4.08Å; M1062-L1087 HydrophobicContact CB-CG 4.33Å; M1062-L1087 HydrophobicContact CE-CD2 4.41Å; M1062-L1087 HydrophobicContact SD-CD2 3.82Å |
| 1063 | L | 94.8 | Very high | 85.8 | Confident | 29 Ų | 29 | 59.4 Ų | 59.4 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 173.3 | -81.9 | 175.8 | 0 | 0 | 0 | 112 | T1059 V1061 W1065 A1066 E1067 L1084 L1087 Q1089 K1092 | T1059-L1063 HydrophobicContact CG2-CD1 4.05Å; T1059-L1063 HydrophobicContact CG2-CG 4.26Å; T1059-L1063 WeakPolarHBondContact O-CB 3.4Å; T1059-L1063 VanDerWaalsContact O-CG 3.26Å; T1059-L1063 WeakPolarHBondContact O-CG 3.4Å; T1059-L1063 PolarHBondContact O-N 3.09Å; V1061-L1063 VanDerWaalsContact C-N 3.35Å; V1061-L1063 PolarHBondContact O-N 3.04Å; L1063-W1065 VanDerWaalsContact C-N 3.27Å; L1063-W1065 PolarHBondContact O-N 3.19Å; L1063-A1066 WeakPolarHBondContact O-CB 3.27Å; L1063-A1066 PolarHBondContact O-N 3.23Å; L1063-E1067 WeakPolarHBondContact O-CG 3.44Å; L1063-E1067 PolarHBondContact O-N 3.34Å; L1063-L1084 HydrophobicContact CD2-CD2 3.53Å; L1063-L1087 HydrophobicContact CD2-CD1 4.23Å; L1063-L1087 HydrophobicContact CG-CD1 4.19Å; L1063-Q1089 HydrophobicContact CD2-CG 4Å; L1063-K1092 HydrophobicContact CD2-CD 4.2Å |
| 1064 | K | 94.6 | Very high | 86.9 | Confident | 95 Ų | 95 | 52.7 Ų | 52.7 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 175 | -72.2 | -179.3 | 177.8 | -175.6 | 0 | 112.3 | W1038 A1060 V1061 E1067 H1068 | W1038-K1064 HydrophobicContact CZ3-CB 4.25Å; A1060-K1064 PolarHBondContact O-N 3.48Å; V1061-K1064 PolarHBondContact O-N 3.48Å; K1064-E1067 PolarHBondContact O-N 3.2Å; K1064-H1068 PolarHBondContact O-N 2.95Å |
| 1065 | W | 93.8 | Very high | 87.4 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 3% | 0.034 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 174.1 | -178.6 | 43.7 | 0 | 0 | 0 | 111.6 | F918 W1038 E1039 V1042 V1061 M1062 L1063 E1067 H1068 L1069 L1079 V1083 | F918-W1065 HydrophobicContact CB-CH2 4.5Å; F918-W1065 HydrophobicContact CB-CZ3 4.43Å; F918-W1065 HydrophobicContact CD2-CH2 4.02Å; W1038-W1065 HydrophobicContact CE3-CB 4.25Å; E1039-W1065 HydrophobicContact CG-CZ2 4.32Å; V1042-W1065 HydrophobicContact CB-CE3 4.43Å; V1042-W1065 HydrophobicContact CG1-CE3 4.26Å; V1042-W1065 HydrophobicContact CG1-CZ3 4.22Å; V1042-W1065 HydrophobicContact CG2-CB 3.91Å; V1042-W1065 HydrophobicContact CG2-CD2 3.67Å; V1042-W1065 HydrophobicContact CG2-CE3 3.57Å; V1042-W1065 HydrophobicContact CG2-CG 3.85Å; V1042-W1065 HydrophobicContact CG2-CZ3 4.27Å; V1061-W1065 PolarHBondContact O-N 3.4Å; V1061-W1065 VanDerWaalsContact O-N 3.12Å; M1062-W1065 WeakPolarHBondContact O-CB 3.45Å; M1062-W1065 PolarHBondContact O-N 3.2Å; L1063-W1065 VanDerWaalsContact C-N 3.27Å; L1063-W1065 PolarHBondContact O-N 3.19Å; W1065-E1067 VanDerWaalsContact C-N 3.29Å; W1065-E1067 PolarHBondContact O-N 3.46Å; W1065-H1068 WeakPolarHBondContact O-CB 3.4Å; W1065-H1068 PolarHBondContact O-N 3Å; W1065-H1068 VanDerWaalsContact O-N 3.11Å; W1065-L1069 HydrophobicContact CD2-CD1 3.87Å; W1065-L1069 HydrophobicContact CD2-CG 4.38Å; W1065-L1069 HydrophobicContact CE3-CD1 4.28Å; W1065-L1069 HydrophobicContact CG-CD1 4.34Å; W1065-L1069 HydrophobicContact CG-CG 4.42Å; W1065-L1069 HydrophobicContact CH2-CD1 4.34Å; W1065-L1069 HydrophobicContact CZ2-CD1 3.92Å; W1065-L1069 HydrophobicContact CZ2-CD2 4.41Å; W1065-L1069 VanDerWaalsContact O-CG 3.32Å; W1065-L1069 WeakPolarHBondContact O-CG 3.42Å; W1065-L1069 PolarHBondContact O-N 3.49Å; W1065-L1079 HydrophobicContact CZ2-CD2 4.44Å; W1065-V1083 HydrophobicContact CE3-CG1 4.2Å; W1065-V1083 HydrophobicContact CE3-CG2 3.85Å; W1065-V1083 HydrophobicContact CH2-CG2 4.21Å; W1065-V1083 HydrophobicContact CZ3-CG2 3.5Å; W1065-V1083 VanDerWaalsContact CZ3-CG2 3.5Å |
| 1066 | A | 93.9 | Very high | 87.7 | Confident | 5 Ų | 5 | 49 Ų | 49 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1062 L1063 L1069 G1070 A1080 V1083 L1084 | M1062-A1066 PolarHBondContact O-N 2.89Å; L1063-A1066 WeakPolarHBondContact O-CB 3.27Å; L1063-A1066 PolarHBondContact O-N 3.23Å; A1066-L1069 PolarHBondContact O-N 3.35Å; A1066-G1070 PolarHBondContact O-N 2.82Å; A1066-A1080 HydrophobicContact CB-CB 4.46Å; A1066-A1080 WeakPolarHBondContact O-CB 3.28Å; A1066-V1083 HydrophobicContact CB-CB 4.32Å; A1066-V1083 HydrophobicContact CB-CG1 3.96Å; A1066-L1084 HydrophobicContact CB-CD2 4.17Å; A1066-L1084 HydrophobicContact CB-CG 4.01Å |
| 1067 | E | 93.1 | Very high | 87.8 | Confident | 121 Ų | 121 | 45.7 Ų | 45.7 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 173.1 | -72 | 167.7 | -168.9 | 0 | 0 | 111.9 | L1063 K1064 W1065 G1070 S1071 | L1063-E1067 WeakPolarHBondContact O-CG 3.44Å; L1063-E1067 PolarHBondContact O-N 3.34Å; K1064-E1067 PolarHBondContact O-N 3.2Å; W1065-E1067 VanDerWaalsContact C-N 3.29Å; W1065-E1067 PolarHBondContact O-N 3.46Å; E1067-G1070 PolarHBondContact O-N 2.98Å; E1067-S1071 PolarHBondContact O-N 3.08Å; E1067-S1071 VanDerWaalsContact O-N 3.15Å |
| 1068 | H | 92 | Very high | 87.7 | Confident | 42 Ų | 42 | 45.8 Ų | 45.8 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 174 | 174 | 65.8 | 0 | 0 | 0 | 112 | W1038 K1064 W1065 G1070 S1071 A1074 | W1038-H1068 AromaticContact CD1-CD2 3.47Å; W1038-H1068 VanDerWaalsContact CD1-CD2 3.47Å; W1038-H1068 AromaticContact CD1-NE2 3.46Å; W1038-H1068 HydrophobicContact CD2-CB 4.04Å; W1038-H1068 AromaticContact CD2-CD2 3.77Å; W1038-H1068 AromaticContact CD2-CG 3.84Å; W1038-H1068 AromaticContact CE2-CD2 3.61Å; W1038-H1068 AromaticContact CE2-CG 3.4Å; W1038-H1068 AromaticContact CE2-ND1 3.7Å; W1038-H1068 HydrophobicContact CE3-CB 4.09Å; W1038-H1068 AromaticContact CG-CD2 3.71Å; W1038-H1068 HydrophobicContact CH2-CB 3.79Å; W1038-H1068 HydrophobicContact CZ2-CB 3.72Å; W1038-H1068 AromaticContact CZ2-CG 3.63Å; W1038-H1068 AromaticContact CZ2-ND1 3.76Å; W1038-H1068 HydrophobicContact CZ3-CB 3.97Å; W1038-H1068 AromaticContact NE1-CD2 3.4Å; W1038-H1068 PolarHBondContact NE1-CD2 2.6Å; W1038-H1068 AromaticContact NE1-CE1 3.47Å; W1038-H1068 PolarHBondContact NE1-CE1 3.32Å; W1038-H1068 AromaticContact NE1-CG 3.56Å; W1038-H1068 AromaticContact NE1-ND1 3.6Å; W1038-H1068 AromaticContact NE1-NE2 3.34Å; W1038-H1068 PolarHBondContact NE1-NE2 3.13Å; K1064-H1068 PolarHBondContact O-N 2.95Å; W1065-H1068 WeakPolarHBondContact O-CB 3.4Å; W1065-H1068 PolarHBondContact O-N 3Å; W1065-H1068 VanDerWaalsContact O-N 3.11Å; H1068-G1070 VanDerWaalsContact C-N 3.26Å; H1068-G1070 PolarHBondContact O-N 2.81Å; H1068-S1071 WeakPolarHBondContact O-CB 3.06Å; H1068-S1071 PolarHBondContact O-N 2.91Å; H1068-S1071 PolarHBondContact O-OG 3.43Å; H1068-A1074 WeakPolarHBondContact O-CB 3.25Å |
| 1069 | L | 88.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -37.9 | 177 | -69.9 | 175.3 | 0 | 0 | 0 | 112 | W1065 A1066 S1071 Q1076 L1079 A1080 V1083 | W1065-L1069 HydrophobicContact CD2-CD1 3.87Å; W1065-L1069 HydrophobicContact CD2-CG 4.38Å; W1065-L1069 HydrophobicContact CE3-CD1 4.28Å; W1065-L1069 HydrophobicContact CG-CD1 4.34Å; W1065-L1069 HydrophobicContact CG-CG 4.42Å; W1065-L1069 HydrophobicContact CH2-CD1 4.34Å; W1065-L1069 HydrophobicContact CZ2-CD1 3.92Å; W1065-L1069 HydrophobicContact CZ2-CD2 4.41Å; W1065-L1069 VanDerWaalsContact O-CG 3.32Å; W1065-L1069 WeakPolarHBondContact O-CG 3.42Å; W1065-L1069 PolarHBondContact O-N 3.49Å; A1066-L1069 PolarHBondContact O-N 3.35Å; L1069-S1071 VanDerWaalsContact C-N 3.26Å; L1069-S1071 PolarHBondContact O-N 3.32Å; L1069-Q1076 HydrophobicContact CB-CB 4.31Å; L1069-Q1076 HydrophobicContact CD2-CB 4.09Å; L1069-Q1076 VanDerWaalsContact CD2-OE1 3.31Å; L1069-Q1076 CarbonylContact O-C 3.49Å; L1069-Q1076 WeakPolarHBondContact O-CA 3.38Å; L1069-Q1076 PolarHBondContact O-N 3.02Å; L1069-L1079 HydrophobicContact CD1-CB 4.37Å; L1069-L1079 HydrophobicContact CD1-CD2 3.91Å; L1069-L1079 HydrophobicContact CD1-CG 3.85Å; L1069-L1079 HydrophobicContact CD2-CD2 4.07Å; L1069-A1080 HydrophobicContact CB-CB 3.76Å; L1069-V1083 HydrophobicContact CD1-CG2 4.21Å |
| 1070 | G | 85.6 | Confident | 87.5 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | A1066 E1067 H1068 | A1066-G1070 PolarHBondContact O-N 2.82Å; E1067-G1070 PolarHBondContact O-N 2.98Å; H1068-G1070 VanDerWaalsContact C-N 3.26Å; H1068-G1070 PolarHBondContact O-N 2.81Å |
| 1071 | S | 86.2 | Confident | 87.5 | Confident | 37 Ų | 37 | 43 Ų | 43 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -66.3 | 161.6 | 178.8 | 76.8 | 0 | 0 | 0 | 0 | 112.1 | E1067 H1068 L1069 E1073 A1074 C1075 | E1067-S1071 PolarHBondContact O-N 3.08Å; E1067-S1071 VanDerWaalsContact O-N 3.15Å; H1068-S1071 WeakPolarHBondContact O-CB 3.06Å; H1068-S1071 PolarHBondContact O-N 2.91Å; H1068-S1071 PolarHBondContact O-OG 3.43Å; L1069-S1071 VanDerWaalsContact C-N 3.26Å; L1069-S1071 PolarHBondContact O-N 3.32Å; S1071-E1073 PolarHBondContact O-N 2.7Å; S1071-E1073 PolarHBondContact OG-N 2.93Å; S1071-A1074 PolarHBondContact OG-N 3.42Å; S1071-C1075 WeakPolarHBondContact O-CA 3.27Å; S1071-C1075 PolarHBondContact O-N 3.37Å |
| 1072 | T | 78 | Confident | 87.5 | Confident | 140 Ų | 140 | 42.9 Ų | 42.9 | 86% | 0.859 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.7 | 175.9 | 46.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 1073 | E | 77 | Confident | 87.5 | Confident | 172 Ų | 172 | 42.9 Ų | 42.9 | 80% | 0.804 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -48.6 | -179.3 | -65.9 | -177.2 | 172.6 | 0 | 0 | 111.9 | S1071 | S1071-E1073 PolarHBondContact O-N 2.7Å; S1071-E1073 PolarHBondContact OG-N 2.93Å |
| 1074 | A | 77.2 | Confident | 87.4 | Confident | 11 Ų | 11 | 41.9 Ų | 41.9 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -39.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H1068 S1071 Q1076 | H1068-A1074 WeakPolarHBondContact O-CB 3.25Å; S1071-A1074 PolarHBondContact OG-N 3.42Å; A1074-Q1076 VanDerWaalsContact C-N 3.3Å; A1074-Q1076 PolarHBondContact O-N 3.1Å |
| 1075 | C | 78.3 | Confident | 87.4 | Confident | 27 Ų | 27 | 37.3 Ų | 37.3 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | trans | 50.8 | 44 | 179.6 | -153.4 | 0 | 0 | 0 | 0 | 114.6 | D120 A121 S1071 | D120-C1075 PolarHBondContact N-O 2.77Å; A121-C1075 WeakPolarHBondContact CB-SG 3.46Å; S1071-C1075 WeakPolarHBondContact O-CA 3.27Å; S1071-C1075 PolarHBondContact O-N 3.37Å | ||
| 1076 | Q | 81.1 | Confident | 87.4 | Confident | 16 Ų | 16 | 38 Ų | 38 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | trans | -118.9 | 57.7 | -179.5 | -74.2 | 176.6 | 25.1 | 0 | 0 | 110.2 | W118 L1069 A1074 T1078 L1079 A1080 | W118-Q1076 VanDerWaalsContact O-CG 3.26Å; W118-Q1076 WeakPolarHBondContact O-CG 3.21Å; L1069-Q1076 HydrophobicContact CB-CB 4.31Å; L1069-Q1076 HydrophobicContact CD2-CB 4.09Å; L1069-Q1076 VanDerWaalsContact CD2-OE1 3.31Å; L1069-Q1076 CarbonylContact O-C 3.49Å; L1069-Q1076 WeakPolarHBondContact O-CA 3.38Å; L1069-Q1076 PolarHBondContact O-N 3.02Å; A1074-Q1076 VanDerWaalsContact C-N 3.3Å; A1074-Q1076 PolarHBondContact O-N 3.1Å; Q1076-T1078 VanDerWaalsContact C-N 3.31Å; Q1076-T1078 PolarHBondContact O-N 2.68Å; Q1076-L1079 HydrophobicContact CB-CB 4.27Å; Q1076-L1079 PolarHBondContact O-N 2.64Å; Q1076-A1080 WeakPolarHBondContact O-CB 3.41Å; Q1076-A1080 PolarHBondContact O-N 3.09Å | ||
| 1077 | K | 83.9 | Confident | 87.2 | Confident | 99 Ų | 99 | 39.1 Ų | 39.1 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65 | -36.7 | -178.1 | -67.1 | -175.8 | 177.5 | -177.2 | 0 | 111.7 | D120 A1080 L1081 M1100 | D120-K1077 WeakPolarHBondContact OD2-CA 3.43Å; D120-K1077 WeakPolarHBondContact OD2-CB 3.23Å; D120-K1077 PolarHBondContact OD2-N 3.12Å; K1077-A1080 WeakPolarHBondContact O-CB 3.35Å; K1077-A1080 PolarHBondContact O-N 3.21Å; K1077-L1081 WeakPolarHBondContact O-CB 3.41Å; K1077-L1081 PolarHBondContact O-N 2.68Å; K1077-M1100 HydrophobicContact CB-CE 3.79Å; K1077-M1100 HydrophobicContact CB-SD 3.99Å; K1077-M1100 HydrophobicContact CD-CE 4.47Å |
| 1078 | T | 84.4 | Confident | 87.2 | Confident | 30 Ų | 30 | 34 Ų | 34 | 18% | 0.184 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 175 | 44.1 | 0 | 0 | 0 | 0 | 111.6 | P65 D120 W889 Q1076 L1081 L1082 M1100 | P65-T1078 HydrophobicContact CG-CG2 3.55Å; D120-T1078 WeakPolarHBondContact OD1-CG2 3.24Å; D120-T1078 PolarHBondContact OD1-OG1 3.33Å; D120-T1078 PolarHBondContact OD2-N 2.88Å; D120-T1078 PolarHBondContact OD2-OG1 3.29Å; W889-T1078 HydrophobicContact CD2-CG2 4.18Å; W889-T1078 HydrophobicContact CE3-CG2 3.67Å; W889-T1078 HydrophobicContact CZ3-CG2 3.86Å; W889-T1078 WeakPolarHBondContact CZ3-O 3.28Å; Q1076-T1078 VanDerWaalsContact C-N 3.31Å; Q1076-T1078 PolarHBondContact O-N 2.68Å; T1078-L1081 PolarHBondContact O-N 3.28Å; T1078-L1082 PolarHBondContact O-N 3.28Å; T1078-L1082 VanDerWaalsContact O-N 3.11Å; T1078-M1100 HydrophobicContact CG2-CE 4.35Å |
| 1079 | L | 86.1 | Confident | 87.2 | Confident | 21 Ų | 21 | 34.6 Ų | 34.6 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.7 | -176.3 | 61.3 | 0 | 0 | 0 | 112 | F916 W1065 L1069 Q1076 L1081 L1082 V1083 | F916-L1079 HydrophobicContact CD1-CD1 4.13Å; F916-L1079 HydrophobicContact CD2-CD1 4.36Å; F916-L1079 HydrophobicContact CE1-CD1 3.89Å; F916-L1079 HydrophobicContact CE2-CD1 4.19Å; F916-L1079 HydrophobicContact CG-CD1 4.39Å; F916-L1079 HydrophobicContact CZ-CD1 3.96Å; W1065-L1079 HydrophobicContact CZ2-CD2 4.44Å; L1069-L1079 HydrophobicContact CD1-CB 4.37Å; L1069-L1079 HydrophobicContact CD1-CD2 3.91Å; L1069-L1079 HydrophobicContact CD1-CG 3.85Å; L1069-L1079 HydrophobicContact CD2-CD2 4.07Å; Q1076-L1079 HydrophobicContact CB-CB 4.27Å; Q1076-L1079 PolarHBondContact O-N 2.64Å; L1079-L1081 PolarHBondContact O-N 2.95Å; L1079-L1082 PolarHBondContact O-N 3.23Å; L1079-L1082 VanDerWaalsContact O-N 3.15Å; L1079-V1083 WeakPolarHBondContact O-CG2 3.28Å; L1079-V1083 PolarHBondContact O-N 3.34Å |
| 1080 | A | 90.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.9 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1066 L1069 Q1076 K1077 V1083 L1084 | A1066-A1080 HydrophobicContact CB-CB 4.46Å; A1066-A1080 WeakPolarHBondContact O-CB 3.28Å; L1069-A1080 HydrophobicContact CB-CB 3.76Å; Q1076-A1080 WeakPolarHBondContact O-CB 3.41Å; Q1076-A1080 PolarHBondContact O-N 3.09Å; K1077-A1080 WeakPolarHBondContact O-CB 3.35Å; K1077-A1080 PolarHBondContact O-N 3.21Å; A1080-V1083 WeakPolarHBondContact O-CB 3.23Å; A1080-V1083 PolarHBondContact O-N 3.44Å; A1080-L1084 VanDerWaalsContact O-CG 3.32Å; A1080-L1084 WeakPolarHBondContact O-CG 3.26Å; A1080-L1084 PolarHBondContact O-N 2.88Å |
| 1081 | L | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71 | -39.8 | 180 | -156.5 | 162.9 | 0 | 0 | 0 | 111.5 | W889 F893 K1077 T1078 L1079 V1083 L1084 L1085 V1093 I1096 L1097 M1100 | W889-L1081 HydrophobicContact CH2-CB 3.92Å; W889-L1081 HydrophobicContact CH2-CD1 4.01Å; W889-L1081 HydrophobicContact CH2-CD2 3.85Å; W889-L1081 HydrophobicContact CH2-CG 4.13Å; W889-L1081 HydrophobicContact CZ2-CD1 4Å; W889-L1081 HydrophobicContact CZ2-CD2 4.12Å; F893-L1081 HydrophobicContact CD2-CD2 3.7Å; F893-L1081 HydrophobicContact CE2-CD2 3.43Å; F893-L1081 VanDerWaalsContact CE2-CD2 3.43Å; K1077-L1081 WeakPolarHBondContact O-CB 3.41Å; K1077-L1081 PolarHBondContact O-N 2.68Å; T1078-L1081 PolarHBondContact O-N 3.28Å; L1079-L1081 PolarHBondContact O-N 2.95Å; L1081-V1083 VanDerWaalsContact C-N 3.31Å; L1081-V1083 PolarHBondContact O-N 2.84Å; L1081-L1084 PolarHBondContact O-N 3.07Å; L1081-L1085 VanDerWaalsContact O-CB 3.29Å; L1081-L1085 WeakPolarHBondContact O-CB 3.18Å; L1081-L1085 PolarHBondContact O-N 3.5Å; L1081-V1093 HydrophobicContact CD2-CG1 3.9Å; L1081-I1096 HydrophobicContact CD1-CB 4.16Å; L1081-I1096 HydrophobicContact CD1-CG2 3.66Å; L1081-I1096 HydrophobicContact CG-CG2 4.26Å; L1081-L1097 HydrophobicContact CD1-CD2 3.68Å; L1081-L1097 HydrophobicContact CD1-CG 3.97Å; L1081-L1097 HydrophobicContact CD2-CD2 4.21Å; L1081-L1097 HydrophobicContact CD2-CG 4.34Å; L1081-M1100 HydrophobicContact CD1-SD 3.94Å |
| 1082 | L | 92.2 | Very high | 88.1 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 171 | -63.2 | 179.7 | 0 | 0 | 0 | 112.1 | W889 C892 F893 V896 L919 T1078 L1079 L1085 S1086 | W889-L1082 HydrophobicContact CH2-CD2 4.4Å; W889-L1082 HydrophobicContact CZ3-CD2 4.04Å; W889-L1082 HydrophobicContact CZ3-CG 4.03Å; C892-L1082 HydrophobicContact CB-CD1 4.25Å; C892-L1082 HydrophobicContact CB-CD2 4.42Å; F893-L1082 HydrophobicContact CB-CD2 4.38Å; V896-L1082 HydrophobicContact CB-CD2 4.46Å; V896-L1082 HydrophobicContact CG2-CD2 4.21Å; L919-L1082 HydrophobicContact CD1-CB 4.02Å; L919-L1082 HydrophobicContact CD1-CD1 4.5Å; L919-L1082 HydrophobicContact CD2-CB 4.4Å; T1078-L1082 PolarHBondContact O-N 3.28Å; T1078-L1082 VanDerWaalsContact O-N 3.11Å; L1079-L1082 PolarHBondContact O-N 3.23Å; L1079-L1082 VanDerWaalsContact O-N 3.15Å; L1082-L1085 PolarHBondContact O-N 2.95Å; L1082-S1086 PolarHBondContact O-N 3.29Å |
| 1083 | V | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.4 | -50.4 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L919 M1062 W1065 A1066 L1069 L1079 A1080 L1081 L1085 S1086 L1087 | L919-V1083 HydrophobicContact CD2-CG2 4.02Å; M1062-V1083 HydrophobicContact CB-CG1 4.38Å; M1062-V1083 HydrophobicContact CE-CG1 4.13Å; W1065-V1083 HydrophobicContact CE3-CG1 4.2Å; W1065-V1083 HydrophobicContact CE3-CG2 3.85Å; W1065-V1083 HydrophobicContact CH2-CG2 4.21Å; W1065-V1083 HydrophobicContact CZ3-CG2 3.5Å; W1065-V1083 VanDerWaalsContact CZ3-CG2 3.5Å; A1066-V1083 HydrophobicContact CB-CB 4.32Å; A1066-V1083 HydrophobicContact CB-CG1 3.96Å; L1069-V1083 HydrophobicContact CD1-CG2 4.21Å; L1079-V1083 WeakPolarHBondContact O-CG2 3.28Å; L1079-V1083 PolarHBondContact O-N 3.34Å; A1080-V1083 WeakPolarHBondContact O-CB 3.23Å; A1080-V1083 PolarHBondContact O-N 3.44Å; L1081-V1083 VanDerWaalsContact C-N 3.31Å; L1081-V1083 PolarHBondContact O-N 2.84Å; V1083-L1085 VanDerWaalsContact C-N 3.27Å; V1083-L1085 PolarHBondContact O-N 3.14Å; V1083-S1086 PolarHBondContact O-N 3.38Å; V1083-S1086 VanDerWaalsContact O-N 3.16Å; V1083-S1086 PolarHBondContact O-OG 3.07Å; V1083-L1087 HydrophobicContact CG1-CD1 4.23Å; V1083-L1087 WeakPolarHBondContact O-CG 3.15Å; V1083-L1087 PolarHBondContact O-N 2.56Å; V1083-L1087 VanDerWaalsContact O-N 3.08Å |
| 1084 | L | 94.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.9 | -37.2 | 178 | -70.3 | 166.2 | 0 | 0 | 0 | 112.6 | L1063 A1066 A1080 L1081 L1087 A1088 Q1089 K1092 V1093 I1096 | L1063-L1084 HydrophobicContact CD2-CD2 3.53Å; A1066-L1084 HydrophobicContact CB-CD2 4.17Å; A1066-L1084 HydrophobicContact CB-CG 4.01Å; A1080-L1084 VanDerWaalsContact O-CG 3.32Å; A1080-L1084 WeakPolarHBondContact O-CG 3.26Å; A1080-L1084 PolarHBondContact O-N 2.88Å; L1081-L1084 PolarHBondContact O-N 3.07Å; L1084-L1087 PolarHBondContact O-N 3.19Å; L1084-A1088 PolarHBondContact O-N 2.97Å; L1084-Q1089 HydrophobicContact CB-CB 4.44Å; L1084-Q1089 HydrophobicContact CD2-CB 4.14Å; L1084-Q1089 HydrophobicContact CD2-CG 4.39Å; L1084-Q1089 PolarHBondContact O-N 3.29Å; L1084-K1092 HydrophobicContact CD1-CB 4.26Å; L1084-K1092 HydrophobicContact CD2-CB 4.21Å; L1084-K1092 HydrophobicContact CD2-CD 3.96Å; L1084-V1093 HydrophobicContact CB-CG2 3.74Å; L1084-I1096 HydrophobicContact CD1-CD1 3.25Å; L1084-I1096 HydrophobicContact CD1-CG1 4.49Å |
| 1085 | L | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 175 | -168.3 | 68.9 | 0 | 0 | 0 | 111.4 | F893 V896 F897 L1081 L1082 V1083 L1087 A1088 W1090 V1093 F1109 | F893-L1085 HydrophobicContact CD2-CD2 3.69Å; F893-L1085 HydrophobicContact CE2-CD1 3.97Å; F893-L1085 HydrophobicContact CE2-CD2 3.7Å; F893-L1085 HydrophobicContact CE2-CG 4.4Å; F893-L1085 HydrophobicContact CG-CD2 4.19Å; F893-L1085 HydrophobicContact CZ-CD1 4.06Å; F893-L1085 HydrophobicContact CZ-CD2 4.21Å; F893-L1085 VanDerWaalsContact O-CD2 3.28Å; F893-L1085 WeakPolarHBondContact O-CD2 3.33Å; V896-L1085 HydrophobicContact CB-CD2 4Å; V896-L1085 HydrophobicContact CG1-CB 4.37Å; V896-L1085 HydrophobicContact CG1-CD2 3.88Å; V896-L1085 HydrophobicContact CG1-CG 4.19Å; F897-L1085 HydrophobicContact CB-CD2 4.12Å; F897-L1085 HydrophobicContact CD2-CD1 3.98Å; L1081-L1085 VanDerWaalsContact O-CB 3.29Å; L1081-L1085 WeakPolarHBondContact O-CB 3.18Å; L1081-L1085 PolarHBondContact O-N 3.5Å; L1082-L1085 PolarHBondContact O-N 2.95Å; V1083-L1085 VanDerWaalsContact C-N 3.27Å; V1083-L1085 PolarHBondContact O-N 3.14Å; L1085-L1087 PolarHBondContact O-N 3.12Å; L1085-A1088 PolarHBondContact O-N 3.08Å; L1085-W1090 HydrophobicContact CD1-CZ3 4.17Å; L1085-V1093 HydrophobicContact CB-CG2 4.23Å; L1085-V1093 HydrophobicContact CD1-CG1 4.17Å; L1085-V1093 HydrophobicContact CD1-CG2 4.26Å; L1085-F1109 HydrophobicContact CD1-CE2 3.72Å; L1085-F1109 HydrophobicContact CD1-CZ 4.21Å |
| 1086 | S | 92.4 | Very high | 90.8 | Very high | 23 Ų | 23 | 26.2 Ų | 26.2 | 16% | 0.161 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -30.8 | 176.5 | 75.9 | 0 | 0 | 0 | 0 | 113.1 | L1082 V1083 A1088 | L1082-S1086 PolarHBondContact O-N 3.29Å; V1083-S1086 PolarHBondContact O-N 3.38Å; V1083-S1086 VanDerWaalsContact O-N 3.16Å; V1083-S1086 PolarHBondContact O-OG 3.07Å; S1086-A1088 VanDerWaalsContact C-N 3.26Å; S1086-A1088 PolarHBondContact O-N 3.01Å |
| 1087 | L | 91.5 | Very high | 91.2 | Very high | 28 Ų | 28 | 25.5 Ų | 25.5 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.3 | 175.5 | -64.2 | 175.5 | 0 | 0 | 0 | 113.5 | T1059 M1062 L1063 V1083 L1084 L1085 Q1089 | T1059-L1087 HydrophobicContact CG2-CD1 4.38Å; T1059-L1087 HydrophobicContact CG2-CD2 4.34Å; M1062-L1087 HydrophobicContact CB-CD1 3.66Å; M1062-L1087 HydrophobicContact CB-CD2 4.08Å; M1062-L1087 HydrophobicContact CB-CG 4.33Å; M1062-L1087 HydrophobicContact CE-CD2 4.41Å; M1062-L1087 HydrophobicContact SD-CD2 3.82Å; L1063-L1087 HydrophobicContact CD2-CD1 4.23Å; L1063-L1087 HydrophobicContact CG-CD1 4.19Å; V1083-L1087 HydrophobicContact CG1-CD1 4.23Å; V1083-L1087 WeakPolarHBondContact O-CG 3.15Å; V1083-L1087 PolarHBondContact O-N 2.56Å; V1083-L1087 VanDerWaalsContact O-N 3.08Å; L1084-L1087 PolarHBondContact O-N 3.19Å; L1085-L1087 PolarHBondContact O-N 3.12Å; L1087-Q1089 HydrophobicContact CB-CG 3.83Å; L1087-Q1089 PolarHBondContact O-N 3.43Å |
| 1088 | A | 91.3 | Very high | 91.4 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 12% | 0.116 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 34.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | V900 L1084 L1085 S1086 W1090 | V900-A1088 HydrophobicContact CG1-CB 4.42Å; L1084-A1088 PolarHBondContact O-N 2.97Å; L1085-A1088 PolarHBondContact O-N 3.08Å; S1086-A1088 VanDerWaalsContact C-N 3.26Å; S1086-A1088 PolarHBondContact O-N 3.01Å; A1088-W1090 VanDerWaalsContact C-N 3.26Å; A1088-W1090 HydrophobicContact CB-CD2 4.24Å; A1088-W1090 HydrophobicContact CB-CE3 4.35Å; A1088-W1090 HydrophobicContact CB-CH2 3.55Å; A1088-W1090 HydrophobicContact CB-CZ2 3.32Å; A1088-W1090 HydrophobicContact CB-CZ3 4.05Å; A1088-W1090 PolarHBondContact O-N 2.82Å |
| 1089 | Q | 93 | Very high | 91.4 | Very high | 55 Ų | 55 | 24.8 Ų | 24.8 | 26% | 0.257 | 14% | 0.141 | S | C | . | . | trans | -85 | 66.7 | 178.3 | -65.1 | -68.6 | -50.2 | 0 | 0 | 110.5 | L1063 L1084 L1087 S1091 K1092 V1093 | L1063-Q1089 HydrophobicContact CD2-CG 4Å; L1084-Q1089 HydrophobicContact CB-CB 4.44Å; L1084-Q1089 HydrophobicContact CD2-CB 4.14Å; L1084-Q1089 HydrophobicContact CD2-CG 4.39Å; L1084-Q1089 PolarHBondContact O-N 3.29Å; L1087-Q1089 HydrophobicContact CB-CG 3.83Å; L1087-Q1089 PolarHBondContact O-N 3.43Å; Q1089-S1091 VanDerWaalsContact C-N 3.33Å; Q1089-S1091 PolarHBondContact O-N 3.26Å; Q1089-K1092 HydrophobicContact CB-CB 4.32Å; Q1089-K1092 PolarHBondContact O-N 3.23Å; Q1089-V1093 WeakPolarHBondContact O-CG2 3.48Å; Q1089-V1093 PolarHBondContact O-N 3.1Å | ||
| 1090 | W | 92.9 | Very high | 91.2 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 4% | 0.038 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.3 | -40 | -167 | -43.1 | 129.4 | 0 | 0 | 0 | 114.3 | F897 V900 M901 L1085 A1088 V1093 L1094 F1109 L1113 L1121 I1125 | F897-W1090 HydrophobicContact CD2-CZ3 4.27Å; F897-W1090 HydrophobicContact CE2-CH2 4.35Å; F897-W1090 HydrophobicContact CE2-CZ3 4.11Å; V900-W1090 HydrophobicContact CG1-CH2 3.76Å; M901-W1090 HydrophobicContact SD-CH2 4.5Å; L1085-W1090 HydrophobicContact CD1-CZ3 4.17Å; A1088-W1090 VanDerWaalsContact C-N 3.26Å; A1088-W1090 HydrophobicContact CB-CD2 4.24Å; A1088-W1090 HydrophobicContact CB-CE3 4.35Å; A1088-W1090 HydrophobicContact CB-CH2 3.55Å; A1088-W1090 HydrophobicContact CB-CZ2 3.32Å; A1088-W1090 HydrophobicContact CB-CZ3 4.05Å; A1088-W1090 PolarHBondContact O-N 2.82Å; W1090-V1093 PolarHBondContact O-N 2.91Å; W1090-L1094 WeakPolarHBondContact O-CB 3.37Å; W1090-L1094 PolarHBondContact O-N 2.8Å; W1090-F1109 HydrophobicContact CB-CZ 4.4Å; W1090-F1109 HydrophobicContact CE3-CE2 4.26Å; W1090-F1109 AromaticContact CE3-CZ 3.78Å; W1090-F1109 HydrophobicContact CE3-CZ 3.78Å; W1090-F1109 HydrophobicContact CZ3-CE2 4.49Å; W1090-F1109 HydrophobicContact CZ3-CZ 4.44Å; W1090-L1113 HydrophobicContact CB-CD1 4.23Å; W1090-L1113 HydrophobicContact CD2-CD2 4.23Å; W1090-L1113 HydrophobicContact CE3-CD2 4.49Å; W1090-L1113 HydrophobicContact CG-CD1 4.46Å; W1090-L1121 HydrophobicContact CZ2-CD2 4.01Å; W1090-I1125 HydrophobicContact CB-CD1 4.08Å; W1090-I1125 HydrophobicContact CB-CG1 4.01Å |
| 1091 | S | 92.9 | Very high | 90.7 | Very high | 33 Ų | 33 | 28 Ų | 28 | 23% | 0.231 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -50.2 | 177.7 | 52.5 | 0 | 0 | 0 | 0 | 112 | Q1089 V1093 L1094 E1095 | Q1089-S1091 VanDerWaalsContact C-N 3.33Å; Q1089-S1091 PolarHBondContact O-N 3.26Å; S1091-V1093 PolarHBondContact O-N 2.83Å; S1091-L1094 PolarHBondContact O-N 2.89Å; S1091-E1095 WeakPolarHBondContact O-CG 3.49Å; S1091-E1095 PolarHBondContact O-N 3.13Å |
| 1092 | K | 92.9 | Very high | 90.2 | Very high | 61 Ų | 61 | 28.2 Ų | 28.2 | 27% | 0.265 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64 | -39.4 | 177.9 | -67.7 | -172.3 | 174.9 | -170.1 | 0 | 112.4 | L1063 L1084 Q1089 L1094 E1095 I1096 | L1063-K1092 HydrophobicContact CD2-CD 4.2Å; L1084-K1092 HydrophobicContact CD1-CB 4.26Å; L1084-K1092 HydrophobicContact CD2-CB 4.21Å; L1084-K1092 HydrophobicContact CD2-CD 3.96Å; Q1089-K1092 HydrophobicContact CB-CB 4.32Å; Q1089-K1092 PolarHBondContact O-N 3.23Å; K1092-L1094 VanDerWaalsContact C-N 3.29Å; K1092-L1094 PolarHBondContact O-N 2.66Å; K1092-E1095 PolarHBondContact O-N 3.36Å; K1092-I1096 WeakPolarHBondContact O-CG1 3.38Å; K1092-I1096 PolarHBondContact O-N 2.82Å |
| 1093 | V | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57 | -48.3 | 173.9 | 168.1 | 0 | 0 | 0 | 0 | 109.8 | F893 L1081 L1084 L1085 Q1089 W1090 S1091 I1096 L1097 F1109 | F893-V1093 HydrophobicContact CE2-CG1 4.09Å; F893-V1093 HydrophobicContact CZ-CG1 4.33Å; L1081-V1093 HydrophobicContact CD2-CG1 3.9Å; L1084-V1093 HydrophobicContact CB-CG2 3.74Å; L1085-V1093 HydrophobicContact CB-CG2 4.23Å; L1085-V1093 HydrophobicContact CD1-CG1 4.17Å; L1085-V1093 HydrophobicContact CD1-CG2 4.26Å; Q1089-V1093 WeakPolarHBondContact O-CG2 3.48Å; Q1089-V1093 PolarHBondContact O-N 3.1Å; W1090-V1093 PolarHBondContact O-N 2.91Å; S1091-V1093 PolarHBondContact O-N 2.83Å; V1093-I1096 PolarHBondContact O-N 2.87Å; V1093-L1097 HydrophobicContact CG1-CD1 3.92Å; V1093-L1097 HydrophobicContact CG1-CG 4.4Å; V1093-L1097 VanDerWaalsContact O-CG 3.31Å; V1093-L1097 WeakPolarHBondContact O-CG 3.13Å; V1093-L1097 PolarHBondContact O-N 2.63Å; V1093-F1109 HydrophobicContact CB-CE1 4.27Å; V1093-F1109 HydrophobicContact CB-CZ 4.28Å; V1093-F1109 HydrophobicContact CG1-CD1 4.31Å; V1093-F1109 HydrophobicContact CG1-CE1 3.77Å; V1093-F1109 HydrophobicContact CG1-CE2 4.36Å; V1093-F1109 HydrophobicContact CG1-CZ 3.8Å |
| 1094 | L | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | -179.5 | -166.5 | 60 | 0 | 0 | 0 | 112.4 | W1090 S1091 K1092 I1096 L1097 L1098 A1106 F1109 V1110 I1125 L1129 V1133 | W1090-L1094 WeakPolarHBondContact O-CB 3.37Å; W1090-L1094 PolarHBondContact O-N 2.8Å; S1091-L1094 PolarHBondContact O-N 2.89Å; K1092-L1094 VanDerWaalsContact C-N 3.29Å; K1092-L1094 PolarHBondContact O-N 2.66Å; L1094-I1096 PolarHBondContact O-N 3.05Å; L1094-L1097 PolarHBondContact O-N 3.11Å; L1094-L1098 HydrophobicContact CG-CD1 4.46Å; L1094-L1098 WeakPolarHBondContact O-CB 3.27Å; L1094-L1098 VanDerWaalsContact O-CG 3.3Å; L1094-L1098 WeakPolarHBondContact O-CG 3.34Å; L1094-L1098 PolarHBondContact O-N 2.78Å; L1094-A1106 HydrophobicContact CD1-CB 3.83Å; L1094-F1109 HydrophobicContact CD1-CD1 4.26Å; L1094-V1110 HydrophobicContact CD1-CG2 3.94Å; L1094-V1110 HydrophobicContact CD2-CG2 3.92Å; L1094-I1125 HydrophobicContact CD2-CG2 3.81Å; L1094-L1129 HydrophobicContact CD2-CB 3.86Å; L1094-V1133 HydrophobicContact CD1-CG2 3.65Å; L1094-V1133 HydrophobicContact CD2-CG2 3.96Å; L1094-V1133 HydrophobicContact CG-CG2 3.97Å |
| 1095 | E | 91.8 | Very high | 88.9 | Confident | 97 Ų | 97 | 28.2 Ų | 28.2 | 45% | 0.453 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -56.4 | -46.9 | 174.1 | -76.4 | 170 | -169.9 | 0 | 0 | 112 | S1091 K1092 L1098 A1099 L1129 | S1091-E1095 WeakPolarHBondContact O-CG 3.49Å; S1091-E1095 PolarHBondContact O-N 3.13Å; K1092-E1095 PolarHBondContact O-N 3.36Å; E1095-L1098 PolarHBondContact O-N 2.88Å; E1095-A1099 WeakPolarHBondContact O-CB 3.5Å; E1095-A1099 PolarHBondContact O-N 2.86Å; E1095-L1129 HydrophobicContact CG-CD1 3.72Å; E1095-L1129 HydrophobicContact CG-CD2 3.63Å; E1095-L1129 HydrophobicContact CG-CG 4.33Å |
| 1096 | I | 89 | Confident | 88.7 | Confident | 46 Ų | 46 | 28.2 Ų | 28.2 | 24% | 0.236 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.1 | -40.1 | -179.7 | -62.3 | 177.9 | 0 | 0 | 0 | 110.9 | L1081 L1084 K1092 V1093 L1094 L1098 A1099 M1100 | L1081-I1096 HydrophobicContact CD1-CB 4.16Å; L1081-I1096 HydrophobicContact CD1-CG2 3.66Å; L1081-I1096 HydrophobicContact CG-CG2 4.26Å; L1084-I1096 HydrophobicContact CD1-CD1 3.25Å; L1084-I1096 HydrophobicContact CD1-CG1 4.49Å; K1092-I1096 WeakPolarHBondContact O-CG1 3.38Å; K1092-I1096 PolarHBondContact O-N 2.82Å; V1093-I1096 PolarHBondContact O-N 2.87Å; L1094-I1096 PolarHBondContact O-N 3.05Å; I1096-L1098 VanDerWaalsContact C-N 3.29Å; I1096-L1098 PolarHBondContact O-N 2.83Å; I1096-A1099 PolarHBondContact O-N 2.85Å; I1096-A1099 VanDerWaalsContact O-N 3.15Å; I1096-M1100 HydrophobicContact CG2-CG 4.03Å; I1096-M1100 HydrophobicContact CG2-SD 3.72Å; I1096-M1100 WeakPolarHBondContact O-CB 3.38Å; I1096-M1100 VanDerWaalsContact O-CG 3.26Å; I1096-M1100 WeakPolarHBondContact O-CG 3.39Å; I1096-M1100 PolarHBondContact O-N 2.85Å |
| 1097 | L | 89.8 | Confident | 88.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 174.9 | -74.2 | 172.6 | 0 | 0 | 0 | 111.3 | W889 F893 L1081 V1093 L1094 M1100 K1101 Q1102 T1105 A1106 F1109 | W889-L1097 HydrophobicContact CZ2-CD2 4.38Å; F893-L1097 HydrophobicContact CE2-CD1 4.3Å; F893-L1097 HydrophobicContact CZ-CD1 4.11Å; L1081-L1097 HydrophobicContact CD1-CD2 3.68Å; L1081-L1097 HydrophobicContact CD1-CG 3.97Å; L1081-L1097 HydrophobicContact CD2-CD2 4.21Å; L1081-L1097 HydrophobicContact CD2-CG 4.34Å; V1093-L1097 HydrophobicContact CG1-CD1 3.92Å; V1093-L1097 HydrophobicContact CG1-CG 4.4Å; V1093-L1097 VanDerWaalsContact O-CG 3.31Å; V1093-L1097 WeakPolarHBondContact O-CG 3.13Å; V1093-L1097 PolarHBondContact O-N 2.63Å; L1094-L1097 PolarHBondContact O-N 3.11Å; L1097-M1100 PolarHBondContact O-N 2.75Å; L1097-K1101 PolarHBondContact O-N 2.94Å; L1097-Q1102 HydrophobicContact CD2-CB 3.91Å; L1097-Q1102 PolarHBondContact O-N 3.22Å; L1097-T1105 HydrophobicContact CD2-CG2 4.15Å; L1097-A1106 HydrophobicContact CB-CB 4.04Å; L1097-A1106 HydrophobicContact CD1-CB 4.33Å; L1097-F1109 HydrophobicContact CD1-CB 4.47Å; L1097-F1109 HydrophobicContact CD1-CD1 4.35Å |
| 1098 | L | 87.6 | Confident | 88.4 | Confident | 30 Ų | 30 | 26.9 Ų | 26.9 | 16% | 0.157 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -45.1 | 173.9 | -70.2 | 173.1 | 0 | 0 | 0 | 111.4 | L1094 E1095 I1096 M1100 K1101 I1103 L1129 A1132 V1133 | L1094-L1098 HydrophobicContact CG-CD1 4.46Å; L1094-L1098 WeakPolarHBondContact O-CB 3.27Å; L1094-L1098 VanDerWaalsContact O-CG 3.3Å; L1094-L1098 WeakPolarHBondContact O-CG 3.34Å; L1094-L1098 PolarHBondContact O-N 2.78Å; E1095-L1098 PolarHBondContact O-N 2.88Å; I1096-L1098 VanDerWaalsContact C-N 3.29Å; I1096-L1098 PolarHBondContact O-N 2.83Å; L1098-M1100 VanDerWaalsContact C-N 3.28Å; L1098-M1100 PolarHBondContact O-N 2.8Å; L1098-K1101 WeakPolarHBondContact O-CA 3.41Å; L1098-K1101 PolarHBondContact O-N 2.91Å; L1098-I1103 HydrophobicContact CD2-CD1 3.57Å; L1098-L1129 HydrophobicContact CD1-CD2 4.12Å; L1098-A1132 HydrophobicContact CD1-CB 4.09Å; L1098-V1133 HydrophobicContact CD1-CG2 4.13Å; L1098-V1133 HydrophobicContact CD2-CG2 3.85Å; L1098-V1133 HydrophobicContact CG-CG2 4.26Å |
| 1099 | A | 84.7 | Confident | 88.5 | Confident | 84 Ų | 84 | 26.2 Ų | 26.2 | 69% | 0.694 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -63.5 | -32.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1095 I1096 | E1095-A1099 WeakPolarHBondContact O-CB 3.5Å; E1095-A1099 PolarHBondContact O-N 2.86Å; I1096-A1099 PolarHBondContact O-N 2.85Å; I1096-A1099 VanDerWaalsContact O-N 3.15Å |
| 1100 | M | 81.3 | Confident | 88.5 | Confident | 20 Ų | 20 | 23.8 Ų | 23.8 | 10% | 0.099 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -3.1 | 174.5 | -65.6 | -177.7 | 81.9 | 0 | 0 | 112.8 | P65 K1077 T1078 L1081 I1096 L1097 L1098 Q1102 | P65-M1100 HydrophobicContact CB-CE 3.97Å; P65-M1100 HydrophobicContact CG-CE 3.52Å; K1077-M1100 HydrophobicContact CB-CE 3.79Å; K1077-M1100 HydrophobicContact CB-SD 3.99Å; K1077-M1100 HydrophobicContact CD-CE 4.47Å; T1078-M1100 HydrophobicContact CG2-CE 4.35Å; L1081-M1100 HydrophobicContact CD1-SD 3.94Å; I1096-M1100 HydrophobicContact CG2-CG 4.03Å; I1096-M1100 HydrophobicContact CG2-SD 3.72Å; I1096-M1100 WeakPolarHBondContact O-CB 3.38Å; I1096-M1100 VanDerWaalsContact O-CG 3.26Å; I1096-M1100 WeakPolarHBondContact O-CG 3.39Å; I1096-M1100 PolarHBondContact O-N 2.85Å; L1097-M1100 PolarHBondContact O-N 2.75Å; L1098-M1100 VanDerWaalsContact C-N 3.28Å; L1098-M1100 PolarHBondContact O-N 2.8Å; M1100-Q1102 HydrophobicContact CB-CG 4.1Å |
| 1101 | K | 79.5 | Confident | 88.3 | Confident | 69 Ų | 69 | 25.5 Ų | 25.5 | 30% | 0.3 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 60.6 | -169.4 | -60.6 | 179.6 | 174.7 | -179.3 | 0 | 109.8 | D67 S68 S69 L1097 L1098 | D67-K1101 WeakPolarHBondContact CA-O 3.23Å; D67-K1101 WeakPolarHBondContact CB-O 3.25Å; D67-K1101 PolarHBondContact N-O 2.97Å; S68-K1101 PolarHBondContact OG-NZ 3.09Å; S68-K1101 VanDerWaalsContact OG-NZ 3.15Å; S69-K1101 PolarHBondContact OG-NZ 2.94Å; L1097-K1101 PolarHBondContact O-N 2.94Å; L1098-K1101 WeakPolarHBondContact O-CA 3.41Å; L1098-K1101 PolarHBondContact O-N 2.91Å |
| 1102 | Q | 82.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.023 | 13% | 0.131 | C | C | . | . | trans | -111.8 | 58 | 171.6 | -73.4 | -64.1 | -72.6 | 0 | 0 | 109.1 | P65 D67 L1097 M1100 T1105 A1106 | P65-Q1102 VanDerWaalsContact CA-CD 3.44Å; P65-Q1102 VanDerWaalsContact CA-NE2 3.3Å; P65-Q1102 HydrophobicContact CB-CG 3.2Å; D67-Q1102 VanDerWaalsContact CG-NE2 3.27Å; D67-Q1102 PolarHBondContact OD1-NE2 2.86Å; D67-Q1102 PolarHBondContact OD2-NE2 2.82Å; D67-Q1102 VanDerWaalsContact OD2-NE2 3.1Å; L1097-Q1102 HydrophobicContact CD2-CB 3.91Å; L1097-Q1102 PolarHBondContact O-N 3.22Å; M1100-Q1102 HydrophobicContact CB-CG 4.1Å; Q1102-T1105 PolarHBondContact O-N 2.83Å; Q1102-A1106 WeakPolarHBondContact O-CB 3.48Å; Q1102-A1106 PolarHBondContact O-N 2.91Å | ||
| 1103 | I | 82.3 | Confident | 88.1 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | -169.4 | -53 | -54.9 | 0 | 0 | 0 | 112 | L1098 T1105 A1106 V1107 E1136 Y1140 | L1098-I1103 HydrophobicContact CD2-CD1 3.57Å; I1103-T1105 VanDerWaalsContact C-N 3.3Å; I1103-T1105 PolarHBondContact O-N 2.84Å; I1103-A1106 WeakPolarHBondContact O-CB 3.45Å; I1103-A1106 PolarHBondContact O-N 2.95Å; I1103-A1106 VanDerWaalsContact O-N 3.13Å; I1103-V1107 HydrophobicContact CG2-CG2 4.17Å; I1103-V1107 VanDerWaalsContact O-CG2 3.3Å; I1103-V1107 WeakPolarHBondContact O-CG2 3.32Å; I1103-V1107 PolarHBondContact O-N 3.27Å; I1103-E1136 HydrophobicContact CD1-CB 3.97Å; I1103-E1136 HydrophobicContact CD1-CG 4.1Å; I1103-E1136 WeakPolarHBondContact CD1-OE2 3.49Å; I1103-E1136 HydrophobicContact CG1-CB 4.14Å; I1103-E1136 WeakPolarHBondContact CG1-OE2 3.3Å; I1103-E1136 HydrophobicContact CG2-CB 3.81Å; I1103-Y1140 HydrophobicContact CB-CD2 3.82Å; I1103-Y1140 HydrophobicContact CB-CE2 3.49Å; I1103-Y1140 VanDerWaalsContact CB-CE2 3.49Å; I1103-Y1140 HydrophobicContact CG1-CD2 4.25Å; I1103-Y1140 HydrophobicContact CG1-CE2 3.47Å; I1103-Y1140 VanDerWaalsContact CG1-CE2 3.47Å; I1103-Y1140 HydrophobicContact CG2-CD2 3.69Å; I1103-Y1140 HydrophobicContact CG2-CE2 3.83Å |
| 1104 | P | 80.6 | Confident | 87.7 | Confident | 14 Ų | 14 | 26.5 Ų | 26.5 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.6 | -43.5 | 177.3 | -24.9 | 35.3 | 0 | 0 | 0 | 112.6 | D67 L811 V1107 A1108 | D67-P1104 WeakPolarHBondContact OD2-CD 3.43Å; L811-P1104 HydrophobicContact CD2-CB 4.11Å; L811-P1104 HydrophobicContact CD2-CG 4.29Å; P1104-V1107 PolarHBondContact O-N 2.88Å; P1104-A1108 WeakPolarHBondContact O-CB 3.5Å; P1104-A1108 PolarHBondContact O-N 3.44Å |
| 1105 | T | 88.8 | Confident | 87.3 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.018 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -40.9 | 176.8 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | F893 W894 L1097 Q1102 I1103 A1108 F1109 | F893-T1105 HydrophobicContact CD1-CG2 3.91Å; F893-T1105 HydrophobicContact CE1-CG2 3.84Å; F893-T1105 HydrophobicContact CG-CG2 4.43Å; F893-T1105 HydrophobicContact CZ-CG2 4.3Å; W894-T1105 HydrophobicContact CZ2-CG2 4.49Å; L1097-T1105 HydrophobicContact CD2-CG2 4.15Å; Q1102-T1105 PolarHBondContact O-N 2.83Å; I1103-T1105 VanDerWaalsContact C-N 3.3Å; I1103-T1105 PolarHBondContact O-N 2.84Å; T1105-A1108 PolarHBondContact O-N 3.34Å; T1105-F1109 WeakPolarHBondContact O-CB 3.4Å; T1105-F1109 PolarHBondContact O-N 3.02Å |
| 1106 | A | 90.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1094 L1097 Q1102 I1103 F1109 V1110 V1133 | L1094-A1106 HydrophobicContact CD1-CB 3.83Å; L1097-A1106 HydrophobicContact CB-CB 4.04Å; L1097-A1106 HydrophobicContact CD1-CB 4.33Å; Q1102-A1106 WeakPolarHBondContact O-CB 3.48Å; Q1102-A1106 PolarHBondContact O-N 2.91Å; I1103-A1106 WeakPolarHBondContact O-CB 3.45Å; I1103-A1106 PolarHBondContact O-N 2.95Å; I1103-A1106 VanDerWaalsContact O-N 3.13Å; A1106-F1109 PolarHBondContact O-N 2.97Å; A1106-V1110 WeakPolarHBondContact O-CG2 3.48Å; A1106-V1110 PolarHBondContact O-N 3.07Å; A1106-V1133 HydrophobicContact CB-CG2 4.38Å |
| 1107 | V | 88.7 | Confident | 86 | Confident | 14 Ų | 14 | 33.4 Ų | 33.4 | 9% | 0.085 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -51 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | I1103 P1104 F1109 V1110 E1111 V1133 K1137 | I1103-V1107 HydrophobicContact CG2-CG2 4.17Å; I1103-V1107 VanDerWaalsContact O-CG2 3.3Å; I1103-V1107 WeakPolarHBondContact O-CG2 3.32Å; I1103-V1107 PolarHBondContact O-N 3.27Å; P1104-V1107 PolarHBondContact O-N 2.88Å; V1107-F1109 VanDerWaalsContact C-N 3.26Å; V1107-F1109 PolarHBondContact O-N 2.8Å; V1107-V1110 PolarHBondContact O-N 3.17Å; V1107-E1111 PolarHBondContact O-N 2.69Å; V1107-V1133 HydrophobicContact CB-CG1 4.33Å; V1107-V1133 HydrophobicContact CG2-CG1 3.56Å; V1107-K1137 HydrophobicContact CG1-CD 3.75Å; V1107-K1137 HydrophobicContact CG1-CG 4.26Å; V1107-K1137 HydrophobicContact CG2-CB 3.76Å; V1107-K1137 HydrophobicContact CG2-CD 3.87Å; V1107-K1137 HydrophobicContact CG2-CG 3.82Å |
| 1108 | A | 90.1 | Very high | 85.4 | Confident | 8 Ų | 8 | 36.7 Ų | 36.7 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -35.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V874 W894 P1104 T1105 E1111 A1112 | V874-A1108 HydrophobicContact CG1-CB 4.31Å; V874-A1108 WeakPolarHBondContact CG1-O 3.26Å; W894-A1108 HydrophobicContact CH2-CB 3.9Å; W894-A1108 HydrophobicContact CZ2-CB 3.63Å; P1104-A1108 WeakPolarHBondContact O-CB 3.5Å; P1104-A1108 PolarHBondContact O-N 3.44Å; T1105-A1108 PolarHBondContact O-N 3.34Å; A1108-E1111 PolarHBondContact O-N 3.43Å; A1108-A1112 WeakPolarHBondContact O-CB 3.5Å; A1108-A1112 PolarHBondContact O-N 2.88Å |
| 1109 | F | 93.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 176.6 | 176 | -112 | 0 | 0 | 0 | 111.8 | F893 W894 F897 L1085 W1090 V1093 L1094 L1097 T1105 A1106 V1107 E1111 A1112 L1113 | F893-F1109 HydrophobicContact CE1-CB 4.43Å; F893-F1109 HydrophobicContact CE1-CD2 4.08Å; F893-F1109 HydrophobicContact CZ-CB 4.32Å; F893-F1109 AromaticContact CZ-CD2 3.7Å; F893-F1109 HydrophobicContact CZ-CD2 3.7Å; F893-F1109 HydrophobicContact CZ-CE2 4.22Å; F893-F1109 HydrophobicContact CZ-CG 4.08Å; W894-F1109 HydrophobicContact CH2-CB 4.32Å; F897-F1109 HydrophobicContact CD2-CD2 4.14Å; F897-F1109 AromaticContact CD2-CE2 3.7Å; F897-F1109 HydrophobicContact CD2-CE2 3.7Å; F897-F1109 HydrophobicContact CE2-CD2 4.04Å; F897-F1109 AromaticContact CE2-CE2 3.56Å; F897-F1109 HydrophobicContact CE2-CE2 3.56Å; L1085-F1109 HydrophobicContact CD1-CE2 3.72Å; L1085-F1109 HydrophobicContact CD1-CZ 4.21Å; W1090-F1109 HydrophobicContact CB-CZ 4.4Å; W1090-F1109 HydrophobicContact CE3-CE2 4.26Å; W1090-F1109 AromaticContact CE3-CZ 3.78Å; W1090-F1109 HydrophobicContact CE3-CZ 3.78Å; W1090-F1109 HydrophobicContact CZ3-CE2 4.49Å; W1090-F1109 HydrophobicContact CZ3-CZ 4.44Å; V1093-F1109 HydrophobicContact CB-CE1 4.27Å; V1093-F1109 HydrophobicContact CB-CZ 4.28Å; V1093-F1109 HydrophobicContact CG1-CD1 4.31Å; V1093-F1109 HydrophobicContact CG1-CE1 3.77Å; V1093-F1109 HydrophobicContact CG1-CE2 4.36Å; V1093-F1109 HydrophobicContact CG1-CZ 3.8Å; L1094-F1109 HydrophobicContact CD1-CD1 4.26Å; L1097-F1109 HydrophobicContact CD1-CB 4.47Å; L1097-F1109 HydrophobicContact CD1-CD1 4.35Å; T1105-F1109 WeakPolarHBondContact O-CB 3.4Å; T1105-F1109 PolarHBondContact O-N 3.02Å; A1106-F1109 PolarHBondContact O-N 2.97Å; V1107-F1109 VanDerWaalsContact C-N 3.26Å; V1107-F1109 PolarHBondContact O-N 2.8Å; F1109-E1111 VanDerWaalsContact C-N 3.34Å; F1109-E1111 PolarHBondContact O-N 3.47Å; F1109-A1112 PolarHBondContact O-N 2.85Å; F1109-L1113 HydrophobicContact CD1-CD1 4.19Å; F1109-L1113 HydrophobicContact CE1-CD1 3.67Å; F1109-L1113 HydrophobicContact CE2-CD1 4.19Å; F1109-L1113 HydrophobicContact CE2-CG 4.32Å; F1109-L1113 HydrophobicContact CZ-CD1 3.67Å; F1109-L1113 HydrophobicContact CZ-CG 4.28Å; F1109-L1113 WeakPolarHBondContact O-CG 3.33Å; F1109-L1113 PolarHBondContact O-N 3.15Å |
| 1110 | V | 91.5 | Very high | 84.3 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.4 | -41.9 | 173.7 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | L1094 A1106 V1107 L1113 K1114 F1122 V1133 | L1094-V1110 HydrophobicContact CD1-CG2 3.94Å; L1094-V1110 HydrophobicContact CD2-CG2 3.92Å; A1106-V1110 WeakPolarHBondContact O-CG2 3.48Å; A1106-V1110 PolarHBondContact O-N 3.07Å; V1107-V1110 PolarHBondContact O-N 3.17Å; V1110-L1113 PolarHBondContact O-N 2.97Å; V1110-K1114 HydrophobicContact CG1-CD 4.47Å; V1110-K1114 WeakPolarHBondContact O-CG 3.44Å; V1110-K1114 PolarHBondContact O-N 3.14Å; V1110-F1122 HydrophobicContact CG1-CE2 3.84Å; V1110-V1133 HydrophobicContact CG2-CG2 4.43Å |
| 1111 | E | 89.1 | Confident | 84.3 | Confident | 45 Ų | 45 | 41.3 Ų | 41.3 | 21% | 0.21 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.6 | -169.3 | -176.5 | 154.7 | 0 | 0 | 111.5 | Y817 V874 R877 V1107 A1108 F1109 L1113 K1114 T1115 | Y817-E1111 PolarHBondContact OH-OE1 2.81Å; V874-E1111 HydrophobicContact CG2-CB 4.49Å; V874-E1111 HydrophobicContact CG2-CG 3.9Å; R877-E1111 IonicContact NH2-OE1 3.45Å; R877-E1111 PolarHBondContact NH2-OE1 3.42Å; V1107-E1111 PolarHBondContact O-N 2.69Å; A1108-E1111 PolarHBondContact O-N 3.43Å; F1109-E1111 VanDerWaalsContact C-N 3.34Å; F1109-E1111 PolarHBondContact O-N 3.47Å; E1111-L1113 VanDerWaalsContact C-N 3.3Å; E1111-L1113 PolarHBondContact O-N 3.24Å; E1111-K1114 WeakPolarHBondContact O-CB 3.24Å; E1111-K1114 PolarHBondContact O-N 3.26Å; E1111-K1114 VanDerWaalsContact O-N 3.08Å; E1111-T1115 WeakPolarHBondContact O-CG2 3.16Å; E1111-T1115 PolarHBondContact O-N 3Å; E1111-T1115 PolarHBondContact O-OG1 3.15Å |
| 1112 | A | 91.4 | Very high | 84.3 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.6 | -41.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | V874 V875 W894 F897 A1108 F1109 T1115 A1116 | V874-A1112 HydrophobicContact CB-CB 4.2Å; V874-A1112 HydrophobicContact CG1-CB 4.02Å; V875-A1112 HydrophobicContact CG2-CB 4.36Å; W894-A1112 HydrophobicContact CH2-CB 4.26Å; W894-A1112 HydrophobicContact CZ3-CB 3.96Å; F897-A1112 HydrophobicContact CE1-CB 3.79Å; F897-A1112 HydrophobicContact CZ-CB 4Å; A1108-A1112 WeakPolarHBondContact O-CB 3.5Å; A1108-A1112 PolarHBondContact O-N 2.88Å; F1109-A1112 PolarHBondContact O-N 2.85Å; A1112-T1115 WeakPolarHBondContact CA-OG1 3.31Å; A1112-T1115 PolarHBondContact O-N 3.44Å; A1112-T1115 PolarHBondContact O-OG1 3.14Å; A1112-A1116 PolarHBondContact O-N 3.26Å; A1112-A1116 VanDerWaalsContact O-N 3.1Å |
| 1113 | L | 90.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -34.4 | 175.8 | -71 | 175.3 | 0 | 0 | 0 | 113.2 | F897 W1090 F1109 V1110 E1111 A1116 L1121 I1125 | F897-L1113 HydrophobicContact CE2-CD2 3.92Å; F897-L1113 HydrophobicContact CE2-CG 4.48Å; F897-L1113 HydrophobicContact CZ-CD2 4.04Å; F897-L1113 HydrophobicContact CZ-CG 4.48Å; W1090-L1113 HydrophobicContact CB-CD1 4.23Å; W1090-L1113 HydrophobicContact CD2-CD2 4.23Å; W1090-L1113 HydrophobicContact CE3-CD2 4.49Å; W1090-L1113 HydrophobicContact CG-CD1 4.46Å; F1109-L1113 HydrophobicContact CD1-CD1 4.19Å; F1109-L1113 HydrophobicContact CE1-CD1 3.67Å; F1109-L1113 HydrophobicContact CE2-CD1 4.19Å; F1109-L1113 HydrophobicContact CE2-CG 4.32Å; F1109-L1113 HydrophobicContact CZ-CD1 3.67Å; F1109-L1113 HydrophobicContact CZ-CG 4.28Å; F1109-L1113 WeakPolarHBondContact O-CG 3.33Å; F1109-L1113 PolarHBondContact O-N 3.15Å; V1110-L1113 PolarHBondContact O-N 2.97Å; E1111-L1113 VanDerWaalsContact C-N 3.3Å; E1111-L1113 PolarHBondContact O-N 3.24Å; L1113-A1116 WeakPolarHBondContact O-CB 3.44Å; L1113-A1116 PolarHBondContact O-N 3.19Å; L1113-L1121 HydrophobicContact CD2-CB 4.32Å; L1113-I1125 HydrophobicContact CD1-CD1 3.39Å |
| 1114 | K | 86.7 | Confident | 84.2 | Confident | 112 Ų | 112 | 50.5 Ų | 50.5 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 173.8 | -73.3 | 176.2 | 179.2 | 179.8 | 0 | 112 | V1110 E1111 A1116 F1122 | V1110-K1114 HydrophobicContact CG1-CD 4.47Å; V1110-K1114 WeakPolarHBondContact O-CG 3.44Å; V1110-K1114 PolarHBondContact O-N 3.14Å; E1111-K1114 WeakPolarHBondContact O-CB 3.24Å; E1111-K1114 PolarHBondContact O-N 3.26Å; E1111-K1114 VanDerWaalsContact O-N 3.08Å; K1114-A1116 VanDerWaalsContact C-N 3.28Å; K1114-F1122 HydrophobicContact CD-CD2 4.48Å; K1114-F1122 HydrophobicContact CD-CE2 4.12Å; K1114-F1122 HydrophobicContact CD-CZ 4.22Å; K1114-F1122 HydrophobicContact CG-CD1 4.2Å; K1114-F1122 HydrophobicContact CG-CD2 3.56Å; K1114-F1122 HydrophobicContact CG-CE1 4.29Å; K1114-F1122 HydrophobicContact CG-CE2 3.69Å; K1114-F1122 HydrophobicContact CG-CG 3.85Å; K1114-F1122 HydrophobicContact CG-CZ 4.05Å |
| 1115 | T | 83.2 | Confident | 84.4 | Confident | 93 Ų | 93 | 50.3 Ų | 50.3 | 57% | 0.571 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -78.6 | -11.8 | 179.1 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | V874 E1111 A1112 | V874-T1115 HydrophobicContact CG2-CG2 4.44Å; E1111-T1115 WeakPolarHBondContact O-CG2 3.16Å; E1111-T1115 PolarHBondContact O-N 3Å; E1111-T1115 PolarHBondContact O-OG1 3.15Å; A1112-T1115 WeakPolarHBondContact CA-OG1 3.31Å; A1112-T1115 PolarHBondContact O-N 3.44Å; A1112-T1115 PolarHBondContact O-OG1 3.14Å |
| 1116 | A | 81.1 | Confident | 84.4 | Confident | 17 Ų | 17 | 53 Ų | 53 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -65.8 | 142.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | M901 A1112 L1113 K1114 D1118 L1121 | M901-A1116 HydrophobicContact CE-CB 3.54Å; A1112-A1116 PolarHBondContact O-N 3.26Å; A1112-A1116 VanDerWaalsContact O-N 3.1Å; L1113-A1116 WeakPolarHBondContact O-CB 3.44Å; L1113-A1116 PolarHBondContact O-N 3.19Å; K1114-A1116 VanDerWaalsContact C-N 3.28Å; A1116-D1118 PolarHBondContact O-N 3.49Å; A1116-L1121 HydrophobicContact CB-CD1 3.84Å |
| 1117 | Q | 72.8 | Confident | 84.2 | Confident | 178 Ų | 178 | 57.7 Ų | 57.7 | 83% | 0.832 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -59.7 | -22.4 | -178.3 | -67.6 | 177.4 | -4.7 | 0 | 0 | 113.7 | ||
| 1118 | D | 78.1 | Confident | 84.1 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | trans | -98 | 96 | -179.2 | -177.8 | 3.1 | 0 | 0 | 0 | 111 | A1116 T1120 L1121 | A1116-D1118 PolarHBondContact O-N 3.49Å; D1118-T1120 VanDerWaalsContact CG-OG1 3.24Å; D1118-T1120 PolarHBondContact O-N 3.1Å; D1118-T1120 VanDerWaalsContact O-N 3.09Å; D1118-T1120 WeakPolarHBondContact OD1-CB 3.32Å; D1118-T1120 WeakPolarHBondContact OD1-CG2 3.49Å; D1118-T1120 PolarHBondContact OD1-N 3.46Å; D1118-T1120 VanDerWaalsContact OD1-N 3.08Å; D1118-T1120 PolarHBondContact OD1-OG1 3.1Å; D1118-T1120 PolarHBondContact OD2-OG1 3.4Å; D1118-L1121 HydrophobicContact CB-CD1 3.88Å; D1118-L1121 HydrophobicContact CB-CG 3.97Å; D1118-L1121 WeakPolarHBondContact O-CB 3.27Å; D1118-L1121 VanDerWaalsContact O-CG 3.29Å; D1118-L1121 WeakPolarHBondContact O-CG 3.46Å; D1118-L1121 PolarHBondContact O-N 3.2Å; D1118-L1121 VanDerWaalsContact O-N 3.16Å | ||
| 1119 | E | 71.7 | Confident | 84 | Confident | 133 Ų | 133 | 61.4 Ų | 61.4 | 62% | 0.621 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58 | -22.5 | 178.4 | -74.5 | -166 | 174.9 | 0 | 0 | 113.9 | L1121 F1122 K1123 | E1119-L1121 PolarHBondContact O-N 3.15Å; E1119-F1122 PolarHBondContact O-N 2.77Å; E1119-K1123 PolarHBondContact O-N 3.34Å; E1119-K1123 IonicContact OE2-NZ 3.02Å; E1119-K1123 PolarHBondContact OE2-NZ 2.85Å |
| 1120 | T | 76.8 | Confident | 83.6 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 56% | 0.564 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.8 | -26.1 | -178.6 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | D1118 K1123 S1124 | D1118-T1120 VanDerWaalsContact CG-OG1 3.24Å; D1118-T1120 PolarHBondContact O-N 3.1Å; D1118-T1120 VanDerWaalsContact O-N 3.09Å; D1118-T1120 WeakPolarHBondContact OD1-CB 3.32Å; D1118-T1120 WeakPolarHBondContact OD1-CG2 3.49Å; D1118-T1120 PolarHBondContact OD1-N 3.46Å; D1118-T1120 VanDerWaalsContact OD1-N 3.08Å; D1118-T1120 PolarHBondContact OD1-OG1 3.1Å; D1118-T1120 PolarHBondContact OD2-OG1 3.4Å; T1120-K1123 PolarHBondContact O-N 2.95Å; T1120-S1124 PolarHBondContact O-N 2.89Å; T1120-S1124 VanDerWaalsContact O-N 3.12Å |
| 1121 | L | 80.5 | Confident | 83.4 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.9 | -51.6 | 176.8 | -60.4 | 173.7 | 0 | 0 | 0 | 111.1 | M901 R904 W1090 L1113 A1116 D1118 E1119 S1124 | M901-L1121 HydrophobicContact CE-CD1 3.86Å; M901-L1121 HydrophobicContact SD-CD1 4.4Å; R904-L1121 VanDerWaalsContact NH1-CD2 3.28Å; W1090-L1121 HydrophobicContact CZ2-CD2 4.01Å; L1113-L1121 HydrophobicContact CD2-CB 4.32Å; A1116-L1121 HydrophobicContact CB-CD1 3.84Å; D1118-L1121 HydrophobicContact CB-CD1 3.88Å; D1118-L1121 HydrophobicContact CB-CG 3.97Å; D1118-L1121 WeakPolarHBondContact O-CB 3.27Å; D1118-L1121 VanDerWaalsContact O-CG 3.29Å; D1118-L1121 WeakPolarHBondContact O-CG 3.46Å; D1118-L1121 PolarHBondContact O-N 3.2Å; D1118-L1121 VanDerWaalsContact O-N 3.16Å; E1119-L1121 PolarHBondContact O-N 3.15Å; L1121-S1124 PolarHBondContact O-N 3.45Å; L1121-S1124 PolarHBondContact O-OG 2.73Å |
| 1122 | F | 79.9 | Confident | 83.2 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 23% | 0.228 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.8 | -40.3 | -179.4 | -179.9 | -109.6 | 0 | 0 | 0 | 111.6 | V1110 K1114 E1119 S1124 I1125 I1130 | V1110-F1122 HydrophobicContact CG1-CE2 3.84Å; K1114-F1122 HydrophobicContact CD-CD2 4.48Å; K1114-F1122 HydrophobicContact CD-CE2 4.12Å; K1114-F1122 HydrophobicContact CD-CZ 4.22Å; K1114-F1122 HydrophobicContact CG-CD1 4.2Å; K1114-F1122 HydrophobicContact CG-CD2 3.56Å; K1114-F1122 HydrophobicContact CG-CE1 4.29Å; K1114-F1122 HydrophobicContact CG-CE2 3.69Å; K1114-F1122 HydrophobicContact CG-CG 3.85Å; K1114-F1122 HydrophobicContact CG-CZ 4.05Å; E1119-F1122 PolarHBondContact O-N 2.77Å; F1122-S1124 PolarHBondContact O-N 2.8Å; F1122-I1125 PolarHBondContact O-N 2.88Å; F1122-I1125 VanDerWaalsContact O-N 3.15Å; F1122-I1130 HydrophobicContact CE1-CD1 4.33Å; F1122-I1130 HydrophobicContact CE2-CD1 3.6Å; F1122-I1130 HydrophobicContact CE2-CG1 4.14Å; F1122-I1130 HydrophobicContact CZ-CD1 3.49Å; F1122-I1130 VanDerWaalsContact CZ-CD1 3.49Å; F1122-I1130 HydrophobicContact CZ-CG1 4.32Å; F1122-I1130 HydrophobicContact CZ-CG2 4.43Å |
| 1123 | K | 80.4 | Confident | 82.8 | Confident | 149 Ų | 149 | 64.4 Ų | 64.4 | 65% | 0.648 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64 | -20.5 | 178.3 | -70.6 | 174 | -173.9 | 159.9 | 0 | 113.5 | E1119 T1120 I1125 | E1119-K1123 PolarHBondContact O-N 3.34Å; E1119-K1123 IonicContact OE2-NZ 3.02Å; E1119-K1123 PolarHBondContact OE2-NZ 2.85Å; T1120-K1123 PolarHBondContact O-N 2.95Å; K1123-I1125 VanDerWaalsContact C-N 3.26Å; K1123-I1125 PolarHBondContact O-N 2.88Å |
| 1124 | S | 81.5 | Confident | 82.5 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 47% | 0.469 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -14.6 | 176.9 | 76.3 | 0 | 0 | 0 | 0 | 114.1 | T1120 L1121 F1122 | T1120-S1124 PolarHBondContact O-N 2.89Å; T1120-S1124 VanDerWaalsContact O-N 3.12Å; L1121-S1124 PolarHBondContact O-N 3.45Å; L1121-S1124 PolarHBondContact O-OG 2.73Å; F1122-S1124 PolarHBondContact O-N 2.8Å |
| 1125 | I | 85.4 | Confident | 82.2 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.046 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -86.8 | 128.5 | -179.3 | -61.6 | 176.4 | 0 | 0 | 0 | 109.9 | W1090 L1094 L1113 F1122 K1123 S1127 L1129 I1130 | W1090-I1125 HydrophobicContact CB-CD1 4.08Å; W1090-I1125 HydrophobicContact CB-CG1 4.01Å; L1094-I1125 HydrophobicContact CD2-CG2 3.81Å; L1113-I1125 HydrophobicContact CD1-CD1 3.39Å; F1122-I1125 PolarHBondContact O-N 2.88Å; F1122-I1125 VanDerWaalsContact O-N 3.15Å; K1123-I1125 VanDerWaalsContact C-N 3.26Å; K1123-I1125 PolarHBondContact O-N 2.88Å; I1125-S1127 PolarHBondContact O-N 2.92Å; I1125-L1129 HydrophobicContact CG2-CB 4.27Å; I1125-I1130 HydrophobicContact CB-CD1 4.22Å; I1125-I1130 HydrophobicContact CB-CG1 4.46Å; I1125-I1130 HydrophobicContact CG2-CD1 4.08Å; I1125-I1130 HydrophobicContact CG2-CG1 3.81Å |
| 1126 | P | 88.6 | Confident | 81.8 | Confident | 60 Ų | 60 | 65 Ų | 65 | 39% | 0.39 | 38% | 0.376 | S | S | . | . | trans | -52.4 | 129.3 | 172.1 | -26.8 | 32.3 | 0 | 0 | 0 | 112.7 | A1128 L1129 I1130 | P1126-A1128 PolarHBondContact O-N 2.89Å; P1126-A1128 VanDerWaalsContact O-N 3.13Å; P1126-L1129 HydrophobicContact CB-CD1 4.28Å; P1126-L1129 HydrophobicContact CB-CG 4.35Å; P1126-L1129 HydrophobicContact CG-CD1 4.06Å; P1126-L1129 PolarHBondContact O-N 2.93Å; P1126-I1130 PolarHBondContact O-N 3.28Å | ||
| 1127 | S | 85.9 | Confident | 81.4 | Confident | 99 Ų | 99 | 66.1 Ų | 66.1 | 69% | 0.692 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.5 | -30.8 | 179 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | I1125 L1129 I1130 A1131 | I1125-S1127 PolarHBondContact O-N 2.92Å; S1127-L1129 VanDerWaalsContact C-N 3.33Å; S1127-L1129 PolarHBondContact O-N 2.75Å; S1127-I1130 PolarHBondContact O-N 2.83Å; S1127-A1131 WeakPolarHBondContact O-CB 3.08Å; S1127-A1131 PolarHBondContact O-N 2.8Å |
| 1128 | A | 88.2 | Confident | 81.1 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 60% | 0.603 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.4 | -37.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | P1126 A1132 | P1126-A1128 PolarHBondContact O-N 2.89Å; P1126-A1128 VanDerWaalsContact O-N 3.13Å; A1128-A1132 WeakPolarHBondContact O-CB 3.21Å; A1128-A1132 PolarHBondContact O-N 3.31Å |
| 1129 | L | 87.1 | Confident | 80.5 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72 | -39.9 | 177.1 | -68.4 | 172.3 | 0 | 0 | 0 | 111.1 | L1094 E1095 L1098 I1125 P1126 S1127 A1131 A1132 V1133 | L1094-L1129 HydrophobicContact CD2-CB 3.86Å; E1095-L1129 HydrophobicContact CG-CD1 3.72Å; E1095-L1129 HydrophobicContact CG-CD2 3.63Å; E1095-L1129 HydrophobicContact CG-CG 4.33Å; L1098-L1129 HydrophobicContact CD1-CD2 4.12Å; I1125-L1129 HydrophobicContact CG2-CB 4.27Å; P1126-L1129 HydrophobicContact CB-CD1 4.28Å; P1126-L1129 HydrophobicContact CB-CG 4.35Å; P1126-L1129 HydrophobicContact CG-CD1 4.06Å; P1126-L1129 PolarHBondContact O-N 2.93Å; S1127-L1129 VanDerWaalsContact C-N 3.33Å; S1127-L1129 PolarHBondContact O-N 2.75Å; L1129-A1131 VanDerWaalsContact C-N 3.31Å; L1129-A1131 PolarHBondContact O-N 3.04Å; L1129-A1132 PolarHBondContact O-N 2.84Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.28Å; L1129-V1133 PolarHBondContact O-N 3.06Å |
| 1130 | I | 85.4 | Confident | 80.1 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 11% | 0.113 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.3 | -45 | 175.1 | -62.7 | 161 | 0 | 0 | 0 | 109.6 | F1122 I1125 P1126 S1127 A1132 V1133 D1134 | F1122-I1130 HydrophobicContact CE1-CD1 4.33Å; F1122-I1130 HydrophobicContact CE2-CD1 3.6Å; F1122-I1130 HydrophobicContact CE2-CG1 4.14Å; F1122-I1130 HydrophobicContact CZ-CD1 3.49Å; F1122-I1130 VanDerWaalsContact CZ-CD1 3.49Å; F1122-I1130 HydrophobicContact CZ-CG1 4.32Å; F1122-I1130 HydrophobicContact CZ-CG2 4.43Å; I1125-I1130 HydrophobicContact CB-CD1 4.22Å; I1125-I1130 HydrophobicContact CB-CG1 4.46Å; I1125-I1130 HydrophobicContact CG2-CD1 4.08Å; I1125-I1130 HydrophobicContact CG2-CG1 3.81Å; P1126-I1130 PolarHBondContact O-N 3.28Å; S1127-I1130 PolarHBondContact O-N 2.83Å; I1130-A1132 VanDerWaalsContact C-N 3.32Å; I1130-A1132 PolarHBondContact O-N 2.66Å; I1130-V1133 WeakPolarHBondContact O-CB 3.29Å; I1130-V1133 PolarHBondContact O-N 2.9Å; I1130-D1134 PolarHBondContact O-N 2.7Å |
| 1131 | A | 86.3 | Confident | 79.7 | Confident | 58 Ų | 58 | 55.3 Ų | 55.3 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1127 L1129 D1134 S1135 | S1127-A1131 WeakPolarHBondContact O-CB 3.08Å; S1127-A1131 PolarHBondContact O-N 2.8Å; L1129-A1131 VanDerWaalsContact C-N 3.31Å; L1129-A1131 PolarHBondContact O-N 3.04Å; A1131-D1134 PolarHBondContact O-N 2.67Å; A1131-S1135 WeakPolarHBondContact O-CB 3.4Å; A1131-S1135 PolarHBondContact O-N 3.18Å; A1131-S1135 PolarHBondContact O-OG 3.49Å |
| 1132 | A | 86 | Confident | 79 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 28% | 0.281 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1098 A1128 L1129 I1130 S1135 E1136 | L1098-A1132 HydrophobicContact CD1-CB 4.09Å; A1128-A1132 WeakPolarHBondContact O-CB 3.21Å; A1128-A1132 PolarHBondContact O-N 3.31Å; L1129-A1132 PolarHBondContact O-N 2.84Å; I1130-A1132 VanDerWaalsContact C-N 3.32Å; I1130-A1132 PolarHBondContact O-N 2.66Å; A1132-S1135 PolarHBondContact O-OG 2.87Å; A1132-E1136 WeakPolarHBondContact O-CB 3.1Å; A1132-E1136 WeakPolarHBondContact O-CG 3.1Å; A1132-E1136 PolarHBondContact O-N 3.4Å; A1132-E1136 VanDerWaalsContact O-N 3.15Å |
| 1133 | V | 83.5 | Confident | 78.1 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 172.4 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | L1094 L1098 A1106 V1107 V1110 L1129 I1130 S1135 E1136 K1137 | L1094-V1133 HydrophobicContact CD1-CG2 3.65Å; L1094-V1133 HydrophobicContact CD2-CG2 3.96Å; L1094-V1133 HydrophobicContact CG-CG2 3.97Å; L1098-V1133 HydrophobicContact CD1-CG2 4.13Å; L1098-V1133 HydrophobicContact CD2-CG2 3.85Å; L1098-V1133 HydrophobicContact CG-CG2 4.26Å; A1106-V1133 HydrophobicContact CB-CG2 4.38Å; V1107-V1133 HydrophobicContact CB-CG1 4.33Å; V1107-V1133 HydrophobicContact CG2-CG1 3.56Å; V1110-V1133 HydrophobicContact CG2-CG2 4.43Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.28Å; L1129-V1133 PolarHBondContact O-N 3.06Å; I1130-V1133 WeakPolarHBondContact O-CB 3.29Å; I1130-V1133 PolarHBondContact O-N 2.9Å; V1133-S1135 VanDerWaalsContact C-N 3.33Å; V1133-S1135 PolarHBondContact O-N 3.21Å; V1133-E1136 PolarHBondContact O-N 2.93Å; V1133-K1137 WeakPolarHBondContact O-CB 3.12Å; V1133-K1137 PolarHBondContact O-N 2.66Å |
| 1134 | D | 82.9 | Confident | 77.4 | Confident | 62 Ų | 62 | 50.3 Ų | 50.3 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.7 | -32.5 | -177.9 | -75.2 | -34 | 0 | 0 | 0 | 112.6 | I1130 A1131 K1137 L1138 | I1130-D1134 PolarHBondContact O-N 2.7Å; A1131-D1134 PolarHBondContact O-N 2.67Å; D1134-K1137 IonicContact OD1-NZ 2.76Å; D1134-L1138 PolarHBondContact O-N 3.06Å |
| 1135 | S | 81.1 | Confident | 76.7 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.2 | -45.4 | 175.2 | 68.8 | 0 | 0 | 0 | 0 | 112.3 | A1131 A1132 V1133 L1138 | A1131-S1135 WeakPolarHBondContact O-CB 3.4Å; A1131-S1135 PolarHBondContact O-N 3.18Å; A1131-S1135 PolarHBondContact O-OG 3.49Å; A1132-S1135 PolarHBondContact O-OG 2.87Å; V1133-S1135 VanDerWaalsContact C-N 3.33Å; V1133-S1135 PolarHBondContact O-N 3.21Å; S1135-L1138 PolarHBondContact O-N 3.11Å |
| 1136 | E | 74.8 | Confident | 75.7 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 175.1 | -71.6 | -103.4 | 167.3 | 0 | 0 | 111 | I1103 A1132 V1133 L1138 F1139 Y1140 | I1103-E1136 HydrophobicContact CD1-CB 3.97Å; I1103-E1136 HydrophobicContact CD1-CG 4.1Å; I1103-E1136 WeakPolarHBondContact CD1-OE2 3.49Å; I1103-E1136 HydrophobicContact CG1-CB 4.14Å; I1103-E1136 WeakPolarHBondContact CG1-OE2 3.3Å; I1103-E1136 HydrophobicContact CG2-CB 3.81Å; A1132-E1136 WeakPolarHBondContact O-CB 3.1Å; A1132-E1136 WeakPolarHBondContact O-CG 3.1Å; A1132-E1136 PolarHBondContact O-N 3.4Å; A1132-E1136 VanDerWaalsContact O-N 3.15Å; V1133-E1136 PolarHBondContact O-N 2.93Å; E1136-L1138 VanDerWaalsContact C-N 3.26Å; E1136-L1138 PolarHBondContact O-N 3.12Å; E1136-F1139 WeakPolarHBondContact O-CA 3.49Å; E1136-F1139 VanDerWaalsContact O-CB 3.26Å; E1136-F1139 WeakPolarHBondContact O-CB 3.35Å; E1136-F1139 PolarHBondContact O-N 3.45Å; E1136-Y1140 WeakPolarHBondContact O-CD2 3.18Å; E1136-Y1140 PolarHBondContact O-N 2.68Å |
| 1137 | K | 73 | Confident | 74.5 | Confident | 41 Ų | 41 | 50.9 Ų | 50.9 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.3 | -39.9 | 176.8 | 176 | 179.7 | 179.9 | 176.4 | 0 | 112.3 | V1107 V1133 D1134 F1139 Y1140 Y1141 | V1107-K1137 HydrophobicContact CG1-CD 3.75Å; V1107-K1137 HydrophobicContact CG1-CG 4.26Å; V1107-K1137 HydrophobicContact CG2-CB 3.76Å; V1107-K1137 HydrophobicContact CG2-CD 3.87Å; V1107-K1137 HydrophobicContact CG2-CG 3.82Å; V1133-K1137 WeakPolarHBondContact O-CB 3.12Å; V1133-K1137 PolarHBondContact O-N 2.66Å; D1134-K1137 IonicContact OD1-NZ 2.76Å; K1137-F1139 PolarHBondContact O-N 2.76Å; K1137-Y1140 PolarHBondContact O-N 2.9Å; K1137-Y1141 HydrophobicContact CD-CD2 4.49Å; K1137-Y1141 HydrophobicContact CD-CE2 3.92Å; K1137-Y1141 HydrophobicContact CG-CD2 3.56Å; K1137-Y1141 HydrophobicContact CG-CE2 3.31Å; K1137-Y1141 WeakPolarHBondContact O-CD2 3.49Å; K1137-Y1141 PolarHBondContact O-N 2.76Å |
| 1138 | L | 66.5 | Low | 73.5 | Confident | 98 Ų | 98 | 49.6 Ų | 49.6 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 176.3 | -126.3 | 90.4 | 0 | 0 | 0 | 111.8 | D1134 S1135 E1136 Y1141 N1142 | D1134-L1138 PolarHBondContact O-N 3.06Å; S1135-L1138 PolarHBondContact O-N 3.11Å; E1136-L1138 VanDerWaalsContact C-N 3.26Å; E1136-L1138 PolarHBondContact O-N 3.12Å; L1138-Y1141 PolarHBondContact O-N 3.17Å; L1138-N1142 PolarHBondContact O-N 2.85Å; L1138-N1142 PolarHBondContact O-ND2 3.47Å; L1138-N1142 PolarHBondContact O-OD1 2.91Å |
| 1139 | F | 64.9 | Low | 71.8 | Confident | 108 Ų | 108 | 49.5 Ų | 49.5 | 47% | 0.474 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 177.5 | -179.9 | -94.5 | 0 | 0 | 0 | 111.8 | L70 E1136 K1137 N1142 | L70-F1139 HydrophobicContact CD1-CZ 4.38Å; E1136-F1139 WeakPolarHBondContact O-CA 3.49Å; E1136-F1139 VanDerWaalsContact O-CB 3.26Å; E1136-F1139 WeakPolarHBondContact O-CB 3.35Å; E1136-F1139 PolarHBondContact O-N 3.45Å; K1137-F1139 PolarHBondContact O-N 2.76Å; F1139-N1142 WeakPolarHBondContact O-CB 3.31Å; F1139-N1142 PolarHBondContact O-N 3.43Å |
| 1140 | Y | 63.6 | Low | 69.9 | Low | 29 Ų | 29 | 56.2 Ų | 56.2 | 11% | 0.114 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.7 | -32 | 178.2 | -72.5 | -92.2 | 0 | 0 | 0 | 112.6 | D67 I1103 E1136 K1137 N1142 L1143 | D67-Y1140 HydrophobicContact CB-CE1 4.39Å; D67-Y1140 PolarHBondContact O-OH 2.87Å; I1103-Y1140 HydrophobicContact CB-CD2 3.82Å; I1103-Y1140 HydrophobicContact CB-CE2 3.49Å; I1103-Y1140 VanDerWaalsContact CB-CE2 3.49Å; I1103-Y1140 HydrophobicContact CG1-CD2 4.25Å; I1103-Y1140 HydrophobicContact CG1-CE2 3.47Å; I1103-Y1140 VanDerWaalsContact CG1-CE2 3.47Å; I1103-Y1140 HydrophobicContact CG2-CD2 3.69Å; I1103-Y1140 HydrophobicContact CG2-CE2 3.83Å; E1136-Y1140 WeakPolarHBondContact O-CD2 3.18Å; E1136-Y1140 PolarHBondContact O-N 2.68Å; K1137-Y1140 PolarHBondContact O-N 2.9Å; Y1140-N1142 VanDerWaalsContact C-N 3.31Å; Y1140-L1143 WeakPolarHBondContact O-CB 3.25Å; Y1140-L1143 PolarHBondContact O-N 3.26Å |
| 1141 | Y | 68.3 | Low | 67.5 | Low | 11 Ų | 11 | 62.5 Ų | 62.5 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77.9 | -12.7 | 171.1 | -69 | -51.1 | 0 | 0 | 0 | 114.1 | K1137 L1138 L1143 C1144 L1147 | K1137-Y1141 HydrophobicContact CD-CD2 4.49Å; K1137-Y1141 HydrophobicContact CD-CE2 3.92Å; K1137-Y1141 HydrophobicContact CG-CD2 3.56Å; K1137-Y1141 HydrophobicContact CG-CE2 3.31Å; K1137-Y1141 WeakPolarHBondContact O-CD2 3.49Å; K1137-Y1141 PolarHBondContact O-N 2.76Å; L1138-Y1141 PolarHBondContact O-N 3.17Å; Y1141-L1143 PolarHBondContact O-N 3.22Å; Y1141-C1144 CarbonylContact O-C 3.57Å; Y1141-C1144 PolarHBondContact O-N 3.31Å; Y1141-L1147 HydrophobicContact CD1-CB 3.41Å; Y1141-L1147 VanDerWaalsContact CD1-CB 3.41Å; Y1141-L1147 HydrophobicContact CD1-CD1 4.06Å; Y1141-L1147 HydrophobicContact CD1-CG 4.4Å; Y1141-L1147 HydrophobicContact CE1-CB 3.68Å; Y1141-L1147 HydrophobicContact CE1-CD1 4.13Å; Y1141-L1147 HydrophobicContact CE1-CG 4.49Å; Y1141-L1147 HydrophobicContact CG-CB 4.3Å |
| 1142 | N | 65.2 | Low | 64.8 | Low | 71 Ų | 71 | 63.1 Ų | 63.1 | 38% | 0.38 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -9.9 | 166.8 | -66.5 | -30 | 0 | 0 | 0 | 112 | S844 L1138 F1139 Y1140 K1148 | S844-N1142 PolarHBondContact OG-O 3.06Å; L1138-N1142 PolarHBondContact O-N 2.85Å; L1138-N1142 PolarHBondContact O-ND2 3.47Å; L1138-N1142 PolarHBondContact O-OD1 2.91Å; F1139-N1142 WeakPolarHBondContact O-CB 3.31Å; F1139-N1142 PolarHBondContact O-N 3.43Å; Y1140-N1142 VanDerWaalsContact C-N 3.31Å; N1142-K1148 WeakPolarHBondContact OD1-CE 3.28Å; N1142-K1148 PolarHBondContact OD1-NZ 2.79Å |
| 1143 | L | 62.1 | Low | 62 | Low | 31 Ų | 31 | 69.1 Ų | 69.1 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -22 | 163.3 | -97.7 | 109.4 | 0 | 0 | 0 | 112.8 | P804 L808 S843 S844 L845 Y1140 Y1141 | P804-L1143 HydrophobicContact CB-CD2 4.33Å; L808-L1143 HydrophobicContact CB-CD2 4.17Å; L808-L1143 HydrophobicContact CD1-CB 4.46Å; S843-L1143 WeakPolarHBondContact CA-O 3.22Å; S843-L1143 WeakPolarHBondContact CB-O 3.08Å; S844-L1143 PolarHBondContact N-O 3.29Å; S844-L1143 WeakPolarHBondContact OG-CA 3.43Å; L845-L1143 HydrophobicContact CD2-CD2 3.89Å; L845-L1143 HydrophobicContact CG-CD2 4.27Å; Y1140-L1143 WeakPolarHBondContact O-CB 3.25Å; Y1140-L1143 PolarHBondContact O-N 3.26Å; Y1141-L1143 PolarHBondContact O-N 3.22Å |
| 1144 | C | 66 | Low | 59.4 | Low | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -156.6 | 104.1 | 179.4 | -177.4 | 0 | 0 | 0 | 0 | 111 | L808 A839 Y1141 S1146 L1147 | L808-C1144 HydrophobicContact CD1-CB 3.73Å; A839-C1144 PolarHBondContact O-SG 3.22Å; Y1141-C1144 CarbonylContact O-C 3.57Å; Y1141-C1144 PolarHBondContact O-N 3.31Å; C1144-S1146 PolarHBondContact O-N 2.56Å; C1144-S1146 VanDerWaalsContact O-N 3.13Å; C1144-S1146 PolarHBondContact SG-OG 2.88Å; C1144-L1147 HydrophobicContact CB-CD1 4.09Å; C1144-L1147 HydrophobicContact CB-CG 4.27Å; C1144-L1147 PolarHBondContact O-N 3.01Å |
| 1145 | D | 64.9 | Low | 56.7 | Low | 95 Ų | 95 | 78.2 Ų | 78.2 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -59.6 | -28.4 | -175.5 | -82.4 | -28.9 | 0 | 0 | 0 | 113.4 | L1147 K1148 | D1145-L1147 PolarHBondContact O-N 3.14Å; D1145-K1148 WeakPolarHBondContact O-CB 3.35Å; D1145-K1148 PolarHBondContact O-N 3.48Å; D1145-K1148 WeakPolarHBondContact OD1-CE 3.48Å; D1145-K1148 IonicContact OD1-NZ 3.24Å; D1145-K1148 PolarHBondContact OD1-NZ 2.76Å |
| 1146 | S | 65.6 | Low | 54.2 | Low | 49 Ų | 49 | 83.8 Ų | 83.8 | 34% | 0.343 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -66.1 | -19.1 | 177.8 | 73.7 | 0 | 0 | 0 | 0 | 114.4 | A839 C1144 | A839-S1146 VanDerWaalsContact CB-OG 3.24Å; A839-S1146 WeakPolarHBondContact CB-OG 3.26Å; C1144-S1146 PolarHBondContact O-N 2.56Å; C1144-S1146 VanDerWaalsContact O-N 3.13Å; C1144-S1146 PolarHBondContact SG-OG 2.88Å |
| 1147 | L | 64 | Low | 52.1 | Low | 4 Ų | 4 | 88.3 Ų | 88.3 | 2% | 0.021 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -87.9 | -8.9 | 178 | -68.4 | 178 | 0 | 0 | 0 | 113.1 | L811 L812 N815 F819 Y1141 C1144 D1145 | L811-L1147 HydrophobicContact CB-CD1 4.29Å; L812-L1147 HydrophobicContact CD2-CD1 3.91Å; L812-L1147 HydrophobicContact CD2-CD2 4.2Å; L812-L1147 HydrophobicContact CD2-CG 4.18Å; L812-L1147 HydrophobicContact CG-CD1 4.4Å; N815-L1147 HydrophobicContact CB-CD2 3.7Å; F819-L1147 HydrophobicContact CZ-CD2 4.5Å; Y1141-L1147 HydrophobicContact CD1-CB 3.41Å; Y1141-L1147 VanDerWaalsContact CD1-CB 3.41Å; Y1141-L1147 HydrophobicContact CD1-CD1 4.06Å; Y1141-L1147 HydrophobicContact CD1-CG 4.4Å; Y1141-L1147 HydrophobicContact CE1-CB 3.68Å; Y1141-L1147 HydrophobicContact CE1-CD1 4.13Å; Y1141-L1147 HydrophobicContact CE1-CG 4.49Å; Y1141-L1147 HydrophobicContact CG-CB 4.3Å; C1144-L1147 HydrophobicContact CB-CD1 4.09Å; C1144-L1147 HydrophobicContact CB-CG 4.27Å; C1144-L1147 PolarHBondContact O-N 3.01Å; D1145-L1147 PolarHBondContact O-N 3.14Å |
| 1148 | K | 63.1 | Low | 51 | Low | 71 Ų | 71 | 90.7 Ų | 90.7 | 31% | 0.309 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -60.9 | 129.5 | 174.5 | -73.5 | 176.4 | 174.9 | 163.7 | 0 | 108 | N1142 D1145 E1150 | N1142-K1148 WeakPolarHBondContact OD1-CE 3.28Å; N1142-K1148 PolarHBondContact OD1-NZ 2.79Å; D1145-K1148 WeakPolarHBondContact O-CB 3.35Å; D1145-K1148 PolarHBondContact O-N 3.48Å; D1145-K1148 WeakPolarHBondContact OD1-CE 3.48Å; D1145-K1148 IonicContact OD1-NZ 3.24Å; D1145-K1148 PolarHBondContact OD1-NZ 2.76Å; K1148-E1150 PolarHBondContact O-N 3.38Å |
| 1149 | P | 54.1 | Low | 50.2 | Low | 71 Ų | 71 | 90.3 Ų | 90.3 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 121.7 | 175.3 | 23.3 | -30.7 | 0 | 0 | 0 | 107.9 | T1151 | P1149-T1151 PolarHBondContact O-N 2.84Š|
| 1150 | E | 47.2 | Very low | 49.4 | Very low | 167 Ų | 167 | 89.3 Ų | 89.3 | 78% | 0.78 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 129.6 | 170.8 | -71.1 | -172.5 | 165.1 | 0 | 0 | 107.3 | K1148 S1152 | K1148-E1150 PolarHBondContact O-N 3.38Å; E1150-S1152 PolarHBondContact O-N 2.89Å |
| 1151 | T | 34.4 | Very low | 48.6 | Very low | 154 Ų | 154 | 92.9 Ų | 92.9 | 95% | 0.945 | 51% | 0.511 | S | S | * | . | trans | -68.7 | 70.6 | 170.3 | 47.1 | 0 | 0 | 0 | 0 | 108.4 | P1149 | P1149-T1151 PolarHBondContact O-N 2.84Š| ||
| 1152 | S | 30.2 | Very low | 47.3 | Very low | 71 Ų | 71 | 98 Ų | 98 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | trans | -121.6 | 111 | 172 | 60.6 | 0 | 0 | 0 | 0 | 107.9 | E1150 I1154 | E1150-S1152 PolarHBondContact O-N 2.89Å; S1152-I1154 PolarHBondContact O-N 3.33Å | ||
| 1153 | L | 27.8 | Very low | 46.2 | Very low | 161 Ų | 161 | 99.8 Ų | 99.8 | 84% | 0.843 | 55% | 0.551 | S | S | * | * | trans | -44 | 100.4 | 157.6 | -72.6 | 134.3 | 0 | 0 | 0 | 109.2 | ||||
| 1154 | I | 28.8 | Very low | 45 | Very low | 125 Ų | 125 | 104.7 Ų | 104.7 | 64% | 0.641 | 58% | 0.579 | S | S | * | * | trans | -90.4 | 93.8 | 150.3 | -58.9 | 177.4 | 0 | 0 | 0 | 103.8 | S1152 F1156 | S1152-I1154 PolarHBondContact O-N 3.33Å; I1154-F1156 HydrophobicContact CB-CE2 4.35Å; I1154-F1156 HydrophobicContact CG2-CD2 3.89Å; I1154-F1156 HydrophobicContact CG2-CE2 3.65Å; I1154-F1156 HydrophobicContact CG2-CZ 4.17Å; I1154-F1156 PolarHBondContact O-N 2.59Å | ||
| 1155 | D | 25.2 | Very low | 43.4 | Very low | 129 Ų | 129 | 112.7 Ų | 112.7 | 69% | 0.69 | 62% | 0.623 | S | S | * | * | trans | -57.9 | 102.2 | 163.8 | -97.9 | -27.2 | 0 | 0 | 0 | 107.1 | S1157 | D1155-S1157 PolarHBondContact O-N 2.97Š| ||
| 1156 | F | 28.3 | Very low | 41.6 | Very low | 195 Ų | 195 | 114.2 Ų | 114.2 | 86% | 0.855 | 63% | 0.633 | S | S | * | * | trans | -81.9 | 73.4 | 155.6 | -77 | -84.3 | 0 | 0 | 0 | 107.1 | I1154 | I1154-F1156 HydrophobicContact CB-CE2 4.35Å; I1154-F1156 HydrophobicContact CG2-CD2 3.89Å; I1154-F1156 HydrophobicContact CG2-CE2 3.65Å; I1154-F1156 HydrophobicContact CG2-CZ 4.17Å; I1154-F1156 PolarHBondContact O-N 2.59Å | ||
| 1157 | S | 30.8 | Very low | 39.4 | Very low | 173 Ų | 173 | 120.1 Ų | 120.1 | 100% | 1.21 | 66% | 0.659 | S | S | * | * | trans | -84.3 | 0 | 161.9 | 65.2 | 0 | 0 | 0 | 0 | 110.5 | D1155 | D1155-S1157 PolarHBondContact O-N 2.97Š|
Retrieved 1,157 of 1,157 residues in 514.9 ms
(Link to these results)