| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | E | 63 | Low | 87.1 | Confident | 128 Ų | 128 | 54.1 Ų | 54.1 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | 0 | 22.8 | 0 | -123.1 | 106.5 | 103.4 | 0 | 0 | 113.2 | R3 K85 P263 | E1-R3 PolarHBondContact O-N 3.38Å; E1-K85 IonicContact OE1-NZ 3.41Å; E1-K85 PolarHBondContact OE1-NZ 3.27Å; E1-P263 WeakPolarHBondContact OE2-CB 3.49Å; E1-P263 WeakPolarHBondContact OE2-CG 3.23Å | |||
| 2 | D | 75.7 | Confident | 87.1 | Confident | 87 Ų | 87 | 62 Ų | 62 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | trans | -103 | 67.3 | -131.2 | -39.4 | -64.6 | 0 | 0 | 0 | 113.4 | H53 F80 | D2-H53 PolarHBondContact O-ND1 3.09Å; D2-F80 HydrophobicContact CB-CD1 4.15Å; D2-F80 HydrophobicContact CB-CE1 4.25Å; D2-F80 VanDerWaalsContact O-CE1 3.25Å; D2-F80 WeakPolarHBondContact O-CE1 3.33Å | ||
| 3 | R | 90.4 | Very high | 87 | Confident | 113 Ų | 113 | 69.9 Ų | 69.9 | 43% | 0.426 | 32% | 0.322 | S | S | . | . | trans | -113.7 | -2.5 | -177.6 | -78.2 | -176.2 | -80.4 | 166.8 | -3.2 | 115.2 | E1 K49 Y50 S51 H53 | E1-R3 PolarHBondContact O-N 3.38Å; R3-K49 WeakPolarHBondContact O-CA 3.44Å; R3-Y50 WeakPolarHBondContact CB-O 3.09Å; R3-Y50 PolarHBondContact O-N 2.98Å; R3-S51 WeakPolarHBondContact CD-O 3.29Å; R3-S51 PolarHBondContact NH1-O 2.92Å; R3-H53 HydrophobicContact CG-CB 4.42Å | ||
| 4 | K | 93.4 | Very high | 86.7 | Confident | 79 Ų | 79 | 67.4 Ų | 67.4 | 34% | 0.343 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.5 | 178.4 | -166.4 | 161.5 | -176.6 | 163.7 | 0 | 110.2 | E31 F47 K49 A81 | K4-E31 WeakPolarHBondContact CE-OE1 3.38Å; K4-E31 IonicContact NZ-OE1 3.63Å; K4-E31 PolarHBondContact NZ-OE1 2.77Å; K4-F47 HydrophobicContact CG-CB 4.41Å; K4-F47 HydrophobicContact CG-CD1 4.43Å; K4-K49 HydrophobicContact CG-CB 4.45Å; K4-A81 HydrophobicContact CB-CB 4.39Å; K4-A81 HydrophobicContact CG-CB 4.19Å; K4-A81 WeakPolarHBondContact O-CB 3.3Å; K4-A81 PolarHBondContact O-N 2.86Å |
| 5 | L | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 145.6 | 175.7 | -58.1 | -174.1 | 0 | 0 | 0 | 110.5 | F23 F47 V48 Y50 A56 A59 I60 V78 K79 F80 | L5-F23 HydrophobicContact CD1-CE1 4.2Å; L5-F47 VanDerWaalsContact O-CA 3.26Å; L5-F47 WeakPolarHBondContact O-CA 3.41Å; L5-F47 WeakPolarHBondContact O-CD1 3.48Å; L5-V48 PolarHBondContact N-O 2.93Å; L5-V48 PolarHBondContact O-N 3.03Å; L5-Y50 HydrophobicContact CD1-CD2 4.19Å; L5-Y50 HydrophobicContact CD1-CE2 3.74Å; L5-A56 HydrophobicContact CD1-CB 4.4Å; L5-A56 HydrophobicContact CD2-CB 4Å; L5-A56 HydrophobicContact CG-CB 4.21Å; L5-A59 HydrophobicContact CD1-CB 4Å; L5-I60 HydrophobicContact CD1-CG1 4.19Å; L5-I60 HydrophobicContact CD2-CD1 3.6Å; L5-I60 HydrophobicContact CD2-CG1 3.74Å; L5-V78 HydrophobicContact CD1-CG1 3.81Å; L5-K79 CarbonylContact C-O 3.55Å; L5-K79 WeakPolarHBondContact CA-O 3.4Å; L5-K79 WeakPolarHBondContact CB-O 3.48Å; L5-F80 HydrophobicContact CD2-CD1 3.69Å; L5-F80 HydrophobicContact CD2-CE1 3.89Å; L5-F80 HydrophobicContact CD2-CG 4.35Å |
| 6 | F | 94.1 | Very high | 87.3 | Confident | 51 Ų | 51 | 64.8 Ų | 64.8 | 22% | 0.224 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 131.8 | 160.4 | 172.6 | -94.3 | 0 | 0 | 0 | 108.6 | C45 F47 V78 K79 A81 | F6-C45 HydrophobicContact CE2-CB 3.58Å; F6-C45 HydrophobicContact CZ-CB 3.56Å; F6-F47 HydrophobicContact CB-CD1 4.25Å; F6-F47 HydrophobicContact CB-CE1 4Å; F6-F47 HydrophobicContact CD2-CD1 4.37Å; F6-F47 AromaticContact CD2-CE1 3.75Å; F6-F47 HydrophobicContact CD2-CE1 3.75Å; F6-F47 AromaticContact CD2-CZ 3.9Å; F6-F47 HydrophobicContact CD2-CZ 3.9Å; F6-F47 HydrophobicContact CG-CE1 4.38Å; F6-V78 WeakPolarHBondContact O-CA 3.31Å; F6-K79 HydrophobicContact CB-CG 4.09Å; F6-K79 HydrophobicContact CD1-CD 4.23Å; F6-K79 HydrophobicContact CD1-CG 4.03Å; F6-K79 PolarHBondContact N-O 3.45Å; F6-K79 PolarHBondContact O-N 2.79Å; F6-A81 HydrophobicContact CB-CB 4.2Å |
| 7 | V | 92.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 103.4 | 178.9 | -174.7 | 0 | 0 | 0 | 0 | 107.5 | L10 F23 C45 A46 V48 V78 | V7-L10 HydrophobicContact CB-CD1 4.35Å; V7-L10 HydrophobicContact CG1-CD1 3.97Å; V7-L10 HydrophobicContact CG1-CD2 4.03Å; V7-L10 HydrophobicContact CG1-CG 3.97Å; V7-F23 HydrophobicContact CB-CZ 4.22Å; V7-F23 HydrophobicContact CG1-CE2 4.04Å; V7-F23 HydrophobicContact CG1-CZ 3.76Å; V7-F23 HydrophobicContact CG2-CE1 3.65Å; V7-F23 HydrophobicContact CG2-CE2 4.13Å; V7-F23 HydrophobicContact CG2-CZ 3.35Å; V7-C45 CarbonylContact O-C 3.55Å; V7-C45 WeakPolarHBondContact O-CA 3.35Å; V7-C45 VanDerWaalsContact O-CB 3.3Å; V7-C45 WeakPolarHBondContact O-CB 3.24Å; V7-A46 HydrophobicContact CB-CB 4.42Å; V7-A46 PolarHBondContact N-O 2.79Å; V7-A46 PolarHBondContact O-N 2.97Å; V7-V48 HydrophobicContact CG2-CG2 3.91Å; V7-V78 HydrophobicContact CG1-CG2 4.38Å |
| 8 | G | 91.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 166.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L10 V77 | G8-L10 VanDerWaalsContact C-N 3.3Å; G8-L10 PolarHBondContact O-N 2.83Å; G8-V77 PolarHBondContact N-O 2.59Å; G8-V77 PolarHBondContact O-N 3.32Å |
| 9 | M | 90.7 | Very high | 87.8 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 51% | 0.507 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 63.3 | 28.8 | 179.7 | -51 | -51.7 | -179.8 | 0 | 0 | 114.9 | G44 S75 V77 | M9-G44 PolarHBondContact N-O 3.37Å; M9-S75 WeakPolarHBondContact CB-O 3.46Å; M9-V77 HydrophobicContact CB-CG2 4.48Å; M9-V77 HydrophobicContact CG-CB 4.49Å; M9-V77 HydrophobicContact CG-CG2 3.72Å |
| 10 | L | 87.9 | Confident | 88.1 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | trans | -68.6 | 142 | 168 | -69.2 | 166.7 | 0 | 0 | 0 | 110.5 | V7 G8 K12 V19 G44 A46 L76 | V7-L10 HydrophobicContact CB-CD1 4.35Å; V7-L10 HydrophobicContact CG1-CD1 3.97Å; V7-L10 HydrophobicContact CG1-CD2 4.03Å; V7-L10 HydrophobicContact CG1-CG 3.97Å; G8-L10 VanDerWaalsContact C-N 3.3Å; G8-L10 PolarHBondContact O-N 2.83Å; L10-K12 PolarHBondContact O-N 3.31Å; L10-V19 HydrophobicContact CD1-CG2 3.77Å; L10-V19 HydrophobicContact CD2-CG2 3.9Å; L10-G44 PolarHBondContact N-O 2.62Å; L10-G44 WeakPolarHBondContact O-CA 3.34Å; L10-A46 HydrophobicContact CD1-CB 3.52Å; L10-L76 HydrophobicContact CD2-CD2 3.68Å; L10-L76 HydrophobicContact CG-CD2 4.24Å | ||
| 11 | N | 85.5 | Confident | 88.2 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | trans | -59.7 | 132.7 | 166.6 | 174.7 | -9.6 | 0 | 0 | 0 | 108.9 | Q13 Q14 P70 A72 | N11-Q13 PolarHBondContact O-N 2.89Å; N11-Q13 PolarHBondContact OD1-N 3.05Å; N11-Q13 PolarHBondContact OD1-NE2 3.42Å; N11-Q14 HydrophobicContact CB-CG 4.01Å; N11-Q14 WeakPolarHBondContact O-CB 3.47Å; N11-Q14 WeakPolarHBondContact O-CG 3.49Å; N11-Q14 PolarHBondContact O-N 2.81Å; N11-P70 PolarHBondContact ND2-O 3.05Å; N11-A72 HydrophobicContact CB-CB 4.23Å | ||
| 12 | K | 86.9 | Confident | 89.5 | Confident | 149 Ų | 149 | 68.2 Ų | 68.2 | 65% | 0.648 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -16.2 | -175.7 | -62.8 | -176.5 | -178.6 | 176.4 | 0 | 114.3 | L10 S42 | L10-K12 PolarHBondContact O-N 3.31Å; K12-S42 WeakPolarHBondContact O-CB 3.44Å |
| 13 | Q | 85.4 | Confident | 90.3 | Very high | 165 Ų | 165 | 64 Ų | 64 | 77% | 0.771 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -10.2 | 177.2 | -65.9 | 166.4 | 96.6 | 0 | 0 | 113.7 | N11 | N11-Q13 PolarHBondContact O-N 2.89Å; N11-Q13 PolarHBondContact OD1-N 3.05Å; N11-Q13 PolarHBondContact OD1-NE2 3.42Å |
| 14 | Q | 83.4 | Confident | 90.4 | Very high | 34 Ų | 34 | 63.5 Ų | 63.5 | 16% | 0.159 | 29% | 0.293 | C | S | . | . | trans | -67.6 | 142.2 | -179.9 | -69.7 | -84.8 | -90.5 | 0 | 0 | 111.8 | N11 I34 | N11-Q14 HydrophobicContact CB-CG 4.01Å; N11-Q14 WeakPolarHBondContact O-CB 3.47Å; N11-Q14 WeakPolarHBondContact O-CG 3.49Å; N11-Q14 PolarHBondContact O-N 2.81Å; Q14-I34 WeakPolarHBondContact O-CD1 3.49Å | ||
| 15 | S | 90.4 | Very high | 90.4 | Very high | 39 Ų | 39 | 64.5 Ų | 64.5 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | trans | -92.5 | 166.1 | 173.7 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | D17 D18 V19 I34 | S15-D17 PolarHBondContact O-N 3.12Å; S15-D17 PolarHBondContact OG-N 2.72Å; S15-D18 WeakPolarHBondContact CB-OD2 3.45Å; S15-D18 PolarHBondContact N-OD2 3.42Å; S15-D18 PolarHBondContact O-N 2.93Å; S15-D18 VanDerWaalsContact OG-CG 3.26Å; S15-D18 PolarHBondContact OG-N 3.45Å; S15-D18 VanDerWaalsContact OG-N 3.09Å; S15-D18 PolarHBondContact OG-OD2 2.96Å; S15-V19 WeakPolarHBondContact O-CG2 3.44Å; S15-V19 PolarHBondContact O-N 3.45Å; S15-I34 VanDerWaalsContact C-CD1 3.43Å | ||
| 16 | E | 91.3 | Very high | 90.3 | Very high | 55 Ų | 55 | 67.5 Ų | 67.5 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -27 | 172.8 | -83.4 | 126.2 | 131.3 | 0 | 0 | 112.6 | R20 C32 I34 R36 | E16-R20 WeakPolarHBondContact O-CB 3.2Å; E16-R20 PolarHBondContact O-N 3.42Å; E16-C32 PolarHBondContact O-SG 3.02Å; E16-C32 VanDerWaalsContact O-SG 3.42Å; E16-I34 HydrophobicContact CG-CB 3.92Å; E16-I34 HydrophobicContact CG-CD1 4.03Å; E16-I34 HydrophobicContact CG-CG1 3.83Å; E16-I34 PolarHBondContact OE1-N 3.1Å; E16-R36 IonicContact OE2-CZ 3.29Å; E16-R36 IonicContact OE2-NE 3.91Å; E16-R36 IonicContact OE2-NH2 3.41Å; E16-R36 PolarHBondContact OE2-NH2 3.26Å |
| 17 | D | 91.9 | Very high | 90.2 | Very high | 100 Ų | 100 | 65.8 Ų | 65.8 | 54% | 0.535 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.5 | -37.4 | 172.4 | -64.9 | -87.7 | 0 | 0 | 0 | 113.2 | S15 R20 R21 | S15-D17 PolarHBondContact O-N 3.12Å; S15-D17 PolarHBondContact OG-N 2.72Å; D17-R20 PolarHBondContact O-N 3.02Å; D17-R21 WeakPolarHBondContact O-CB 3.44Å; D17-R21 WeakPolarHBondContact O-CD 3.23Å; D17-R21 VanDerWaalsContact O-CG 3.23Å; D17-R21 WeakPolarHBondContact O-CG 3.43Å; D17-R21 PolarHBondContact O-N 3.26Å |
| 18 | D | 90.3 | Very high | 90.3 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 34% | 0.342 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 173.6 | -64.1 | -67.2 | 0 | 0 | 0 | 110.9 | S15 R20 R21 L22 | S15-D18 WeakPolarHBondContact CB-OD2 3.45Å; S15-D18 PolarHBondContact N-OD2 3.42Å; S15-D18 PolarHBondContact O-N 2.93Å; S15-D18 VanDerWaalsContact OG-CG 3.26Å; S15-D18 PolarHBondContact OG-N 3.45Å; S15-D18 VanDerWaalsContact OG-N 3.09Å; S15-D18 PolarHBondContact OG-OD2 2.96Å; D18-R20 VanDerWaalsContact C-N 3.31Å; D18-R20 PolarHBondContact O-N 3.07Å; D18-R21 PolarHBondContact O-N 2.86Å; D18-L22 PolarHBondContact O-N 2.81Å |
| 19 | V | 90.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | L10 S15 L22 F23 I34 A46 V48 | L10-V19 HydrophobicContact CD1-CG2 3.77Å; L10-V19 HydrophobicContact CD2-CG2 3.9Å; S15-V19 WeakPolarHBondContact O-CG2 3.44Å; S15-V19 PolarHBondContact O-N 3.45Å; V19-L22 PolarHBondContact O-N 3.49Å; V19-F23 HydrophobicContact CG1-CD2 4.23Å; V19-F23 HydrophobicContact CG1-CE2 4.39Å; V19-F23 WeakPolarHBondContact O-CB 3.18Å; V19-F23 VanDerWaalsContact O-CD2 3.23Å; V19-F23 WeakPolarHBondContact O-CD2 3.17Å; V19-F23 PolarHBondContact O-N 3.2Å; V19-I34 HydrophobicContact CG2-CD1 4.17Å; V19-I34 HydrophobicContact CG2-CG1 4.47Å; V19-A46 HydrophobicContact CG1-CB 4.31Å; V19-V48 HydrophobicContact CG1-CG2 3.77Å |
| 20 | R | 92.9 | Very high | 90.6 | Very high | 131 Ų | 131 | 71.2 Ų | 71.2 | 49% | 0.494 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 175.3 | 179.3 | -176.7 | 167.1 | 155.1 | 1.5 | 111.6 | E16 D17 D18 L22 F23 E24 I29 | E16-R20 WeakPolarHBondContact O-CB 3.2Å; E16-R20 PolarHBondContact O-N 3.42Å; D17-R20 PolarHBondContact O-N 3.02Å; D18-R20 VanDerWaalsContact C-N 3.31Å; D18-R20 PolarHBondContact O-N 3.07Å; R20-L22 VanDerWaalsContact C-N 3.28Å; R20-L22 PolarHBondContact O-N 3.17Å; R20-F23 PolarHBondContact O-N 3.05Å; R20-E24 IonicContact NE-OE1 2.63Å; R20-E24 WeakPolarHBondContact O-CB 3.49Å; R20-E24 PolarHBondContact O-N 3.42Å; R20-I29 HydrophobicContact CB-CD1 4.45Å; R20-I29 HydrophobicContact CG-CD1 3.97Å; R20-I29 WeakPolarHBondContact O-CD1 3.35Å |
| 21 | R | 91.3 | Very high | 90.8 | Very high | 184 Ų | 184 | 74.5 Ų | 74.5 | 69% | 0.694 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.9 | -35 | 178.7 | -75.3 | 166.6 | -179.7 | -96.6 | 2 | 113.3 | D17 D18 | D17-R21 WeakPolarHBondContact O-CB 3.44Å; D17-R21 WeakPolarHBondContact O-CD 3.23Å; D17-R21 VanDerWaalsContact O-CG 3.23Å; D17-R21 WeakPolarHBondContact O-CG 3.43Å; D17-R21 PolarHBondContact O-N 3.26Å; D18-R21 PolarHBondContact O-N 2.86Å |
| 22 | L | 88.9 | Confident | 91.2 | Very high | 44 Ų | 44 | 75 Ų | 75 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.6 | -30.7 | 175.7 | -179.8 | 61.8 | 0 | 0 | 0 | 112.6 | D18 V19 R20 F26 L63 M69 L76 | D18-L22 PolarHBondContact O-N 2.81Å; V19-L22 PolarHBondContact O-N 3.49Å; R20-L22 VanDerWaalsContact C-N 3.28Å; R20-L22 PolarHBondContact O-N 3.17Å; L22-F26 WeakPolarHBondContact O-CE2 3.49Å; L22-L63 HydrophobicContact CD1-CD2 3.99Å; L22-L63 HydrophobicContact CG-CD1 4.24Å; L22-L63 HydrophobicContact CG-CD2 4.23Å; L22-M69 HydrophobicContact CD2-SD 4.25Å; L22-L76 HydrophobicContact CD2-CD1 3.61Å |
| 23 | F | 92.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -96.4 | -28.2 | -174.7 | -82.1 | -113.6 | 0 | 0 | 0 | 113.3 | L5 V7 V19 R20 S25 F26 I29 V48 Y50 A59 L63 V78 | L5-F23 HydrophobicContact CD1-CE1 4.2Å; V7-F23 HydrophobicContact CB-CZ 4.22Å; V7-F23 HydrophobicContact CG1-CE2 4.04Å; V7-F23 HydrophobicContact CG1-CZ 3.76Å; V7-F23 HydrophobicContact CG2-CE1 3.65Å; V7-F23 HydrophobicContact CG2-CE2 4.13Å; V7-F23 HydrophobicContact CG2-CZ 3.35Å; V19-F23 HydrophobicContact CG1-CD2 4.23Å; V19-F23 HydrophobicContact CG1-CE2 4.39Å; V19-F23 WeakPolarHBondContact O-CB 3.18Å; V19-F23 VanDerWaalsContact O-CD2 3.23Å; V19-F23 WeakPolarHBondContact O-CD2 3.17Å; V19-F23 PolarHBondContact O-N 3.2Å; R20-F23 PolarHBondContact O-N 3.05Å; F23-S25 PolarHBondContact O-N 2.66Å; F23-S25 VanDerWaalsContact O-N 3.1Å; F23-F26 PolarHBondContact O-N 3.45Å; F23-I29 HydrophobicContact CB-CD1 3.62Å; F23-V48 HydrophobicContact CB-CG1 4.21Å; F23-V48 HydrophobicContact CD1-CB 4.14Å; F23-V48 HydrophobicContact CD1-CG1 3.93Å; F23-V48 HydrophobicContact CD1-CG2 4.06Å; F23-V48 HydrophobicContact CE1-CG2 4.36Å; F23-V48 HydrophobicContact CG-CG1 4.29Å; F23-V48 HydrophobicContact CG-CG2 4.24Å; F23-Y50 WeakPolarHBondContact CB-OH 3.18Å; F23-Y50 HydrophobicContact CD1-CE2 4.21Å; F23-Y50 WeakPolarHBondContact CD1-OH 3.12Å; F23-Y50 PolarHBondContact O-OH 2.75Å; F23-A59 HydrophobicContact CD1-CB 4.35Å; F23-L63 HydrophobicContact CD1-CD1 4.05Å; F23-L63 HydrophobicContact CD2-CD1 3.72Å; F23-L63 HydrophobicContact CE1-CD1 3.84Å; F23-L63 HydrophobicContact CE2-CD1 3.53Å; F23-L63 HydrophobicContact CG-CD1 3.97Å; F23-L63 HydrophobicContact CZ-CD1 3.57Å; F23-V78 HydrophobicContact CE1-CG1 3.92Å; F23-V78 HydrophobicContact CE1-CG2 4.41Å; F23-V78 HydrophobicContact CZ-CG1 4.14Å; F23-V78 HydrophobicContact CZ-CG2 3.81Å |
| 24 | E | 93.5 | Very high | 91.8 | Very high | 101 Ų | 101 | 63.2 Ų | 63.2 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -63.2 | -23.1 | -175.8 | 66.7 | -175.2 | 67 | 0 | 0 | 113.7 | R20 F26 G27 I29 | R20-E24 IonicContact NE-OE1 2.63Å; R20-E24 WeakPolarHBondContact O-CB 3.49Å; R20-E24 PolarHBondContact O-N 3.42Å; E24-F26 PolarHBondContact O-N 2.84Å; E24-F26 VanDerWaalsContact O-N 3.12Å; E24-G27 WeakPolarHBondContact CA-O 3.3Å; E24-G27 PolarHBondContact O-N 3.14Å; E24-I29 HydrophobicContact CB-CD1 4.17Å |
| 25 | S | 92.5 | Very high | 92.2 | Very high | 101 Ų | 101 | 64.7 Ų | 64.7 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -63.5 | -10.9 | 172.2 | -166.6 | 0 | 0 | 0 | 0 | 114.5 | F23 | F23-S25 PolarHBondContact O-N 2.66Å; F23-S25 VanDerWaalsContact O-N 3.1Å |
| 26 | F | 92.3 | Very high | 92.3 | Very high | 62 Ų | 62 | 68.4 Ų | 68.4 | 27% | 0.272 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -113.1 | -3.9 | 179.8 | -56.2 | -79.3 | 0 | 0 | 0 | 113.5 | L22 F23 E24 A59 A62 L63 | L22-F26 WeakPolarHBondContact O-CE2 3.49Å; F23-F26 PolarHBondContact O-N 3.45Å; E24-F26 PolarHBondContact O-N 2.84Å; E24-F26 VanDerWaalsContact O-N 3.12Å; F26-A59 HydrophobicContact CB-CB 3.94Å; F26-A59 HydrophobicContact CG-CB 4.26Å; F26-A62 HydrophobicContact CD1-CB 4.01Å; F26-A62 HydrophobicContact CE1-CB 3.25Å; F26-A62 HydrophobicContact CZ-CB 3.65Å; F26-L63 HydrophobicContact CD2-CD1 3.97Å; F26-L63 HydrophobicContact CD2-CG 4.37Å; F26-L63 HydrophobicContact CE2-CD1 3.69Å; F26-L63 HydrophobicContact CE2-CD2 3.84Å; F26-L63 HydrophobicContact CE2-CG 3.74Å; F26-L63 HydrophobicContact CZ-CD2 4.1Å; F26-L63 HydrophobicContact CZ-CG 4.12Å |
| 27 | G | 92.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 66.7 Ų | 66.7 | 16% | 0.155 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 154.7 | 174.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E24 I29 Y50 E55 | E24-G27 WeakPolarHBondContact CA-O 3.3Å; E24-G27 PolarHBondContact O-N 3.14Å; G27-I29 PolarHBondContact O-N 3.35Å; G27-Y50 WeakPolarHBondContact O-CE1 3.42Å; G27-E55 WeakPolarHBondContact CA-OE1 3.48Å |
| 28 | S | 94.9 | Very high | 92 | Very high | 81 Ų | 81 | 68.3 Ų | 68.3 | 57% | 0.566 | 35% | 0.354 | S | S | * | . | trans | -79 | 121.7 | -179 | -63 | 0 | 0 | 0 | 0 | 111.8 | Y50 S51 E55 | S28-Y50 WeakPolarHBondContact O-CA 3.13Å; S28-S51 WeakPolarHBondContact CB-OG 3.15Å; S28-S51 PolarHBondContact O-N 3.06Å; S28-S51 PolarHBondContact O-OG 3.46Å; S28-E55 PolarHBondContact N-OE1 2.92Å | ||
| 29 | I | 95.3 | Very high | 92 | Very high | 34 Ų | 34 | 71.3 Ų | 71.3 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.9 | -178.8 | -60.8 | 167 | 0 | 0 | 0 | 109.9 | R20 F23 E24 G27 E31 C32 V48 K49 Y50 | R20-I29 HydrophobicContact CB-CD1 4.45Å; R20-I29 HydrophobicContact CG-CD1 3.97Å; R20-I29 WeakPolarHBondContact O-CD1 3.35Å; F23-I29 HydrophobicContact CB-CD1 3.62Å; E24-I29 HydrophobicContact CB-CD1 4.17Å; G27-I29 PolarHBondContact O-N 3.35Å; I29-E31 WeakPolarHBondContact CG2-O 3.19Å; I29-C32 HydrophobicContact CG2-CB 4.29Å; I29-V48 HydrophobicContact CD1-CG1 4.08Å; I29-V48 HydrophobicContact CG1-CG1 3.96Å; I29-V48 HydrophobicContact CG2-CG1 3.97Å; I29-K49 CarbonylContact C-O 3.57Å; I29-K49 WeakPolarHBondContact CA-O 3.38Å; I29-Y50 HydrophobicContact CG1-CD1 4.2Å; I29-Y50 HydrophobicContact CG1-CE1 3.87Å |
| 30 | E | 93.8 | Very high | 91.7 | Very high | 106 Ų | 106 | 73.4 Ų | 73.4 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -33.7 | 172.9 | -74.6 | -172.1 | 85.6 | 0 | 0 | 112.8 | K49 | E30-K49 HydrophobicContact CB-CD 4.04Å; E30-K49 HydrophobicContact CB-CG 4.49Å; E30-K49 PolarHBondContact N-O 3.19Å; E30-K49 IonicContact OE1-NZ 3.63Å; E30-K49 PolarHBondContact OE1-NZ 2.7Å; E30-K49 WeakPolarHBondContact OE2-CE 3.27Å; E30-K49 IonicContact OE2-NZ 3.7Å; E30-K49 PolarHBondContact OE2-NZ 2.9Å |
| 31 | E | 91.8 | Very high | 91.5 | Very high | 79 Ų | 79 | 72.6 Ų | 72.6 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 127.5 | -174.5 | -168.5 | -174.3 | 71.3 | 0 | 0 | 109.6 | K4 I29 V48 K49 | K4-E31 WeakPolarHBondContact CE-OE1 3.38Å; K4-E31 IonicContact NZ-OE1 3.63Å; K4-E31 PolarHBondContact NZ-OE1 2.77Å; I29-E31 WeakPolarHBondContact CG2-O 3.19Å; E31-V48 CarbonylContact O-C 3.55Å; E31-V48 WeakPolarHBondContact O-CA 3.33Å; E31-K49 HydrophobicContact CB-CB 3.75Å; E31-K49 HydrophobicContact CB-CD 4.12Å; E31-K49 PolarHBondContact N-O 3.48Å; E31-K49 PolarHBondContact O-N 2.72Å |
| 32 | C | 93.4 | Very high | 91.4 | Very high | 30 Ų | 30 | 64.3 Ų | 64.3 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 136.7 | 168 | -173.7 | 0 | 0 | 0 | 0 | 107.7 | E16 I29 F47 | E16-C32 PolarHBondContact O-SG 3.02Å; E16-C32 VanDerWaalsContact O-SG 3.42Å; I29-C32 HydrophobicContact CG2-CB 4.29Å; C32-F47 WeakPolarHBondContact CA-O 3.37Å |
| 33 | T | 92.5 | Very high | 91.5 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 123.9 | 178.2 | -49.4 | 0 | 0 | 0 | 0 | 110.6 | A46 F47 | T33-A46 CarbonylContact O-C 3.54Å; T33-A46 VanDerWaalsContact O-CA 3.27Å; T33-A46 WeakPolarHBondContact O-CA 3.39Å; T33-A46 WeakPolarHBondContact O-CB 3.26Å; T33-F47 PolarHBondContact N-O 2.85Å; T33-F47 PolarHBondContact O-N 2.85Å |
| 34 | I | 93.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 68.9 Ų | 68.9 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 133.6 | 172.7 | -81 | 168.5 | 0 | 0 | 0 | 109.4 | Q14 S15 E16 V19 R36 S42 A46 | Q14-I34 WeakPolarHBondContact O-CD1 3.49Å; S15-I34 VanDerWaalsContact C-CD1 3.43Å; E16-I34 HydrophobicContact CG-CB 3.92Å; E16-I34 HydrophobicContact CG-CD1 4.03Å; E16-I34 HydrophobicContact CG-CG1 3.83Å; E16-I34 PolarHBondContact OE1-N 3.1Å; V19-I34 HydrophobicContact CG2-CD1 4.17Å; V19-I34 HydrophobicContact CG2-CG1 4.47Å; I34-R36 HydrophobicContact CG2-CG 4.05Å; I34-R36 PolarHBondContact O-N 2.9Å; I34-S42 WeakPolarHBondContact CG2-OG 3.45Å; I34-A46 HydrophobicContact CG1-CB 3.81Å |
| 35 | L | 91.7 | Very high | 91.4 | Very high | 65 Ų | 65 | 64.8 Ų | 64.8 | 34% | 0.34 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 108 | 177.8 | -165.2 | 70.6 | 0 | 0 | 0 | 109.3 | K43 C45 F47 | L35-K43 HydrophobicContact CD2-CD 4.23Å; L35-K43 HydrophobicContact CG-CD 4.18Å; L35-K43 VanDerWaalsContact O-CB 3.24Å; L35-K43 WeakPolarHBondContact O-CB 3.45Å; L35-K43 WeakPolarHBondContact O-CG 3.06Å; L35-K43 PolarHBondContact O-N 3.21Å; L35-C45 PolarHBondContact N-O 2.97Å; L35-F47 HydrophobicContact CD1-CE2 4.42Å |
| 36 | R | 92.5 | Very high | 91.4 | Very high | 117 Ų | 117 | 60 Ų | 60 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 155.1 | 179.9 | -62.1 | 173.4 | -171.8 | -87.1 | -1.5 | 111.1 | E16 I34 N41 | E16-R36 IonicContact OE2-CZ 3.29Å; E16-R36 IonicContact OE2-NE 3.91Å; E16-R36 IonicContact OE2-NH2 3.41Å; E16-R36 PolarHBondContact OE2-NH2 3.26Å; I34-R36 HydrophobicContact CG2-CG 4.05Å; I34-R36 PolarHBondContact O-N 2.9Å; R36-N41 CarbonylContact C-O 3.41Å; R36-N41 WeakPolarHBondContact CA-O 3.45Å |
| 37 | G | 89 | Confident | 91.5 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | trans | -78.8 | 175.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D39 G40 N41 | G37-D39 PolarHBondContact O-N 2.9Å; G37-G40 PolarHBondContact O-N 2.86Å; G37-G40 VanDerWaalsContact O-N 3.12Å; G37-N41 PolarHBondContact N-O 3Å | ||
| 38 | P | 87.9 | Confident | 91.7 | Very high | 134 Ų | 134 | 57.6 Ų | 57.6 | 87% | 0.87 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -28.1 | 171.6 | 27.8 | -33.8 | 0 | 0 | 0 | 111.6 | G40 | P38-G40 PolarHBondContact O-N 2.98Š|
| 39 | D | 88.4 | Confident | 91.6 | Very high | 126 Ų | 126 | 56.7 Ų | 56.7 | 67% | 0.674 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 11.6 | 178.4 | -23.8 | -91.8 | 0 | 0 | 0 | 113.1 | G37 N41 | G37-D39 PolarHBondContact O-N 2.9Å; D39-N41 PolarHBondContact O-N 3.12Å |
| 40 | G | 85 | Confident | 91.6 | Very high | 44 Ų | 44 | 55 Ų | 55 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 70.9 | -20.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G37 P38 | G37-G40 PolarHBondContact O-N 2.86Å; G37-G40 VanDerWaalsContact O-N 3.12Å; P38-G40 PolarHBondContact O-N 2.98Å |
| 41 | N | 88.8 | Confident | 91.6 | Very high | 115 Ų | 115 | 52.1 Ų | 52.1 | 62% | 0.615 | 29% | 0.291 | S | S | * | . | trans | -58.3 | 138.4 | 179.1 | -79.1 | -52.4 | 0 | 0 | 0 | 113 | R36 G37 D39 | R36-N41 CarbonylContact C-O 3.41Å; R36-N41 WeakPolarHBondContact CA-O 3.45Å; G37-N41 PolarHBondContact N-O 3Å; D39-N41 PolarHBondContact O-N 3.12Å | ||
| 42 | S | 90 | Very high | 91.6 | Very high | 10 Ų | 10 | 51 Ų | 51 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 135.4 | 173.9 | 177.2 | 0 | 0 | 0 | 0 | 111.5 | K12 I34 G44 | K12-S42 WeakPolarHBondContact O-CB 3.44Å; I34-S42 WeakPolarHBondContact CG2-OG 3.45Å; S42-G44 PolarHBondContact O-N 3.25Å; S42-G44 PolarHBondContact OG-N 2.91Å |
| 43 | K | 90.6 | Very high | 91.6 | Very high | 131 Ų | 131 | 52.7 Ų | 52.7 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 6.4 | 174.9 | -59.7 | -175.9 | 67.2 | 171.8 | 0 | 113.2 | L35 C45 | L35-K43 HydrophobicContact CD2-CD 4.23Å; L35-K43 HydrophobicContact CG-CD 4.18Å; L35-K43 VanDerWaalsContact O-CB 3.24Å; L35-K43 WeakPolarHBondContact O-CB 3.45Å; L35-K43 WeakPolarHBondContact O-CG 3.06Å; L35-K43 PolarHBondContact O-N 3.21Å; K43-C45 VanDerWaalsContact C-N 3.31Å |
| 44 | G | 89.9 | Confident | 91.6 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 9% | 0.093 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.4 | 25.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M9 L10 S42 | M9-G44 PolarHBondContact N-O 3.37Å; L10-G44 PolarHBondContact N-O 2.62Å; L10-G44 WeakPolarHBondContact O-CA 3.34Å; S42-G44 PolarHBondContact O-N 3.25Å; S42-G44 PolarHBondContact OG-N 2.91Å |
| 45 | C | 92.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 10% | 0.095 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 155.7 | 174.7 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | F6 V7 L35 K43 | F6-C45 HydrophobicContact CE2-CB 3.58Å; F6-C45 HydrophobicContact CZ-CB 3.56Å; V7-C45 CarbonylContact O-C 3.55Å; V7-C45 WeakPolarHBondContact O-CA 3.35Å; V7-C45 VanDerWaalsContact O-CB 3.3Å; V7-C45 WeakPolarHBondContact O-CB 3.24Å; L35-C45 PolarHBondContact N-O 2.97Å; K43-C45 VanDerWaalsContact C-N 3.31Å |
| 46 | A | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V7 L10 V19 T33 I34 | V7-A46 HydrophobicContact CB-CB 4.42Å; V7-A46 PolarHBondContact N-O 2.79Å; V7-A46 PolarHBondContact O-N 2.97Å; L10-A46 HydrophobicContact CD1-CB 3.52Å; V19-A46 HydrophobicContact CG1-CB 4.31Å; T33-A46 CarbonylContact O-C 3.54Å; T33-A46 VanDerWaalsContact O-CA 3.27Å; T33-A46 WeakPolarHBondContact O-CA 3.39Å; T33-A46 WeakPolarHBondContact O-CB 3.26Å; I34-A46 HydrophobicContact CG1-CB 3.81Å |
| 47 | F | 94.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 50.5 Ų | 50.5 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.5 | 161.9 | -64.3 | -82.2 | 0 | 0 | 0 | 110.4 | K4 L5 F6 C32 T33 L35 A81 | K4-F47 HydrophobicContact CG-CB 4.41Å; K4-F47 HydrophobicContact CG-CD1 4.43Å; L5-F47 VanDerWaalsContact O-CA 3.26Å; L5-F47 WeakPolarHBondContact O-CA 3.41Å; L5-F47 WeakPolarHBondContact O-CD1 3.48Å; F6-F47 HydrophobicContact CB-CD1 4.25Å; F6-F47 HydrophobicContact CB-CE1 4Å; F6-F47 HydrophobicContact CD2-CD1 4.37Å; F6-F47 AromaticContact CD2-CE1 3.75Å; F6-F47 HydrophobicContact CD2-CE1 3.75Å; F6-F47 AromaticContact CD2-CZ 3.9Å; F6-F47 HydrophobicContact CD2-CZ 3.9Å; F6-F47 HydrophobicContact CG-CE1 4.38Å; C32-F47 WeakPolarHBondContact CA-O 3.37Å; T33-F47 PolarHBondContact N-O 2.85Å; T33-F47 PolarHBondContact O-N 2.85Å; L35-F47 HydrophobicContact CD1-CE2 4.42Å; F47-A81 HydrophobicContact CD1-CB 3.78Å; F47-A81 HydrophobicContact CE1-CB 3.71Å |
| 48 | V | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 130.1 | 175.1 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | L5 V7 V19 F23 I29 E31 Y50 | L5-V48 PolarHBondContact N-O 2.93Å; L5-V48 PolarHBondContact O-N 3.03Å; V7-V48 HydrophobicContact CG2-CG2 3.91Å; V19-V48 HydrophobicContact CG1-CG2 3.77Å; F23-V48 HydrophobicContact CB-CG1 4.21Å; F23-V48 HydrophobicContact CD1-CB 4.14Å; F23-V48 HydrophobicContact CD1-CG1 3.93Å; F23-V48 HydrophobicContact CD1-CG2 4.06Å; F23-V48 HydrophobicContact CE1-CG2 4.36Å; F23-V48 HydrophobicContact CG-CG1 4.29Å; F23-V48 HydrophobicContact CG-CG2 4.24Å; I29-V48 HydrophobicContact CD1-CG1 4.08Å; I29-V48 HydrophobicContact CG1-CG1 3.96Å; I29-V48 HydrophobicContact CG2-CG1 3.97Å; E31-V48 CarbonylContact O-C 3.55Å; E31-V48 WeakPolarHBondContact O-CA 3.33Å; V48-Y50 HydrophobicContact CG1-CE2 4.22Å |
| 49 | K | 93.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 45.6 Ų | 45.6 | 27% | 0.27 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.8 | 178.5 | -172.8 | -161.1 | 175.2 | -141.3 | 0 | 109.4 | R3 K4 I29 E30 E31 | R3-K49 WeakPolarHBondContact O-CA 3.44Å; K4-K49 HydrophobicContact CG-CB 4.45Å; I29-K49 CarbonylContact C-O 3.57Å; I29-K49 WeakPolarHBondContact CA-O 3.38Å; E30-K49 HydrophobicContact CB-CD 4.04Å; E30-K49 HydrophobicContact CB-CG 4.49Å; E30-K49 PolarHBondContact N-O 3.19Å; E30-K49 IonicContact OE1-NZ 3.63Å; E30-K49 PolarHBondContact OE1-NZ 2.7Å; E30-K49 WeakPolarHBondContact OE2-CE 3.27Å; E30-K49 IonicContact OE2-NZ 3.7Å; E30-K49 PolarHBondContact OE2-NZ 2.9Å; E31-K49 HydrophobicContact CB-CB 3.75Å; E31-K49 HydrophobicContact CB-CD 4.12Å; E31-K49 PolarHBondContact N-O 3.48Å; E31-K49 PolarHBondContact O-N 2.72Å |
| 50 | Y | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 157.7 | 174.2 | -73.1 | -79.5 | 0 | 0 | 0 | 112.2 | R3 L5 F23 G27 S28 I29 V48 S52 E55 A56 A59 | R3-Y50 WeakPolarHBondContact CB-O 3.09Å; R3-Y50 PolarHBondContact O-N 2.98Å; L5-Y50 HydrophobicContact CD1-CD2 4.19Å; L5-Y50 HydrophobicContact CD1-CE2 3.74Å; F23-Y50 WeakPolarHBondContact CB-OH 3.18Å; F23-Y50 HydrophobicContact CD1-CE2 4.21Å; F23-Y50 WeakPolarHBondContact CD1-OH 3.12Å; F23-Y50 PolarHBondContact O-OH 2.75Å; G27-Y50 WeakPolarHBondContact O-CE1 3.42Å; S28-Y50 WeakPolarHBondContact O-CA 3.13Å; I29-Y50 HydrophobicContact CG1-CD1 4.2Å; I29-Y50 HydrophobicContact CG1-CE1 3.87Å; V48-Y50 HydrophobicContact CG1-CE2 4.22Å; Y50-S52 VanDerWaalsContact C-N 3.29Å; Y50-S52 WeakPolarHBondContact CB-O 3.05Å; Y50-S52 PolarHBondContact O-N 3.47Å; Y50-E55 HydrophobicContact CD1-CB 3.73Å; Y50-E55 HydrophobicContact CE1-CB 4.35Å; Y50-E55 HydrophobicContact CG-CB 3.83Å; Y50-A56 HydrophobicContact CD2-CB 3.78Å; Y50-A56 HydrophobicContact CG-CB 4.46Å; Y50-A59 HydrophobicContact CE2-CB 3.6Å; Y50-A59 WeakPolarHBondContact OH-CB 3.36Å |
| 51 | S | 93.6 | Very high | 92.8 | Very high | 45 Ų | 45 | 42.5 Ų | 42.5 | 32% | 0.315 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -58.7 | -37.8 | 168.8 | 30.1 | 0 | 0 | 0 | 0 | 113.3 | R3 S28 E55 | R3-S51 WeakPolarHBondContact CD-O 3.29Å; R3-S51 PolarHBondContact NH1-O 2.92Å; S28-S51 WeakPolarHBondContact CB-OG 3.15Å; S28-S51 PolarHBondContact O-N 3.06Å; S28-S51 PolarHBondContact O-OG 3.46Å; S51-E55 PolarHBondContact N-OE2 3.26Å; S51-E55 PolarHBondContact OG-OE1 3.45Å; S51-E55 PolarHBondContact OG-OE2 2.78Å |
| 52 | S | 92.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 38.9 Ų | 38.9 | 38% | 0.378 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -125.3 | 156.5 | -174.4 | -171.6 | 0 | 0 | 0 | 0 | 113 | Y50 E55 A56 | Y50-S52 VanDerWaalsContact C-N 3.29Å; Y50-S52 WeakPolarHBondContact CB-O 3.05Å; Y50-S52 PolarHBondContact O-N 3.47Å; S52-E55 WeakPolarHBondContact CA-OE2 3.5Å; S52-E55 WeakPolarHBondContact CB-OE2 3.49Å; S52-E55 PolarHBondContact N-OE2 2.9Å; S52-A56 PolarHBondContact O-N 2.87Å |
| 53 | H | 92.2 | Very high | 92.9 | Very high | 67 Ų | 67 | 38.9 Ų | 38.9 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.1 | -34.8 | 175.3 | -179.1 | 70.8 | 0 | 0 | 0 | 112.1 | D2 R3 A56 Q57 F80 | D2-H53 PolarHBondContact O-ND1 3.09Å; R3-H53 HydrophobicContact CG-CB 4.42Å; H53-A56 WeakPolarHBondContact O-CB 3.42Å; H53-A56 PolarHBondContact O-N 3.46Å; H53-Q57 PolarHBondContact CD2-OE1 3.12Å; H53-Q57 VanDerWaalsContact NE2-CD 3.29Å; H53-Q57 PolarHBondContact NE2-NE2 3.24Å; H53-Q57 PolarHBondContact O-N 3.49Å; H53-F80 AromaticContact CE1-CE1 3.71Å; H53-F80 AromaticContact CE1-CZ 3.31Å; H53-F80 WeakPolarHBondContact CE1-CZ 3.44Å; H53-F80 AromaticContact ND1-CE1 3.78Å; H53-F80 AromaticContact ND1-CZ 3.81Å |
| 54 | A | 93.7 | Very high | 92.8 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 50% | 0.504 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.5 | -40.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A56 Q57 A58 | A54-A56 VanDerWaalsContact C-N 3.32Å; A54-A56 PolarHBondContact O-N 2.97Å; A54-Q57 PolarHBondContact O-N 3.47Å; A54-A58 WeakPolarHBondContact O-CB 3.34Å; A54-A58 PolarHBondContact O-N 3.21Å |
| 55 | E | 94.6 | Very high | 92.6 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -45.9 | 171.9 | -63 | 172.8 | 121.2 | 0 | 0 | 110.8 | G27 S28 Y50 S51 S52 Q57 A58 A59 | G27-E55 WeakPolarHBondContact CA-OE1 3.48Å; S28-E55 PolarHBondContact N-OE1 2.92Å; Y50-E55 HydrophobicContact CD1-CB 3.73Å; Y50-E55 HydrophobicContact CE1-CB 4.35Å; Y50-E55 HydrophobicContact CG-CB 3.83Å; S51-E55 PolarHBondContact N-OE2 3.26Å; S51-E55 PolarHBondContact OG-OE1 3.45Å; S51-E55 PolarHBondContact OG-OE2 2.78Å; S52-E55 WeakPolarHBondContact CA-OE2 3.5Å; S52-E55 WeakPolarHBondContact CB-OE2 3.49Å; S52-E55 PolarHBondContact N-OE2 2.9Å; E55-Q57 PolarHBondContact O-N 2.97Å; E55-A58 PolarHBondContact O-N 3.11Å; E55-A59 WeakPolarHBondContact O-CB 3.28Å; E55-A59 PolarHBondContact O-N 3.05Å |
| 56 | A | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | L5 Y50 S52 H53 A54 I60 F80 | L5-A56 HydrophobicContact CD1-CB 4.4Å; L5-A56 HydrophobicContact CD2-CB 4Å; L5-A56 HydrophobicContact CG-CB 4.21Å; Y50-A56 HydrophobicContact CD2-CB 3.78Å; Y50-A56 HydrophobicContact CG-CB 4.46Å; S52-A56 PolarHBondContact O-N 2.87Å; H53-A56 WeakPolarHBondContact O-CB 3.42Å; H53-A56 PolarHBondContact O-N 3.46Å; A54-A56 VanDerWaalsContact C-N 3.32Å; A54-A56 PolarHBondContact O-N 2.97Å; A56-I60 WeakPolarHBondContact O-CG1 3.42Å; A56-I60 PolarHBondContact O-N 3.35Å; A56-I60 VanDerWaalsContact O-N 3.11Å; A56-F80 HydrophobicContact CB-CE1 4.04Å |
| 57 | Q | 93.4 | Very high | 90.1 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 174 | -73.8 | -174.3 | -56.9 | 0 | 0 | 112.3 | H53 A54 E55 A59 I60 G61 F80 | H53-Q57 PolarHBondContact CD2-OE1 3.12Å; H53-Q57 VanDerWaalsContact NE2-CD 3.29Å; H53-Q57 PolarHBondContact NE2-NE2 3.24Å; H53-Q57 PolarHBondContact O-N 3.49Å; A54-Q57 PolarHBondContact O-N 3.47Å; E55-Q57 PolarHBondContact O-N 2.97Å; Q57-A59 VanDerWaalsContact C-N 3.33Å; Q57-A59 PolarHBondContact O-N 3.23Å; Q57-I60 PolarHBondContact O-N 3.25Å; Q57-G61 PolarHBondContact O-N 3.47Å; Q57-F80 HydrophobicContact CG-CE2 4.42Å; Q57-F80 HydrophobicContact CG-CZ 3.78Å |
| 58 | A | 93.3 | Very high | 88.5 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A54 E55 I60 G61 A62 | A54-A58 WeakPolarHBondContact O-CB 3.34Å; A54-A58 PolarHBondContact O-N 3.21Å; E55-A58 PolarHBondContact O-N 3.11Å; A58-I60 PolarHBondContact O-N 3.28Å; A58-G61 PolarHBondContact O-N 2.99Å; A58-A62 WeakPolarHBondContact O-CB 3.25Å; A58-A62 PolarHBondContact O-N 3.48Å |
| 59 | A | 93.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L5 F23 F26 Y50 E55 Q57 L63 | L5-A59 HydrophobicContact CD1-CB 4Å; F23-A59 HydrophobicContact CD1-CB 4.35Å; F26-A59 HydrophobicContact CB-CB 3.94Å; F26-A59 HydrophobicContact CG-CB 4.26Å; Y50-A59 HydrophobicContact CE2-CB 3.6Å; Y50-A59 WeakPolarHBondContact OH-CB 3.36Å; E55-A59 WeakPolarHBondContact O-CB 3.28Å; E55-A59 PolarHBondContact O-N 3.05Å; Q57-A59 VanDerWaalsContact C-N 3.33Å; Q57-A59 PolarHBondContact O-N 3.23Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.48Å; A59-L63 PolarHBondContact O-N 2.94Å |
| 60 | I | 93.5 | Very high | 85.4 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 17% | 0.174 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.7 | -52.4 | 171.1 | -68 | 162.4 | 0 | 0 | 0 | 109.7 | L5 A56 Q57 A58 A62 L63 H64 V78 F80 | L5-I60 HydrophobicContact CD1-CG1 4.19Å; L5-I60 HydrophobicContact CD2-CD1 3.6Å; L5-I60 HydrophobicContact CD2-CG1 3.74Å; A56-I60 WeakPolarHBondContact O-CG1 3.42Å; A56-I60 PolarHBondContact O-N 3.35Å; A56-I60 VanDerWaalsContact O-N 3.11Å; Q57-I60 PolarHBondContact O-N 3.25Å; A58-I60 PolarHBondContact O-N 3.28Å; I60-A62 VanDerWaalsContact C-N 3.28Å; I60-A62 PolarHBondContact O-N 2.94Å; I60-L63 PolarHBondContact O-N 3.33Å; I60-H64 HydrophobicContact CG2-CB 4.31Å; I60-H64 WeakPolarHBondContact O-CB 3.09Å; I60-H64 PolarHBondContact O-N 3.49Å; I60-V78 HydrophobicContact CG1-CG1 4.01Å; I60-F80 HydrophobicContact CD1-CD1 4.19Å; I60-F80 HydrophobicContact CD1-CD2 3.67Å; I60-F80 HydrophobicContact CD1-CE1 3.97Å; I60-F80 HydrophobicContact CD1-CE2 3.43Å; I60-F80 VanDerWaalsContact CD1-CE2 3.43Å; I60-F80 HydrophobicContact CD1-CG 4.04Å; I60-F80 HydrophobicContact CD1-CZ 3.58Å |
| 61 | G | 91.2 | Very high | 83.8 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 72% | 0.722 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.9 | -31.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q57 A58 | Q57-G61 PolarHBondContact O-N 3.47Å; A58-G61 PolarHBondContact O-N 2.99Å |
| 62 | A | 89.8 | Confident | 82.3 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -94.2 | -26.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | F26 A58 I60 S66 | F26-A62 HydrophobicContact CD1-CB 4.01Å; F26-A62 HydrophobicContact CE1-CB 3.25Å; F26-A62 HydrophobicContact CZ-CB 3.65Å; A58-A62 WeakPolarHBondContact O-CB 3.25Å; A58-A62 PolarHBondContact O-N 3.48Å; I60-A62 VanDerWaalsContact C-N 3.28Å; I60-A62 PolarHBondContact O-N 2.94Å; A62-S66 WeakPolarHBondContact O-CB 3.3Å; A62-S66 PolarHBondContact O-OG 2.89Å |
| 63 | L | 89.8 | Confident | 80.9 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -111.6 | -18.3 | -174.2 | -61.3 | 176.6 | 0 | 0 | 0 | 114.4 | L22 F23 F26 A59 I60 G65 V78 | L22-L63 HydrophobicContact CD1-CD2 3.99Å; L22-L63 HydrophobicContact CG-CD1 4.24Å; L22-L63 HydrophobicContact CG-CD2 4.23Å; F23-L63 HydrophobicContact CD1-CD1 4.05Å; F23-L63 HydrophobicContact CD2-CD1 3.72Å; F23-L63 HydrophobicContact CE1-CD1 3.84Å; F23-L63 HydrophobicContact CE2-CD1 3.53Å; F23-L63 HydrophobicContact CG-CD1 3.97Å; F23-L63 HydrophobicContact CZ-CD1 3.57Å; F26-L63 HydrophobicContact CD2-CD1 3.97Å; F26-L63 HydrophobicContact CD2-CG 4.37Å; F26-L63 HydrophobicContact CE2-CD1 3.69Å; F26-L63 HydrophobicContact CE2-CD2 3.84Å; F26-L63 HydrophobicContact CE2-CG 3.74Å; F26-L63 HydrophobicContact CZ-CD2 4.1Å; F26-L63 HydrophobicContact CZ-CG 4.12Å; A59-L63 VanDerWaalsContact O-CB 3.28Å; A59-L63 WeakPolarHBondContact O-CB 3.48Å; A59-L63 PolarHBondContact O-N 2.94Å; I60-L63 PolarHBondContact O-N 3.33Å; L63-G65 PolarHBondContact O-N 3.09Å; L63-V78 HydrophobicContact CB-CG2 3.75Å |
| 64 | H | 90 | Very high | 80.2 | Confident | 99 Ų | 99 | 58 Ų | 58 | 46% | 0.458 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 121.6 | 175.1 | -174.7 | 99.5 | 0 | 0 | 0 | 111 | I60 S66 V78 | I60-H64 HydrophobicContact CG2-CB 4.31Å; I60-H64 WeakPolarHBondContact O-CB 3.09Å; I60-H64 PolarHBondContact O-N 3.49Å; H64-S66 PolarHBondContact O-N 3.14Å; H64-V78 HydrophobicContact CB-CB 4.28Å; H64-V78 PolarHBondContact ND1-O 2.88Å |
| 65 | G | 84 | Confident | 79.8 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | -16.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L63 S75 L76 | L63-G65 PolarHBondContact O-N 3.09Å; G65-S75 VanDerWaalsContact O-CB 3.25Å; G65-S75 WeakPolarHBondContact O-CB 3.47Å; G65-S75 PolarHBondContact O-OG 2.9Å; G65-S75 VanDerWaalsContact O-OG 3.09Å; G65-L76 PolarHBondContact N-O 3.47Å |
| 66 | S | 72.8 | Confident | 79.6 | Confident | 74 Ų | 74 | 55.4 Ų | 55.4 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -57.6 | -171 | 174.4 | 0 | 0 | 0 | 0 | 114.5 | A62 H64 | A62-S66 WeakPolarHBondContact O-CB 3.3Å; A62-S66 PolarHBondContact O-OG 2.89Å; H64-S66 PolarHBondContact O-N 3.14Å |
| 67 | Q | 61.3 | Low | 79.5 | Confident | 118 Ų | 118 | 57.4 Ų | 57.4 | 55% | 0.551 | 39% | 0.385 | S | S | * | . | trans | -126.2 | 137.6 | -175.7 | -70 | -130 | 67.5 | 0 | 0 | 112.6 | S75 L76 | Q67-S75 WeakPolarHBondContact O-CA 3.46Å; Q67-L76 PolarHBondContact O-N 3.1Å | ||
| 68 | T | 61.8 | Low | 79.5 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | trans | -90.7 | 109.7 | 159.8 | -63.1 | 0 | 0 | 0 | 0 | 107.3 | A72 S75 | T68-A72 HydrophobicContact CG2-CB 4.34Å; T68-A72 VanDerWaalsContact CG2-O 3.29Å; T68-A72 WeakPolarHBondContact CG2-O 3.43Å; T68-S75 WeakPolarHBondContact OG1-CA 3.25Å; T68-S75 PolarHBondContact OG1-N 3.01Å; T68-S75 VanDerWaalsContact OG1-N 3.12Å; T68-S75 PolarHBondContact OG1-OG 3.5Å | ||
| 69 | M | 64.4 | Low | 79.5 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 17% | 0.167 | 36% | 0.362 | C | S | . | . | trans | -61.9 | 151.2 | -179.4 | -71.3 | -67.9 | -81.2 | 0 | 0 | 111.3 | L22 G71 A72 L76 | L22-M69 HydrophobicContact CD2-SD 4.25Å; M69-G71 PolarHBondContact O-N 3.25Å; M69-G71 VanDerWaalsContact O-N 3.14Å; M69-A72 HydrophobicContact CB-CB 4.05Å; M69-A72 VanDerWaalsContact O-CB 3.3Å; M69-A72 WeakPolarHBondContact O-CB 3.18Å; M69-A72 PolarHBondContact O-N 3.24Å; M69-L76 HydrophobicContact CG-CD1 4.11Å; M69-L76 HydrophobicContact CG-CD2 4.15Å; M69-L76 HydrophobicContact CG-CG 4.28Å | ||
| 70 | P | 59 | Low | 79.5 | Confident | 115 Ų | 115 | 58.1 Ų | 58.1 | 75% | 0.747 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 121.6 | 173.9 | -27.6 | 35.9 | 0 | 0 | 0 | 111.9 | N11 A72 | N11-P70 PolarHBondContact ND2-O 3.05Å; P70-A72 VanDerWaalsContact C-N 3.31Å; P70-A72 PolarHBondContact O-N 2.8Å |
| 71 | G | 61.6 | Low | 79.3 | Confident | 64 Ų | 64 | 57.3 Ų | 57.3 | 66% | 0.66 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 7.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | M69 | M69-G71 PolarHBondContact O-N 3.25Å; M69-G71 VanDerWaalsContact O-N 3.14Å |
| 72 | A | 61.2 | Low | 78.9 | Confident | 17 Ų | 17 | 56.7 Ų | 56.7 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | trans | -86.5 | 146.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | N11 T68 M69 P70 | N11-A72 HydrophobicContact CB-CB 4.23Å; T68-A72 HydrophobicContact CG2-CB 4.34Å; T68-A72 VanDerWaalsContact CG2-O 3.29Å; T68-A72 WeakPolarHBondContact CG2-O 3.43Å; M69-A72 HydrophobicContact CB-CB 4.05Å; M69-A72 VanDerWaalsContact O-CB 3.3Å; M69-A72 WeakPolarHBondContact O-CB 3.18Å; M69-A72 PolarHBondContact O-N 3.24Å; P70-A72 VanDerWaalsContact C-N 3.31Å; P70-A72 PolarHBondContact O-N 2.8Å | ||
| 73 | S | 63.4 | Low | 78.3 | Confident | 124 Ų | 124 | 57 Ų | 57 | 87% | 0.867 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -88.7 | 0.2 | -178.2 | -47.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 74 | S | 78.4 | Confident | 77.2 | Confident | 56 Ų | 56 | 62.5 Ų | 62.5 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -163.4 | 160.6 | -175.5 | -63.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 75 | S | 85.8 | Confident | 76 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | trans | -61.5 | 150.1 | 172 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | M9 G65 Q67 T68 V77 | M9-S75 WeakPolarHBondContact CB-O 3.46Å; G65-S75 VanDerWaalsContact O-CB 3.25Å; G65-S75 WeakPolarHBondContact O-CB 3.47Å; G65-S75 PolarHBondContact O-OG 2.9Å; G65-S75 VanDerWaalsContact O-OG 3.09Å; Q67-S75 WeakPolarHBondContact O-CA 3.46Å; T68-S75 WeakPolarHBondContact OG1-CA 3.25Å; T68-S75 PolarHBondContact OG1-N 3.01Å; T68-S75 VanDerWaalsContact OG1-N 3.12Å; T68-S75 PolarHBondContact OG1-OG 3.5Å; S75-V77 PolarHBondContact O-N 3.36Å | ||
| 76 | L | 89.7 | Confident | 75.3 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | trans | -60.5 | 134 | 178.2 | -64.2 | 177.4 | 0 | 0 | 0 | 112.5 | L10 L22 G65 Q67 M69 V78 | L10-L76 HydrophobicContact CD2-CD2 3.68Å; L10-L76 HydrophobicContact CG-CD2 4.24Å; L22-L76 HydrophobicContact CD2-CD1 3.61Å; G65-L76 PolarHBondContact N-O 3.47Å; Q67-L76 PolarHBondContact O-N 3.1Å; M69-L76 HydrophobicContact CG-CD1 4.11Å; M69-L76 HydrophobicContact CG-CD2 4.15Å; M69-L76 HydrophobicContact CG-CG 4.28Å; L76-V78 HydrophobicContact CB-CG2 4.38Å | ||
| 77 | V | 91.4 | Very high | 75.2 | Confident | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.255 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 86.5 | 179.5 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | G8 M9 S75 | G8-V77 PolarHBondContact N-O 2.59Å; G8-V77 PolarHBondContact O-N 3.32Å; M9-V77 HydrophobicContact CB-CG2 4.48Å; M9-V77 HydrophobicContact CG-CB 4.49Å; M9-V77 HydrophobicContact CG-CG2 3.72Å; S75-V77 PolarHBondContact O-N 3.36Å |
| 78 | V | 93.3 | Very high | 75.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.4 | 179.4 | -169.7 | 0 | 0 | 0 | 0 | 110.1 | L5 F6 V7 F23 I60 L63 H64 L76 | L5-V78 HydrophobicContact CD1-CG1 3.81Å; F6-V78 WeakPolarHBondContact O-CA 3.31Å; V7-V78 HydrophobicContact CG1-CG2 4.38Å; F23-V78 HydrophobicContact CE1-CG1 3.92Å; F23-V78 HydrophobicContact CE1-CG2 4.41Å; F23-V78 HydrophobicContact CZ-CG1 4.14Å; F23-V78 HydrophobicContact CZ-CG2 3.81Å; I60-V78 HydrophobicContact CG1-CG1 4.01Å; L63-V78 HydrophobicContact CB-CG2 3.75Å; H64-V78 HydrophobicContact CB-CB 4.28Å; H64-V78 PolarHBondContact ND1-O 2.88Å; L76-V78 HydrophobicContact CB-CG2 4.38Å |
| 79 | K | 93.3 | Very high | 76 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 166.2 | 178.7 | 59.8 | 172.7 | 69.6 | -178.3 | 0 | 110.4 | L5 F6 A81 | L5-K79 CarbonylContact C-O 3.55Å; L5-K79 WeakPolarHBondContact CA-O 3.4Å; L5-K79 WeakPolarHBondContact CB-O 3.48Å; F6-K79 HydrophobicContact CB-CG 4.09Å; F6-K79 HydrophobicContact CD1-CD 4.23Å; F6-K79 HydrophobicContact CD1-CG 4.03Å; F6-K79 PolarHBondContact N-O 3.45Å; F6-K79 PolarHBondContact O-N 2.79Å; K79-A81 PolarHBondContact O-N 3.07Å |
| 80 | F | 93.4 | Very high | 76.6 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 31% | 0.311 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 138.3 | 163.8 | -68.6 | -67.2 | 0 | 0 | 0 | 110.4 | D2 L5 H53 A56 Q57 I60 | D2-F80 HydrophobicContact CB-CD1 4.15Å; D2-F80 HydrophobicContact CB-CE1 4.25Å; D2-F80 VanDerWaalsContact O-CE1 3.25Å; D2-F80 WeakPolarHBondContact O-CE1 3.33Å; L5-F80 HydrophobicContact CD2-CD1 3.69Å; L5-F80 HydrophobicContact CD2-CE1 3.89Å; L5-F80 HydrophobicContact CD2-CG 4.35Å; H53-F80 AromaticContact CE1-CE1 3.71Å; H53-F80 AromaticContact CE1-CZ 3.31Å; H53-F80 WeakPolarHBondContact CE1-CZ 3.44Å; H53-F80 AromaticContact ND1-CE1 3.78Å; H53-F80 AromaticContact ND1-CZ 3.81Å; A56-F80 HydrophobicContact CB-CE1 4.04Å; Q57-F80 HydrophobicContact CG-CE2 4.42Å; Q57-F80 HydrophobicContact CG-CZ 3.78Å; I60-F80 HydrophobicContact CD1-CD1 4.19Å; I60-F80 HydrophobicContact CD1-CD2 3.67Å; I60-F80 HydrophobicContact CD1-CE1 3.97Å; I60-F80 HydrophobicContact CD1-CE2 3.43Å; I60-F80 VanDerWaalsContact CD1-CE2 3.43Å; I60-F80 HydrophobicContact CD1-CG 4.04Å; I60-F80 HydrophobicContact CD1-CZ 3.58Å |
| 81 | A | 90.3 | Very high | 77.3 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 13% | 0.132 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 131.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | K4 F6 F47 K79 T83 | K4-A81 HydrophobicContact CB-CB 4.39Å; K4-A81 HydrophobicContact CG-CB 4.19Å; K4-A81 WeakPolarHBondContact O-CB 3.3Å; K4-A81 PolarHBondContact O-N 2.86Å; F6-A81 HydrophobicContact CB-CB 4.2Å; F47-A81 HydrophobicContact CD1-CB 3.78Å; F47-A81 HydrophobicContact CE1-CB 3.71Å; K79-A81 PolarHBondContact O-N 3.07Å; A81-T83 PolarHBondContact O-N 2.97Å |
| 82 | D | 82.7 | Confident | 77.8 | Confident | 58 Ų | 58 | 79.6 Ų | 79.6 | 31% | 0.31 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -50.4 | 125 | 166.6 | -54.2 | -116.1 | 0 | 0 | 0 | 109.3 | R90 | D82-R90 IonicContact OD1-CZ 2.7Å; D82-R90 VanDerWaalsContact OD1-CZ 3.29Å; D82-R90 IonicContact OD1-NE 3.58Å; D82-R90 PolarHBondContact OD1-NE 2.79Å; D82-R90 IonicContact OD1-NH1 2.69Å; D82-R90 IonicContact OD1-NH2 2.69Å |
| 83 | T | 75.9 | Confident | 78.3 | Confident | 46 Ų | 46 | 85.6 Ų | 85.6 | 28% | 0.282 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 153.9 | 175.6 | 65.5 | 0 | 0 | 0 | 0 | 110.3 | A81 K85 E86 R87 | A81-T83 PolarHBondContact O-N 2.97Å; T83-K85 PolarHBondContact O-N 3.48Å; T83-K85 VanDerWaalsContact O-N 3.13Å; T83-E86 PolarHBondContact O-N 2.74Å; T83-E86 WeakPolarHBondContact OG1-CB 3.41Å; T83-E86 PolarHBondContact OG1-N 2.78Å; T83-R87 PolarHBondContact O-N 3.15Å |
| 84 | D | 67.9 | Low | 78.7 | Confident | 125 Ų | 125 | 87 Ų | 87 | 67% | 0.668 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -55.3 | -33.1 | 175.7 | -99.1 | -78.9 | 0 | 0 | 0 | 112.6 | T88 | D84-T88 VanDerWaalsContact O-CB 3.29Å; D84-T88 WeakPolarHBondContact O-CB 3.11Å; D84-T88 PolarHBondContact O-N 3.47Å; D84-T88 PolarHBondContact O-OG1 2.69Å |
| 85 | K | 63.6 | Low | 78 | Confident | 101 Ų | 101 | 91.4 Ų | 91.4 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.6 | -54.2 | 171.7 | -59.7 | 168.7 | 180 | 170.7 | 0 | 110.7 | E1 T83 T88 I89 | E1-K85 IonicContact OE1-NZ 3.41Å; E1-K85 PolarHBondContact OE1-NZ 3.27Å; T83-K85 PolarHBondContact O-N 3.48Å; T83-K85 VanDerWaalsContact O-N 3.13Å; K85-T88 PolarHBondContact O-N 3.39Å; K85-I89 WeakPolarHBondContact O-CG1 3.43Å; K85-I89 PolarHBondContact O-N 3.22Å |
| 86 | E | 69.4 | Low | 76.8 | Confident | 78 Ų | 78 | 92.7 Ų | 92.7 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.1 | -39.2 | -176.4 | -161.9 | 179.8 | 150.5 | 0 | 0 | 112.6 | T83 T88 I89 R90 | T83-E86 PolarHBondContact O-N 2.74Å; T83-E86 WeakPolarHBondContact OG1-CB 3.41Å; T83-E86 PolarHBondContact OG1-N 2.78Å; E86-T88 VanDerWaalsContact C-N 3.29Å; E86-T88 PolarHBondContact O-N 2.8Å; E86-I89 PolarHBondContact O-N 3.2Å; E86-R90 WeakPolarHBondContact O-CB 3.29Å; E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 2.88Å; E86-R90 IonicContact OE1-CZ 2.9Å; E86-R90 IonicContact OE1-NE 2.97Å; E86-R90 PolarHBondContact OE1-NE 2.85Å; E86-R90 IonicContact OE1-NH2 2.91Å; E86-R90 PolarHBondContact OE1-NH2 3.45Å |
| 87 | R | 72.1 | Confident | 75.2 | Confident | 126 Ų | 126 | 95.8 Ų | 95.8 | 48% | 0.475 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 171.1 | 180 | 179.4 | -68.1 | -162.3 | -1.7 | 111.7 | T83 R91 | T83-R87 PolarHBondContact O-N 3.15Å; R87-R91 WeakPolarHBondContact O-CB 3.47Å; R87-R91 PolarHBondContact O-N 2.83Å |
| 88 | T | 68.1 | Low | 73.2 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | D84 K85 E86 R91 M92 | D84-T88 VanDerWaalsContact O-CB 3.29Å; D84-T88 WeakPolarHBondContact O-CB 3.11Å; D84-T88 PolarHBondContact O-N 3.47Å; D84-T88 PolarHBondContact O-OG1 2.69Å; K85-T88 PolarHBondContact O-N 3.39Å; E86-T88 VanDerWaalsContact C-N 3.29Å; E86-T88 PolarHBondContact O-N 2.8Å; T88-R91 PolarHBondContact O-N 2.85Å; T88-M92 WeakPolarHBondContact O-CB 3.13Å; T88-M92 PolarHBondContact O-N 3.28Å |
| 89 | I | 72.4 | Confident | 71.1 | Confident | 106 Ų | 106 | 109.8 Ų | 109.8 | 54% | 0.544 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 175.6 | -67.2 | 163 | 0 | 0 | 0 | 110.8 | K85 E86 R91 M92 Q93 | K85-I89 WeakPolarHBondContact O-CG1 3.43Å; K85-I89 PolarHBondContact O-N 3.22Å; E86-I89 PolarHBondContact O-N 3.2Å; I89-R91 VanDerWaalsContact C-N 3.33Å; I89-R91 PolarHBondContact O-N 3Å; I89-M92 PolarHBondContact O-N 3.47Å; I89-Q93 WeakPolarHBondContact O-CB 3.49Å; I89-Q93 PolarHBondContact O-N 3.15Å |
| 90 | R | 75.3 | Confident | 69.3 | Low | 130 Ų | 130 | 108.6 Ų | 108.6 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.1 | -40.5 | 177.3 | -70.3 | 177.2 | -173.3 | -137.5 | 9 | 112.1 | D82 E86 Q93 Q94 | D82-R90 IonicContact OD1-CZ 2.7Å; D82-R90 VanDerWaalsContact OD1-CZ 3.29Å; D82-R90 IonicContact OD1-NE 3.58Å; D82-R90 PolarHBondContact OD1-NE 2.79Å; D82-R90 IonicContact OD1-NH1 2.69Å; D82-R90 IonicContact OD1-NH2 2.69Å; E86-R90 WeakPolarHBondContact O-CB 3.29Å; E86-R90 WeakPolarHBondContact O-CG 3.41Å; E86-R90 PolarHBondContact O-N 2.88Å; E86-R90 IonicContact OE1-CZ 2.9Å; E86-R90 IonicContact OE1-NE 2.97Å; E86-R90 PolarHBondContact OE1-NE 2.85Å; E86-R90 IonicContact OE1-NH2 2.91Å; E86-R90 PolarHBondContact OE1-NH2 3.45Å; R90-Q93 PolarHBondContact O-N 3.15Å; R90-Q94 WeakPolarHBondContact O-CB 3.46Å; R90-Q94 WeakPolarHBondContact O-CG 3.34Å; R90-Q94 PolarHBondContact O-N 2.77Å |
| 91 | R | 75.2 | Confident | 67.1 | Low | 198 Ų | 198 | 112.7 Ų | 112.7 | 75% | 0.747 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.8 | -43.7 | 175.4 | -172.4 | -179.8 | -176.1 | -174.2 | 0.9 | 112.1 | R87 T88 I89 M95 | R87-R91 WeakPolarHBondContact O-CB 3.47Å; R87-R91 PolarHBondContact O-N 2.83Å; T88-R91 PolarHBondContact O-N 2.85Å; I89-R91 VanDerWaalsContact C-N 3.33Å; I89-R91 PolarHBondContact O-N 3Å; R91-M95 PolarHBondContact O-N 2.94Å; R91-M95 VanDerWaalsContact O-N 3.11Å |
| 92 | M | 71.7 | Confident | 64.7 | Low | 145 Ų | 145 | 121 Ų | 121 | 71% | 0.714 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.8 | -41.9 | 176.5 | -173.7 | 177.7 | -177.8 | 0 | 0 | 111.4 | T88 I89 M95 A96 | T88-M92 WeakPolarHBondContact O-CB 3.13Å; T88-M92 PolarHBondContact O-N 3.28Å; I89-M92 PolarHBondContact O-N 3.47Å; M92-M95 PolarHBondContact O-N 3.44Å; M92-A96 PolarHBondContact O-N 3.02Å |
| 93 | Q | 71 | Confident | 62.7 | Low | 142 Ų | 142 | 124.2 Ų | 124.2 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.7 | -34.4 | -179.6 | -164.5 | 161.5 | 33.5 | 0 | 0 | 112.8 | I89 R90 M95 A96 G97 | I89-Q93 WeakPolarHBondContact O-CB 3.49Å; I89-Q93 PolarHBondContact O-N 3.15Å; R90-Q93 PolarHBondContact O-N 3.15Å; Q93-M95 VanDerWaalsContact C-N 3.33Å; Q93-A96 PolarHBondContact O-N 2.9Å; Q93-G97 PolarHBondContact O-N 2.83Å |
| 94 | Q | 71.6 | Confident | 61.8 | Low | 153 Ų | 153 | 126.9 Ų | 126.9 | 72% | 0.715 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.3 | -36.7 | 169.3 | -77.5 | 179.3 | -24.9 | 0 | 0 | 112.4 | R90 G97 | R90-Q94 WeakPolarHBondContact O-CB 3.46Å; R90-Q94 WeakPolarHBondContact O-CG 3.34Å; R90-Q94 PolarHBondContact O-N 2.77Å; Q94-G97 PolarHBondContact O-N 3.05Å |
| 95 | M | 64.9 | Low | 60.4 | Low | 150 Ų | 150 | 130 Ų | 130 | 74% | 0.739 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.5 | -39.3 | 176.1 | -165.4 | 169.2 | -176.2 | 0 | 0 | 112.1 | R91 M92 Q93 G97 Q98 | R91-M95 PolarHBondContact O-N 2.94Å; R91-M95 VanDerWaalsContact O-N 3.11Å; M92-M95 PolarHBondContact O-N 3.44Å; Q93-M95 VanDerWaalsContact C-N 3.33Å; M95-G97 VanDerWaalsContact C-N 3.32Å; M95-G97 PolarHBondContact O-N 3.02Å; M95-Q98 PolarHBondContact O-N 2.8Å |
| 96 | A | 59.3 | Low | 59.6 | Low | 70 Ų | 70 | 129.4 Ų | 129.4 | 58% | 0.579 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -63 | -37.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M92 Q93 Q98 M99 | M92-A96 PolarHBondContact O-N 3.02Å; Q93-A96 PolarHBondContact O-N 2.9Å; A96-Q98 PolarHBondContact O-N 2.8Å; A96-Q98 VanDerWaalsContact O-N 3.15Å; A96-M99 PolarHBondContact O-N 2.97Å |
| 97 | G | 55.6 | Low | 58.1 | Low | 67 Ų | 67 | 133.6 Ų | 133.6 | 69% | 0.691 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -10.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q93 Q94 M95 | Q93-G97 PolarHBondContact O-N 2.83Å; Q94-G97 PolarHBondContact O-N 3.05Å; M95-G97 VanDerWaalsContact C-N 3.32Å; M95-G97 PolarHBondContact O-N 3.02Å |
| 98 | Q | 50.2 | Low | 56.7 | Low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -15.9 | 179.1 | -160.6 | 168.3 | 29.6 | 0 | 0 | 113.5 | M95 A96 G100 | M95-Q98 PolarHBondContact O-N 2.8Å; A96-Q98 PolarHBondContact O-N 2.8Å; A96-Q98 VanDerWaalsContact O-N 3.15Å; Q98-G100 PolarHBondContact O-N 2.87Å |
| 99 | M | 49.9 | Very low | 55.1 | Low | 166 Ų | 166 | 142.1 Ų | 142.1 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -95.4 | 55.7 | 179.8 | -79.3 | -89.6 | -77.2 | 0 | 0 | 112.1 | A96 I101 | A96-M99 PolarHBondContact O-N 2.97Å; M99-I101 PolarHBondContact O-N 2.63Å | ||
| 100 | G | 55.8 | Low | 53.6 | Low | 74 Ų | 74 | 141 Ų | 141 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | trans | -80.6 | 70.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q98 | Q98-G100 PolarHBondContact O-N 2.87Š| ||
| 101 | I | 47 | Very low | 52.1 | Low | 158 Ų | 158 | 139.5 Ų | 139.5 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | -129.8 | 136.9 | 172.9 | -60 | -176.3 | 0 | 0 | 0 | 111.8 | M99 | M99-I101 PolarHBondContact O-N 2.63Š| ||
| 102 | F | 39.2 | Very low | 50.6 | Low | 190 Ų | 190 | 140.6 Ų | 140.6 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | -54.5 | 165.1 | 177.4 | -91 | -133.3 | 0 | 0 | 0 | 115.4 | ||||
| 103 | N | 41.4 | Very low | 49.6 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | cis | -164.3 | -137.2 | -23.8 | -169.6 | 14.6 | 0 | 0 | 0 | 108.1 | ||||
| 104 | P | 55.6 | Low | 48.3 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | trans | -114.1 | 131.7 | -132.5 | 36.2 | -18.4 | 0 | 0 | 0 | 116.2 | ||||
| 105 | M | 39 | Very low | 47.2 | Very low | 191 Ų | 191 | 135 Ų | 135 | 94% | 0.941 | 77% | 0.772 | S | S | * | * | trans | -158.1 | 144.3 | 140.9 | -129.3 | -179.6 | -178.6 | 0 | 0 | 113.2 | ||||
| 106 | A | 46.3 | Very low | 46.5 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | 19.2 | 106.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 107 | L | 37.5 | Very low | 46.1 | Very low | 166 Ų | 166 | 135.2 Ų | 135.2 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | -168.4 | 103.3 | 118.9 | -102.3 | 166.4 | 0 | 0 | 0 | 113.2 | F109 | L107-F109 PolarHBondContact O-N 2.77Š| |||
| 108 | Q | 43.5 | Very low | 45.7 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 54.2 | 58.2 | 134.4 | -145 | 78.8 | -26.7 | 0 | 0 | 121 | ||||
| 109 | F | 35.4 | Very low | 45.9 | Very low | 215 Ų | 215 | 134.7 Ų | 134.7 | 94% | 0.943 | 76% | 0.756 | S | S | * | * | trans | -140.6 | 67.3 | 155.8 | -153.9 | -95.3 | 0 | 0 | 0 | 113.7 | L107 | L107-F109 PolarHBondContact O-N 2.77Š| ||
| 110 | G | 40.1 | Very low | 46.2 | Very low | 82 Ų | 82 | 134.1 Ų | 134.1 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -129.4 | 95.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 111 | A | 42.8 | Very low | 46.2 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -145.5 | 7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 112 | Y | 44.4 | Very low | 46.5 | Very low | 222 Ų | 222 | 137.1 Ų | 137.1 | 87% | 0.871 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -136.7 | -9.2 | -176.8 | -137 | -96.5 | 0 | 0 | 0 | 116.2 | ||
| 113 | G | 50.8 | Low | 47.2 | Very low | 64 Ų | 64 | 131.5 Ų | 131.5 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -82.1 | -34.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y115 | G113-Y115 PolarHBondContact O-N 2.7Š|
| 114 | A | 43.4 | Very low | 47.8 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -69 | -34.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A116 Q118 | A114-A116 PolarHBondContact O-N 3.41Å; A114-Q118 PolarHBondContact O-N 3.33Å |
| 115 | Y | 48.7 | Very low | 47.7 | Very low | 182 Ų | 182 | 130 Ų | 130 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -67.9 | -34.9 | -174.3 | -163.5 | -100.7 | 0 | 0 | 0 | 112.8 | G113 Q117 Q118 V119 | G113-Y115 PolarHBondContact O-N 2.7Å; Y115-Q117 PolarHBondContact O-N 3.13Å; Y115-Q118 PolarHBondContact O-N 2.98Å; Y115-V119 HydrophobicContact CD1-CG2 4.18Å; Y115-V119 HydrophobicContact CE1-CG2 3.84Å; Y115-V119 PolarHBondContact O-N 2.66Å |
| 116 | A | 50.7 | Low | 48.3 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 56% | 0.562 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -64.4 | -41 | -179 | 0 | 0 | 0 | 0 | 0 | 112.6 | A114 Q120 | A114-A116 PolarHBondContact O-N 3.41Å; A116-Q120 PolarHBondContact O-N 3.28Å |
| 117 | Q | 51 | Low | 48.5 | Very low | 156 Ų | 156 | 129 Ų | 129 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -69.3 | -36.3 | -179.6 | -165.6 | 172.5 | 25.2 | 0 | 0 | 112 | Y115 Q120 Q121 | Y115-Q117 PolarHBondContact O-N 3.13Å; Q117-Q120 PolarHBondContact O-N 2.85Å; Q117-Q121 PolarHBondContact O-N 2.97Å |
| 118 | Q | 47.7 | Very low | 49 | Very low | 145 Ų | 145 | 125.7 Ų | 125.7 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -70 | -36.2 | -177.9 | -167.3 | 172.7 | -23.5 | 0 | 0 | 112.7 | A114 Y115 | A114-Q118 PolarHBondContact O-N 3.33Å; Y115-Q118 PolarHBondContact O-N 2.98Å |
| 119 | V | 52.8 | Low | 48.8 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 49% | 0.485 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -68.3 | -41.6 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | Y115 Q121 Q122 A123 | Y115-V119 HydrophobicContact CD1-CG2 4.18Å; Y115-V119 HydrophobicContact CE1-CG2 3.84Å; Y115-V119 PolarHBondContact O-N 2.66Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 3.37Å; V119-Q122 PolarHBondContact O-N 3.24Å; V119-A123 PolarHBondContact O-N 3.41Å |
| 120 | Q | 56.1 | Low | 49.2 | Very low | 155 Ų | 155 | 115.9 Ų | 115.9 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -69.2 | -29.6 | -177.2 | -169.8 | 161.5 | -14.4 | 0 | 0 | 113.1 | A116 Q117 | A116-Q120 PolarHBondContact O-N 3.28Å; Q117-Q120 PolarHBondContact O-N 2.85Å |
| 121 | Q | 56 | Low | 49 | Very low | 148 Ų | 148 | 121 Ų | 121 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -72.2 | -28.1 | 175.1 | -163.5 | 167.2 | 24.9 | 0 | 0 | 112.9 | Q117 V119 | Q117-Q121 PolarHBondContact O-N 2.97Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 3.37Å |
| 122 | Q | 53.8 | Low | 49 | Very low | 146 Ų | 146 | 120.3 Ų | 120.3 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -72.3 | -29.6 | 176.6 | -171.1 | 154.9 | 56.8 | 0 | 0 | 112.7 | V119 A124 L125 | V119-Q122 PolarHBondContact O-N 3.24Å; Q122-A124 VanDerWaalsContact C-N 3.32Å; Q122-A124 PolarHBondContact O-N 2.69Å; Q122-L125 HydrophobicContact CG-CD1 4.46Å; Q122-L125 PolarHBondContact O-N 3.34Å |
| 123 | A | 54.6 | Low | 48.6 | Very low | 72 Ų | 72 | 113.6 Ų | 113.6 | 60% | 0.595 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -66.1 | -29.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V119 L125 | V119-A123 PolarHBondContact O-N 3.41Å; A123-L125 PolarHBondContact O-N 2.85Å |
| 124 | A | 53.3 | Low | 48.4 | Very low | 76 Ų | 76 | 121.5 Ų | 121.5 | 63% | 0.628 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -17.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q122 | Q122-A124 VanDerWaalsContact C-N 3.32Å; Q122-A124 PolarHBondContact O-N 2.69Å |
| 125 | L | 52.9 | Low | 48 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 63% | 0.634 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -23.5 | -175.9 | -54.1 | 175 | 0 | 0 | 0 | 113.3 | Q122 A123 | Q122-L125 HydrophobicContact CG-CD1 4.46Å; Q122-L125 PolarHBondContact O-N 3.34Å; A123-L125 PolarHBondContact O-N 2.85Å |
| 126 | M | 53 | Low | 47.4 | Very low | 163 Ų | 163 | 122.5 Ų | 122.5 | 80% | 0.803 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -4.2 | -167.2 | -155.5 | 169.1 | -172.5 | 0 | 0 | 113.9 | ||
| 127 | A | 49.6 | Very low | 47.2 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -1.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 128 | S | 47.5 | Very low | 47.1 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -118.1 | -4.3 | -168.7 | 56.5 | 0 | 0 | 0 | 0 | 116.1 | G130 | S128-G130 PolarHBondContact O-N 3.06Š|
| 129 | V | 40.9 | Very low | 47.2 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | trans | -102.5 | 55.8 | -175.5 | -69 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 130 | G | 42.4 | Very low | 46.9 | Very low | 62 Ų | 62 | 125.4 Ų | 125.4 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | trans | -76.8 | 145.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 110 | S128 | S128-G130 PolarHBondContact O-N 3.06Š| ||
| 131 | Q | 36.2 | Very low | 46.5 | Very low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 79.3 | 92.4 | -178.9 | -50 | -57.1 | -25.1 | 0 | 0 | 117.4 | ||
| 132 | G | 42.4 | Very low | 45.9 | Very low | 85 Ų | 85 | 125.8 Ų | 125.8 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | 58.9 | 107.5 | 124.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 133 | G | 37.1 | Very low | 45.4 | Very low | 81 Ų | 81 | 123.7 Ų | 123.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | 168.5 | 128.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 134 | Y | 45.8 | Very low | 45 | Very low | 231 Ų | 231 | 125.1 Ų | 125.1 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -76.4 | 139.6 | 166.5 | -89.3 | -110.1 | 0 | 0 | 0 | 109.9 | ||||
| 135 | L | 34.5 | Very low | 44.6 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | 176.3 | 163.6 | 130.4 | -94.8 | 161.2 | 0 | 0 | 0 | 112.2 | ||||
| 136 | S | 37.7 | Very low | 44.6 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 83% | 0.827 | S | S | * | * | trans | -83.1 | 147.6 | -165.4 | -51.4 | 0 | 0 | 0 | 0 | 115.2 | M138 | S136-M138 PolarHBondContact O-N 3.32Š| ||
| 137 | P | 46.1 | Very low | 44.4 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -89.9 | 94.6 | -176.6 | 34.6 | -34.4 | 0 | 0 | 0 | 113.5 | ||
| 138 | M | 49.2 | Very low | 44.1 | Very low | 185 Ų | 185 | 137.4 Ų | 137.4 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -150.4 | 16.9 | 167.6 | -157.8 | 53.9 | -171.6 | 0 | 0 | 115.3 | S136 | S136-M138 PolarHBondContact O-N 3.32Š|
| 139 | A | 49.9 | Very low | 43.7 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -126.1 | 3.7 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 140 | A | 45.3 | Very low | 43.2 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -110.4 | -1.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 141 | F | 47.9 | Very low | 42.8 | Very low | 208 Ų | 208 | 143.9 Ų | 143.9 | 91% | 0.912 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -90.3 | -2.2 | -172.8 | -154 | -99.8 | 0 | 0 | 0 | 114.7 | ||
| 142 | A | 43.9 | Very low | 42.9 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 85% | 0.851 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -99.7 | 0.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 143 | A | 42.6 | Very low | 42.5 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -121.8 | 14.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 144 | A | 46.8 | Very low | 42.1 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 84% | 0.835 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -135.4 | 23.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 145 | Q | 45.9 | Very low | 41.5 | Very low | 184 Ų | 184 | 143 Ų | 143 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -127.1 | 48 | -179.9 | -160.9 | -173.5 | 73 | 0 | 0 | 112.8 | ||
| 146 | M | 52.4 | Low | 42.1 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 89% | 0.892 | 84% | 0.84 | S | S | * | * | trans | -158.9 | 170.7 | 162.8 | -117.2 | -176.7 | -173.4 | 0 | 0 | 110.8 | ||||
| 147 | Q | 49.1 | Very low | 41.8 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | trans | 80.1 | 143.7 | -164.5 | -49.3 | -80.1 | -76.6 | 0 | 0 | 113.4 | ||||
| 148 | H | 41.6 | Very low | 41.4 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | 84.2 | 32.4 | 178.3 | -48.9 | -45.7 | 0 | 0 | 0 | 119.6 | ||||
| 149 | M | 39.2 | Very low | 41.3 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -127.8 | 146.4 | 139.1 | -93.1 | -166.1 | 169.8 | 0 | 0 | 109.6 | ||
| 150 | A | 31.1 | Very low | 40.6 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | trans | 64.9 | 147.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 151 | T | 33.7 | Very low | 40 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | cis | -141.7 | 172.4 | -0.9 | -155.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 152 | I | 38.9 | Very low | 39.9 | Very low | 152 Ų | 152 | 134 Ų | 134 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | trans | -77.5 | 168.9 | -177 | 51 | 169.1 | 0 | 0 | 0 | 114.8 | ||||
| 153 | N | 34.1 | Very low | 39.4 | Very low | 169 Ų | 169 | 135 Ų | 135 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | 88.7 | 119.6 | 150 | -155.4 | 46.1 | 0 | 0 | 0 | 118.7 | ||||
| 154 | G | 28.5 | Very low | 39 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | 162 | 98.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 155 | L | 33.7 | Very low | 38.2 | Very low | 172 Ų | 172 | 134.5 Ų | 134.5 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | -113.8 | 174 | 162.3 | -87 | 167.3 | 0 | 0 | 0 | 107.9 | ||||
| 156 | P | 47.3 | Very low | 37.4 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | cis | -136.2 | -176.2 | 13.2 | 43.2 | -26 | 0 | 0 | 0 | 115.9 | ||||
| 157 | G | 30.1 | Very low | 36.4 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 170.9 | 101.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 158 | A | 37.7 | Very low | 35.9 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -149.6 | 144.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 159 | P | 48.1 | Very low | 36.7 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | -145.7 | 162.4 | 126.7 | 30.8 | -12.8 | 0 | 0 | 0 | 113.5 | |||||
| 160 | L | 34.4 | Very low | 36.9 | Very low | 161 Ų | 161 | 118.4 Ų | 118.4 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | cis | -155.9 | 170.2 | -15.2 | -107.7 | -155.6 | 0 | 0 | 0 | 111.6 | ||||
| 161 | T | 33.3 | Very low | 36.8 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | trans | -57.7 | 171.8 | 171 | 43.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 162 | P | 45.7 | Very low | 36.8 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -133.1 | 157.9 | 36.7 | 16.5 | 11.7 | 0 | 0 | 0 | 117.6 | ||||
| 163 | T | 33.7 | Very low | 36.4 | Very low | 126 Ų | 126 | 116.6 Ų | 116.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | 92.1 | 143.5 | 54 | -120.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 164 | S | 33.6 | Very low | 36.1 | Very low | 106 Ų | 106 | 112.8 Ų | 112.8 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | cis | -159.6 | 155.6 | 6.3 | -99.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 165 | G | 30.5 | Very low | 37.3 | Very low | 85 Ų | 85 | 114.6 Ų | 114.6 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | trans | 75.6 | 161.1 | 140.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 166 | G | 29.3 | Very low | 37.1 | Very low | 74 Ų | 74 | 111.6 Ų | 111.6 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | cis | 168.2 | 138.1 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 167 | S | 31.8 | Very low | 36.4 | Very low | 111 Ų | 111 | 111.9 Ų | 111.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 63.2 | 117.2 | 154.3 | -54.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 168 | T | 37.3 | Very low | 36.3 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | 65.4 | 143.7 | 137.2 | 52.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 169 | P | 58.4 | Low | 35.9 | Very low | 117 Ų | 117 | 114 Ų | 114 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -93.1 | 165.9 | 173 | 40.2 | -36.7 | 0 | 0 | 0 | 113.2 | ||||
| 170 | P | 44.8 | Very low | 35.5 | Very low | 129 Ų | 129 | 115.8 Ų | 115.8 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | -156.6 | 158.2 | 102.3 | 39.5 | -21.6 | 0 | 0 | 0 | 118.3 | |||||
| 171 | G | 28.9 | Very low | 36.2 | Very low | 64 Ų | 64 | 113.6 Ų | 113.6 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | 84.3 | 131.1 | 132.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 172 | I | 33.4 | Very low | 36.6 | Very low | 170 Ų | 170 | 113.3 Ų | 113.3 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | 57.5 | 144.3 | 151.6 | 72.9 | 171.9 | 0 | 0 | 0 | 118.7 | ||||
| 173 | S | 29.4 | Very low | 36.8 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | cis | -143.7 | 171.2 | 15.5 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 174 | A | 29.3 | Very low | 37.3 | Very low | 88 Ų | 88 | 115.3 Ų | 115.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -90.1 | -174.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 175 | P | 53.3 | Low | 37.1 | Very low | 113 Ų | 113 | 116 Ų | 116 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -122.3 | -140.5 | -4.1 | 26.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 176 | T | 28.5 | Very low | 37.2 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -165.7 | 162 | 12.2 | -17.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 177 | V | 33.1 | Very low | 37.7 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | 58.1 | 176.2 | 160.2 | -56.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 178 | T | 28.4 | Very low | 37.6 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | -164.4 | 155.7 | -70.2 | -50.4 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 179 | S | 29 | Very low | 37.4 | Very low | 100 Ų | 100 | 123 Ų | 123 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | 80.5 | 104.8 | 157 | -61.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 180 | I | 39.2 | Very low | 36.1 | Very low | 157 Ų | 157 | 123.4 Ų | 123.4 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | -6.5 | 164 | 122.5 | 43.3 | 162.8 | 0 | 0 | 0 | 120.5 | |||||
| 181 | P | 49.9 | Very low | 35.4 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | cis | -141.7 | -159.4 | -21 | 38 | -15.9 | 0 | 0 | 0 | 115.2 | ||||
| 182 | S | 41.3 | Very low | 35.7 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -60.6 | 174.1 | -179.6 | -32.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 183 | P | 49.2 | Very low | 36.7 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | -143.5 | -175.2 | 108.7 | 40.7 | -27.3 | 0 | 0 | 0 | 116.8 | |||||
| 184 | I | 45 | Very low | 38.2 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | -107.2 | 160.3 | -170.9 | -66 | 155.6 | 0 | 0 | 0 | 111.1 | V186 | I184-V186 HydrophobicContact CG2-CG2 4.03Š| ||
| 185 | S | 29.9 | Very low | 39.4 | Very low | 121 Ų | 121 | 124 Ų | 124 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -145.9 | 153.9 | 163.6 | -83.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 186 | V | 32.3 | Very low | 38.5 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -153.2 | 145.4 | -161.6 | 166.9 | 0 | 0 | 0 | 0 | 113.4 | I184 | I184-V186 HydrophobicContact CG2-CG2 4.03Š| ||
| 187 | N | 38.9 | Very low | 38.6 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | 79.7 | 135.2 | 160.2 | -74.8 | -6.1 | 0 | 0 | 0 | 125 | ||||
| 188 | G | 30 | Very low | 38.5 | Very low | 80 Ų | 80 | 128.3 Ų | 128.3 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | 99.5 | 154.8 | 146.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 189 | F | 32.2 | Very low | 38.6 | Very low | 191 Ų | 191 | 125.8 Ų | 125.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | cis | -170.2 | 158.9 | -22.3 | -174.4 | -122.7 | 0 | 0 | 0 | 112 | ||||
| 190 | T | 31.6 | Very low | 38.6 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 72.8 | 141 | 162.9 | 16.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 191 | G | 31.1 | Very low | 39.4 | Very low | 75 Ų | 75 | 127.4 Ų | 127.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 164.1 | 126.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 192 | M | 33.8 | Very low | 39.6 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | trans | -170.7 | 171.3 | 176.3 | -99.1 | -146.2 | -63.5 | 0 | 0 | 110.2 | ||||
| 193 | P | 54.2 | Low | 39 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -125.7 | -119.8 | -15.1 | 25.7 | -0.2 | 0 | 0 | 0 | 114.8 | ||||
| 194 | P | 62.7 | Low | 37.9 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | -113.8 | -158 | -105.9 | 41.4 | -23.1 | 0 | 0 | 0 | 113.8 | |||||
| 195 | P | 54.1 | Low | 37.1 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | cis | -145 | 179.9 | 4.7 | 45.8 | -26.2 | 0 | 0 | 0 | 120.3 | ||||
| 196 | Q | 34.1 | Very low | 37 | Very low | 188 Ų | 188 | 126.1 Ų | 126.1 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | 67.8 | 147.9 | 152.5 | -80 | 167.4 | -32.9 | 0 | 0 | 120.1 | ||||
| 197 | A | 30.4 | Very low | 36.9 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | cis | -153 | 161.3 | -12.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 198 | N | 31.5 | Very low | 36.3 | Very low | 163 Ų | 163 | 128 Ų | 128 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | 176.4 | 148.4 | 76.5 | 171.7 | 53 | 0 | 0 | 0 | 112.3 | |||||
| 199 | G | 31.1 | Very low | 36.3 | Very low | 65 Ų | 65 | 131.3 Ų | 131.3 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | 86.2 | 105.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 200 | Q | 27.8 | Very low | 36.1 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -134.4 | -178.3 | 168.6 | -97.5 | -171.2 | -96 | 0 | 0 | 108.4 | ||||
| 201 | P | 56.9 | Low | 36.2 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | -131.1 | -128.5 | -53.7 | 41.3 | -21.7 | 0 | 0 | 0 | 108.2 | |||||
| 202 | P | 53.3 | Low | 36.4 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | cis | -125.3 | -170.3 | -45.8 | 40 | -23.9 | 0 | 0 | 0 | 113.8 | ||||
| 203 | A | 28.9 | Very low | 36.1 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 69.1 | 165.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 204 | E | 25.6 | Very low | 34.9 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | cis | -161 | 147.2 | -31.4 | -107.2 | -178.1 | 97.9 | 0 | 0 | 110.2 | ||||
| 205 | A | 28.9 | Very low | 34.4 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 52.2 | 171.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 206 | V | 26.8 | Very low | 33.2 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | 90.6 | 145.9 | 158.9 | -172.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 207 | F | 30.6 | Very low | 33 | Very low | 193 Ų | 193 | 130.8 Ų | 130.8 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -81 | 166.1 | -179 | -73.2 | -124 | 0 | 0 | 0 | 113.5 | ||||
| 208 | T | 27.5 | Very low | 32.9 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | 162.6 | 176.5 | 104.5 | -159.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 209 | N | 29.1 | Very low | 32.9 | Very low | 149 Ų | 149 | 128 Ų | 128 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | -53.2 | 169.1 | 171.3 | -58.4 | -94 | 0 | 0 | 0 | 113.5 | ||||
| 210 | G | 29.3 | Very low | 32.8 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | 151.9 | -148 | 6.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 211 | I | 32.6 | Very low | 32.9 | Very low | 147 Ų | 147 | 130 Ų | 130 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | 92.5 | 101.8 | 162.4 | -58.1 | -178.3 | 0 | 0 | 0 | 119.6 | ||||
| 212 | H | 35.5 | Very low | 32.5 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 63% | 0.634 | 76% | 0.762 | S | S | * | * | trans | 71.2 | 177.1 | 144.8 | -62.7 | -179.9 | 0 | 0 | 0 | 118.8 | ||||
| 213 | H | 26.5 | Very low | 31.5 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | cis | -149.3 | 167.9 | 15.7 | -139.1 | -81.1 | 0 | 0 | 0 | 115.8 | ||||
| 214 | Y | 30.3 | Very low | 31.6 | Very low | 168 Ų | 168 | 131.8 Ų | 131.8 | 66% | 0.659 | 77% | 0.771 | S | S | * | * | trans | -120.4 | 173.8 | 176.1 | 35.9 | 24.1 | 0 | 0 | 0 | 111.8 | ||||
| 215 | P | 52 | Low | 32 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | cis | -139.4 | -174.8 | 4.3 | 43.8 | -25.2 | 0 | 0 | 0 | 117.7 | ||||
| 216 | A | 29.6 | Very low | 32.2 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 66.9 | 160.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 217 | E | 28 | Very low | 32.8 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | cis | -158.7 | 173.5 | -2.3 | -143.2 | 169.7 | 92.6 | 0 | 0 | 112.9 | ||||
| 218 | A | 29.8 | Very low | 33.1 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 80.2 | 152.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 219 | A | 31.6 | Very low | 33.7 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -81.3 | 179.8 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 220 | Q | 28.7 | Very low | 34.3 | Very low | 181 Ų | 181 | 130.1 Ų | 130.1 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | cis | -157.1 | -178.7 | 38.5 | -63.2 | 178 | -40.1 | 0 | 0 | 114.2 | ||||
| 221 | S | 29.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | 98.6 | 147.3 | 156.9 | -64.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 222 | P | 49.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -140.6 | -177.8 | -132.3 | 45 | -27.9 | 0 | 0 | 0 | 118.2 | ||||
| 223 | T | 32.1 | Very low | 34 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | 72.5 | 136.2 | 152.4 | -56.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 224 | A | 31.5 | Very low | 34.3 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -175.4 | 166.9 | -14.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 225 | A | 32.4 | Very low | 34.6 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -161.1 | 158 | -23.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 226 | D | 34.9 | Very low | 33.7 | Very low | 135 Ų | 135 | 130.4 Ų | 130.4 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -130.5 | 136.5 | 173.7 | 177.3 | -81.9 | 0 | 0 | 0 | 109.6 | L228 | D226-L228 PolarHBondContact OD1-N 2.96Å; D226-L228 VanDerWaalsContact OD1-N 3.14Å | ||
| 227 | P | 37.5 | Very low | 33.7 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -119 | 92.9 | 167.9 | 35.8 | -22.4 | 0 | 0 | 0 | 112.8 | ||||
| 228 | L | 38.1 | Very low | 33.9 | Very low | 140 Ų | 140 | 135 Ų | 135 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -54.1 | 164.7 | 155.1 | -91.7 | 169.4 | 0 | 0 | 0 | 113.4 | D226 | D226-L228 PolarHBondContact OD1-N 2.96Å; D226-L228 VanDerWaalsContact OD1-N 3.14Å | ||
| 229 | Q | 40.1 | Very low | 33.9 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 70.6 | 153.4 | 166.7 | -114.7 | 56 | 35.7 | 0 | 0 | 113.3 | ||||
| 230 | Q | 42.3 | Very low | 34 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | cis | -140.5 | 137.7 | 25.2 | -60.7 | 164.4 | -38.6 | 0 | 0 | 112.3 | ||||
| 231 | A | 29.3 | Very low | 34.1 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -116.3 | 107.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 232 | Y | 31.6 | Very low | 34.4 | Very low | 215 Ų | 215 | 133.9 Ų | 133.9 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -157.7 | 135.7 | 172.4 | -142.1 | -108.3 | 0 | 0 | 0 | 111.6 | ||||
| 233 | T | 29.8 | Very low | 33.4 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 63.8 | 155.8 | -175 | 78.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 234 | G | 32.7 | Very low | 33.5 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | -157.4 | 171.7 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 235 | V | 35.9 | Very low | 34.2 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -84.7 | 154.6 | -161.8 | -139.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 236 | Q | 33.7 | Very low | 34.5 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | 99.8 | 131.6 | 147.7 | -73.5 | -178.2 | 111.1 | 0 | 0 | 122.7 | ||||
| 237 | Q | 29.7 | Very low | 34.4 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | trans | 70.5 | 156.4 | 147.2 | -69.8 | 162.7 | -35.6 | 0 | 0 | 116.8 | ||||
| 238 | Y | 31.5 | Very low | 34.4 | Very low | 213 Ų | 213 | 142.6 Ų | 142.6 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | cis | -154.7 | 163 | 16 | 23.3 | -103.1 | 0 | 0 | 0 | 113.2 | ||||
| 239 | A | 29.7 | Very low | 34.4 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | 74.2 | 154.8 | 151 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 240 | V | 33.3 | Very low | 34.2 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -111.6 | 144.2 | -176.7 | 168.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 241 | S | 31.6 | Very low | 33.8 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -165 | 167.1 | 151.4 | -85.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 242 | A | 35.3 | Very low | 34.4 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -125.5 | 162.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 243 | A | 27.5 | Very low | 34.9 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | 158 | 161 | 148.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 244 | Y | 34.8 | Very low | 35.4 | Very low | 230 Ų | 230 | 135.7 Ų | 135.7 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -81.1 | -179.6 | 176.7 | -59.3 | -88.3 | 0 | 0 | 0 | 112.1 | ||||
| 245 | P | 46.2 | Very low | 35.9 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | cis | -131.6 | -167.3 | 3 | 37.5 | -16.1 | 0 | 0 | 0 | 115.1 | ||||
| 246 | A | 38.5 | Very low | 36.3 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -90.3 | 155.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 247 | A | 33.7 | Very low | 36.9 | Very low | 83 Ų | 83 | 140.8 Ų | 140.8 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | trans | -161.4 | 157 | 147.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 248 | Y | 36.8 | Very low | 37.9 | Very low | 233 Ų | 233 | 138.6 Ų | 138.6 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | trans | 57.6 | 113 | 172.3 | -71.6 | -83 | 0 | 0 | 0 | 118.9 | ||||
| 249 | G | 38 | Very low | 38.6 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | trans | -92.1 | 160 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 250 | Q | 35.7 | Very low | 39.3 | Very low | 184 Ų | 184 | 134.2 Ų | 134.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -119.2 | 136.8 | 164.6 | -104.2 | -65.5 | -24.6 | 0 | 0 | 109.1 | ||||
| 251 | I | 35.3 | Very low | 40 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -103.9 | 87.5 | -166.3 | -50.6 | 165.5 | 0 | 0 | 0 | 108.4 | Q253 | I251-Q253 PolarHBondContact O-N 3.08Š| ||
| 252 | S | 41.2 | Very low | 40.7 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -62.7 | 109.6 | 169.2 | -58.8 | 0 | 0 | 0 | 0 | 109.2 | A254 | S252-A254 PolarHBondContact O-N 2.86Š| ||
| 253 | Q | 42.6 | Very low | 41 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -68.2 | 98 | 177.5 | -71.8 | -170.8 | -16 | 0 | 0 | 110.1 | I251 F255 | I251-Q253 PolarHBondContact O-N 3.08Å; Q253-F255 PolarHBondContact O-N 3.46Å | ||
| 254 | A | 39.7 | Very low | 41.7 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -63.7 | 127.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | S252 | S252-A254 PolarHBondContact O-N 2.86Š| ||
| 255 | F | 43.9 | Very low | 42.4 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 79% | 0.789 | 75% | 0.75 | S | S | * | * | trans | -58.5 | 135.6 | 171.1 | -78.6 | -101.9 | 0 | 0 | 0 | 109.1 | Q253 H257 | Q253-F255 PolarHBondContact O-N 3.46Å; F255-H257 VanDerWaalsContact C-N 3.33Å; F255-H257 PolarHBondContact O-CD2 3.39Å; F255-H257 PolarHBondContact O-N 3.36Å | ||
| 256 | P | 43.8 | Very low | 43 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | trans | -68.5 | 94.6 | 174 | 28.1 | -33.2 | 0 | 0 | 0 | 108.9 | ||||
| 257 | H | 46.6 | Very low | 44.3 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -54 | 132.7 | 169.7 | -61.5 | -90.1 | 0 | 0 | 0 | 108.6 | F255 | F255-H257 VanDerWaalsContact C-N 3.33Å; F255-H257 PolarHBondContact O-CD2 3.39Å; F255-H257 PolarHBondContact O-N 3.36Å |
| 258 | P | 50.5 | Low | 46.1 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.6 | 166.3 | 26.3 | -33 | 0 | 0 | 0 | 107.5 | ||
| 259 | P | 46.6 | Very low | 47.9 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -57 | 133 | -178.9 | 24.2 | -33.5 | 0 | 0 | 0 | 108.3 | I261 | P259-I261 PolarHBondContact O-N 3.04Å; P259-I261 VanDerWaalsContact O-N 3.1Å |
| 260 | P | 43.7 | Very low | 49.8 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 126 | 179.6 | 23.6 | -32.9 | 0 | 0 | 0 | 107.8 | I262 | P260-I262 WeakPolarHBondContact O-CG1 3.35Å; P260-I262 PolarHBondContact O-N 3.25Å |
| 261 | I | 48 | Very low | 51.9 | Low | 169 Ų | 169 | 123.7 Ų | 123.7 | 87% | 0.867 | 66% | 0.657 | S | S | * | * | trans | -71.4 | 81.1 | 170.5 | -55.1 | 177.9 | 0 | 0 | 0 | 105.9 | P259 | P259-I261 PolarHBondContact O-N 3.04Å; P259-I261 VanDerWaalsContact O-N 3.1Å | ||
| 262 | I | 45.8 | Very low | 54.1 | Low | 117 Ų | 117 | 118.3 Ų | 118.3 | 60% | 0.6 | 64% | 0.638 | S | S | * | * | trans | -49.6 | 129.1 | 167.3 | -44.6 | 179.1 | 0 | 0 | 0 | 104.7 | P260 Q264 | P260-I262 WeakPolarHBondContact O-CG1 3.35Å; P260-I262 PolarHBondContact O-N 3.25Å; I262-Q264 PolarHBondContact O-N 3.16Å | ||
| 263 | P | 41.6 | Very low | 56.5 | Low | 49 Ų | 49 | 112.7 Ų | 112.7 | 32% | 0.318 | 60% | 0.599 | S | S | . | * | trans | -50.8 | 145.1 | 169.3 | 24.5 | -35.2 | 0 | 0 | 0 | 107.6 | E1 Q265 | E1-P263 WeakPolarHBondContact OE2-CB 3.49Å; E1-P263 WeakPolarHBondContact OE2-CG 3.23Å; P263-Q265 PolarHBondContact O-N 2.74Å | ||
| 264 | Q | 43.5 | Very low | 58.8 | Low | 168 Ų | 168 | 104.9 Ų | 104.9 | 79% | 0.785 | 56% | 0.563 | S | S | * | * | trans | -66.1 | 78.7 | 161.2 | -69.9 | -177.3 | -1.6 | 0 | 0 | 107.8 | I262 Q266 | I262-Q264 PolarHBondContact O-N 3.16Å; Q264-Q266 PolarHBondContact O-N 2.86Å | ||
| 265 | Q | 49.8 | Very low | 61.4 | Low | 153 Ų | 153 | 100.8 Ų | 100.8 | 72% | 0.715 | 53% | 0.529 | S | S | * | . | trans | -44.8 | 123.6 | 134.7 | -70.5 | -176 | 12 | 0 | 0 | 104.9 | P263 R267 | P263-Q265 PolarHBondContact O-N 2.74Å; Q265-R267 PolarHBondContact O-N 2.91Å | ||
| 266 | Q | 57.8 | Low | 63.8 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | trans | -43.6 | 106.7 | 176.1 | -174.1 | -176.4 | -28.4 | 0 | 0 | 107.3 | Q264 E268 S301 | Q264-Q266 PolarHBondContact O-N 2.86Å; Q266-E268 VanDerWaalsContact C-N 3.28Å; Q266-E268 PolarHBondContact O-N 2.67Å; Q266-S301 WeakPolarHBondContact CG-OG 3.36Å | ||
| 267 | R | 65.3 | Low | 66.2 | Low | 177 Ų | 177 | 88.2 Ų | 88.2 | 67% | 0.668 | 46% | 0.462 | S | S | * | . | trans | -70.3 | 93.2 | -168.4 | -85.8 | -173.5 | 173.9 | 175.7 | -2.3 | 107.6 | Q265 G269 I300 | Q265-R267 PolarHBondContact O-N 2.91Å; R267-G269 PolarHBondContact O-N 3.23Å; R267-I300 HydrophobicContact CB-CG2 3.39Å; R267-I300 WeakPolarHBondContact O-CG2 3.14Å | ||
| 268 | E | 72.5 | Confident | 68.4 | Low | 104 Ų | 104 | 84.8 Ų | 84.8 | 49% | 0.486 | 44% | 0.443 | S | S | . | . | trans | -61.7 | 132.5 | 169.5 | -55.2 | -149.1 | 43 | 0 | 0 | 107.2 | Q266 K349 | Q266-E268 VanDerWaalsContact C-N 3.28Å; Q266-E268 PolarHBondContact O-N 2.67Å; E268-K349 IonicContact OE1-NZ 2.62Å; E268-K349 PolarHBondContact OE1-NZ 3.41Å; E268-K349 IonicContact OE2-NZ 2.72Å; E268-K349 PolarHBondContact OE2-NZ 3.42Å | ||
| 269 | G | 73.1 | Confident | 70.3 | Confident | 10 Ų | 10 | 84 Ų | 84 | 10% | 0.103 | 43% | 0.43 | C | S | . | . | trans | -67.9 | 177.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R267 N274 F321 | R267-G269 PolarHBondContact O-N 3.23Å; G269-N274 PolarHBondContact N-OD1 3.33Å; G269-N274 PolarHBondContact O-ND2 3.37Å; G269-F321 WeakPolarHBondContact CA-O 3.37Å | ||
| 270 | P | 79 | Confident | 72.5 | Confident | 72 Ų | 72 | 78.7 Ų | 78.7 | 47% | 0.468 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -52.1 | 160 | 170 | -17.1 | 26.1 | 0 | 0 | 0 | 111.6 | C273 N274 | P270-C273 WeakPolarHBondContact O-CB 3.17Å; P270-C273 PolarHBondContact O-N 2.89Å; P270-C273 PolarHBondContact O-SG 2.94Å; P270-C273 VanDerWaalsContact O-SG 3.37Å; P270-N274 PolarHBondContact O-ND2 2.69Å |
| 271 | E | 80.2 | Confident | 74.5 | Confident | 181 Ų | 181 | 74.4 Ų | 74.4 | 85% | 0.846 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 144.8 | 172.9 | 61.1 | -175.5 | 101.1 | 0 | 0 | 111.5 | C273 | E271-C273 PolarHBondContact O-N 2.98Š|
| 272 | G | 81.9 | Confident | 76.3 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | -9.8 | -169 | 0 | 0 | 0 | 0 | 0 | 116.1 | L348 | G272-L348 WeakPolarHBondContact O-CD2 3.47Š|
| 273 | C | 90.1 | Very high | 78.3 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -96 | -10.7 | 179.3 | -48.4 | 0 | 0 | 0 | 0 | 113.8 | P270 E271 F321 P324 | P270-C273 WeakPolarHBondContact O-CB 3.17Å; P270-C273 PolarHBondContact O-N 2.89Å; P270-C273 PolarHBondContact O-SG 2.94Å; P270-C273 VanDerWaalsContact O-SG 3.37Å; E271-C273 PolarHBondContact O-N 2.98Å; C273-F321 HydrophobicContact CB-CB 4.45Å; C273-F321 VanDerWaalsContact CB-O 3.26Å; C273-F321 WeakPolarHBondContact CB-O 3.47Å; C273-F321 PolarHBondContact O-N 2.77Å; C273-P324 WeakPolarHBondContact SG-CD 3.5Å | ||
| 274 | N | 92.2 | Very high | 80.5 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.1 | -176.7 | -62.9 | -64.2 | 0 | 0 | 0 | 110.7 | G269 P270 S320 K349 | G269-N274 PolarHBondContact N-OD1 3.33Å; G269-N274 PolarHBondContact O-ND2 3.37Å; P270-N274 PolarHBondContact O-ND2 2.69Å; N274-S320 VanDerWaalsContact OD1-CB 3.22Å; N274-S320 WeakPolarHBondContact OD1-CB 3.36Å; N274-S320 PolarHBondContact OD1-OG 3Å; N274-K349 HydrophobicContact CB-CB 3.92Å; N274-K349 HydrophobicContact CB-CD 4.13Å; N274-K349 WeakPolarHBondContact O-CB 3.48Å; N274-K349 PolarHBondContact O-N 3.4Å |
| 275 | L | 93.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 151.3 | 178.9 | -57.9 | -170.7 | 0 | 0 | 0 | 112 | I277 F293 F318 V319 F321 A327 A330 I331 V346 Q347 L348 | L275-I277 HydrophobicContact CB-CD1 3.97Å; L275-F293 HydrophobicContact CD1-CD1 4.25Å; L275-F293 HydrophobicContact CD1-CE1 3.96Å; L275-F318 VanDerWaalsContact O-CA 3.27Å; L275-F318 WeakPolarHBondContact O-CA 3.39Å; L275-F318 WeakPolarHBondContact O-CB 3.44Å; L275-F318 WeakPolarHBondContact O-CD1 3.34Å; L275-V319 HydrophobicContact CB-CB 4.46Å; L275-V319 WeakPolarHBondContact CB-O 3.47Å; L275-V319 PolarHBondContact N-O 2.85Å; L275-V319 PolarHBondContact O-N 3.45Å; L275-V319 VanDerWaalsContact O-N 3.16Å; L275-F321 HydrophobicContact CD1-CD2 4.18Å; L275-F321 HydrophobicContact CD1-CE2 3.7Å; L275-F321 HydrophobicContact CG-CD2 4.38Å; L275-F321 HydrophobicContact CG-CE2 4.37Å; L275-A327 HydrophobicContact CD2-CB 3.92Å; L275-A327 HydrophobicContact CG-CB 4.28Å; L275-A330 HydrophobicContact CD1-CB 3.83Å; L275-I331 HydrophobicContact CD1-CG1 4.4Å; L275-I331 HydrophobicContact CD2-CD1 3.56Å; L275-I331 HydrophobicContact CD2-CG1 3.64Å; L275-V346 HydrophobicContact CB-CG1 4.47Å; L275-V346 HydrophobicContact CD1-CG1 3.79Å; L275-Q347 CarbonylContact C-O 3.46Å; L275-Q347 WeakPolarHBondContact CA-O 3.35Å; L275-L348 HydrophobicContact CD2-CD2 4Å |
| 276 | F | 94.2 | Very high | 84.6 | Confident | 40 Ų | 40 | 63.3 Ų | 63.3 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 122.3 | 170.1 | -167.9 | -156.8 | 0 | 0 | 0 | 109.7 | Y278 F316 G317 F318 Q347 | F276-Y278 HydrophobicContact CD1-CD2 4.48Å; F276-Y278 AromaticContact CD1-CE2 3.51Å; F276-Y278 HydrophobicContact CD1-CE2 3.51Å; F276-Y278 AromaticContact CD1-CZ 3.72Å; F276-Y278 HydrophobicContact CE1-CE1 4.12Å; F276-Y278 AromaticContact CE1-CE2 3.66Å; F276-Y278 HydrophobicContact CE1-CE2 3.66Å; F276-Y278 AromaticContact CE1-CZ 3.36Å; F276-Y278 WeakPolarHBondContact CE1-OH 3.41Å; F276-Y278 HydrophobicContact CG-CE2 4.04Å; F276-Y278 HydrophobicContact CZ-CE1 4.26Å; F276-Y278 HydrophobicContact CZ-CE2 4.28Å; F276-Y278 AromaticContact CZ-CZ 3.92Å; F276-F316 HydrophobicContact CE2-CB 4.3Å; F276-F316 AromaticContact CE2-CD2 3.69Å; F276-F316 HydrophobicContact CE2-CD2 3.69Å; F276-F316 HydrophobicContact CE2-CE2 4.34Å; F276-F316 HydrophobicContact CE2-CG 4.28Å; F276-F316 HydrophobicContact CZ-CD2 4.15Å; F276-G317 WeakPolarHBondContact CD2-O 3.44Å; F276-F318 HydrophobicContact CB-CD1 3.94Å; F276-F318 HydrophobicContact CB-CE1 3.88Å; F276-F318 HydrophobicContact CD1-CE1 4.12Å; F276-F318 HydrophobicContact CD1-CZ 4.48Å; F276-F318 AromaticContact CD2-CD1 3.54Å; F276-F318 HydrophobicContact CD2-CD1 3.54Å; F276-F318 HydrophobicContact CD2-CD2 4.23Å; F276-F318 AromaticContact CD2-CE1 3.22Å; F276-F318 HydrophobicContact CD2-CE1 3.22Å; F276-F318 AromaticContact CD2-CE2 3.96Å; F276-F318 HydrophobicContact CD2-CE2 3.96Å; F276-F318 HydrophobicContact CD2-CG 4.05Å; F276-F318 AromaticContact CD2-CZ 3.46Å; F276-F318 HydrophobicContact CD2-CZ 3.46Å; F276-F318 VanDerWaalsContact CD2-CZ 3.46Å; F276-F318 HydrophobicContact CE1-CE1 4.46Å; F276-F318 HydrophobicContact CE1-CZ 4.38Å; F276-F318 HydrophobicContact CE2-CD1 4.28Å; F276-F318 HydrophobicContact CE2-CD2 4.32Å; F276-F318 AromaticContact CE2-CE1 3.67Å; F276-F318 HydrophobicContact CE2-CE1 3.67Å; F276-F318 AromaticContact CE2-CE2 3.71Å; F276-F318 HydrophobicContact CE2-CE2 3.71Å; F276-F318 AromaticContact CE2-CZ 3.35Å; F276-F318 HydrophobicContact CE2-CZ 3.35Å; F276-F318 AromaticContact CG-CD1 3.95Å; F276-F318 HydrophobicContact CG-CD1 3.95Å; F276-F318 AromaticContact CG-CE1 3.5Å; F276-F318 HydrophobicContact CG-CE1 3.5Å; F276-F318 VanDerWaalsContact CG-CE1 3.5Å; F276-F318 HydrophobicContact CG-CZ 4.07Å; F276-F318 HydrophobicContact CZ-CE1 4.28Å; F276-F318 HydrophobicContact CZ-CE2 4.48Å; F276-F318 AromaticContact CZ-CZ 3.86Å; F276-F318 HydrophobicContact CZ-CZ 3.86Å; F276-Q347 PolarHBondContact N-O 2.85Å; F276-Q347 PolarHBondContact O-N 3.01Å |
| 277 | I | 94.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126 | -171.5 | -54.1 | 82.8 | 0 | 0 | 0 | 109 | L275 L280 L289 F293 F316 G317 V319 K345 V346 | L275-I277 HydrophobicContact CB-CD1 3.97Å; I277-L280 HydrophobicContact CB-CD2 4.49Å; I277-L280 HydrophobicContact CG2-CD2 3.63Å; I277-L280 HydrophobicContact CG2-CG 4.11Å; I277-L289 HydrophobicContact CG1-CD1 4.46Å; I277-F293 HydrophobicContact CD1-CZ 4.49Å; I277-F293 HydrophobicContact CG1-CE1 4.37Å; I277-F293 HydrophobicContact CG1-CE2 4.38Å; I277-F293 HydrophobicContact CG1-CZ 3.82Å; I277-F316 CarbonylContact O-C 3.54Å; I277-F316 WeakPolarHBondContact O-CA 3.44Å; I277-F316 WeakPolarHBondContact O-CB 3.22Å; I277-G317 PolarHBondContact N-O 2.87Å; I277-G317 PolarHBondContact O-N 2.86Å; I277-V319 HydrophobicContact CD1-CB 3.93Å; I277-V319 HydrophobicContact CD1-CG2 3.7Å; I277-K345 WeakPolarHBondContact CA-O 3.15Å; I277-V346 HydrophobicContact CG1-CG1 4.27Å; I277-V346 HydrophobicContact CG1-CG2 4.12Å; I277-V346 HydrophobicContact CG2-CG2 4.09Å |
| 278 | Y | 93 | Very high | 87.3 | Confident | 88 Ų | 88 | 58.1 Ų | 58.1 | 35% | 0.345 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 163.8 | 174 | -60.8 | -108.6 | 0 | 0 | 0 | 111.5 | F276 L280 C315 K345 Q347 | F276-Y278 HydrophobicContact CD1-CD2 4.48Å; F276-Y278 AromaticContact CD1-CE2 3.51Å; F276-Y278 HydrophobicContact CD1-CE2 3.51Å; F276-Y278 AromaticContact CD1-CZ 3.72Å; F276-Y278 HydrophobicContact CE1-CE1 4.12Å; F276-Y278 AromaticContact CE1-CE2 3.66Å; F276-Y278 HydrophobicContact CE1-CE2 3.66Å; F276-Y278 AromaticContact CE1-CZ 3.36Å; F276-Y278 WeakPolarHBondContact CE1-OH 3.41Å; F276-Y278 HydrophobicContact CG-CE2 4.04Å; F276-Y278 HydrophobicContact CZ-CE1 4.26Å; F276-Y278 HydrophobicContact CZ-CE2 4.28Å; F276-Y278 AromaticContact CZ-CZ 3.92Å; Y278-L280 VanDerWaalsContact C-N 3.29Å; Y278-L280 PolarHBondContact O-N 3.3Å; Y278-C315 CarbonylContact C-O 3.53Å; Y278-K345 PolarHBondContact N-O 3.3Å; Y278-K345 PolarHBondContact O-N 3.24Å; Y278-K345 VanDerWaalsContact O-N 3.08Å; Y278-Q347 VanDerWaalsContact CE2-NE2 3.31Å |
| 279 | H | 91.3 | Very high | 88.3 | Confident | 94 Ų | 94 | 53.1 Ų | 53.1 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 65.7 | 23.9 | 177.5 | -46.7 | 151.9 | 0 | 0 | 0 | 115 | C315 K342 R343 | H279-C315 WeakPolarHBondContact CA-O 3.39Å; H279-C315 PolarHBondContact N-O 3.33Å; H279-K342 WeakPolarHBondContact O-CE 3.48Å; H279-R343 WeakPolarHBondContact CB-O 3.38Å; H279-R343 PolarHBondContact ND1-O 2.91Å |
| 280 | L | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -51.1 | 149.3 | 169.9 | -63.1 | 174.6 | 0 | 0 | 0 | 110.9 | I277 Y278 F284 L289 V304 C315 K342 L344 | I277-L280 HydrophobicContact CB-CD2 4.49Å; I277-L280 HydrophobicContact CG2-CD2 3.63Å; I277-L280 HydrophobicContact CG2-CG 4.11Å; Y278-L280 VanDerWaalsContact C-N 3.29Å; Y278-L280 PolarHBondContact O-N 3.3Å; L280-F284 HydrophobicContact CB-CB 4.39Å; L280-F284 HydrophobicContact CD2-CD1 4.45Å; L280-L289 HydrophobicContact CD1-CD1 4.42Å; L280-L289 HydrophobicContact CD1-CD2 4.19Å; L280-L289 HydrophobicContact CD2-CD1 3.9Å; L280-V304 HydrophobicContact CD1-CG1 4.38Å; L280-V304 HydrophobicContact CD1-CG2 3.82Å; L280-C315 PolarHBondContact N-O 3.45Å; L280-C315 WeakPolarHBondContact O-CB 3.43Å; L280-C315 PolarHBondContact O-SG 3.17Å; L280-K342 PolarHBondContact O-NZ 3.29Å; L280-L344 HydrophobicContact CD2-CD2 3.96Å | ||
| 281 | P | 87.3 | Confident | 89.8 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | trans | -55.5 | 156.9 | 165.3 | -24.2 | 35.1 | 0 | 0 | 0 | 111.5 | E283 F284 I339 | P281-E283 PolarHBondContact O-N 2.99Å; P281-F284 HydrophobicContact CB-CB 4.41Å; P281-F284 HydrophobicContact CB-CD2 3.72Å; P281-F284 HydrophobicContact CB-CE2 4.42Å; P281-F284 HydrophobicContact CB-CG 4.3Å; P281-F284 HydrophobicContact CG-CD2 3.55Å; P281-F284 HydrophobicContact CG-CE2 3.89Å; P281-F284 HydrophobicContact CG-CG 4.07Å; P281-F284 PolarHBondContact O-N 3.39Å; P281-I339 HydrophobicContact CG-CB 4.44Å; P281-I339 HydrophobicContact CG-CD1 3.62Å; P281-I339 HydrophobicContact CG-CG1 3.74Å; P281-I339 HydrophobicContact CG-CG2 3.87Å | ||
| 282 | Q | 85.6 | Confident | 90.3 | Very high | 110 Ų | 110 | 51.7 Ų | 51.7 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -26.6 | 179.4 | -167.2 | 170 | -45.7 | 0 | 0 | 112 | S313 | Q282-S313 WeakPolarHBondContact O-CB 3.35Š|
| 283 | E | 86.9 | Confident | 90.8 | Very high | 177 Ų | 177 | 50 Ų | 50 | 83% | 0.827 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.6 | 179.8 | -62.1 | 153.3 | 112.7 | 0 | 0 | 113.4 | P281 G285 | P281-E283 PolarHBondContact O-N 2.99Å; E283-G285 PolarHBondContact O-N 2.95Å |
| 284 | F | 87.1 | Confident | 90.9 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | trans | -75.3 | 113 | -177.2 | -99.7 | -123.6 | 0 | 0 | 0 | 111.5 | L280 P281 E288 M292 V304 I339 | L280-F284 HydrophobicContact CB-CB 4.39Å; L280-F284 HydrophobicContact CD2-CD1 4.45Å; P281-F284 HydrophobicContact CB-CB 4.41Å; P281-F284 HydrophobicContact CB-CD2 3.72Å; P281-F284 HydrophobicContact CB-CE2 4.42Å; P281-F284 HydrophobicContact CB-CG 4.3Å; P281-F284 HydrophobicContact CG-CD2 3.55Å; P281-F284 HydrophobicContact CG-CE2 3.89Å; P281-F284 HydrophobicContact CG-CG 4.07Å; P281-F284 PolarHBondContact O-N 3.39Å; F284-E288 HydrophobicContact CD1-CB 3.86Å; F284-E288 HydrophobicContact CD2-CB 4.47Å; F284-E288 HydrophobicContact CE1-CB 4.01Å; F284-E288 HydrophobicContact CG-CB 4.1Å; F284-E288 HydrophobicContact CZ-CB 4.39Å; F284-M292 HydrophobicContact CE1-CB 4.42Å; F284-M292 HydrophobicContact CE1-CE 3.46Å; F284-M292 VanDerWaalsContact CE1-CE 3.46Å; F284-M292 HydrophobicContact CE1-SD 3.8Å; F284-M292 HydrophobicContact CZ-CE 3.61Å; F284-V304 WeakPolarHBondContact O-CG1 3.5Å; F284-I339 HydrophobicContact CE1-CD1 4.38Å; F284-I339 HydrophobicContact CE2-CD1 3.7Å; F284-I339 HydrophobicContact CZ-CD1 3.59Å | ||
| 285 | G | 89.2 | Confident | 90.9 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | trans | -86.4 | -178.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E283 L289 V304 | E283-G285 PolarHBondContact O-N 2.95Å; G285-L289 WeakPolarHBondContact O-CB 3.48Å; G285-L289 PolarHBondContact O-N 3.45Å; G285-V304 VanDerWaalsContact C-CG2 3.5Å; G285-V304 WeakPolarHBondContact O-CG2 3.42Å | ||
| 286 | D | 90.4 | Very high | 90.9 | Very high | 68 Ų | 68 | 59.7 Ų | 59.7 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 175.8 | 40.2 | -131.3 | 0 | 0 | 0 | 113.1 | L289 M290 S302 K303 | D286-L289 PolarHBondContact O-N 2.94Å; D286-M290 PolarHBondContact O-N 3.36Å; D286-S302 WeakPolarHBondContact O-CB 3.41Å; D286-S302 PolarHBondContact O-OG 3.45Å; D286-K303 IonicContact OD1-NZ 3.31Å; D286-K303 PolarHBondContact OD1-NZ 3.31Å |
| 287 | G | 89.7 | Confident | 90.7 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.3 | -53.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L289 M290 Q291 | G287-L289 VanDerWaalsContact C-N 3.32Å; G287-L289 PolarHBondContact O-N 3.42Å; G287-M290 WeakPolarHBondContact O-CB 2.98Å; G287-M290 PolarHBondContact O-N 2.79Å; G287-M290 VanDerWaalsContact O-N 3.09Å; G287-Q291 WeakPolarHBondContact O-CB 3.27Å; G287-Q291 PolarHBondContact O-N 2.73Å |
| 288 | E | 91.7 | Very high | 90.6 | Very high | 105 Ų | 105 | 63.2 Ų | 63.2 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 177.4 | -64.4 | -56.7 | 105.5 | 0 | 0 | 112.3 | F284 M290 Q291 M292 | F284-E288 HydrophobicContact CD1-CB 3.86Å; F284-E288 HydrophobicContact CD2-CB 4.47Å; F284-E288 HydrophobicContact CE1-CB 4.01Å; F284-E288 HydrophobicContact CG-CB 4.1Å; F284-E288 HydrophobicContact CZ-CB 4.39Å; E288-M290 VanDerWaalsContact C-N 3.31Å; E288-M290 PolarHBondContact O-N 3.1Å; E288-Q291 PolarHBondContact O-N 3.33Å; E288-M292 VanDerWaalsContact O-CB 3.29Å; E288-M292 WeakPolarHBondContact O-CB 3.36Å; E288-M292 PolarHBondContact O-N 2.84Å |
| 289 | L | 92 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.2 | -32.9 | 176 | -179.1 | 61 | 0 | 0 | 0 | 112.4 | I277 L280 G285 D286 G287 F293 V304 V319 | I277-L289 HydrophobicContact CG1-CD1 4.46Å; L280-L289 HydrophobicContact CD1-CD1 4.42Å; L280-L289 HydrophobicContact CD1-CD2 4.19Å; L280-L289 HydrophobicContact CD2-CD1 3.9Å; G285-L289 WeakPolarHBondContact O-CB 3.48Å; G285-L289 PolarHBondContact O-N 3.45Å; D286-L289 PolarHBondContact O-N 2.94Å; G287-L289 VanDerWaalsContact C-N 3.32Å; G287-L289 PolarHBondContact O-N 3.42Å; L289-F293 HydrophobicContact CD1-CD2 3.9Å; L289-F293 HydrophobicContact CD1-CE2 3.73Å; L289-F293 VanDerWaalsContact O-CD2 3.27Å; L289-F293 WeakPolarHBondContact O-CD2 3.29Å; L289-V304 HydrophobicContact CB-CG2 3.95Å; L289-V304 HydrophobicContact CD2-CG2 3.64Å; L289-V304 HydrophobicContact CG-CG2 4.42Å; L289-V319 HydrophobicContact CD1-CG2 3.85Å; L289-V319 HydrophobicContact CD2-CG2 3.91Å; L289-V319 HydrophobicContact CG-CG2 3.57Å |
| 290 | M | 91.9 | Very high | 90.5 | Very high | 73 Ų | 73 | 58.4 Ų | 58.4 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.1 | -53 | 171.7 | -173.8 | 174.4 | 70.7 | 0 | 0 | 110.5 | D286 G287 E288 M292 F293 L294 V299 | D286-M290 PolarHBondContact O-N 3.36Å; G287-M290 WeakPolarHBondContact O-CB 2.98Å; G287-M290 PolarHBondContact O-N 2.79Å; G287-M290 VanDerWaalsContact O-N 3.09Å; E288-M290 VanDerWaalsContact C-N 3.31Å; E288-M290 PolarHBondContact O-N 3.1Å; M290-M292 VanDerWaalsContact C-N 3.27Å; M290-M292 PolarHBondContact O-N 2.81Å; M290-F293 PolarHBondContact O-N 3.23Å; M290-L294 HydrophobicContact CG-CD2 4.34Å; M290-L294 HydrophobicContact CG-CG 4.4Å; M290-L294 WeakPolarHBondContact O-CG 3.48Å; M290-L294 PolarHBondContact O-N 3.09Å; M290-V299 HydrophobicContact CG-CB 4.09Å; M290-V299 HydrophobicContact CG-CG1 3.94Å |
| 291 | Q | 91.7 | Very high | 90.3 | Very high | 122 Ų | 122 | 59.5 Ų | 59.5 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56 | -41.2 | -176.5 | -163.7 | 72.4 | -0.2 | 0 | 0 | 112.3 | G287 E288 F293 | G287-Q291 WeakPolarHBondContact O-CB 3.27Å; G287-Q291 PolarHBondContact O-N 2.73Å; E288-Q291 PolarHBondContact O-N 3.33Å; Q291-F293 VanDerWaalsContact C-N 3.28Å; Q291-F293 PolarHBondContact O-N 2.94Å |
| 292 | M | 90.8 | Very high | 90.6 | Very high | 37 Ų | 37 | 59.4 Ų | 59.4 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -27.6 | 174.8 | 172.8 | 177.1 | -87.4 | 0 | 0 | 113.8 | F284 E288 M290 M334 I339 L344 | F284-M292 HydrophobicContact CE1-CB 4.42Å; F284-M292 HydrophobicContact CE1-CE 3.46Å; F284-M292 VanDerWaalsContact CE1-CE 3.46Å; F284-M292 HydrophobicContact CE1-SD 3.8Å; F284-M292 HydrophobicContact CZ-CE 3.61Å; E288-M292 VanDerWaalsContact O-CB 3.29Å; E288-M292 WeakPolarHBondContact O-CB 3.36Å; E288-M292 PolarHBondContact O-N 2.84Å; M290-M292 VanDerWaalsContact C-N 3.27Å; M290-M292 PolarHBondContact O-N 2.81Å; M292-M334 HydrophobicContact CE-CE 4.1Å; M292-M334 HydrophobicContact CG-CE 3.5Å; M292-M334 VanDerWaalsContact CG-CE 3.5Å; M292-M334 HydrophobicContact SD-CE 3.5Å; M292-M334 VanDerWaalsContact SD-CE 3.5Å; M292-I339 HydrophobicContact CE-CD1 3.8Å; M292-L344 HydrophobicContact CE-CD1 4.33Å; M292-L344 HydrophobicContact SD-CD1 3.84Å |
| 293 | F | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -104.3 | -16.1 | -173.5 | -82.8 | -103.7 | 0 | 0 | 0 | 114.5 | L275 I277 L289 M290 Q291 F296 V299 V319 F321 A330 M334 V346 | L275-F293 HydrophobicContact CD1-CD1 4.25Å; L275-F293 HydrophobicContact CD1-CE1 3.96Å; I277-F293 HydrophobicContact CD1-CZ 4.49Å; I277-F293 HydrophobicContact CG1-CE1 4.37Å; I277-F293 HydrophobicContact CG1-CE2 4.38Å; I277-F293 HydrophobicContact CG1-CZ 3.82Å; L289-F293 HydrophobicContact CD1-CD2 3.9Å; L289-F293 HydrophobicContact CD1-CE2 3.73Å; L289-F293 VanDerWaalsContact O-CD2 3.27Å; L289-F293 WeakPolarHBondContact O-CD2 3.29Å; M290-F293 PolarHBondContact O-N 3.23Å; Q291-F293 VanDerWaalsContact C-N 3.28Å; Q291-F293 PolarHBondContact O-N 2.94Å; F293-F296 HydrophobicContact CD1-CD2 4.47Å; F293-F296 WeakPolarHBondContact O-CD2 3.13Å; F293-F296 PolarHBondContact O-N 3.34Å; F293-F296 VanDerWaalsContact O-N 3.15Å; F293-V299 HydrophobicContact CB-CG2 4.07Å; F293-V319 HydrophobicContact CB-CG1 4.01Å; F293-V319 HydrophobicContact CB-CG2 4.45Å; F293-V319 HydrophobicContact CD1-CB 4.47Å; F293-V319 HydrophobicContact CD1-CG1 4.2Å; F293-V319 HydrophobicContact CD1-CG2 4.39Å; F293-V319 HydrophobicContact CD2-CG2 4.26Å; F293-V319 HydrophobicContact CG-CG1 4.21Å; F293-V319 HydrophobicContact CG-CG2 4.1Å; F293-F321 HydrophobicContact CB-CZ 3.98Å; F293-F321 HydrophobicContact CD1-CE2 4.03Å; F293-F321 AromaticContact CD1-CZ 3.98Å; F293-F321 HydrophobicContact CD1-CZ 3.98Å; F293-F321 HydrophobicContact CG-CZ 4.5Å; F293-F321 WeakPolarHBondContact O-CZ 3.48Å; F293-A330 HydrophobicContact CD1-CB 3.9Å; F293-A330 HydrophobicContact CE1-CB 4.04Å; F293-M334 HydrophobicContact CE1-CB 4.21Å; F293-M334 HydrophobicContact CE1-CG 4.19Å; F293-M334 HydrophobicContact CE2-CE 4.49Å; F293-M334 HydrophobicContact CZ-CB 3.94Å; F293-M334 HydrophobicContact CZ-CG 4.1Å; F293-V346 HydrophobicContact CE1-CG1 4.19Å; F293-V346 HydrophobicContact CZ-CG1 4.44Å; F293-V346 HydrophobicContact CZ-CG2 4.01Å |
| 294 | L | 92.1 | Very high | 91.1 | Very high | 71 Ų | 71 | 49.9 Ų | 49.9 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -47.6 | -40.6 | 170.4 | -71.9 | 178.7 | 0 | 0 | 0 | 115.9 | M290 F296 G297 V299 | M290-L294 HydrophobicContact CG-CD2 4.34Å; M290-L294 HydrophobicContact CG-CG 4.4Å; M290-L294 WeakPolarHBondContact O-CG 3.48Å; M290-L294 PolarHBondContact O-N 3.09Å; L294-F296 PolarHBondContact O-N 2.93Å; L294-F296 VanDerWaalsContact O-N 3.08Å; L294-G297 PolarHBondContact O-N 3.19Å; L294-G297 VanDerWaalsContact O-N 3.11Å; L294-G297 VanDerWaalsContact O-O 3.04Å; L294-V299 HydrophobicContact CD2-CB 4.3Å; L294-V299 HydrophobicContact CD2-CG2 4.28Å |
| 295 | P | 93.3 | Very high | 91.3 | Very high | 101 Ų | 101 | 52.2 Ų | 52.2 | 66% | 0.656 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -65.7 | -11.7 | -178.8 | 24.1 | -34.8 | 0 | 0 | 0 | 114.8 | ||
| 296 | F | 92.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 54.8 Ų | 54.8 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -96.7 | -10 | 176.6 | -49.8 | -68 | 0 | 0 | 0 | 113.3 | F293 L294 F321 S326 A330 M334 | F293-F296 HydrophobicContact CD1-CD2 4.47Å; F293-F296 WeakPolarHBondContact O-CD2 3.13Å; F293-F296 PolarHBondContact O-N 3.34Å; F293-F296 VanDerWaalsContact O-N 3.15Å; L294-F296 PolarHBondContact O-N 2.93Å; L294-F296 VanDerWaalsContact O-N 3.08Å; F296-F321 HydrophobicContact CB-CE1 4.39Å; F296-F321 HydrophobicContact CB-CZ 4.18Å; F296-S326 WeakPolarHBondContact O-CA 3.49Å; F296-S326 WeakPolarHBondContact O-CB 3.26Å; F296-S326 PolarHBondContact O-OG 3.3Å; F296-A330 HydrophobicContact CB-CB 3.72Å; F296-A330 HydrophobicContact CD2-CB 3.91Å; F296-A330 HydrophobicContact CG-CB 3.83Å; F296-M334 HydrophobicContact CD2-CG 4.15Å; F296-M334 HydrophobicContact CE2-CG 3.33Å; F296-M334 HydrophobicContact CE2-SD 3.6Å; F296-M334 VanDerWaalsContact CE2-SD 3.6Å; F296-M334 HydrophobicContact CZ-CG 3.6Å; F296-M334 HydrophobicContact CZ-SD 3.54Å; F296-M334 VanDerWaalsContact CZ-SD 3.54Å |
| 297 | G | 89.8 | Confident | 91.3 | Very high | 21 Ų | 21 | 54 Ų | 54 | 22% | 0.216 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 151.4 | -177.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L294 V299 F321 | L294-G297 PolarHBondContact O-N 3.19Å; L294-G297 VanDerWaalsContact O-N 3.11Å; L294-G297 VanDerWaalsContact O-O 3.04Å; G297-V299 PolarHBondContact O-N 2.98Å; G297-F321 WeakPolarHBondContact O-CE1 3.34Å |
| 298 | N | 91.8 | Very high | 91.1 | Very high | 93 Ų | 93 | 63.3 Ų | 63.3 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | trans | -75.9 | 113.4 | -177.2 | 171.6 | 41.2 | 0 | 0 | 0 | 111.1 | I300 F321 D322 | N298-I300 PolarHBondContact O-N 2.87Å; N298-F321 WeakPolarHBondContact O-CA 3.45Å; N298-D322 WeakPolarHBondContact CB-OD2 3.48Å; N298-D322 PolarHBondContact ND2-OD2 3.46Å; N298-D322 PolarHBondContact O-N 3.39Å | ||
| 299 | V | 92.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 62.7 Ų | 62.7 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 111.5 | 179.5 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | M290 F293 L294 G297 V319 S320 F321 | M290-V299 HydrophobicContact CG-CB 4.09Å; M290-V299 HydrophobicContact CG-CG1 3.94Å; F293-V299 HydrophobicContact CB-CG2 4.07Å; L294-V299 HydrophobicContact CD2-CB 4.3Å; L294-V299 HydrophobicContact CD2-CG2 4.28Å; G297-V299 PolarHBondContact O-N 2.98Å; V299-V319 HydrophobicContact CG1-CG1 3.87Å; V299-V319 HydrophobicContact CG2-CG1 3.96Å; V299-S320 CarbonylContact C-O 3.46Å; V299-F321 HydrophobicContact CG2-CD1 4.13Å; V299-F321 HydrophobicContact CG2-CE1 3.66Å; V299-F321 HydrophobicContact CG2-CZ 4.05Å |
| 300 | I | 90.3 | Very high | 90.7 | Very high | 69 Ų | 69 | 66.7 Ų | 66.7 | 35% | 0.354 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -37.9 | 173.3 | -64.2 | -175.2 | 0 | 0 | 0 | 111.1 | R267 N298 S320 D322 | R267-I300 HydrophobicContact CB-CG2 3.39Å; R267-I300 WeakPolarHBondContact O-CG2 3.14Å; N298-I300 PolarHBondContact O-N 2.87Å; I300-S320 PolarHBondContact N-O 3.11Å; I300-D322 HydrophobicContact CD1-CB 3.71Å; I300-D322 HydrophobicContact CG1-CB 3.9Å |
| 301 | S | 88.2 | Confident | 90.4 | Very high | 22 Ų | 22 | 69.2 Ų | 69.2 | 15% | 0.154 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 134.8 | -178.6 | -165.7 | 0 | 0 | 0 | 0 | 113.2 | Q266 V319 S320 | Q266-S301 WeakPolarHBondContact CG-OG 3.36Å; S301-V319 CarbonylContact O-C 3.54Å; S301-V319 WeakPolarHBondContact O-CA 3.45Å; S301-S320 PolarHBondContact N-O 3.5Å; S301-S320 PolarHBondContact O-N 3.22Å |
| 302 | S | 92.3 | Very high | 90.1 | Very high | 18 Ų | 18 | 67.8 Ų | 67.8 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 152.2 | 164.7 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | D286 F318 | D286-S302 WeakPolarHBondContact O-CB 3.41Å; D286-S302 PolarHBondContact O-OG 3.45Å; S302-F318 CarbonylContact C-O 3.52Å; S302-F318 WeakPolarHBondContact CA-O 3.17Å |
| 303 | K | 92.1 | Very high | 90 | Very high | 79 Ų | 79 | 66.6 Ų | 66.6 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 110.3 | 169.2 | -165.2 | 73 | -153.4 | 151.3 | 0 | 112.5 | D286 F305 G317 F318 | D286-K303 IonicContact OD1-NZ 3.31Å; D286-K303 PolarHBondContact OD1-NZ 3.31Å; K303-F305 HydrophobicContact CB-CE2 4.42Å; K303-F305 HydrophobicContact CG-CD2 4.37Å; K303-F305 HydrophobicContact CG-CE2 3.93Å; K303-G317 CarbonylContact O-C 3.55Å; K303-G317 WeakPolarHBondContact O-CA 3.21Å; K303-F318 PolarHBondContact N-O 3.25Å; K303-F318 PolarHBondContact O-N 2.91Å |
| 304 | V | 92.9 | Very high | 89.9 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 143.7 | 164.3 | 179 | 0 | 0 | 0 | 0 | 109.7 | L280 F284 G285 L289 S313 | L280-V304 HydrophobicContact CD1-CG1 4.38Å; L280-V304 HydrophobicContact CD1-CG2 3.82Å; F284-V304 WeakPolarHBondContact O-CG1 3.5Å; G285-V304 VanDerWaalsContact C-CG2 3.5Å; G285-V304 WeakPolarHBondContact O-CG2 3.42Å; L289-V304 HydrophobicContact CB-CG2 3.95Å; L289-V304 HydrophobicContact CD2-CG2 3.64Å; L289-V304 HydrophobicContact CG-CG2 4.42Å; V304-S313 WeakPolarHBondContact CG1-OG 3.38Å |
| 305 | F | 91.1 | Very high | 89.8 | Confident | 84 Ų | 84 | 69.7 Ų | 69.7 | 37% | 0.368 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 119.5 | 175.3 | -81.5 | -111.7 | 0 | 0 | 0 | 110 | K303 K314 F316 F318 | K303-F305 HydrophobicContact CB-CE2 4.42Å; K303-F305 HydrophobicContact CG-CD2 4.37Å; K303-F305 HydrophobicContact CG-CE2 3.93Å; F305-K314 VanDerWaalsContact O-CB 3.29Å; F305-K314 WeakPolarHBondContact O-CB 3.17Å; F305-K314 WeakPolarHBondContact O-CG 3.46Å; F305-K314 PolarHBondContact O-N 2.93Å; F305-F316 HydrophobicContact CB-CD2 3.88Å; F305-F316 HydrophobicContact CB-CE2 3.4Å; F305-F316 VanDerWaalsContact CB-CE2 3.4Å; F305-F316 HydrophobicContact CB-CZ 3.81Å; F305-F316 AromaticContact CD1-CE2 3.95Å; F305-F316 HydrophobicContact CD1-CE2 3.95Å; F305-F316 HydrophobicContact CD1-CZ 4.35Å; F305-F316 HydrophobicContact CD2-CD2 4.24Å; F305-F316 AromaticContact CD2-CE2 3.89Å; F305-F316 HydrophobicContact CD2-CE2 3.89Å; F305-F316 HydrophobicContact CG-CD2 4.12Å; F305-F316 AromaticContact CG-CE2 3.45Å; F305-F316 HydrophobicContact CG-CE2 3.45Å; F305-F316 VanDerWaalsContact CG-CE2 3.45Å; F305-F316 HydrophobicContact CG-CZ 4.13Å; F305-F316 PolarHBondContact N-O 2.76Å; F305-F318 HydrophobicContact CD2-CD2 4.26Å; F305-F318 HydrophobicContact CD2-CE2 4.29Å; F305-F318 AromaticContact CE2-CD2 3.67Å; F305-F318 HydrophobicContact CE2-CD2 3.67Å; F305-F318 AromaticContact CE2-CE2 3.71Å; F305-F318 HydrophobicContact CE2-CE2 3.71Å; F305-F318 HydrophobicContact CZ-CD2 4.47Å; F305-F318 HydrophobicContact CZ-CE2 4.18Å |
| 306 | V | 90.4 | Very high | 89.8 | Confident | 87 Ų | 87 | 67.3 Ų | 67.3 | 53% | 0.527 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 152.4 | 172.2 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | Q312 | V306-Q312 CarbonylContact C-O 3.52Å; V306-Q312 WeakPolarHBondContact CA-O 3.4Å |
| 307 | D | 89.1 | Confident | 89.8 | Confident | 50 Ų | 50 | 65.1 Ų | 65.1 | 27% | 0.267 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -80 | 127.8 | 169.9 | 179.2 | -93.6 | 0 | 0 | 0 | 110 | A309 T310 N311 Q312 K314 | D307-A309 PolarHBondContact O-N 3.45Å; D307-A309 PolarHBondContact OD1-N 3.36Å; D307-A309 VanDerWaalsContact OD1-N 3.1Å; D307-T310 WeakPolarHBondContact CB-OG1 3.3Å; D307-T310 PolarHBondContact OD1-N 3.44Å; D307-T310 PolarHBondContact OD1-OG1 3.45Å; D307-N311 WeakPolarHBondContact O-CA 2.99Å; D307-N311 PolarHBondContact O-N 2.95Å; D307-Q312 PolarHBondContact N-O 3.09Å; D307-K314 HydrophobicContact CB-CD 4.38Å; D307-K314 HydrophobicContact CB-CG 4.09Å |
| 308 | R | 85.3 | Confident | 90 | Very high | 231 Ų | 231 | 65.6 Ų | 65.6 | 87% | 0.872 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -19.4 | -171.1 | -164.4 | 177.1 | -177.5 | -162.6 | 0.6 | 113.7 | ||
| 309 | A | 87.3 | Confident | 90.1 | Very high | 93 Ų | 93 | 61.1 Ų | 61.1 | 77% | 0.769 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -38.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D307 | D307-A309 PolarHBondContact O-N 3.45Å; D307-A309 PolarHBondContact OD1-N 3.36Å; D307-A309 VanDerWaalsContact OD1-N 3.1Å |
| 310 | T | 88.4 | Confident | 90.1 | Very high | 84 Ų | 84 | 60.7 Ų | 60.7 | 52% | 0.515 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -12.4 | -175.5 | 60 | 0 | 0 | 0 | 0 | 114.2 | D307 Q312 | D307-T310 WeakPolarHBondContact CB-OG1 3.3Å; D307-T310 PolarHBondContact OD1-N 3.44Å; D307-T310 PolarHBondContact OD1-OG1 3.45Å; T310-Q312 PolarHBondContact O-N 2.97Å; T310-Q312 VanDerWaalsContact O-N 3.15Å; T310-Q312 PolarHBondContact OG1-N 3.33Å |
| 311 | N | 84.2 | Confident | 90.3 | Very high | 125 Ų | 125 | 57.4 Ų | 57.4 | 67% | 0.668 | 30% | 0.295 | S | S | * | . | trans | 57.9 | 11 | -169 | -71.1 | -93.7 | 0 | 0 | 0 | 115.1 | D307 | D307-N311 WeakPolarHBondContact O-CA 2.99Å; D307-N311 PolarHBondContact O-N 2.95Å | ||
| 312 | Q | 86.2 | Confident | 90.4 | Very high | 93 Ų | 93 | 59.4 Ų | 59.4 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | trans | -82.1 | 144.6 | 179 | -57.9 | -65 | 4.1 | 0 | 0 | 111.6 | V306 D307 T310 K314 | V306-Q312 CarbonylContact C-O 3.52Å; V306-Q312 WeakPolarHBondContact CA-O 3.4Å; D307-Q312 PolarHBondContact N-O 3.09Å; T310-Q312 PolarHBondContact O-N 2.97Å; T310-Q312 VanDerWaalsContact O-N 3.15Å; T310-Q312 PolarHBondContact OG1-N 3.33Å; Q312-K314 PolarHBondContact O-N 2.89Å | ||
| 313 | S | 88.8 | Confident | 90.3 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 130 | 171.7 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | Q282 V304 C315 | Q282-S313 WeakPolarHBondContact O-CB 3.35Å; V304-S313 WeakPolarHBondContact CG1-OG 3.38Å; S313-C315 PolarHBondContact O-N 3.31Å; S313-C315 PolarHBondContact O-SG 3.27Å; S313-C315 PolarHBondContact OG-N 3.33Å; S313-C315 VanDerWaalsContact OG-N 3.15Å |
| 314 | K | 89.7 | Confident | 90.2 | Very high | 108 Ų | 108 | 61.4 Ų | 61.4 | 47% | 0.47 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 8.2 | 172.4 | -53.2 | -172.1 | 69.8 | 153.5 | 0 | 112.2 | F305 D307 Q312 F316 | F305-K314 VanDerWaalsContact O-CB 3.29Å; F305-K314 WeakPolarHBondContact O-CB 3.17Å; F305-K314 WeakPolarHBondContact O-CG 3.46Å; F305-K314 PolarHBondContact O-N 2.93Å; D307-K314 HydrophobicContact CB-CD 4.38Å; D307-K314 HydrophobicContact CB-CG 4.09Å; Q312-K314 PolarHBondContact O-N 2.89Å; K314-F316 HydrophobicContact CB-CD1 3.84Å; K314-F316 HydrophobicContact CB-CE1 3.6Å; K314-F316 HydrophobicContact CB-CZ 4.3Å; K314-F316 HydrophobicContact CD-CE1 4.31Å; K314-F316 HydrophobicContact CD-CZ 4.42Å; K314-F316 VanDerWaalsContact O-CD1 3.3Å; K314-F316 WeakPolarHBondContact O-CD1 3.34Å; K314-F316 PolarHBondContact O-N 3.49Å |
| 315 | C | 90.1 | Very high | 90.2 | Very high | 28 Ų | 28 | 63 Ų | 63 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 60.8 | 24.7 | 176.8 | -59.7 | 0 | 0 | 0 | 0 | 114 | Y278 H279 L280 S313 K342 | Y278-C315 CarbonylContact C-O 3.53Å; H279-C315 WeakPolarHBondContact CA-O 3.39Å; H279-C315 PolarHBondContact N-O 3.33Å; L280-C315 PolarHBondContact N-O 3.45Å; L280-C315 WeakPolarHBondContact O-CB 3.43Å; L280-C315 PolarHBondContact O-SG 3.17Å; S313-C315 PolarHBondContact O-N 3.31Å; S313-C315 PolarHBondContact O-SG 3.27Å; S313-C315 PolarHBondContact OG-N 3.33Å; S313-C315 VanDerWaalsContact OG-N 3.15Å; C315-K342 PolarHBondContact SG-NZ 3.47Å |
| 316 | F | 93.4 | Very high | 90.4 | Very high | 51 Ų | 51 | 59.9 Ų | 59.9 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 156.7 | 173.1 | 70.3 | -105.6 | 0 | 0 | 0 | 112.1 | F276 I277 F305 K314 | F276-F316 HydrophobicContact CE2-CB 4.3Å; F276-F316 AromaticContact CE2-CD2 3.69Å; F276-F316 HydrophobicContact CE2-CD2 3.69Å; F276-F316 HydrophobicContact CE2-CE2 4.34Å; F276-F316 HydrophobicContact CE2-CG 4.28Å; F276-F316 HydrophobicContact CZ-CD2 4.15Å; I277-F316 CarbonylContact O-C 3.54Å; I277-F316 WeakPolarHBondContact O-CA 3.44Å; I277-F316 WeakPolarHBondContact O-CB 3.22Å; F305-F316 HydrophobicContact CB-CD2 3.88Å; F305-F316 HydrophobicContact CB-CE2 3.4Å; F305-F316 VanDerWaalsContact CB-CE2 3.4Å; F305-F316 HydrophobicContact CB-CZ 3.81Å; F305-F316 AromaticContact CD1-CE2 3.95Å; F305-F316 HydrophobicContact CD1-CE2 3.95Å; F305-F316 HydrophobicContact CD1-CZ 4.35Å; F305-F316 HydrophobicContact CD2-CD2 4.24Å; F305-F316 AromaticContact CD2-CE2 3.89Å; F305-F316 HydrophobicContact CD2-CE2 3.89Å; F305-F316 HydrophobicContact CG-CD2 4.12Å; F305-F316 AromaticContact CG-CE2 3.45Å; F305-F316 HydrophobicContact CG-CE2 3.45Å; F305-F316 VanDerWaalsContact CG-CE2 3.45Å; F305-F316 HydrophobicContact CG-CZ 4.13Å; F305-F316 PolarHBondContact N-O 2.76Å; K314-F316 HydrophobicContact CB-CD1 3.84Å; K314-F316 HydrophobicContact CB-CE1 3.6Å; K314-F316 HydrophobicContact CB-CZ 4.3Å; K314-F316 HydrophobicContact CD-CE1 4.31Å; K314-F316 HydrophobicContact CD-CZ 4.42Å; K314-F316 VanDerWaalsContact O-CD1 3.3Å; K314-F316 WeakPolarHBondContact O-CD1 3.34Å; K314-F316 PolarHBondContact O-N 3.49Å |
| 317 | G | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 171.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | F276 I277 K303 | F276-G317 WeakPolarHBondContact CD2-O 3.44Å; I277-G317 PolarHBondContact N-O 2.87Å; I277-G317 PolarHBondContact O-N 2.86Å; K303-G317 CarbonylContact O-C 3.55Å; K303-G317 WeakPolarHBondContact O-CA 3.21Å |
| 318 | F | 94 | Very high | 90.7 | Very high | 31 Ų | 31 | 57 Ų | 57 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 150.4 | 175.3 | -59.7 | -92.5 | 0 | 0 | 0 | 110.5 | L275 F276 S302 K303 F305 K349 | L275-F318 VanDerWaalsContact O-CA 3.27Å; L275-F318 WeakPolarHBondContact O-CA 3.39Å; L275-F318 WeakPolarHBondContact O-CB 3.44Å; L275-F318 WeakPolarHBondContact O-CD1 3.34Å; F276-F318 HydrophobicContact CB-CD1 3.94Å; F276-F318 HydrophobicContact CB-CE1 3.88Å; F276-F318 HydrophobicContact CD1-CE1 4.12Å; F276-F318 HydrophobicContact CD1-CZ 4.48Å; F276-F318 AromaticContact CD2-CD1 3.54Å; F276-F318 HydrophobicContact CD2-CD1 3.54Å; F276-F318 HydrophobicContact CD2-CD2 4.23Å; F276-F318 AromaticContact CD2-CE1 3.22Å; F276-F318 HydrophobicContact CD2-CE1 3.22Å; F276-F318 AromaticContact CD2-CE2 3.96Å; F276-F318 HydrophobicContact CD2-CE2 3.96Å; F276-F318 HydrophobicContact CD2-CG 4.05Å; F276-F318 AromaticContact CD2-CZ 3.46Å; F276-F318 HydrophobicContact CD2-CZ 3.46Å; F276-F318 VanDerWaalsContact CD2-CZ 3.46Å; F276-F318 HydrophobicContact CE1-CE1 4.46Å; F276-F318 HydrophobicContact CE1-CZ 4.38Å; F276-F318 HydrophobicContact CE2-CD1 4.28Å; F276-F318 HydrophobicContact CE2-CD2 4.32Å; F276-F318 AromaticContact CE2-CE1 3.67Å; F276-F318 HydrophobicContact CE2-CE1 3.67Å; F276-F318 AromaticContact CE2-CE2 3.71Å; F276-F318 HydrophobicContact CE2-CE2 3.71Å; F276-F318 AromaticContact CE2-CZ 3.35Å; F276-F318 HydrophobicContact CE2-CZ 3.35Å; F276-F318 AromaticContact CG-CD1 3.95Å; F276-F318 HydrophobicContact CG-CD1 3.95Å; F276-F318 AromaticContact CG-CE1 3.5Å; F276-F318 HydrophobicContact CG-CE1 3.5Å; F276-F318 VanDerWaalsContact CG-CE1 3.5Å; F276-F318 HydrophobicContact CG-CZ 4.07Å; F276-F318 HydrophobicContact CZ-CE1 4.28Å; F276-F318 HydrophobicContact CZ-CE2 4.48Å; F276-F318 AromaticContact CZ-CZ 3.86Å; F276-F318 HydrophobicContact CZ-CZ 3.86Å; S302-F318 CarbonylContact C-O 3.52Å; S302-F318 WeakPolarHBondContact CA-O 3.17Å; K303-F318 PolarHBondContact N-O 3.25Å; K303-F318 PolarHBondContact O-N 2.91Å; F305-F318 HydrophobicContact CD2-CD2 4.26Å; F305-F318 HydrophobicContact CD2-CE2 4.29Å; F305-F318 AromaticContact CE2-CD2 3.67Å; F305-F318 HydrophobicContact CE2-CD2 3.67Å; F305-F318 AromaticContact CE2-CE2 3.71Å; F305-F318 HydrophobicContact CE2-CE2 3.71Å; F305-F318 HydrophobicContact CZ-CD2 4.47Å; F305-F318 HydrophobicContact CZ-CE2 4.18Å; F318-K349 HydrophobicContact CD1-CB 4.45Å; F318-K349 HydrophobicContact CD1-CD 3.79Å; F318-K349 HydrophobicContact CD1-CG 4.14Å; F318-K349 HydrophobicContact CE1-CD 3.82Å; F318-K349 HydrophobicContact CE1-CG 3.91Å |
| 319 | V | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.8 | 169.6 | 174 | 0 | 0 | 0 | 0 | 107.9 | L275 I277 L289 F293 V299 S301 F321 | L275-V319 HydrophobicContact CB-CB 4.46Å; L275-V319 WeakPolarHBondContact CB-O 3.47Å; L275-V319 PolarHBondContact N-O 2.85Å; L275-V319 PolarHBondContact O-N 3.45Å; L275-V319 VanDerWaalsContact O-N 3.16Å; I277-V319 HydrophobicContact CD1-CB 3.93Å; I277-V319 HydrophobicContact CD1-CG2 3.7Å; L289-V319 HydrophobicContact CD1-CG2 3.85Å; L289-V319 HydrophobicContact CD2-CG2 3.91Å; L289-V319 HydrophobicContact CG-CG2 3.57Å; F293-V319 HydrophobicContact CB-CG1 4.01Å; F293-V319 HydrophobicContact CB-CG2 4.45Å; F293-V319 HydrophobicContact CD1-CB 4.47Å; F293-V319 HydrophobicContact CD1-CG1 4.2Å; F293-V319 HydrophobicContact CD1-CG2 4.39Å; F293-V319 HydrophobicContact CD2-CG2 4.26Å; F293-V319 HydrophobicContact CG-CG1 4.21Å; F293-V319 HydrophobicContact CG-CG2 4.1Å; V299-V319 HydrophobicContact CG1-CG1 3.87Å; V299-V319 HydrophobicContact CG2-CG1 3.96Å; S301-V319 CarbonylContact O-C 3.54Å; S301-V319 WeakPolarHBondContact O-CA 3.45Å; V319-F321 HydrophobicContact CG1-CD2 4.12Å; V319-F321 HydrophobicContact CG1-CE2 3.72Å; V319-F321 HydrophobicContact CG1-CZ 4.16Å |
| 320 | S | 92.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 116.3 | -179.3 | -64.2 | 0 | 0 | 0 | 0 | 108.7 | N274 V299 I300 S301 | N274-S320 VanDerWaalsContact OD1-CB 3.22Å; N274-S320 WeakPolarHBondContact OD1-CB 3.36Å; N274-S320 PolarHBondContact OD1-OG 3Å; V299-S320 CarbonylContact C-O 3.46Å; I300-S320 PolarHBondContact N-O 3.11Å; S301-S320 PolarHBondContact N-O 3.5Å; S301-S320 PolarHBondContact O-N 3.22Å |
| 321 | F | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 165.1 | 172.1 | -73.6 | -84.2 | 0 | 0 | 0 | 111.5 | G269 C273 L275 F293 F296 G297 N298 V299 V319 A327 A330 | G269-F321 WeakPolarHBondContact CA-O 3.37Å; C273-F321 HydrophobicContact CB-CB 4.45Å; C273-F321 VanDerWaalsContact CB-O 3.26Å; C273-F321 WeakPolarHBondContact CB-O 3.47Å; C273-F321 PolarHBondContact O-N 2.77Å; L275-F321 HydrophobicContact CD1-CD2 4.18Å; L275-F321 HydrophobicContact CD1-CE2 3.7Å; L275-F321 HydrophobicContact CG-CD2 4.38Å; L275-F321 HydrophobicContact CG-CE2 4.37Å; F293-F321 HydrophobicContact CB-CZ 3.98Å; F293-F321 HydrophobicContact CD1-CE2 4.03Å; F293-F321 AromaticContact CD1-CZ 3.98Å; F293-F321 HydrophobicContact CD1-CZ 3.98Å; F293-F321 HydrophobicContact CG-CZ 4.5Å; F293-F321 WeakPolarHBondContact O-CZ 3.48Å; F296-F321 HydrophobicContact CB-CE1 4.39Å; F296-F321 HydrophobicContact CB-CZ 4.18Å; G297-F321 WeakPolarHBondContact O-CE1 3.34Å; N298-F321 WeakPolarHBondContact O-CA 3.45Å; V299-F321 HydrophobicContact CG2-CD1 4.13Å; V299-F321 HydrophobicContact CG2-CE1 3.66Å; V299-F321 HydrophobicContact CG2-CZ 4.05Å; V319-F321 HydrophobicContact CG1-CD2 4.12Å; V319-F321 HydrophobicContact CG1-CE2 3.72Å; V319-F321 HydrophobicContact CG1-CZ 4.16Å; F321-A327 HydrophobicContact CB-CB 4.4Å; F321-A327 HydrophobicContact CD2-CB 3.94Å; F321-A327 HydrophobicContact CG-CB 4.47Å; F321-A330 HydrophobicContact CE2-CB 3.74Å; F321-A330 HydrophobicContact CZ-CB 3.83Å |
| 322 | D | 90.6 | Very high | 92.2 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 34% | 0.342 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -79.2 | -27.9 | 170.2 | 62.2 | -12 | 0 | 0 | 0 | 114 | N298 I300 | N298-D322 WeakPolarHBondContact CB-OD2 3.48Å; N298-D322 PolarHBondContact ND2-OD2 3.46Å; N298-D322 PolarHBondContact O-N 3.39Å; I300-D322 HydrophobicContact CD1-CB 3.71Å; I300-D322 HydrophobicContact CG1-CB 3.9Å |
| 323 | N | 90.5 | Very high | 92.4 | Very high | 76 Ų | 76 | 40.9 Ų | 40.9 | 41% | 0.406 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -128.9 | 134.7 | -172.3 | 163.8 | 57.9 | 0 | 0 | 0 | 111.5 | G325 S326 A327 | N323-G325 VanDerWaalsContact C-N 3.28Å; N323-G325 PolarHBondContact ND2-N 3.26Å; N323-G325 PolarHBondContact O-N 3.03Å; N323-S326 PolarHBondContact ND2-N 2.96Å; N323-S326 VanDerWaalsContact ND2-N 3.19Å; N323-S326 PolarHBondContact ND2-OG 3.4Å; N323-S326 VanDerWaalsContact ND2-OG 3.16Å; N323-S326 WeakPolarHBondContact O-CB 3.31Å; N323-S326 PolarHBondContact O-N 3.05Å; N323-S326 VanDerWaalsContact O-N 3.17Å; N323-A327 PolarHBondContact O-N 2.94Å |
| 324 | P | 89.8 | Confident | 92.6 | Very high | 63 Ų | 63 | 40.9 Ų | 40.9 | 41% | 0.409 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.4 | -26.4 | -176.8 | 26.4 | -34.1 | 0 | 0 | 0 | 112.7 | C273 S326 A327 Q328 | C273-P324 WeakPolarHBondContact SG-CD 3.5Å; P324-S326 VanDerWaalsContact C-N 3.31Å; P324-S326 PolarHBondContact O-N 2.92Å; P324-A327 PolarHBondContact O-N 3.11Å; P324-Q328 WeakPolarHBondContact O-CG 3.39Å; P324-Q328 PolarHBondContact O-N 3.26Å |
| 325 | G | 93.3 | Very high | 92.8 | Very high | 42 Ų | 42 | 39.4 Ų | 39.4 | 43% | 0.433 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.6 | -39.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N323 Q328 A329 | N323-G325 VanDerWaalsContact C-N 3.28Å; N323-G325 PolarHBondContact ND2-N 3.26Å; N323-G325 PolarHBondContact O-N 3.03Å; G325-Q328 PolarHBondContact O-N 3.08Å; G325-A329 PolarHBondContact O-N 2.88Å |
| 326 | S | 94.1 | Very high | 92.8 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 12% | 0.119 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 176 | -61.8 | 0 | 0 | 0 | 0 | 112 | F296 N323 P324 Q328 A329 A330 | F296-S326 WeakPolarHBondContact O-CA 3.49Å; F296-S326 WeakPolarHBondContact O-CB 3.26Å; F296-S326 PolarHBondContact O-OG 3.3Å; N323-S326 PolarHBondContact ND2-N 2.96Å; N323-S326 VanDerWaalsContact ND2-N 3.19Å; N323-S326 PolarHBondContact ND2-OG 3.4Å; N323-S326 VanDerWaalsContact ND2-OG 3.16Å; N323-S326 WeakPolarHBondContact O-CB 3.31Å; N323-S326 PolarHBondContact O-N 3.05Å; N323-S326 VanDerWaalsContact O-N 3.17Å; P324-S326 VanDerWaalsContact C-N 3.31Å; P324-S326 PolarHBondContact O-N 2.92Å; S326-Q328 VanDerWaalsContact C-N 3.34Å; S326-Q328 PolarHBondContact O-N 3.15Å; S326-A329 PolarHBondContact O-N 3.38Å; S326-A330 WeakPolarHBondContact O-CB 3.2Å; S326-A330 PolarHBondContact O-N 3.16Å |
| 327 | A | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L275 F321 N323 P324 I331 | L275-A327 HydrophobicContact CD2-CB 3.92Å; L275-A327 HydrophobicContact CG-CB 4.28Å; F321-A327 HydrophobicContact CB-CB 4.4Å; F321-A327 HydrophobicContact CD2-CB 3.94Å; F321-A327 HydrophobicContact CG-CB 4.47Å; N323-A327 PolarHBondContact O-N 2.94Å; P324-A327 PolarHBondContact O-N 3.11Å; A327-I331 VanDerWaalsContact O-CG1 3.3Å; A327-I331 WeakPolarHBondContact O-CG1 3.29Å; A327-I331 PolarHBondContact O-N 3.2Å |
| 328 | Q | 93.2 | Very high | 92.6 | Very high | 78 Ų | 78 | 46.5 Ų | 46.5 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.3 | -43 | 175.8 | -69.4 | -66.9 | -13 | 0 | 0 | 112.8 | P324 G325 S326 A330 I331 Q332 | P324-Q328 WeakPolarHBondContact O-CG 3.39Å; P324-Q328 PolarHBondContact O-N 3.26Å; G325-Q328 PolarHBondContact O-N 3.08Å; S326-Q328 VanDerWaalsContact C-N 3.34Å; S326-Q328 PolarHBondContact O-N 3.15Å; Q328-A330 VanDerWaalsContact C-N 3.32Å; Q328-A330 PolarHBondContact O-N 2.97Å; Q328-I331 PolarHBondContact O-N 3.49Å; Q328-Q332 WeakPolarHBondContact O-CG 3.35Å; Q328-Q332 PolarHBondContact O-N 3.47Å |
| 329 | A | 94 | Very high | 92.1 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 31% | 0.306 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | G325 S326 Q332 S333 | G325-A329 PolarHBondContact O-N 2.88Å; S326-A329 PolarHBondContact O-N 3.38Å; A329-Q332 PolarHBondContact O-N 3.33Å; A329-S333 WeakPolarHBondContact O-CB 3.35Å; A329-S333 PolarHBondContact O-N 3.33Å; A329-S333 PolarHBondContact O-OG 3.32Å |
| 330 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L275 F293 F296 F321 S326 Q328 M334 | L275-A330 HydrophobicContact CD1-CB 3.83Å; F293-A330 HydrophobicContact CD1-CB 3.9Å; F293-A330 HydrophobicContact CE1-CB 4.04Å; F296-A330 HydrophobicContact CB-CB 3.72Å; F296-A330 HydrophobicContact CD2-CB 3.91Å; F296-A330 HydrophobicContact CG-CB 3.83Å; F321-A330 HydrophobicContact CE2-CB 3.74Å; F321-A330 HydrophobicContact CZ-CB 3.83Å; S326-A330 WeakPolarHBondContact O-CB 3.2Å; S326-A330 PolarHBondContact O-N 3.16Å; Q328-A330 VanDerWaalsContact C-N 3.32Å; Q328-A330 PolarHBondContact O-N 2.97Å; A330-M334 WeakPolarHBondContact O-CA 3.48Å; A330-M334 WeakPolarHBondContact O-CB 3.27Å; A330-M334 PolarHBondContact O-N 3.19Å |
| 331 | I | 94.4 | Very high | 91.3 | Very high | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.138 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 172.8 | -70.9 | 160.3 | 0 | 0 | 0 | 110.3 | L275 A327 Q328 S333 N335 V346 L348 | L275-I331 HydrophobicContact CD1-CG1 4.4Å; L275-I331 HydrophobicContact CD2-CD1 3.56Å; L275-I331 HydrophobicContact CD2-CG1 3.64Å; A327-I331 VanDerWaalsContact O-CG1 3.3Å; A327-I331 WeakPolarHBondContact O-CG1 3.29Å; A327-I331 PolarHBondContact O-N 3.2Å; Q328-I331 PolarHBondContact O-N 3.49Å; I331-S333 VanDerWaalsContact C-N 3.28Å; I331-S333 PolarHBondContact O-N 3.31Å; I331-N335 HydrophobicContact CG2-CB 4.33Å; I331-N335 WeakPolarHBondContact O-CB 3.4Å; I331-N335 PolarHBondContact O-N 2.82Å; I331-V346 HydrophobicContact CG1-CG1 3.95Å; I331-L348 HydrophobicContact CD1-CD2 3.85Å; I331-L348 HydrophobicContact CD1-CG 3.85Å |
| 332 | Q | 93.8 | Very high | 91.1 | Very high | 157 Ų | 157 | 62.7 Ų | 62.7 | 73% | 0.734 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63 | -32.9 | -175.8 | -70 | 175.5 | 27.3 | 0 | 0 | 113.2 | Q328 A329 | Q328-Q332 WeakPolarHBondContact O-CG 3.35Å; Q328-Q332 PolarHBondContact O-N 3.47Å; A329-Q332 PolarHBondContact O-N 3.33Å |
| 333 | S | 91.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 66.1 Ų | 66.1 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -92.6 | -33.8 | -176.5 | -49.9 | 0 | 0 | 0 | 0 | 113.6 | A329 I331 | A329-S333 WeakPolarHBondContact O-CB 3.35Å; A329-S333 PolarHBondContact O-N 3.33Å; A329-S333 PolarHBondContact O-OG 3.32Å; I331-S333 VanDerWaalsContact C-N 3.28Å; I331-S333 PolarHBondContact O-N 3.31Å |
| 334 | M | 92.4 | Very high | 91.3 | Very high | 11 Ų | 11 | 62.7 Ų | 62.7 | 5% | 0.054 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -105 | -20.1 | -172.6 | -58.7 | -59.4 | -65.2 | 0 | 0 | 114 | M292 F293 F296 A330 G336 F337 L344 V346 | M292-M334 HydrophobicContact CE-CE 4.1Å; M292-M334 HydrophobicContact CG-CE 3.5Å; M292-M334 VanDerWaalsContact CG-CE 3.5Å; M292-M334 HydrophobicContact SD-CE 3.5Å; M292-M334 VanDerWaalsContact SD-CE 3.5Å; F293-M334 HydrophobicContact CE1-CB 4.21Å; F293-M334 HydrophobicContact CE1-CG 4.19Å; F293-M334 HydrophobicContact CE2-CE 4.49Å; F293-M334 HydrophobicContact CZ-CB 3.94Å; F293-M334 HydrophobicContact CZ-CG 4.1Å; F296-M334 HydrophobicContact CD2-CG 4.15Å; F296-M334 HydrophobicContact CE2-CG 3.33Å; F296-M334 HydrophobicContact CE2-SD 3.6Å; F296-M334 VanDerWaalsContact CE2-SD 3.6Å; F296-M334 HydrophobicContact CZ-CG 3.6Å; F296-M334 HydrophobicContact CZ-SD 3.54Å; F296-M334 VanDerWaalsContact CZ-SD 3.54Å; A330-M334 WeakPolarHBondContact O-CA 3.48Å; A330-M334 WeakPolarHBondContact O-CB 3.27Å; A330-M334 PolarHBondContact O-N 3.19Å; M334-G336 PolarHBondContact O-N 3.46Å; M334-F337 HydrophobicContact CE-CB 4.21Å; M334-F337 HydrophobicContact CE-CD1 3.97Å; M334-F337 HydrophobicContact CE-CG 3.97Å; M334-F337 VanDerWaalsContact O-CB 3.31Å; M334-F337 WeakPolarHBondContact O-CB 3.17Å; M334-F337 PolarHBondContact O-N 3.43Å; M334-F337 VanDerWaalsContact O-N 3.09Å; M334-F337 HydrophobicContact SD-CB 4.48Å; M334-F337 HydrophobicContact SD-CD2 4.44Å; M334-F337 HydrophobicContact SD-CG 4.36Å; M334-L344 HydrophobicContact CE-CD1 4.01Å; M334-V346 HydrophobicContact CB-CG2 3.86Å |
| 335 | N | 93.1 | Very high | 91.5 | Very high | 76 Ų | 76 | 64.1 Ų | 64.1 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 116 | 171.7 | -173.2 | 43.8 | 0 | 0 | 0 | 109.5 | I331 K345 V346 | I331-N335 HydrophobicContact CG2-CB 4.33Å; I331-N335 WeakPolarHBondContact O-CB 3.4Å; I331-N335 PolarHBondContact O-N 2.82Å; N335-K345 WeakPolarHBondContact OD1-CA 3.49Å; N335-V346 HydrophobicContact CB-CB 3.98Å; N335-V346 PolarHBondContact OD1-N 3.15Å; N335-V346 PolarHBondContact OD1-O 3.07Å |
| 336 | G | 90.8 | Very high | 91.6 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -0.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M334 R343 L344 | M334-G336 PolarHBondContact O-N 3.46Å; G336-R343 VanDerWaalsContact C-CG 3.45Å; G336-R343 VanDerWaalsContact O-CD 3.26Å; G336-R343 WeakPolarHBondContact O-CD 3.49Å; G336-R343 WeakPolarHBondContact O-CG 3.44Å; G336-R343 PolarHBondContact O-NH1 3.42Å; G336-L344 WeakPolarHBondContact CA-O 3.41Å; G336-L344 PolarHBondContact N-O 3.45Å |
| 337 | F | 91.7 | Very high | 91.5 | Very high | 92 Ų | 92 | 64.6 Ų | 64.6 | 40% | 0.404 | 34% | 0.337 | S | S | . | . | trans | -64.2 | 135.3 | 174.4 | -174.7 | -95.5 | 0 | 0 | 0 | 110.9 | M334 I339 R343 L344 | M334-F337 HydrophobicContact CE-CB 4.21Å; M334-F337 HydrophobicContact CE-CD1 3.97Å; M334-F337 HydrophobicContact CE-CG 3.97Å; M334-F337 VanDerWaalsContact O-CB 3.31Å; M334-F337 WeakPolarHBondContact O-CB 3.17Å; M334-F337 PolarHBondContact O-N 3.43Å; M334-F337 VanDerWaalsContact O-N 3.09Å; M334-F337 HydrophobicContact SD-CB 4.48Å; M334-F337 HydrophobicContact SD-CD2 4.44Å; M334-F337 HydrophobicContact SD-CG 4.36Å; F337-I339 HydrophobicContact CD1-CB 4.49Å; F337-I339 HydrophobicContact CE1-CB 4.36Å; F337-R343 CarbonylContact O-C 3.53Å; F337-R343 WeakPolarHBondContact O-CA 3.45Å; F337-L344 HydrophobicContact CB-CD1 4.41Å; F337-L344 HydrophobicContact CD1-CD1 4.09Å; F337-L344 PolarHBondContact O-N 3.43Å | ||
| 338 | Q | 90.1 | Very high | 91.4 | Very high | 108 Ų | 108 | 68.1 Ų | 68.1 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.4 | -177.8 | -177.3 | 168.6 | -18 | 0 | 0 | 110.9 | G340 K342 | Q338-G340 PolarHBondContact NE2-O 3.49Å; Q338-K342 WeakPolarHBondContact CA-O 3.26Å |
| 339 | I | 85.3 | Confident | 91.1 | Very high | 37 Ų | 37 | 67.3 Ų | 67.3 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 112.7 | 178.5 | -172.4 | 160 | 0 | 0 | 0 | 109.5 | P281 F284 M292 F337 M341 K342 L344 | P281-I339 HydrophobicContact CG-CB 4.44Å; P281-I339 HydrophobicContact CG-CD1 3.62Å; P281-I339 HydrophobicContact CG-CG1 3.74Å; P281-I339 HydrophobicContact CG-CG2 3.87Å; F284-I339 HydrophobicContact CE1-CD1 4.38Å; F284-I339 HydrophobicContact CE2-CD1 3.7Å; F284-I339 HydrophobicContact CZ-CD1 3.59Å; M292-I339 HydrophobicContact CE-CD1 3.8Å; F337-I339 HydrophobicContact CD1-CB 4.49Å; F337-I339 HydrophobicContact CE1-CB 4.36Å; I339-M341 PolarHBondContact O-N 3.31Å; I339-K342 PolarHBondContact N-O 3.48Å; I339-K342 PolarHBondContact O-N 3.41Å; I339-L344 HydrophobicContact CG2-CD1 4.45Å; I339-L344 HydrophobicContact CG2-CD2 3.78Å; I339-L344 HydrophobicContact CG2-CG 3.9Å |
| 340 | G | 83.7 | Confident | 90.5 | Very high | 64 Ų | 64 | 75.7 Ų | 75.7 | 66% | 0.66 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | -127.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q338 K342 | Q338-G340 PolarHBondContact NE2-O 3.49Å; G340-K342 VanDerWaalsContact C-N 3.34Å |
| 341 | M | 85 | Confident | 89.5 | Confident | 197 Ų | 197 | 79.8 Ų | 79.8 | 97% | 0.97 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -0.7 | 177.7 | -60.5 | -174.4 | -70.6 | 0 | 0 | 114.1 | I339 | I339-M341 PolarHBondContact O-N 3.31Š|
| 342 | K | 87.8 | Confident | 88 | Confident | 76 Ų | 76 | 87.7 Ų | 87.7 | 33% | 0.33 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 152 | -172.5 | -64.9 | 171.6 | 75.9 | -179 | 0 | 110.9 | H279 L280 C315 Q338 I339 G340 | H279-K342 WeakPolarHBondContact O-CE 3.48Å; L280-K342 PolarHBondContact O-NZ 3.29Å; C315-K342 PolarHBondContact SG-NZ 3.47Å; Q338-K342 WeakPolarHBondContact CA-O 3.26Å; I339-K342 PolarHBondContact N-O 3.48Å; I339-K342 PolarHBondContact O-N 3.41Å; G340-K342 VanDerWaalsContact C-N 3.34Å |
| 343 | R | 91.5 | Very high | 86.4 | Confident | 137 Ų | 137 | 86.6 Ų | 86.6 | 52% | 0.517 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 117.7 | 176.1 | -164.8 | 178.5 | -64.6 | -77.1 | -5.1 | 109.7 | H279 G336 F337 | H279-R343 WeakPolarHBondContact CB-O 3.38Å; H279-R343 PolarHBondContact ND1-O 2.91Å; G336-R343 VanDerWaalsContact C-CG 3.45Å; G336-R343 VanDerWaalsContact O-CD 3.26Å; G336-R343 WeakPolarHBondContact O-CD 3.49Å; G336-R343 WeakPolarHBondContact O-CG 3.44Å; G336-R343 PolarHBondContact O-NH1 3.42Å; F337-R343 CarbonylContact O-C 3.53Å; F337-R343 WeakPolarHBondContact O-CA 3.45Å |
| 344 | L | 94.3 | Very high | 84.7 | Confident | 3 Ų | 3 | 87.3 Ų | 87.3 | 2% | 0.016 | 44% | 0.443 | C | S | . | . | trans | -60.2 | 139.9 | 179.4 | -62.7 | -174.5 | 0 | 0 | 0 | 110.3 | L280 M292 M334 G336 F337 I339 | L280-L344 HydrophobicContact CD2-CD2 3.96Å; M292-L344 HydrophobicContact CE-CD1 4.33Å; M292-L344 HydrophobicContact SD-CD1 3.84Å; M334-L344 HydrophobicContact CE-CD1 4.01Å; G336-L344 WeakPolarHBondContact CA-O 3.41Å; G336-L344 PolarHBondContact N-O 3.45Å; F337-L344 HydrophobicContact CB-CD1 4.41Å; F337-L344 HydrophobicContact CD1-CD1 4.09Å; F337-L344 PolarHBondContact O-N 3.43Å; I339-L344 HydrophobicContact CG2-CD1 4.45Å; I339-L344 HydrophobicContact CG2-CD2 3.78Å; I339-L344 HydrophobicContact CG2-CG 3.9Å | ||
| 345 | K | 93.9 | Very high | 82.7 | Confident | 94 Ų | 94 | 92.9 Ų | 92.9 | 41% | 0.409 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 111.4 | 172 | -169.8 | -172.3 | -173.2 | -168 | 0 | 108.9 | I277 Y278 N335 Q347 | I277-K345 WeakPolarHBondContact CA-O 3.15Å; Y278-K345 PolarHBondContact N-O 3.3Å; Y278-K345 PolarHBondContact O-N 3.24Å; Y278-K345 VanDerWaalsContact O-N 3.08Å; N335-K345 WeakPolarHBondContact OD1-CA 3.49Å; K345-Q347 VanDerWaalsContact CE-CD 3.5Å; K345-Q347 HydrophobicContact CG-CG 4.49Å |
| 346 | V | 94.6 | Very high | 80.5 | Confident | 1 Ų | 1 | 99.3 Ų | 99.3 | 1% | 0.006 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.6 | -174.7 | -176 | 0 | 0 | 0 | 0 | 108.4 | L275 I277 F293 I331 M334 N335 | L275-V346 HydrophobicContact CB-CG1 4.47Å; L275-V346 HydrophobicContact CD1-CG1 3.79Å; I277-V346 HydrophobicContact CG1-CG1 4.27Å; I277-V346 HydrophobicContact CG1-CG2 4.12Å; I277-V346 HydrophobicContact CG2-CG2 4.09Å; F293-V346 HydrophobicContact CE1-CG1 4.19Å; F293-V346 HydrophobicContact CZ-CG1 4.44Å; F293-V346 HydrophobicContact CZ-CG2 4.01Å; I331-V346 HydrophobicContact CG1-CG1 3.95Å; M334-V346 HydrophobicContact CB-CG2 3.86Å; N335-V346 HydrophobicContact CB-CB 3.98Å; N335-V346 PolarHBondContact OD1-N 3.15Å; N335-V346 PolarHBondContact OD1-O 3.07Å |
| 347 | Q | 92.8 | Very high | 78.9 | Confident | 67 Ų | 67 | 103.7 Ų | 103.7 | 31% | 0.313 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 161.5 | -177.1 | -68.1 | 155.5 | 118.7 | 0 | 0 | 109.3 | L275 F276 Y278 K345 | L275-Q347 CarbonylContact C-O 3.46Å; L275-Q347 WeakPolarHBondContact CA-O 3.35Å; F276-Q347 PolarHBondContact N-O 2.85Å; F276-Q347 PolarHBondContact O-N 3.01Å; Y278-Q347 VanDerWaalsContact CE2-NE2 3.31Å; K345-Q347 VanDerWaalsContact CE-CD 3.5Å; K345-Q347 HydrophobicContact CG-CG 4.49Å |
| 348 | L | 91.8 | Very high | 76.8 | Confident | 74 Ų | 74 | 113.8 Ų | 113.8 | 39% | 0.387 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -61.9 | 138.9 | 164.5 | -69.5 | 175.2 | 0 | 0 | 0 | 110.5 | G272 L275 I331 | G272-L348 WeakPolarHBondContact O-CD2 3.47Å; L275-L348 HydrophobicContact CD2-CD2 4Å; I331-L348 HydrophobicContact CD1-CD2 3.85Å; I331-L348 HydrophobicContact CD1-CG 3.85Å |
| 349 | K | 86.6 | Confident | 76.2 | Confident | 62 Ų | 62 | 114.1 Ų | 114.1 | 27% | 0.27 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 129.9 | 166.2 | -177.7 | -179.6 | -177.7 | -177.6 | 0 | 108.1 | E268 N274 F318 | E268-K349 IonicContact OE1-NZ 2.62Å; E268-K349 PolarHBondContact OE1-NZ 3.41Å; E268-K349 IonicContact OE2-NZ 2.72Å; E268-K349 PolarHBondContact OE2-NZ 3.42Å; N274-K349 HydrophobicContact CB-CB 3.92Å; N274-K349 HydrophobicContact CB-CD 4.13Å; N274-K349 WeakPolarHBondContact O-CB 3.48Å; N274-K349 PolarHBondContact O-N 3.4Å; F318-K349 HydrophobicContact CD1-CB 4.45Å; F318-K349 HydrophobicContact CD1-CD 3.79Å; F318-K349 HydrophobicContact CD1-CG 4.14Å; F318-K349 HydrophobicContact CE1-CD 3.82Å; F318-K349 HydrophobicContact CE1-CG 3.91Å |
| 350 | R | 80.9 | Confident | 75.7 | Confident | 212 Ų | 212 | 118.2 Ų | 118.2 | 80% | 0.8 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 137.3 | 175.4 | -65.6 | -177.7 | 179.6 | -179.1 | -1.5 | 109.9 | ||
| 351 | P | 73 | Confident | 75.2 | Confident | 86 Ų | 86 | 121.2 Ų | 121.2 | 56% | 0.558 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 145.6 | 172.7 | 27.2 | -33.9 | 0 | 0 | 0 | 110 | D353 A354 | P351-D353 PolarHBondContact O-N 3.29Å; P351-A354 HydrophobicContact CG-CB 4.1Å; P351-A354 PolarHBondContact O-N 3.45Å |
| 352 | K | 63 | Low | 74.7 | Confident | 194 Ų | 194 | 116.7 Ų | 116.7 | 84% | 0.843 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -66.6 | -28.8 | -168.7 | -162.9 | 172.8 | -177.5 | 178.4 | 0 | 112.8 | ||
| 353 | D | 60.6 | Low | 73.8 | Confident | 134 Ų | 134 | 119.3 Ų | 119.3 | 72% | 0.717 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -78 | -21.7 | -174.9 | -53.7 | -87.5 | 0 | 0 | 0 | 112.9 | P351 N355 | P351-D353 PolarHBondContact O-N 3.29Å; D353-N355 PolarHBondContact O-N 3.36Å |
| 354 | A | 56.2 | Low | 72.7 | Confident | 80 Ų | 80 | 118.1 Ų | 118.1 | 66% | 0.661 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -72.9 | 11.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P351 | P351-A354 HydrophobicContact CG-CB 4.1Å; P351-A354 PolarHBondContact O-N 3.45Å |
| 355 | N | 50.2 | Low | 71.1 | Confident | 128 Ų | 128 | 126.3 Ų | 126.3 | 68% | 0.684 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -126.5 | 24 | -178.4 | -154.4 | 98.8 | 0 | 0 | 0 | 112.9 | D353 P357 | D353-N355 PolarHBondContact O-N 3.36Å; N355-P357 WeakPolarHBondContact O-CD 3.35Å |
| 356 | R | 45.9 | Very low | 69.4 | Low | 212 Ų | 212 | 128.8 Ų | 128.8 | 80% | 0.8 | 62% | 0.616 | S | S | * | * | trans | -102.1 | 101.1 | 161.4 | -73 | -174.8 | 178 | 179.2 | 0.5 | 109.4 | ||||
| 357 | P | 57.7 | Low | 67.3 | Low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 67% | 0.667 | S | S | * | * | trans | -58.2 | 141.2 | 148.4 | 29.3 | -33.2 | 0 | 0 | 0 | 108.2 | N355 | N355-P357 WeakPolarHBondContact O-CD 3.35Š| ||
| 358 | Y | 48.6 | Very low | 64.9 | Low | 304 Ų | 304 | 146 Ų | 146 | 100% | 1.192 | 70% | 0.699 | S | S | * | * | trans | -76.9 | 0 | 174.3 | -110.2 | -87.6 | 0 | 0 | 0 | 111 |
Retrieved 358 of 358 residues in 465.4 ms
(Link to these results)