| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.5 | Very low | 68.4 | Low | 229 Ų | 229 | 138 Ų | 138 | 100% | 1.128 | 66% | 0.655 | S | S | * | * | 0 | 73 | 0 | -73.5 | -171.7 | 179.4 | 0 | 0 | 108.7 | |||||
| 2 | E | 42.7 | Very low | 70.3 | Confident | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.762 | 61% | 0.613 | S | S | * | * | trans | -99.7 | -1.9 | -156.2 | -75.7 | 106.5 | 137.9 | 0 | 0 | 118.4 | K4 | E2-K4 VanDerWaalsContact C-N 3.26Å; E2-K4 PolarHBondContact O-N 3.33Å | ||
| 3 | H | 54.7 | Low | 71.9 | Confident | 189 Ų | 189 | 124.7 Ų | 124.7 | 88% | 0.875 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 16 | -172.7 | -77.3 | -59.8 | 0 | 0 | 0 | 117.1 | ||
| 4 | K | 50.9 | Low | 73.2 | Confident | 172 Ų | 172 | 123.4 Ų | 123.4 | 75% | 0.748 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -8 | 177.3 | -87.2 | -169.4 | 172.4 | -174.9 | 0 | 115.8 | E2 | E2-K4 VanDerWaalsContact C-N 3.26Å; E2-K4 PolarHBondContact O-N 3.33Å |
| 5 | N | 55.8 | Low | 74.3 | Confident | 147 Ų | 147 | 120.2 Ų | 120.2 | 79% | 0.786 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -91.6 | -1.6 | -168 | -73 | 15 | 0 | 0 | 0 | 116.5 | ||
| 6 | N | 70.8 | Confident | 75.3 | Confident | 129 Ų | 129 | 113.6 Ų | 113.6 | 69% | 0.69 | 56% | 0.558 | S | S | * | * | trans | -120.6 | 32 | -172.5 | -89.3 | 2.1 | 0 | 0 | 0 | 114.6 | Y35 | N6-Y35 VanDerWaalsContact O-CD1 3.23Å; N6-Y35 WeakPolarHBondContact O-CD1 3.44Å | ||
| 7 | W | 81.4 | Confident | 76.2 | Confident | 141 Ų | 141 | 111.6 Ų | 111.6 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | trans | -82.3 | 120.9 | 177.4 | -75.6 | 20.9 | 0 | 0 | 0 | 111 | S93 A94 | W7-S93 VanDerWaalsContact CZ3-O 3.26Å; W7-S93 WeakPolarHBondContact CZ3-O 3.4Å; W7-A94 HydrophobicContact CB-CB 3.99Å | ||
| 8 | I | 86.6 | Confident | 76.9 | Confident | 95 Ų | 95 | 108.7 Ų | 108.7 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.3 | -174.8 | -55.7 | 174.4 | 0 | 0 | 0 | 109.2 | Y35 N92 | I8-Y35 PolarHBondContact N-O 3.33Å; I8-Y35 PolarHBondContact O-N 2.85Å; I8-N92 PolarHBondContact O-ND2 3.49Å |
| 9 | K | 86.2 | Confident | 77.6 | Confident | 142 Ų | 142 | 104.5 Ų | 104.5 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 151.4 | 177.4 | -74.4 | -175.6 | 177.2 | -179.2 | 0 | 112 | A94 | K9-A94 WeakPolarHBondContact CE-O 3.36Å; K9-A94 HydrophobicContact CG-CB 4.22Å; K9-A94 WeakPolarHBondContact CG-O 3.42Å |
| 10 | P | 91.1 | Very high | 78.1 | Confident | 7 Ų | 7 | 101.7 Ų | 101.7 | 5% | 0.045 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 140.5 | 178.3 | -21.6 | 36.7 | 0 | 0 | 0 | 112.3 | T33 P38 A90 N92 G95 T97 | P10-T33 CarbonylContact C-O 3.59Å; P10-T33 VanDerWaalsContact CA-O 3.26Å; P10-T33 WeakPolarHBondContact CA-O 3.43Å; P10-P38 HydrophobicContact CB-CB 3.88Å; P10-P38 HydrophobicContact CB-CG 4.34Å; P10-P38 HydrophobicContact CG-CB 3.99Å; P10-A90 HydrophobicContact CB-CB 4.05Å; P10-A90 VanDerWaalsContact CB-O 3.31Å; P10-A90 WeakPolarHBondContact CB-O 3.32Å; P10-A90 WeakPolarHBondContact CG-O 3.43Å; P10-N92 WeakPolarHBondContact CD-OD1 3.29Å; P10-N92 HydrophobicContact CG-CB 4.14Å; P10-G95 VanDerWaalsContact CD-C 3.46Å; P10-G95 VanDerWaalsContact CD-O 3.26Å; P10-G95 WeakPolarHBondContact CD-O 3.38Å; P10-G95 WeakPolarHBondContact CG-O 3.2Å; P10-T97 HydrophobicContact CB-CG2 4.14Å; P10-T97 VanDerWaalsContact O-CG2 3.27Å; P10-T97 WeakPolarHBondContact O-CG2 3.15Å |
| 11 | I | 92.3 | Very high | 78.4 | Confident | 104 Ų | 104 | 97.7 Ų | 97.7 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.3 | 174.2 | -58.2 | 175.4 | 0 | 0 | 0 | 107.2 | T13 A32 T33 | I11-T13 PolarHBondContact O-N 2.7Å; I11-A32 CarbonylContact O-C 3.6Å; I11-A32 WeakPolarHBondContact O-CA 3.48Å; I11-A32 WeakPolarHBondContact O-CB 3.44Å; I11-T33 PolarHBondContact N-O 2.72Å; I11-T33 PolarHBondContact O-N 2.93Å |
| 12 | I | 91.4 | Very high | 80.4 | Confident | 30 Ų | 30 | 92 Ų | 92 | 15% | 0.154 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 122.8 | 174.1 | -73.1 | 162.3 | 0 | 0 | 0 | 108.5 | H14 Q31 A32 A90 T97 I98 S99 | I12-H14 WeakPolarHBondContact CG2-O 3.49Å; I12-Q31 CarbonylContact C-O 3.45Å; I12-Q31 WeakPolarHBondContact CA-O 3.17Å; I12-A32 HydrophobicContact CG1-CB 4.13Å; I12-A90 HydrophobicContact CG1-CB 4.17Å; I12-T97 HydrophobicContact CD1-CG2 3.96Å; I12-T97 HydrophobicContact CG1-CG2 3.85Å; I12-I98 VanDerWaalsContact CD1-C 3.48Å; I12-S99 VanDerWaalsContact CD1-N 3.31Å |
| 13 | T | 91.6 | Very high | 82.2 | Confident | 73 Ų | 73 | 89.5 Ų | 89.5 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -30.3 | -179.9 | 51.6 | 0 | 0 | 0 | 0 | 112.7 | I11 Q31 T33 | I11-T13 PolarHBondContact O-N 2.7Å; T13-Q31 PolarHBondContact N-O 2.88Å; T13-Q31 PolarHBondContact OG1-O 3.43Å; T13-T33 HydrophobicContact CG2-CG2 3.68Å |
| 14 | H | 90.4 | Very high | 83.4 | Confident | 107 Ų | 107 | 82.9 Ų | 82.9 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 105 | 164.8 | -67.7 | 94.8 | 0 | 0 | 0 | 108 | I12 C30 Q31 | I12-H14 WeakPolarHBondContact CG2-O 3.49Å; H14-C30 WeakPolarHBondContact O-CA 3.4Å; H14-Q31 HydrophobicContact CB-CB 3.97Å; H14-Q31 HydrophobicContact CB-CG 4.07Å; H14-Q31 PolarHBondContact N-O 3.39Å; H14-Q31 PolarHBondContact ND1-OE1 2.82Å; H14-Q31 PolarHBondContact O-N 3.05Å |
| 15 | S | 88.6 | Confident | 85.1 | Confident | 75 Ų | 75 | 77.4 Ų | 77.4 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | trans | -67.4 | 144.7 | 162.8 | -65.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 16 | P | 90.8 | Very high | 86.7 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | trans | -64.1 | 162.2 | 171.6 | 27.3 | -32.9 | 0 | 0 | 0 | 111.5 | T29 W42 V103 | P16-T29 WeakPolarHBondContact CA-O 3.22Å; P16-T29 VanDerWaalsContact CB-O 3.28Å; P16-T29 WeakPolarHBondContact CB-O 3.33Å; P16-W42 HydrophobicContact CB-CH2 3.86Å; P16-W42 HydrophobicContact CB-CZ3 4.42Å; P16-W42 HydrophobicContact CG-CH2 3.87Å; P16-W42 HydrophobicContact CG-CZ3 4.07Å; P16-V103 VanDerWaalsContact C-CG1 3.45Å; P16-V103 HydrophobicContact CB-CB 4.41Å; P16-V103 HydrophobicContact CB-CG1 3.79Å; P16-V103 HydrophobicContact CB-CG2 3.92Å; P16-V103 HydrophobicContact CG-CB 4.41Å; P16-V103 HydrophobicContact CG-CG1 3.71Å; P16-V103 HydrophobicContact CG-CG2 3.81Å; P16-V103 VanDerWaalsContact O-CG1 3.22Å; P16-V103 WeakPolarHBondContact O-CG1 3.29Å | ||
| 17 | S | 90.8 | Very high | 87.7 | Confident | 80 Ų | 80 | 68.1 Ų | 68.1 | 56% | 0.559 | 37% | 0.365 | S | S | * | . | trans | -110.8 | 166.6 | 171.5 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | V103 | S17-V103 VanDerWaalsContact C-CG1 3.49Å; S17-V103 WeakPolarHBondContact O-CG1 3.41Å | ||
| 18 | D | 89.4 | Confident | 88.2 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 31% | 0.31 | 34% | 0.34 | S | S | . | . | trans | -62 | 142.9 | 164.9 | -75.8 | -3.2 | 0 | 0 | 0 | 110.6 | F20 R104 | D18-F20 HydrophobicContact CB-CE2 3.9Å; D18-R104 CarbonylContact C-O 3.59Å; D18-R104 WeakPolarHBondContact CA-O 3.33Å; D18-R104 WeakPolarHBondContact OD1-CB 3.39Å; D18-R104 PolarHBondContact OD1-N 3.22Å; D18-R104 IonicContact OD1-NE 2.6Å; D18-R104 IonicContact OD2-CZ 3.78Å; D18-R104 VanDerWaalsContact OD2-CZ 3.25Å; D18-R104 IonicContact OD2-NE 2.63Å; D18-R104 PolarHBondContact OD2-NE 2.63Å; D18-R104 IonicContact OD2-NH2 2.72Å; D18-R104 PolarHBondContact OD2-NH2 2.82Å | ||
| 19 | V | 89.1 | Confident | 88.6 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 118 | -175.9 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | L26 F28 R104 G105 G106 | V19-L26 HydrophobicContact CG1-CB 4.21Å; V19-L26 HydrophobicContact CG1-CD2 4.29Å; V19-F28 HydrophobicContact CB-CD1 4.27Å; V19-F28 HydrophobicContact CB-CE1 3.89Å; V19-F28 HydrophobicContact CB-CZ 4.35Å; V19-F28 HydrophobicContact CG2-CD1 3.82Å; V19-F28 HydrophobicContact CG2-CE1 3.95Å; V19-R104 PolarHBondContact N-O 2.93Å; V19-G105 WeakPolarHBondContact O-CA 3.38Å; V19-G106 PolarHBondContact O-N 3.47Å |
| 20 | F | 88.8 | Confident | 88.9 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 21% | 0.211 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 124.7 | 176.9 | -58.6 | -83.4 | 0 | 0 | 0 | 109.3 | D18 L83 R104 V108 L139 P140 I203 | D18-F20 HydrophobicContact CB-CE2 3.9Å; F20-L83 HydrophobicContact CE1-CD1 3.97Å; F20-L83 HydrophobicContact CZ-CD1 4.47Å; F20-R104 HydrophobicContact CZ-CB 4.46Å; F20-V108 HydrophobicContact CB-CG1 3.79Å; F20-L139 HydrophobicContact CE1-CD2 3.89Å; F20-P140 HydrophobicContact CB-CG 4.4Å; F20-P140 HydrophobicContact CD1-CB 4.25Å; F20-P140 HydrophobicContact CD2-CB 3.85Å; F20-P140 HydrophobicContact CD2-CG 4.3Å; F20-P140 HydrophobicContact CE1-CB 4.33Å; F20-P140 HydrophobicContact CE2-CB 3.93Å; F20-P140 HydrophobicContact CG-CB 4.01Å; F20-P140 HydrophobicContact CG-CG 4.26Å; F20-P140 HydrophobicContact CZ-CB 4.17Å; F20-I203 HydrophobicContact CB-CD1 4.03Å |
| 21 | S | 83.7 | Confident | 89 | Confident | 18 Ų | 18 | 57 Ų | 57 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.7 | -172.2 | -165.5 | 0 | 0 | 0 | 0 | 115 | D23 V25 G106 V108 | S21-D23 WeakPolarHBondContact CB-OD1 3.4Å; S21-D23 PolarHBondContact OG-N 3.16Å; S21-D23 VanDerWaalsContact OG-N 3.14Å; S21-D23 PolarHBondContact OG-OD1 3.46Å; S21-D23 PolarHBondContact OG-OD2 3.16Å; S21-V25 WeakPolarHBondContact CB-O 3.39Å; S21-G106 PolarHBondContact N-O 3.16Å; S21-V108 WeakPolarHBondContact O-CG1 2.95Å; S21-V108 WeakPolarHBondContact O-CG2 3.15Å; S21-V108 PolarHBondContact O-N 3.32Å; S21-V108 VanDerWaalsContact O-N 3.12Å |
| 22 | T | 81.3 | Confident | 88.9 | Confident | 109 Ų | 109 | 52.9 Ų | 52.9 | 67% | 0.669 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -81.1 | -24.2 | 168 | 45.7 | 0 | 0 | 0 | 0 | 113.2 | V108 | T22-V108 HydrophobicContact CG2-CG2 3.57Š|
| 23 | D | 81.6 | Confident | 88.9 | Confident | 110 Ų | 110 | 55 Ų | 55 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -88.6 | -0.3 | -174.3 | 65 | 17.6 | 0 | 0 | 0 | 114.5 | S21 V25 | S21-D23 WeakPolarHBondContact CB-OD1 3.4Å; S21-D23 PolarHBondContact OG-N 3.16Å; S21-D23 VanDerWaalsContact OG-N 3.14Å; S21-D23 PolarHBondContact OG-OD1 3.46Å; S21-D23 PolarHBondContact OG-OD2 3.16Å; D23-V25 PolarHBondContact OD1-N 2.74Å |
| 24 | S | 78.5 | Confident | 88.8 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 64.7 | 31.2 | -175.7 | -48 | 0 | 0 | 0 | 0 | 114.9 | S77 P78 | S24-S77 PolarHBondContact O-N 2.86Å; S24-P78 WeakPolarHBondContact O-CD 3.02Å |
| 25 | V | 87.1 | Confident | 88.6 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 34% | 0.339 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.1 | 166.3 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | S21 D23 L74 V75 | S21-V25 WeakPolarHBondContact CB-O 3.39Å; D23-V25 PolarHBondContact OD1-N 2.74Å; V25-L74 HydrophobicContact CG1-CD1 3.88Å; V25-L74 HydrophobicContact CG1-CD2 4.14Å; V25-L74 HydrophobicContact CG1-CG 3.91Å; V25-V75 WeakPolarHBondContact CA-O 3.43Å |
| 26 | L | 89.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.9 | 170.1 | -43.5 | 174.1 | 0 | 0 | 0 | 108.4 | V19 F28 L74 V75 P78 Y84 | V19-L26 HydrophobicContact CG1-CB 4.21Å; V19-L26 HydrophobicContact CG1-CD2 4.29Å; L26-F28 HydrophobicContact CB-CE2 3.86Å; L26-F28 HydrophobicContact CB-CZ 4.22Å; L26-F28 HydrophobicContact CD1-CE2 4.32Å; L26-F28 HydrophobicContact CD1-CZ 4.3Å; L26-L74 CarbonylContact O-C 3.58Å; L26-L74 VanDerWaalsContact O-CA 3.26Å; L26-L74 WeakPolarHBondContact O-CA 3.28Å; L26-V75 HydrophobicContact CB-CB 4.22Å; L26-V75 HydrophobicContact CD1-CB 4.19Å; L26-V75 HydrophobicContact CG-CB 4.37Å; L26-V75 PolarHBondContact N-O 3.2Å; L26-V75 PolarHBondContact O-N 3.44Å; L26-P78 HydrophobicContact CD1-CB 4.11Å; L26-P78 HydrophobicContact CD1-CG 4.11Å; L26-P78 HydrophobicContact CD2-CG 4.37Å; L26-P78 HydrophobicContact CG-CG 3.98Å; L26-Y84 HydrophobicContact CD1-CD2 4.12Å |
| 27 | E | 91.8 | Very high | 88.6 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 106.7 | 174.7 | -170.3 | -170.7 | 156.1 | 0 | 0 | 110.6 | T29 K72 | E27-T29 HydrophobicContact CG-CG2 4.15Å; E27-K72 VanDerWaalsContact OE1-CD 3.27Å; E27-K72 WeakPolarHBondContact OE1-CD 3.31Å; E27-K72 WeakPolarHBondContact OE1-CE 3.39Å; E27-K72 IonicContact OE1-NZ 2.7Å; E27-K72 PolarHBondContact OE1-NZ 2.62Å |
| 28 | F | 92.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 137 | 172.2 | -50.8 | -87.6 | 0 | 0 | 0 | 109.6 | V19 L26 W42 K72 L73 V75 F86 V103 | V19-F28 HydrophobicContact CB-CD1 4.27Å; V19-F28 HydrophobicContact CB-CE1 3.89Å; V19-F28 HydrophobicContact CB-CZ 4.35Å; V19-F28 HydrophobicContact CG2-CD1 3.82Å; V19-F28 HydrophobicContact CG2-CE1 3.95Å; L26-F28 HydrophobicContact CB-CE2 3.86Å; L26-F28 HydrophobicContact CB-CZ 4.22Å; L26-F28 HydrophobicContact CD1-CE2 4.32Å; L26-F28 HydrophobicContact CD1-CZ 4.3Å; F28-W42 HydrophobicContact CB-CH2 3.59Å; F28-W42 HydrophobicContact CB-CZ2 4.16Å; F28-W42 HydrophobicContact CB-CZ3 4.12Å; F28-K72 WeakPolarHBondContact O-CA 3.46Å; F28-L73 HydrophobicContact CB-CB 4.32Å; F28-L73 HydrophobicContact CD2-CD2 4.14Å; F28-L73 HydrophobicContact CD2-CG 4.19Å; F28-L73 PolarHBondContact N-O 2.88Å; F28-L73 PolarHBondContact O-N 2.94Å; F28-V75 HydrophobicContact CE2-CG2 4.4Å; F28-F86 HydrophobicContact CD2-CD2 4.02Å; F28-F86 HydrophobicContact CD2-CE2 4.3Å; F28-F86 AromaticContact CE2-CD2 3.7Å; F28-F86 HydrophobicContact CE2-CD2 3.7Å; F28-F86 AromaticContact CE2-CE2 3.77Å; F28-F86 HydrophobicContact CE2-CE2 3.77Å; F28-F86 HydrophobicContact CZ-CD2 4.08Å; F28-F86 HydrophobicContact CZ-CE2 4.36Å; F28-V103 HydrophobicContact CD1-CB 4.26Å; F28-V103 HydrophobicContact CD1-CG2 3.72Å; F28-V103 HydrophobicContact CE1-CB 4.4Å; F28-V103 HydrophobicContact CE1-CG2 4.13Å; F28-V103 HydrophobicContact CG-CG2 4.46Å |
| 29 | T | 93.3 | Very high | 88.7 | Confident | 56 Ų | 56 | 58.3 Ų | 58.3 | 34% | 0.344 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 136 | -179.1 | 72.6 | 0 | 0 | 0 | 0 | 111 | P16 E27 K72 | P16-T29 WeakPolarHBondContact CA-O 3.22Å; P16-T29 VanDerWaalsContact CB-O 3.28Å; P16-T29 WeakPolarHBondContact CB-O 3.33Å; E27-T29 HydrophobicContact CG-CG2 4.15Å; T29-K72 HydrophobicContact CG2-CD 4.42Å; T29-K72 HydrophobicContact CG2-CG 4.1Å |
| 30 | C | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | trans | -135.9 | 136.8 | -178.8 | 172.1 | 0 | 0 | 0 | 0 | 109.3 | H14 I40 W42 G71 C88 | H14-C30 WeakPolarHBondContact O-CA 3.4Å; C30-I40 HydrophobicContact CB-CG2 4.29Å; C30-I40 VanDerWaalsContact O-CD1 3.31Å; C30-I40 WeakPolarHBondContact O-CD1 3.41Å; C30-W42 HydrophobicContact CB-CH2 3.91Å; C30-W42 HydrophobicContact CB-CZ2 3.68Å; C30-G71 PolarHBondContact N-O 2.97Å; C30-G71 WeakPolarHBondContact O-CA 3.46Å; C30-C88 HydrophobicContact CB-CB 3.6Å; C30-C88 WeakPolarHBondContact CB-SG 3.29Å; C30-C88 WeakPolarHBondContact SG-CB 3.44Å; C30-C88 CovalentContact SG-SG 2.04Å; C30-C88 PolarHBondContact SG-SG 2.82Å | ||
| 31 | Q | 92.7 | Very high | 89 | Confident | 94 Ų | 94 | 56 Ų | 56 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 142.4 | 178.8 | -55.8 | -179.4 | 11.3 | 0 | 0 | 110.8 | I12 T13 H14 | I12-Q31 CarbonylContact C-O 3.45Å; I12-Q31 WeakPolarHBondContact CA-O 3.17Å; T13-Q31 PolarHBondContact N-O 2.88Å; T13-Q31 PolarHBondContact OG1-O 3.43Å; H14-Q31 HydrophobicContact CB-CB 3.97Å; H14-Q31 HydrophobicContact CB-CG 4.07Å; H14-Q31 PolarHBondContact N-O 3.39Å; H14-Q31 PolarHBondContact ND1-OE1 2.82Å; H14-Q31 PolarHBondContact O-N 3.05Å |
| 32 | A | 90.8 | Very high | 89.5 | Confident | 18 Ų | 18 | 55.2 Ų | 55.2 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 148 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I11 I12 P38 I40 A90 | I11-A32 CarbonylContact O-C 3.6Å; I11-A32 WeakPolarHBondContact O-CA 3.48Å; I11-A32 WeakPolarHBondContact O-CB 3.44Å; I12-A32 HydrophobicContact CG1-CB 4.13Å; A32-P38 HydrophobicContact CB-CG 3.91Å; A32-I40 HydrophobicContact CB-CD1 4.35Å; A32-A90 HydrophobicContact CB-CB 3.39Å |
| 33 | T | 91.8 | Very high | 90.1 | Very high | 73 Ų | 73 | 52.4 Ų | 52.4 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 157.8 | 174.8 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | P10 I11 T13 | P10-T33 CarbonylContact C-O 3.59Å; P10-T33 VanDerWaalsContact CA-O 3.26Å; P10-T33 WeakPolarHBondContact CA-O 3.43Å; I11-T33 PolarHBondContact N-O 2.72Å; I11-T33 PolarHBondContact O-N 2.93Å; T13-T33 HydrophobicContact CG2-CG2 3.68Å |
| 34 | G | 87.6 | Confident | 90.5 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | 166.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P36 | G34-P36 CarbonylContact C-O 3.58Å; G34-P36 VanDerWaalsContact C-O 3.3Å; G34-P36 CarbonylContact O-C 3.59Å |
| 35 | Y | 87.2 | Confident | 91 | Very high | 142 Ų | 142 | 48.5 Ų | 48.5 | 56% | 0.557 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 118.5 | 178.2 | -168.4 | -89.8 | 0 | 0 | 0 | 111.8 | N6 I8 N92 | N6-Y35 VanDerWaalsContact O-CD1 3.23Å; N6-Y35 WeakPolarHBondContact O-CD1 3.44Å; I8-Y35 PolarHBondContact N-O 3.33Å; I8-Y35 PolarHBondContact O-N 2.85Å; Y35-N92 PolarHBondContact N-ND2 2.9Å |
| 36 | P | 89.7 | Confident | 91 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | S | Bend | cis | -58.8 | 162.3 | -2.6 | -24.2 | 35.6 | 0 | 0 | 0 | 114.1 | G34 N92 S93 | G34-P36 CarbonylContact C-O 3.58Å; G34-P36 VanDerWaalsContact C-O 3.3Å; G34-P36 CarbonylContact O-C 3.59Å; P36-N92 WeakPolarHBondContact O-CB 3.49Å; P36-N92 PolarHBondContact O-ND2 2.95Å; P36-S93 VanDerWaalsContact CD-OG 3.29Å; P36-S93 WeakPolarHBondContact CD-OG 3.46Å |
| 37 | K | 88.8 | Confident | 90.9 | Very high | 148 Ų | 148 | 57 Ų | 57 | 64% | 0.643 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 127.5 | -178.5 | -177 | -173.4 | 174.3 | -172.1 | 0 | 109.9 | ||
| 38 | P | 90.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 8% | 0.078 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 149.6 | -177.2 | 28.3 | -34.7 | 0 | 0 | 0 | 113.1 | P10 A32 A90 S91 N92 | P10-P38 HydrophobicContact CB-CB 3.88Å; P10-P38 HydrophobicContact CB-CG 4.34Å; P10-P38 HydrophobicContact CG-CB 3.99Å; A32-P38 HydrophobicContact CB-CG 3.91Å; P38-A90 HydrophobicContact CB-CB 4.32Å; P38-S91 CarbonylContact C-O 3.51Å; P38-S91 VanDerWaalsContact CA-O 3.23Å; P38-S91 WeakPolarHBondContact CA-O 3.41Å; P38-N92 HydrophobicContact CB-CB 4.5Å |
| 39 | I | 91.8 | Very high | 90.4 | Very high | 103 Ų | 103 | 62.3 Ų | 62.3 | 53% | 0.528 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133 | 170.1 | -57.5 | 173.6 | 0 | 0 | 0 | 107.7 | V41 A90 S91 | I39-V41 HydrophobicContact CG2-CG2 4.16Å; I39-A90 WeakPolarHBondContact O-CA 3.41Å; I39-S91 PolarHBondContact N-O 2.89Å; I39-S91 PolarHBondContact O-N 3.3Å |
| 40 | I | 92.3 | Very high | 90.3 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117.8 | -179.9 | -57.5 | -179.2 | 0 | 0 | 0 | 109.1 | C30 A32 Q68 C88 N89 A90 | C30-I40 HydrophobicContact CB-CG2 4.29Å; C30-I40 VanDerWaalsContact O-CD1 3.31Å; C30-I40 WeakPolarHBondContact O-CD1 3.41Å; A32-I40 HydrophobicContact CB-CD1 4.35Å; I40-Q68 WeakPolarHBondContact O-CB 3.46Å; I40-C88 HydrophobicContact CG2-CB 3.96Å; I40-N89 WeakPolarHBondContact CA-O 3.18Å; I40-A90 HydrophobicContact CG1-CB 4.48Å |
| 41 | V | 92.7 | Very high | 90.1 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.2 | 179.5 | -177.9 | 0 | 0 | 0 | 0 | 109 | I39 Y43 Q50 C88 N89 | I39-V41 HydrophobicContact CG2-CG2 4.16Å; V41-Y43 HydrophobicContact CB-CE2 3.93Å; V41-Y43 HydrophobicContact CG1-CD2 4.19Å; V41-Y43 HydrophobicContact CG1-CE2 3.54Å; V41-Q50 HydrophobicContact CG1-CB 4.5Å; V41-Q50 VanDerWaalsContact CG1-CD 3.47Å; V41-Q50 HydrophobicContact CG1-CG 3.64Å; V41-C88 CarbonylContact O-C 3.53Å; V41-C88 WeakPolarHBondContact O-CA 3.44Å; V41-N89 PolarHBondContact N-O 2.83Å; V41-N89 PolarHBondContact O-N 3.03Å |
| 42 | W | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 144.6 | 178.3 | -71.9 | 95.2 | 0 | 0 | 0 | 111.5 | P16 F28 C30 Q50 V51 V66 G71 L73 F86 C88 V103 | P16-W42 HydrophobicContact CB-CH2 3.86Å; P16-W42 HydrophobicContact CB-CZ3 4.42Å; P16-W42 HydrophobicContact CG-CH2 3.87Å; P16-W42 HydrophobicContact CG-CZ3 4.07Å; F28-W42 HydrophobicContact CB-CH2 3.59Å; F28-W42 HydrophobicContact CB-CZ2 4.16Å; F28-W42 HydrophobicContact CB-CZ3 4.12Å; C30-W42 HydrophobicContact CB-CH2 3.91Å; C30-W42 HydrophobicContact CB-CZ2 3.68Å; W42-Q50 WeakPolarHBondContact O-CA 3.27Å; W42-V51 HydrophobicContact CB-CB 4.13Å; W42-V51 HydrophobicContact CB-CG2 4.21Å; W42-V51 PolarHBondContact O-N 3.17Å; W42-V66 HydrophobicContact CB-CG1 4.42Å; W42-G71 WeakPolarHBondContact CZ2-O 3.44Å; W42-L73 HydrophobicContact CB-CD2 4.22Å; W42-L73 HydrophobicContact CD2-CB 3.71Å; W42-L73 HydrophobicContact CD2-CD2 3.77Å; W42-L73 HydrophobicContact CD2-CG 4.36Å; W42-L73 HydrophobicContact CE3-CB 4.29Å; W42-L73 HydrophobicContact CE3-CD2 3.68Å; W42-L73 HydrophobicContact CG-CB 3.93Å; W42-L73 HydrophobicContact CG-CD2 4.03Å; W42-L73 HydrophobicContact CG-CG 4.45Å; W42-L73 HydrophobicContact CH2-CB 4.48Å; W42-L73 HydrophobicContact CZ2-CB 3.95Å; W42-L73 HydrophobicContact CZ3-CD2 4.24Å; W42-F86 HydrophobicContact CE3-CB 4.13Å; W42-F86 HydrophobicContact CZ3-CB 4.28Å; W42-C88 HydrophobicContact CD2-CB 4.11Å; W42-C88 HydrophobicContact CE3-CB 3.99Å; W42-C88 HydrophobicContact CH2-CB 4.29Å; W42-C88 HydrophobicContact CZ2-CB 4.38Å; W42-C88 HydrophobicContact CZ3-CB 4.09Å; W42-V103 HydrophobicContact CZ3-CG2 4.42Å |
| 43 | Y | 93.5 | Very high | 89.1 | Confident | 51 Ų | 51 | 68 Ų | 68 | 20% | 0.2 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 142.7 | 179.4 | -72.6 | -98.2 | 0 | 0 | 0 | 110.7 | V41 K49 Q50 F86 Y87 N89 | V41-Y43 HydrophobicContact CB-CE2 3.93Å; V41-Y43 HydrophobicContact CG1-CD2 4.19Å; V41-Y43 HydrophobicContact CG1-CE2 3.54Å; Y43-K49 VanDerWaalsContact CA-O 3.31Å; Y43-K49 WeakPolarHBondContact CA-O 3.26Å; Y43-Q50 HydrophobicContact CD1-CB 4.24Å; Y43-Q50 HydrophobicContact CE1-CB 3.93Å; Y43-F86 CarbonylContact O-C 3.6Å; Y43-F86 VanDerWaalsContact O-CA 3.29Å; Y43-F86 WeakPolarHBondContact O-CA 3.3Å; Y43-Y87 HydrophobicContact CD2-CE2 4.06Å; Y43-Y87 HydrophobicContact CG-CE1 4.36Å; Y43-Y87 AromaticContact CG-CE2 3.93Å; Y43-Y87 HydrophobicContact CG-CE2 3.93Å; Y43-Y87 AromaticContact CG-CZ 3.76Å; Y43-Y87 PolarHBondContact N-O 2.68Å; Y43-Y87 PolarHBondContact O-N 3.14Å; Y43-N89 HydrophobicContact CD2-CB 3.94Å; Y43-N89 HydrophobicContact CE2-CB 3.67Å |
| 44 | D | 91.3 | Very high | 88 | Confident | 42 Ų | 42 | 70.9 Ų | 70.9 | 23% | 0.225 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 125.3 | 168.4 | 170.9 | -16.2 | 0 | 0 | 0 | 109.1 | M46 T47 G48 K49 V51 | D44-M46 VanDerWaalsContact C-N 3.34Å; D44-M46 WeakPolarHBondContact OD1-CA 3.38Å; D44-M46 WeakPolarHBondContact OD1-CB 3.43Å; D44-M46 PolarHBondContact OD1-N 3.03Å; D44-T47 WeakPolarHBondContact CB-OG1 3.46Å; D44-T47 PolarHBondContact OD1-N 3.11Å; D44-T47 WeakPolarHBondContact OD2-CB 3.44Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.44Å; D44-T47 PolarHBondContact OD2-OG1 3.06Å; D44-G48 VanDerWaalsContact O-CA 3.28Å; D44-G48 WeakPolarHBondContact O-CA 3.26Å; D44-G48 PolarHBondContact O-N 2.63Å; D44-K49 PolarHBondContact N-O 3.11Å; D44-V51 HydrophobicContact CB-CG2 4.47Å |
| 45 | A | 88.7 | Confident | 86.7 | Confident | 37 Ų | 37 | 76.1 Ų | 76.1 | 31% | 0.306 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -15.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S85 Y87 P102 | A45-S85 PolarHBondContact N-O 3.21Å; A45-Y87 HydrophobicContact CB-CD1 4.09Å; A45-P102 HydrophobicContact CB-CB 3.69Å; A45-P102 HydrophobicContact CB-CG 4.03Å |
| 46 | M | 86.5 | Confident | 85.3 | Confident | 155 Ų | 155 | 71.1 Ų | 71.1 | 76% | 0.764 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -42.7 | 174.6 | -71.6 | 173.9 | 52.2 | 0 | 0 | 112 | D44 | D44-M46 VanDerWaalsContact C-N 3.34Å; D44-M46 WeakPolarHBondContact OD1-CA 3.38Å; D44-M46 WeakPolarHBondContact OD1-CB 3.43Å; D44-M46 PolarHBondContact OD1-N 3.03Å |
| 47 | T | 87.7 | Confident | 83.8 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -13.8 | -176.7 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | D44 K49 | D44-T47 WeakPolarHBondContact CB-OG1 3.46Å; D44-T47 PolarHBondContact OD1-N 3.11Å; D44-T47 WeakPolarHBondContact OD2-CB 3.44Å; D44-T47 WeakPolarHBondContact OD2-CG2 3.44Å; D44-T47 PolarHBondContact OD2-OG1 3.06Å; T47-K49 PolarHBondContact O-N 3.5Å; T47-K49 VanDerWaalsContact O-N 3.13Å; T47-K49 PolarHBondContact OG1-N 3.27Å |
| 48 | G | 86 | Confident | 82.3 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | trans | 67.5 | 4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D44 | D44-G48 VanDerWaalsContact O-CA 3.28Å; D44-G48 WeakPolarHBondContact O-CA 3.26Å; D44-G48 PolarHBondContact O-N 2.63Å | ||
| 49 | K | 89 | Confident | 80.7 | Confident | 150 Ų | 150 | 75.5 Ų | 75.5 | 65% | 0.652 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -81.6 | 148 | -179.6 | -65.6 | -180 | 180 | 178.8 | 0 | 110.7 | Y43 D44 T47 V51 | Y43-K49 VanDerWaalsContact CA-O 3.31Å; Y43-K49 WeakPolarHBondContact CA-O 3.26Å; D44-K49 PolarHBondContact N-O 3.11Å; T47-K49 PolarHBondContact O-N 3.5Å; T47-K49 VanDerWaalsContact O-N 3.13Å; T47-K49 PolarHBondContact OG1-N 3.27Å; K49-V51 PolarHBondContact O-N 3.3Å |
| 50 | Q | 90.3 | Very high | 79.2 | Confident | 88 Ų | 88 | 73.8 Ų | 73.8 | 41% | 0.411 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -62.5 | 133.5 | 166.9 | 172.4 | 173.4 | -12.8 | 0 | 0 | 109.4 | V41 W42 Y43 | V41-Q50 HydrophobicContact CG1-CB 4.5Å; V41-Q50 VanDerWaalsContact CG1-CD 3.47Å; V41-Q50 HydrophobicContact CG1-CG 3.64Å; W42-Q50 WeakPolarHBondContact O-CA 3.27Å; Y43-Q50 HydrophobicContact CD1-CB 4.24Å; Y43-Q50 HydrophobicContact CE1-CB 3.93Å |
| 51 | V | 88.8 | Confident | 77.9 | Confident | 13 Ų | 13 | 79.2 Ų | 79.2 | 8% | 0.079 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 129.1 | 171.3 | -169.2 | 0 | 0 | 0 | 0 | 108.6 | W42 D44 K49 I64 V66 L73 F86 | W42-V51 HydrophobicContact CB-CB 4.13Å; W42-V51 HydrophobicContact CB-CG2 4.21Å; W42-V51 PolarHBondContact O-N 3.17Å; D44-V51 HydrophobicContact CB-CG2 4.47Å; K49-V51 PolarHBondContact O-N 3.3Å; V51-I64 HydrophobicContact CG1-CG2 3.53Å; V51-V66 HydrophobicContact CB-CG2 4.37Å; V51-V66 HydrophobicContact CG1-CG2 3.79Å; V51-L73 HydrophobicContact CG1-CD1 3.98Å; V51-F86 HydrophobicContact CG2-CD1 3.8Å; V51-F86 HydrophobicContact CG2-CE1 3.74Å |
| 52 | I | 82.9 | Confident | 76.7 | Confident | 116 Ų | 116 | 80.3 Ų | 80.3 | 60% | 0.595 | 47% | 0.474 | S | S | * | . | trans | -112.6 | 156.1 | 179.2 | -59.1 | 174.6 | 0 | 0 | 0 | 107.6 | E54 | I52-E54 PolarHBondContact O-N 3.05Å; I52-E54 VanDerWaalsContact O-N 3.08Å | ||
| 53 | D | 79.4 | Confident | 76 | Confident | 71 Ų | 71 | 81 Ų | 81 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | trans | -69.5 | 100.9 | 174.8 | -153.4 | -45.3 | 0 | 0 | 0 | 109.8 | I55 I64 H65 V66 | D53-I55 PolarHBondContact O-N 2.96Å; D53-I64 CarbonylContact C-O 3.56Å; D53-I64 WeakPolarHBondContact CA-O 3.22Å; D53-H65 IonicContact OD1-CE1 3.79Å; D53-H65 IonicContact OD1-CG 3.26Å; D53-H65 IonicContact OD1-ND1 2.97Å; D53-H65 PolarHBondContact OD1-ND1 2.72Å; D53-V66 PolarHBondContact OD2-N 3.43Å; D53-V66 VanDerWaalsContact OD2-N 3.16Å | ||
| 54 | E | 69.3 | Low | 75.6 | Confident | 133 Ų | 133 | 80.1 Ų | 80.1 | 62% | 0.621 | 48% | 0.479 | S | S | * | . | B | Isolated β-bridge | trans | -91 | 85.2 | -178.8 | -73.9 | -167.9 | 169.1 | 0 | 0 | 110 | I52 P56 I64 | I52-E54 PolarHBondContact O-N 3.05Å; I52-E54 VanDerWaalsContact O-N 3.08Å; E54-P56 WeakPolarHBondContact O-CD 3.17Å; E54-I64 PolarHBondContact N-O 2.84Å |
| 55 | I | 60.7 | Low | 75.3 | Confident | 132 Ų | 132 | 80.7 Ų | 80.7 | 68% | 0.677 | 48% | 0.481 | S | S | * | . | trans | -75.6 | 118.8 | 170.7 | -53.8 | 175.2 | 0 | 0 | 0 | 108.7 | D53 | D53-I55 PolarHBondContact O-N 2.96Š| ||
| 56 | P | 58.6 | Low | 75.2 | Confident | 37 Ų | 37 | 79.8 Ų | 79.8 | 24% | 0.24 | 47% | 0.471 | C | S | . | . | trans | -69.3 | 142.5 | 178.3 | -14.6 | 27.2 | 0 | 0 | 0 | 112.5 | E54 S58 G59 S62 | E54-P56 WeakPolarHBondContact O-CD 3.17Å; P56-S58 WeakPolarHBondContact CB-OG 3.49Å; P56-S58 PolarHBondContact O-N 2.89Å; P56-G59 PolarHBondContact O-N 3.33Å; P56-S62 WeakPolarHBondContact CG-O 3.43Å | ||
| 57 | S | 57.2 | Low | 75.1 | Confident | 141 Ų | 141 | 75.8 Ų | 75.8 | 99% | 0.986 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -9.8 | 174.8 | -38.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 58 | S | 57.1 | Low | 74.7 | Confident | 85 Ų | 85 | 76 Ų | 76 | 59% | 0.594 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2.7 | -177.2 | 44.2 | 0 | 0 | 0 | 0 | 115.1 | P56 T60 | P56-S58 WeakPolarHBondContact CB-OG 3.49Å; P56-S58 PolarHBondContact O-N 2.89Å; S58-T60 PolarHBondContact O-N 3.44Å; S58-T60 PolarHBondContact OG-OG1 3.22Å |
| 59 | G | 57 | Low | 74.4 | Confident | 76 Ų | 76 | 80.2 Ų | 80.2 | 78% | 0.784 | 46% | 0.456 | S | S | * | . | trans | 68.2 | 15.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P56 | P56-G59 PolarHBondContact O-N 3.33Š| ||
| 60 | T | 60.5 | Low | 74.2 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 42% | 0.417 | 45% | 0.454 | S | S | . | . | trans | -87.1 | 139.7 | 178.4 | 44.2 | 0 | 0 | 0 | 0 | 110.9 | S58 S62 | S58-T60 PolarHBondContact O-N 3.44Å; S58-T60 PolarHBondContact OG-OG1 3.22Å; T60-S62 PolarHBondContact O-N 3.47Å; T60-S62 PolarHBondContact OG1-OG 3.09Å | ||
| 61 | T | 64.2 | Low | 74.1 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 78% | 0.779 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -75.4 | 15.9 | -179.2 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | S76 | T61-S76 VanDerWaalsContact O-CB 3.26Å; T61-S76 WeakPolarHBondContact O-CB 3.33Å; T61-S76 PolarHBondContact O-OG 2.94Å |
| 62 | S | 68.7 | Low | 74.2 | Confident | 41 Ų | 41 | 80 Ų | 80 | 29% | 0.287 | 45% | 0.449 | S | S | . | . | trans | -98.8 | 113.2 | 179.8 | 55.4 | 0 | 0 | 0 | 0 | 110.1 | P56 T60 S76 | P56-S62 WeakPolarHBondContact CG-O 3.43Å; T60-S62 PolarHBondContact O-N 3.47Å; T60-S62 PolarHBondContact OG1-OG 3.09Å; S62-S76 WeakPolarHBondContact CA-O 3.43Å; S62-S76 WeakPolarHBondContact CA-OG 3.04Å | ||
| 63 | G | 78.4 | Confident | 74.6 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -178.3 | -165.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | V75 S76 | G63-V75 WeakPolarHBondContact O-CA 3.34Å; G63-S76 PolarHBondContact N-O 3.4Å; G63-S76 PolarHBondContact N-OG 2.85Å; G63-S76 PolarHBondContact O-N 3.23Å; G63-S76 PolarHBondContact O-OG 3.03Å |
| 64 | I | 85.2 | Confident | 75.1 | Confident | 31 Ų | 31 | 73.8 Ų | 73.8 | 16% | 0.159 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 111.2 | 173.4 | -56.2 | -179.4 | 0 | 0 | 0 | 107.9 | V51 D53 E54 V66 L73 L74 V75 Y84 | V51-I64 HydrophobicContact CG1-CG2 3.53Å; D53-I64 CarbonylContact C-O 3.56Å; D53-I64 WeakPolarHBondContact CA-O 3.22Å; E54-I64 PolarHBondContact N-O 2.84Å; I64-V66 HydrophobicContact CG2-CG2 4.38Å; I64-L73 HydrophobicContact CG2-CD1 3.57Å; I64-L74 WeakPolarHBondContact CA-O 3.26Å; I64-V75 HydrophobicContact CG1-CG1 4.33Å; I64-V75 HydrophobicContact CG1-CG2 4.31Å; I64-V75 HydrophobicContact CG2-CG2 4.4Å; I64-Y84 HydrophobicContact CD1-CE1 4.43Å |
| 65 | H | 85.5 | Confident | 76.1 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 26% | 0.255 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.8 | -174.3 | -61.7 | -50.9 | 0 | 0 | 0 | 111 | D53 L74 | D53-H65 IonicContact OD1-CE1 3.79Å; D53-H65 IonicContact OD1-CG 3.26Å; D53-H65 IonicContact OD1-ND1 2.97Å; D53-H65 PolarHBondContact OD1-ND1 2.72Å; H65-L74 PolarHBondContact N-O 2.83Å; H65-L74 PolarHBondContact O-N 2.91Å |
| 66 | V | 86.1 | Confident | 77.3 | Confident | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 97.3 | -165.4 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | W42 V51 D53 I64 Q68 L73 | W42-V66 HydrophobicContact CB-CG1 4.42Å; V51-V66 HydrophobicContact CB-CG2 4.37Å; V51-V66 HydrophobicContact CG1-CG2 3.79Å; D53-V66 PolarHBondContact OD2-N 3.43Å; D53-V66 VanDerWaalsContact OD2-N 3.16Å; I64-V66 HydrophobicContact CG2-CG2 4.38Å; V66-Q68 HydrophobicContact CG1-CG 4.22Å; V66-Q68 PolarHBondContact O-N 3.12Å; V66-L73 HydrophobicContact CG2-CD1 3.88Å |
| 67 | N | 84.9 | Confident | 78.4 | Confident | 71 Ų | 71 | 64 Ų | 64 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 87.9 | 177.1 | -162.6 | -54.4 | 0 | 0 | 0 | 111.7 | H69 Y70 G71 K72 | N67-H69 PolarHBondContact O-N 2.89Å; N67-H69 PolarHBondContact OD1-N 2.67Å; N67-Y70 PolarHBondContact O-N 2.8Å; N67-Y70 VanDerWaalsContact OD1-CD2 3.31Å; N67-Y70 WeakPolarHBondContact OD1-CD2 3.42Å; N67-Y70 PolarHBondContact OD1-N 3.21Å; N67-Y70 VanDerWaalsContact OD1-N 3.1Å; N67-G71 PolarHBondContact O-N 3.03Å; N67-K72 HydrophobicContact CB-CB 4.35Å; N67-K72 PolarHBondContact N-O 3.15Å; N67-K72 PolarHBondContact O-N 3.31Å |
| 68 | Q | 80.1 | Confident | 79.7 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 38% | 0.383 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.8 | 179.2 | -61.3 | 178.8 | 5.1 | 0 | 0 | 113.8 | I40 V66 | I40-Q68 WeakPolarHBondContact O-CB 3.46Å; V66-Q68 HydrophobicContact CG1-CG 4.22Å; V66-Q68 PolarHBondContact O-N 3.12Å |
| 69 | H | 78.7 | Confident | 80.8 | Confident | 136 Ų | 136 | 58.7 Ų | 58.7 | 63% | 0.63 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -37.2 | -178.2 | -165.8 | 95.8 | 0 | 0 | 0 | 112.7 | N67 | N67-H69 PolarHBondContact O-N 2.89Å; N67-H69 PolarHBondContact OD1-N 2.67Å |
| 70 | Y | 84.5 | Confident | 81.8 | Confident | 160 Ų | 160 | 64.3 Ų | 64.3 | 63% | 0.627 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 1.2 | 175.5 | -60.5 | -59.9 | 0 | 0 | 0 | 113.4 | N67 K72 | N67-Y70 PolarHBondContact O-N 2.8Å; N67-Y70 VanDerWaalsContact OD1-CD2 3.31Å; N67-Y70 WeakPolarHBondContact OD1-CD2 3.42Å; N67-Y70 PolarHBondContact OD1-N 3.21Å; N67-Y70 VanDerWaalsContact OD1-N 3.1Å; Y70-K72 VanDerWaalsContact C-N 3.27Å; Y70-K72 PolarHBondContact O-N 2.96Å |
| 71 | G | 88 | Confident | 82.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.6 | 31.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | C30 W42 N67 | C30-G71 PolarHBondContact N-O 2.97Å; C30-G71 WeakPolarHBondContact O-CA 3.46Å; W42-G71 WeakPolarHBondContact CZ2-O 3.44Å; N67-G71 PolarHBondContact O-N 3.03Å |
| 72 | K | 91.1 | Very high | 83.2 | Confident | 87 Ų | 87 | 61 Ų | 61 | 38% | 0.378 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.5 | -178 | -62.5 | -166.6 | 167.5 | -158.7 | 0 | 112.1 | E27 F28 T29 N67 Y70 | E27-K72 VanDerWaalsContact OE1-CD 3.27Å; E27-K72 WeakPolarHBondContact OE1-CD 3.31Å; E27-K72 WeakPolarHBondContact OE1-CE 3.39Å; E27-K72 IonicContact OE1-NZ 2.7Å; E27-K72 PolarHBondContact OE1-NZ 2.62Å; F28-K72 WeakPolarHBondContact O-CA 3.46Å; T29-K72 HydrophobicContact CG2-CD 4.42Å; T29-K72 HydrophobicContact CG2-CG 4.1Å; N67-K72 HydrophobicContact CB-CB 4.35Å; N67-K72 PolarHBondContact N-O 3.15Å; N67-K72 PolarHBondContact O-N 3.31Å; Y70-K72 VanDerWaalsContact C-N 3.27Å; Y70-K72 PolarHBondContact O-N 2.96Å |
| 73 | L | 91.5 | Very high | 84 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 119.6 | 172.6 | 169.7 | 65.9 | 0 | 0 | 0 | 107.9 | F28 W42 V51 I64 V66 F86 | F28-L73 HydrophobicContact CB-CB 4.32Å; F28-L73 HydrophobicContact CD2-CD2 4.14Å; F28-L73 HydrophobicContact CD2-CG 4.19Å; F28-L73 PolarHBondContact N-O 2.88Å; F28-L73 PolarHBondContact O-N 2.94Å; W42-L73 HydrophobicContact CB-CD2 4.22Å; W42-L73 HydrophobicContact CD2-CB 3.71Å; W42-L73 HydrophobicContact CD2-CD2 3.77Å; W42-L73 HydrophobicContact CD2-CG 4.36Å; W42-L73 HydrophobicContact CE3-CB 4.29Å; W42-L73 HydrophobicContact CE3-CD2 3.68Å; W42-L73 HydrophobicContact CG-CB 3.93Å; W42-L73 HydrophobicContact CG-CD2 4.03Å; W42-L73 HydrophobicContact CG-CG 4.45Å; W42-L73 HydrophobicContact CH2-CB 4.48Å; W42-L73 HydrophobicContact CZ2-CB 3.95Å; W42-L73 HydrophobicContact CZ3-CD2 4.24Å; V51-L73 HydrophobicContact CG1-CD1 3.98Å; I64-L73 HydrophobicContact CG2-CD1 3.57Å; V66-L73 HydrophobicContact CG2-CD1 3.88Å; L73-F86 HydrophobicContact CD2-CB 4.03Å; L73-F86 HydrophobicContact CD2-CD1 3.88Å; L73-F86 HydrophobicContact CD2-CD2 3.47Å; L73-F86 VanDerWaalsContact CD2-CD2 3.47Å; L73-F86 HydrophobicContact CD2-CE1 4.14Å; L73-F86 HydrophobicContact CD2-CE2 3.73Å; L73-F86 HydrophobicContact CD2-CG 3.54Å; L73-F86 HydrophobicContact CD2-CZ 4.06Å |
| 74 | L | 90.5 | Very high | 84.5 | Confident | 55 Ų | 55 | 63 Ų | 63 | 29% | 0.288 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 132.5 | -178.4 | -174.2 | 145.4 | 0 | 0 | 0 | 110.5 | V25 L26 I64 H65 | V25-L74 HydrophobicContact CG1-CD1 3.88Å; V25-L74 HydrophobicContact CG1-CD2 4.14Å; V25-L74 HydrophobicContact CG1-CG 3.91Å; L26-L74 CarbonylContact O-C 3.58Å; L26-L74 VanDerWaalsContact O-CA 3.26Å; L26-L74 WeakPolarHBondContact O-CA 3.28Å; I64-L74 WeakPolarHBondContact CA-O 3.26Å; H65-L74 PolarHBondContact N-O 2.83Å; H65-L74 PolarHBondContact O-N 2.91Å |
| 75 | V | 88.9 | Confident | 84.9 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 117.2 | 174.2 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | V25 L26 F28 G63 I64 P78 Y84 F86 | V25-V75 WeakPolarHBondContact CA-O 3.43Å; L26-V75 HydrophobicContact CB-CB 4.22Å; L26-V75 HydrophobicContact CD1-CB 4.19Å; L26-V75 HydrophobicContact CG-CB 4.37Å; L26-V75 PolarHBondContact N-O 3.2Å; L26-V75 PolarHBondContact O-N 3.44Å; F28-V75 HydrophobicContact CE2-CG2 4.4Å; G63-V75 WeakPolarHBondContact O-CA 3.34Å; I64-V75 HydrophobicContact CG1-CG1 4.33Å; I64-V75 HydrophobicContact CG1-CG2 4.31Å; I64-V75 HydrophobicContact CG2-CG2 4.4Å; V75-P78 HydrophobicContact CG1-CB 3.97Å; V75-Y84 HydrophobicContact CG1-CD1 4.31Å; V75-Y84 HydrophobicContact CG1-CE1 3.84Å; V75-Y84 HydrophobicContact CG2-CD1 4.46Å; V75-F86 HydrophobicContact CG2-CE2 4.06Å; V75-F86 HydrophobicContact CG2-CZ 4.32Å |
| 76 | S | 86.4 | Confident | 85.2 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.3 | -178.8 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | T61 S62 G63 | T61-S76 VanDerWaalsContact O-CB 3.26Å; T61-S76 WeakPolarHBondContact O-CB 3.33Å; T61-S76 PolarHBondContact O-OG 2.94Å; S62-S76 WeakPolarHBondContact CA-O 3.43Å; S62-S76 WeakPolarHBondContact CA-OG 3.04Å; G63-S76 PolarHBondContact N-O 3.4Å; G63-S76 PolarHBondContact N-OG 2.85Å; G63-S76 PolarHBondContact O-N 3.23Å; G63-S76 PolarHBondContact O-OG 3.03Å |
| 77 | S | 83 | Confident | 85.6 | Confident | 80 Ų | 80 | 62 Ų | 62 | 56% | 0.559 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 55.2 | 50 | -171.5 | -51.4 | 0 | 0 | 0 | 0 | 114.8 | S24 | S24-S77 PolarHBondContact O-N 2.86Š|
| 78 | P | 83.5 | Confident | 86 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 135.2 | -179.4 | 25.2 | -31.4 | 0 | 0 | 0 | 112.8 | S24 L26 V75 R80 Y84 S107 | S24-P78 WeakPolarHBondContact O-CD 3.02Å; L26-P78 HydrophobicContact CD1-CB 4.11Å; L26-P78 HydrophobicContact CD1-CG 4.11Å; L26-P78 HydrophobicContact CD2-CG 4.37Å; L26-P78 HydrophobicContact CG-CG 3.98Å; V75-P78 HydrophobicContact CG1-CB 3.97Å; P78-R80 PolarHBondContact O-N 2.85Å; P78-Y84 WeakPolarHBondContact CA-OH 3.4Å; P78-Y84 HydrophobicContact CB-CD2 4.22Å; P78-Y84 HydrophobicContact CB-CE2 3.41Å; P78-Y84 VanDerWaalsContact CB-CE2 3.41Å; P78-S107 WeakPolarHBondContact CG-OG 3.25Å; P78-S107 PolarHBondContact O-OG 2.9Å |
| 79 | E | 80.6 | Confident | 86.7 | Confident | 109 Ų | 109 | 55.9 Ų | 55.9 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 132.7 | -175.4 | -72 | 152.8 | -114.7 | 0 | 0 | 112.4 | G81 K82 Y84 | E79-G81 PolarHBondContact O-N 2.7Å; E79-K82 HydrophobicContact CB-CB 3.75Å; E79-K82 HydrophobicContact CB-CD 3.85Å; E79-K82 VanDerWaalsContact CD-CD 3.41Å; E79-K82 HydrophobicContact CG-CD 4.22Å; E79-K82 WeakPolarHBondContact O-CB 3.15Å; E79-K82 PolarHBondContact O-N 3.23Å; E79-K82 WeakPolarHBondContact OE1-CD 3.5Å; E79-K82 IonicContact OE1-NZ 2.62Å; E79-K82 PolarHBondContact OE1-NZ 3.4Å; E79-K82 WeakPolarHBondContact OE2-CD 3.4Å; E79-K82 IonicContact OE2-NZ 2.98Å; E79-K82 PolarHBondContact OE2-NZ 2.88Å; E79-Y84 PolarHBondContact N-OH 3.16Å |
| 80 | R | 78.4 | Confident | 87.4 | Confident | 194 Ų | 194 | 49.4 Ų | 49.4 | 73% | 0.732 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 118.7 | -179.9 | -175.3 | -177.5 | -179.9 | -170.5 | 1.4 | 110.6 | P78 Y109 | P78-R80 PolarHBondContact O-N 2.85Å; R80-Y109 HydrophobicContact CG-CD1 4.22Å |
| 81 | G | 71.6 | Confident | 87.7 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -7.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E79 | E79-G81 PolarHBondContact O-N 2.7Š|
| 82 | K | 81.6 | Confident | 87.9 | Confident | 87 Ų | 87 | 45 Ų | 45 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | trans | -84.9 | 121.8 | 175.4 | -168.7 | 163.3 | -176.9 | 168.8 | 0 | 110.2 | E79 Y84 | E79-K82 HydrophobicContact CB-CB 3.75Å; E79-K82 HydrophobicContact CB-CD 3.85Å; E79-K82 VanDerWaalsContact CD-CD 3.41Å; E79-K82 HydrophobicContact CG-CD 4.22Å; E79-K82 WeakPolarHBondContact O-CB 3.15Å; E79-K82 PolarHBondContact O-N 3.23Å; E79-K82 WeakPolarHBondContact OE1-CD 3.5Å; E79-K82 IonicContact OE1-NZ 2.62Å; E79-K82 PolarHBondContact OE1-NZ 3.4Å; E79-K82 WeakPolarHBondContact OE2-CD 3.4Å; E79-K82 IonicContact OE2-NZ 2.98Å; E79-K82 PolarHBondContact OE2-NZ 2.88Å; K82-Y84 HydrophobicContact CB-CE2 3.93Å; K82-Y84 HydrophobicContact CD-CE1 4.39Å; K82-Y84 HydrophobicContact CD-CE2 4.1Å; K82-Y84 HydrophobicContact CG-CD2 4.27Å; K82-Y84 HydrophobicContact CG-CE2 3.81Å | ||
| 83 | L | 85.8 | Confident | 87.9 | Confident | 76 Ų | 76 | 44 Ų | 44 | 40% | 0.398 | 24% | 0.235 | S | C | . | . | trans | -93.7 | 109.9 | 171.3 | -173 | 63.8 | 0 | 0 | 0 | 108.4 | F20 R104 L139 | F20-L83 HydrophobicContact CE1-CD1 3.97Å; F20-L83 HydrophobicContact CZ-CD1 4.47Å; L83-R104 HydrophobicContact CD1-CB 4.07Å; L83-L139 HydrophobicContact CD1-CD2 3.9Å | ||
| 84 | Y | 89.3 | Confident | 87.5 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 9% | 0.09 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 142.8 | 172.3 | -62.7 | -102.6 | 0 | 0 | 0 | 108.6 | L26 I64 V75 P78 E79 K82 F86 R104 G105 | L26-Y84 HydrophobicContact CD1-CD2 4.12Å; I64-Y84 HydrophobicContact CD1-CE1 4.43Å; V75-Y84 HydrophobicContact CG1-CD1 4.31Å; V75-Y84 HydrophobicContact CG1-CE1 3.84Å; V75-Y84 HydrophobicContact CG2-CD1 4.46Å; P78-Y84 WeakPolarHBondContact CA-OH 3.4Å; P78-Y84 HydrophobicContact CB-CD2 4.22Å; P78-Y84 HydrophobicContact CB-CE2 3.41Å; P78-Y84 VanDerWaalsContact CB-CE2 3.41Å; E79-Y84 PolarHBondContact N-OH 3.16Å; K82-Y84 HydrophobicContact CB-CE2 3.93Å; K82-Y84 HydrophobicContact CD-CE1 4.39Å; K82-Y84 HydrophobicContact CD-CE2 4.1Å; K82-Y84 HydrophobicContact CG-CD2 4.27Å; K82-Y84 HydrophobicContact CG-CE2 3.81Å; Y84-F86 HydrophobicContact CD1-CE2 4.23Å; Y84-F86 AromaticContact CD1-CZ 3.98Å; Y84-F86 HydrophobicContact CD1-CZ 3.98Å; Y84-F86 HydrophobicContact CG-CE2 4.38Å; Y84-R104 CarbonylContact O-C 3.49Å; Y84-R104 VanDerWaalsContact O-CA 3.29Å; Y84-R104 WeakPolarHBondContact O-CA 3.29Å; Y84-G105 PolarHBondContact N-O 2.86Å; Y84-G105 PolarHBondContact O-N 3.12Å |
| 85 | S | 91.8 | Very high | 87.5 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 19% | 0.189 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 120.1 | -177.8 | -166.5 | 0 | 0 | 0 | 0 | 110.3 | A45 V103 | A45-S85 PolarHBondContact N-O 3.21Å; S85-V103 CarbonylContact C-O 3.59Å; S85-V103 VanDerWaalsContact CA-O 3.3Å; S85-V103 WeakPolarHBondContact CA-O 3.48Å |
| 86 | F | 93.4 | Very high | 87.7 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 156.1 | -168.7 | -60.7 | -63.7 | 0 | 0 | 0 | 113.1 | F28 W42 Y43 V51 L73 V75 Y84 P102 V103 | F28-F86 HydrophobicContact CD2-CD2 4.02Å; F28-F86 HydrophobicContact CD2-CE2 4.3Å; F28-F86 AromaticContact CE2-CD2 3.7Å; F28-F86 HydrophobicContact CE2-CD2 3.7Å; F28-F86 AromaticContact CE2-CE2 3.77Å; F28-F86 HydrophobicContact CE2-CE2 3.77Å; F28-F86 HydrophobicContact CZ-CD2 4.08Å; F28-F86 HydrophobicContact CZ-CE2 4.36Å; W42-F86 HydrophobicContact CE3-CB 4.13Å; W42-F86 HydrophobicContact CZ3-CB 4.28Å; Y43-F86 CarbonylContact O-C 3.6Å; Y43-F86 VanDerWaalsContact O-CA 3.29Å; Y43-F86 WeakPolarHBondContact O-CA 3.3Å; V51-F86 HydrophobicContact CG2-CD1 3.8Å; V51-F86 HydrophobicContact CG2-CE1 3.74Å; L73-F86 HydrophobicContact CD2-CB 4.03Å; L73-F86 HydrophobicContact CD2-CD1 3.88Å; L73-F86 HydrophobicContact CD2-CD2 3.47Å; L73-F86 VanDerWaalsContact CD2-CD2 3.47Å; L73-F86 HydrophobicContact CD2-CE1 4.14Å; L73-F86 HydrophobicContact CD2-CE2 3.73Å; L73-F86 HydrophobicContact CD2-CG 3.54Å; L73-F86 HydrophobicContact CD2-CZ 4.06Å; V75-F86 HydrophobicContact CG2-CE2 4.06Å; V75-F86 HydrophobicContact CG2-CZ 4.32Å; Y84-F86 HydrophobicContact CD1-CE2 4.23Å; Y84-F86 AromaticContact CD1-CZ 3.98Å; Y84-F86 HydrophobicContact CD1-CZ 3.98Å; Y84-F86 HydrophobicContact CG-CE2 4.38Å; F86-P102 CarbonylContact O-C 3.47Å; F86-P102 WeakPolarHBondContact O-CA 3.03Å; F86-P102 WeakPolarHBondContact O-CB 3.42Å; F86-V103 HydrophobicContact CB-CG2 4.32Å; F86-V103 PolarHBondContact N-O 2.64Å; F86-V103 WeakPolarHBondContact O-CG2 3.26Å; F86-V103 PolarHBondContact O-N 2.66Å |
| 87 | Y | 94.2 | Very high | 87.9 | Confident | 44 Ų | 44 | 53 Ų | 53 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.7 | 164.2 | 66.4 | -83.7 | 0 | 0 | 0 | 110.8 | Y43 A45 I98 S99 | Y43-Y87 HydrophobicContact CD2-CE2 4.06Å; Y43-Y87 HydrophobicContact CG-CE1 4.36Å; Y43-Y87 AromaticContact CG-CE2 3.93Å; Y43-Y87 HydrophobicContact CG-CE2 3.93Å; Y43-Y87 AromaticContact CG-CZ 3.76Å; Y43-Y87 PolarHBondContact N-O 2.68Å; Y43-Y87 PolarHBondContact O-N 3.14Å; A45-Y87 HydrophobicContact CB-CD1 4.09Å; Y87-I98 HydrophobicContact CD2-CB 4.15Å; Y87-I98 HydrophobicContact CD2-CG2 4.05Å; Y87-I98 HydrophobicContact CE2-CG2 4Å; Y87-S99 WeakPolarHBondContact CA-OG 3.38Å; Y87-S99 WeakPolarHBondContact CB-OG 3.36Å |
| 88 | C | 93.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 144 | 170.7 | 62.2 | 0 | 0 | 0 | 0 | 110.7 | C30 I40 V41 W42 I98 S99 | C30-C88 HydrophobicContact CB-CB 3.6Å; C30-C88 WeakPolarHBondContact CB-SG 3.29Å; C30-C88 WeakPolarHBondContact SG-CB 3.44Å; C30-C88 CovalentContact SG-SG 2.04Å; C30-C88 PolarHBondContact SG-SG 2.82Å; I40-C88 HydrophobicContact CG2-CB 3.96Å; V41-C88 CarbonylContact O-C 3.53Å; V41-C88 WeakPolarHBondContact O-CA 3.44Å; W42-C88 HydrophobicContact CD2-CB 4.11Å; W42-C88 HydrophobicContact CE3-CB 3.99Å; W42-C88 HydrophobicContact CH2-CB 4.29Å; W42-C88 HydrophobicContact CZ2-CB 4.38Å; W42-C88 HydrophobicContact CZ3-CB 4.09Å; C88-I98 CarbonylContact O-C 3.55Å; C88-I98 VanDerWaalsContact O-CA 3.28Å; C88-I98 WeakPolarHBondContact O-CA 3.4Å; C88-S99 PolarHBondContact N-OG 3.28Å; C88-S99 PolarHBondContact O-N 3.12Å |
| 89 | N | 93.7 | Very high | 88.7 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 13% | 0.134 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 119.2 | 172.1 | -178 | -3.2 | 0 | 0 | 0 | 108.3 | I40 V41 Y43 T97 I98 | I40-N89 WeakPolarHBondContact CA-O 3.18Å; V41-N89 PolarHBondContact N-O 2.83Å; V41-N89 PolarHBondContact O-N 3.03Å; Y43-N89 HydrophobicContact CD2-CB 3.94Å; Y43-N89 HydrophobicContact CE2-CB 3.67Å; N89-T97 CarbonylContact C-O 3.54Å; N89-T97 WeakPolarHBondContact CA-O 3.35Å; N89-T97 PolarHBondContact OD1-O 3.13Å; N89-I98 HydrophobicContact CB-CG2 3.86Å |
| 90 | A | 93.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P10 I12 A32 P38 I39 I40 W96 T97 | P10-A90 HydrophobicContact CB-CB 4.05Å; P10-A90 VanDerWaalsContact CB-O 3.31Å; P10-A90 WeakPolarHBondContact CB-O 3.32Å; P10-A90 WeakPolarHBondContact CG-O 3.43Å; I12-A90 HydrophobicContact CG1-CB 4.17Å; A32-A90 HydrophobicContact CB-CB 3.39Å; P38-A90 HydrophobicContact CB-CB 4.32Å; I39-A90 WeakPolarHBondContact O-CA 3.41Å; I40-A90 HydrophobicContact CG1-CB 4.48Å; A90-W96 CarbonylContact O-C 3.52Å; A90-W96 VanDerWaalsContact O-CA 3.24Å; A90-W96 WeakPolarHBondContact O-CA 3.19Å; A90-T97 HydrophobicContact CB-CG2 4.16Å; A90-T97 PolarHBondContact N-O 3.49Å; A90-T97 PolarHBondContact O-N 3.12Å |
| 91 | S | 92 | Very high | 89.2 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.7 | -171.4 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | P38 I39 | P38-S91 CarbonylContact C-O 3.51Å; P38-S91 VanDerWaalsContact CA-O 3.23Å; P38-S91 WeakPolarHBondContact CA-O 3.41Å; I39-S91 PolarHBondContact N-O 2.89Å; I39-S91 PolarHBondContact O-N 3.3Å |
| 92 | N | 91.9 | Very high | 90.1 | Very high | 30 Ų | 30 | 47.8 Ų | 47.8 | 16% | 0.16 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | -175.2 | 170.9 | 74.5 | 6.7 | 0 | 0 | 0 | 110.9 | I8 P10 Y35 P36 P38 A94 G95 | I8-N92 PolarHBondContact O-ND2 3.49Å; P10-N92 WeakPolarHBondContact CD-OD1 3.29Å; P10-N92 HydrophobicContact CG-CB 4.14Å; Y35-N92 PolarHBondContact N-ND2 2.9Å; P36-N92 WeakPolarHBondContact O-CB 3.49Å; P36-N92 PolarHBondContact O-ND2 2.95Å; P38-N92 HydrophobicContact CB-CB 4.5Å; N92-A94 PolarHBondContact O-N 3.41Å; N92-A94 WeakPolarHBondContact OD1-CA 3.27Å; N92-A94 VanDerWaalsContact OD1-CB 3.31Å; N92-A94 WeakPolarHBondContact OD1-CB 3.03Å; N92-A94 PolarHBondContact OD1-N 2.67Å; N92-G95 PolarHBondContact N-O 3.47Å; N92-G95 PolarHBondContact O-N 3.03Å; N92-G95 VanDerWaalsContact O-O 3.05Å; N92-G95 PolarHBondContact OD1-N 3.25Å; N92-G95 VanDerWaalsContact OD1-N 3.13Å; N92-G95 PolarHBondContact OD1-O 2.99Å |
| 93 | S | 90.3 | Very high | 90.5 | Very high | 66 Ų | 66 | 44 Ų | 44 | 46% | 0.462 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -7.7 | -179.6 | 64.3 | 0 | 0 | 0 | 0 | 115.3 | W7 P36 | W7-S93 VanDerWaalsContact CZ3-O 3.26Å; W7-S93 WeakPolarHBondContact CZ3-O 3.4Å; P36-S93 VanDerWaalsContact CD-OG 3.29Å; P36-S93 WeakPolarHBondContact CD-OG 3.46Å |
| 94 | A | 83.9 | Confident | 90.8 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 21% | 0.207 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -22.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W7 K9 N92 | W7-A94 HydrophobicContact CB-CB 3.99Å; K9-A94 WeakPolarHBondContact CE-O 3.36Å; K9-A94 HydrophobicContact CG-CB 4.22Å; K9-A94 WeakPolarHBondContact CG-O 3.42Å; N92-A94 PolarHBondContact O-N 3.41Å; N92-A94 WeakPolarHBondContact OD1-CA 3.27Å; N92-A94 VanDerWaalsContact OD1-CB 3.31Å; N92-A94 WeakPolarHBondContact OD1-CB 3.03Å; N92-A94 PolarHBondContact OD1-N 2.67Å |
| 95 | G | 89.7 | Confident | 90.8 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 21% | 0.206 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | -163.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P10 N92 | P10-G95 VanDerWaalsContact CD-C 3.46Å; P10-G95 VanDerWaalsContact CD-O 3.26Å; P10-G95 WeakPolarHBondContact CD-O 3.38Å; P10-G95 WeakPolarHBondContact CG-O 3.2Å; N92-G95 PolarHBondContact N-O 3.47Å; N92-G95 PolarHBondContact O-N 3.03Å; N92-G95 VanDerWaalsContact O-O 3.05Å; N92-G95 PolarHBondContact OD1-N 3.25Å; N92-G95 VanDerWaalsContact OD1-N 3.13Å; N92-G95 PolarHBondContact OD1-O 2.99Å |
| 96 | W | 92.8 | Very high | 90.7 | Very high | 170 Ų | 170 | 43 Ų | 43 | 64% | 0.644 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 162.1 | 179.3 | 59.9 | -90.3 | 0 | 0 | 0 | 111.4 | A90 I98 | A90-W96 CarbonylContact O-C 3.52Å; A90-W96 VanDerWaalsContact O-CA 3.24Å; A90-W96 WeakPolarHBondContact O-CA 3.19Å; W96-I98 HydrophobicContact CE3-CG2 4.05Å; W96-I98 HydrophobicContact CZ3-CD1 4.37Å; W96-I98 HydrophobicContact CZ3-CG1 4.26Å; W96-I98 HydrophobicContact CZ3-CG2 3.92Å |
| 97 | T | 91.8 | Very high | 90.4 | Very high | 46 Ų | 46 | 43.2 Ų | 43.2 | 28% | 0.282 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 155.5 | 172.5 | -166.4 | 0 | 0 | 0 | 0 | 110.5 | P10 I12 N89 A90 | P10-T97 HydrophobicContact CB-CG2 4.14Å; P10-T97 VanDerWaalsContact O-CG2 3.27Å; P10-T97 WeakPolarHBondContact O-CG2 3.15Å; I12-T97 HydrophobicContact CD1-CG2 3.96Å; I12-T97 HydrophobicContact CG1-CG2 3.85Å; N89-T97 CarbonylContact C-O 3.54Å; N89-T97 WeakPolarHBondContact CA-O 3.35Å; N89-T97 PolarHBondContact OD1-O 3.13Å; A90-T97 HydrophobicContact CB-CG2 4.16Å; A90-T97 PolarHBondContact N-O 3.49Å; A90-T97 PolarHBondContact O-N 3.12Å |
| 98 | I | 92.7 | Very high | 90.1 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 28% | 0.277 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 147.2 | -177.2 | 54.5 | 174.6 | 0 | 0 | 0 | 111.8 | I12 Y87 C88 N89 W96 Q100 | I12-I98 VanDerWaalsContact CD1-C 3.48Å; Y87-I98 HydrophobicContact CD2-CB 4.15Å; Y87-I98 HydrophobicContact CD2-CG2 4.05Å; Y87-I98 HydrophobicContact CE2-CG2 4Å; C88-I98 CarbonylContact O-C 3.55Å; C88-I98 VanDerWaalsContact O-CA 3.28Å; C88-I98 WeakPolarHBondContact O-CA 3.4Å; N89-I98 HydrophobicContact CB-CG2 3.86Å; W96-I98 HydrophobicContact CE3-CG2 4.05Å; W96-I98 HydrophobicContact CZ3-CD1 4.37Å; W96-I98 HydrophobicContact CZ3-CG1 4.26Å; W96-I98 HydrophobicContact CZ3-CG2 3.92Å; I98-Q100 HydrophobicContact CD1-CG 4.32Å; I98-Q100 HydrophobicContact CG1-CG 4.24Å; I98-Q100 PolarHBondContact O-N 3Å |
| 99 | S | 90.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | trans | -69 | 127.1 | 171.9 | 60.3 | 0 | 0 | 0 | 0 | 110.4 | I12 Y87 C88 | I12-S99 VanDerWaalsContact CD1-N 3.31Å; Y87-S99 WeakPolarHBondContact CA-OG 3.38Å; Y87-S99 WeakPolarHBondContact CB-OG 3.36Å; C88-S99 PolarHBondContact N-OG 3.28Å; C88-S99 PolarHBondContact O-N 3.12Å | ||
| 100 | Q | 83.5 | Confident | 89.7 | Confident | 116 Ų | 116 | 44 Ų | 44 | 54% | 0.542 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -134.3 | 137.7 | 173.6 | -71.5 | -63.9 | -31.8 | 0 | 0 | 109.6 | I98 | I98-Q100 HydrophobicContact CD1-CG 4.32Å; I98-Q100 HydrophobicContact CG1-CG 4.24Å; I98-Q100 PolarHBondContact O-N 3Å |
| 101 | P | 86.4 | Confident | 89.5 | Confident | 103 Ų | 103 | 45.7 Ų | 45.7 | 67% | 0.669 | 25% | 0.248 | S | C | * | . | S | Bend | cis | -66.8 | 169 | -7 | 31.7 | -37.1 | 0 | 0 | 0 | 112.7 | ||
| 102 | P | 88.6 | Confident | 89.2 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 147.8 | 168.2 | -18.6 | 32.8 | 0 | 0 | 0 | 111.5 | A45 F86 | A45-P102 HydrophobicContact CB-CB 3.69Å; A45-P102 HydrophobicContact CB-CG 4.03Å; F86-P102 CarbonylContact O-C 3.47Å; F86-P102 WeakPolarHBondContact O-CA 3.03Å; F86-P102 WeakPolarHBondContact O-CB 3.42Å |
| 103 | V | 91.7 | Very high | 89 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 146.8 | 179.5 | -71.1 | 0 | 0 | 0 | 0 | 112.6 | P16 S17 F28 W42 S85 F86 | P16-V103 VanDerWaalsContact C-CG1 3.45Å; P16-V103 HydrophobicContact CB-CB 4.41Å; P16-V103 HydrophobicContact CB-CG1 3.79Å; P16-V103 HydrophobicContact CB-CG2 3.92Å; P16-V103 HydrophobicContact CG-CB 4.41Å; P16-V103 HydrophobicContact CG-CG1 3.71Å; P16-V103 HydrophobicContact CG-CG2 3.81Å; P16-V103 VanDerWaalsContact O-CG1 3.22Å; P16-V103 WeakPolarHBondContact O-CG1 3.29Å; S17-V103 VanDerWaalsContact C-CG1 3.49Å; S17-V103 WeakPolarHBondContact O-CG1 3.41Å; F28-V103 HydrophobicContact CD1-CB 4.26Å; F28-V103 HydrophobicContact CD1-CG2 3.72Å; F28-V103 HydrophobicContact CE1-CB 4.4Å; F28-V103 HydrophobicContact CE1-CG2 4.13Å; F28-V103 HydrophobicContact CG-CG2 4.46Å; W42-V103 HydrophobicContact CZ3-CG2 4.42Å; S85-V103 CarbonylContact C-O 3.59Å; S85-V103 VanDerWaalsContact CA-O 3.3Å; S85-V103 WeakPolarHBondContact CA-O 3.48Å; F86-V103 HydrophobicContact CB-CG2 4.32Å; F86-V103 PolarHBondContact N-O 2.64Å; F86-V103 WeakPolarHBondContact O-CG2 3.26Å; F86-V103 PolarHBondContact O-N 2.66Å |
| 104 | R | 91.4 | Very high | 89 | Confident | 105 Ų | 105 | 52.3 Ų | 52.3 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 148.6 | -172.4 | -56.1 | 173.1 | -64.8 | 172.9 | 2.1 | 111.1 | D18 V19 F20 L83 Y84 | D18-R104 CarbonylContact C-O 3.59Å; D18-R104 WeakPolarHBondContact CA-O 3.33Å; D18-R104 WeakPolarHBondContact OD1-CB 3.39Å; D18-R104 PolarHBondContact OD1-N 3.22Å; D18-R104 IonicContact OD1-NE 2.6Å; D18-R104 IonicContact OD2-CZ 3.78Å; D18-R104 VanDerWaalsContact OD2-CZ 3.25Å; D18-R104 IonicContact OD2-NE 2.63Å; D18-R104 PolarHBondContact OD2-NE 2.63Å; D18-R104 IonicContact OD2-NH2 2.72Å; D18-R104 PolarHBondContact OD2-NH2 2.82Å; V19-R104 PolarHBondContact N-O 2.93Å; F20-R104 HydrophobicContact CZ-CB 4.46Å; L83-R104 HydrophobicContact CD1-CB 4.07Å; Y84-R104 CarbonylContact O-C 3.49Å; Y84-R104 VanDerWaalsContact O-CA 3.29Å; Y84-R104 WeakPolarHBondContact O-CA 3.29Å |
| 105 | G | 89.7 | Confident | 89.2 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 167.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116 | V19 Y84 | V19-G105 WeakPolarHBondContact O-CA 3.38Å; Y84-G105 PolarHBondContact N-O 2.86Å; Y84-G105 PolarHBondContact O-N 3.12Å |
| 106 | G | 89 | Confident | 89.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | 167.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V19 S21 V108 | V19-G106 PolarHBondContact O-N 3.47Å; S21-G106 PolarHBondContact N-O 3.16Å; G106-V108 PolarHBondContact O-N 3.38Å |
| 107 | S | 87.9 | Confident | 89.2 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 127.5 | 170.3 | -78.4 | 0 | 0 | 0 | 0 | 111 | P78 | P78-S107 WeakPolarHBondContact CG-OG 3.25Å; P78-S107 PolarHBondContact O-OG 2.9Å |
| 108 | V | 88 | Confident | 89.2 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | trans | -72.8 | 144.5 | -178.8 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | F20 S21 T22 G106 L139 I203 A204 | F20-V108 HydrophobicContact CB-CG1 3.79Å; S21-V108 WeakPolarHBondContact O-CG1 2.95Å; S21-V108 WeakPolarHBondContact O-CG2 3.15Å; S21-V108 PolarHBondContact O-N 3.32Å; S21-V108 VanDerWaalsContact O-N 3.12Å; T22-V108 HydrophobicContact CG2-CG2 3.57Å; G106-V108 PolarHBondContact O-N 3.38Å; V108-L139 CarbonylContact C-O 3.52Å; V108-L139 WeakPolarHBondContact CA-O 3.5Å; V108-L139 WeakPolarHBondContact CB-O 3.47Å; V108-I203 HydrophobicContact CB-CG1 4.38Å; V108-I203 HydrophobicContact CG1-CD1 3.62Å; V108-I203 HydrophobicContact CG1-CG1 3.8Å; V108-A204 HydrophobicContact CB-CB 4.07Å; V108-A204 HydrophobicContact CG2-CB 3.91Å | ||
| 109 | Y | 88.8 | Confident | 89.2 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 16% | 0.161 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 166.7 | 165.8 | 66.6 | -83.4 | 0 | 0 | 0 | 111.6 | R80 I137 G138 L139 N202 A204 | R80-Y109 HydrophobicContact CG-CD1 4.22Å; Y109-I137 HydrophobicContact CE2-CG2 4.31Å; Y109-G138 CarbonylContact O-C 3.51Å; Y109-G138 WeakPolarHBondContact O-CA 3.31Å; Y109-L139 HydrophobicContact CD1-CB 4.23Å; Y109-L139 HydrophobicContact CE1-CB 3.9Å; Y109-L139 HydrophobicContact CE1-CD1 3.82Å; Y109-L139 HydrophobicContact CE1-CG 4.28Å; Y109-L139 PolarHBondContact N-O 3.12Å; Y109-L139 PolarHBondContact O-N 3Å; Y109-N202 PolarHBondContact O-ND2 3.38Å; Y109-A204 VanDerWaalsContact CA-CB 3.46Å |
| 110 | I | 89.8 | Confident | 89.2 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.5 | 162.6 | -171.4 | 165.5 | 0 | 0 | 0 | 107.7 | P136 V142 A204 Q207 | I110-P136 HydrophobicContact CG1-CB 4.2Å; I110-P136 HydrophobicContact CG1-CG 4.48Å; I110-V142 HydrophobicContact CD1-CG1 3.64Å; I110-V142 HydrophobicContact CD1-CG2 4.09Å; I110-V142 HydrophobicContact CG1-CG1 4.44Å; I110-V142 HydrophobicContact CG1-CG2 4.08Å; I110-A204 HydrophobicContact CG2-CB 4.41Å; I110-Q207 HydrophobicContact CD1-CB 4.26Å; I110-Q207 HydrophobicContact CD1-CG 3.79Å; I110-Q207 HydrophobicContact CG1-CG 3.89Å; I110-Q207 HydrophobicContact CG2-CG 4.18Å |
| 111 | S | 88.6 | Confident | 89.5 | Confident | 36 Ų | 36 | 57 Ų | 57 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | trans | -72 | 151 | 174.5 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | Q113 P136 I137 Q207 | S111-Q113 VanDerWaalsContact C-N 3.29Å; S111-Q113 PolarHBondContact OG-N 3.36Å; S111-P136 WeakPolarHBondContact O-CB 3.45Å; S111-P136 WeakPolarHBondContact O-CG 3.17Å; S111-I137 VanDerWaalsContact CB-O 3.27Å; S111-I137 WeakPolarHBondContact CB-O 3.32Å; S111-I137 PolarHBondContact N-O 3.38Å; S111-Q207 WeakPolarHBondContact O-CG 3.4Å | ||
| 112 | S | 86.2 | Confident | 89.5 | Confident | 92 Ų | 92 | 55.8 Ų | 55.8 | 64% | 0.643 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -77.5 | -14.1 | 174 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 113 | Q | 87.2 | Confident | 89.4 | Confident | 151 Ų | 151 | 54.8 Ų | 54.8 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -103.8 | 115.3 | -176.6 | -67.1 | 178.3 | -11.1 | 0 | 0 | 110.9 | S111 P136 | S111-Q113 VanDerWaalsContact C-N 3.29Å; S111-Q113 PolarHBondContact OG-N 3.36Å; Q113-P136 VanDerWaalsContact O-CA 3.32Å; Q113-P136 WeakPolarHBondContact O-CA 3.17Å; Q113-P136 VanDerWaalsContact O-CB 3.29Å; Q113-P136 WeakPolarHBondContact O-CB 3.47Å |
| 114 | F | 91.1 | Very high | 88.8 | Confident | 31 Ų | 31 | 58 Ų | 58 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | trans | -60.6 | 144.3 | 164.5 | -80.2 | -102.8 | 0 | 0 | 0 | 110 | I117 P136 A200 Q207 | F114-I117 HydrophobicContact CB-CG2 3.71Å; F114-I117 HydrophobicContact CG-CG2 4.18Å; F114-P136 HydrophobicContact CD1-CG 4.4Å; F114-P136 HydrophobicContact CD2-CG 3.95Å; F114-P136 HydrophobicContact CE2-CG 4.2Å; F114-P136 HydrophobicContact CG-CG 4.06Å; F114-A200 HydrophobicContact CE1-CB 3.9Å; F114-A200 HydrophobicContact CZ-CB 3.93Å; F114-Q207 HydrophobicContact CE2-CB 3.89Å; F114-Q207 HydrophobicContact CZ-CB 4.31Å; F114-Q207 WeakPolarHBondContact CZ-O 3.26Å | ||
| 115 | K | 88 | Confident | 88.3 | Confident | 136 Ų | 136 | 56.7 Ų | 56.7 | 59% | 0.591 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -74.6 | -35.8 | 173.8 | -70.1 | -179.6 | -177.6 | 176.1 | 0 | 111.8 | I134 | K115-I134 HydrophobicContact CB-CB 3.94Å; K115-I134 HydrophobicContact CB-CG2 3.78Å; K115-I134 HydrophobicContact CD-CG2 3.79Å; K115-I134 HydrophobicContact CG-CG2 4.37Å; K115-I134 PolarHBondContact N-O 2.79Å |
| 116 | Q | 90.2 | Very high | 87.7 | Confident | 69 Ų | 69 | 58.7 Ų | 58.7 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -143.6 | 130.8 | 173 | -178.5 | 58.6 | 50.7 | 0 | 0 | 108.3 | E132 I134 | Q116-E132 HydrophobicContact CG-CB 4.01Å; Q116-I134 HydrophobicContact CB-CB 3.87Å; Q116-I134 HydrophobicContact CB-CD1 3.96Å; Q116-I134 HydrophobicContact CB-CG1 3.82Å; Q116-I134 PolarHBondContact N-O 2.88Å; Q116-I134 PolarHBondContact O-N 2.89Å |
| 117 | I | 91.8 | Very high | 87.5 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 36% | 0.359 | 32% | 0.321 | S | S | . | . | trans | -99.8 | 154.3 | 173.6 | 57.3 | 171.6 | 0 | 0 | 0 | 110.3 | F114 E132 P210 | F114-I117 HydrophobicContact CB-CG2 3.71Å; F114-I117 HydrophobicContact CG-CG2 4.18Å; I117-E132 CarbonylContact C-O 3.41Å; I117-P210 HydrophobicContact CD1-CG 4.2Å | ||
| 118 | P | 92.8 | Very high | 87.4 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | trans | -64.9 | 149.9 | 170.4 | 28.7 | -35.5 | 0 | 0 | 0 | 111.2 | E132 W146 C198 S209 P210 A212 | P118-E132 VanDerWaalsContact CA-O 3.23Å; P118-E132 WeakPolarHBondContact CA-O 3.41Å; P118-W146 HydrophobicContact CB-CH2 3.95Å; P118-W146 HydrophobicContact CB-CZ3 4.07Å; P118-W146 HydrophobicContact CG-CH2 4.4Å; P118-W146 HydrophobicContact CG-CZ3 4.33Å; P118-C198 HydrophobicContact CG-CB 4.47Å; P118-S209 WeakPolarHBondContact CG-OG 3.4Å; P118-P210 WeakPolarHBondContact CG-O 3.32Å; P118-A212 HydrophobicContact CB-CB 3.85Å; P118-A212 HydrophobicContact CG-CB 4.34Å | ||
| 119 | V | 91.7 | Very high | 87.5 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | trans | -131.1 | 148 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | M131 | V119-M131 WeakPolarHBondContact O-CE 3.34Š| ||
| 120 | D | 91.8 | Very high | 87.7 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | trans | -57 | 136.1 | 179.2 | -67.6 | -1.5 | 0 | 0 | 0 | 111.9 | A212 Y213 | D120-A212 VanDerWaalsContact OD1-CA 3.25Å; D120-A212 WeakPolarHBondContact OD1-CA 3.37Å; D120-Y213 CarbonylContact C-O 3.59Å; D120-Y213 VanDerWaalsContact CA-O 3.29Å; D120-Y213 WeakPolarHBondContact CA-O 3.44Å; D120-Y213 PolarHBondContact OD1-N 2.81Å | ||
| 121 | K | 89.4 | Confident | 87.9 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 27% | 0.27 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.6 | 179 | -67.4 | -171.4 | -179.2 | -172.6 | 0 | 111.7 | V130 M131 E132 Y213 L214 I215 | K121-V130 PolarHBondContact NZ-O 2.83Å; K121-M131 HydrophobicContact CB-SD 4.43Å; K121-M131 HydrophobicContact CD-SD 4.2Å; K121-M131 HydrophobicContact CG-SD 4.44Å; K121-E132 IonicContact NZ-OE1 2.67Å; K121-E132 PolarHBondContact NZ-OE1 2.03Å; K121-Y213 PolarHBondContact N-O 2.89Å; K121-L214 HydrophobicContact CB-CD1 4.32Å; K121-L214 WeakPolarHBondContact O-CA 3.42Å; K121-I215 PolarHBondContact O-N 3.07Å |
| 122 | T | 86.5 | Confident | 88.1 | Confident | 78 Ų | 78 | 62 Ų | 62 | 48% | 0.479 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.2 | 170.2 | -62.2 | 0 | 0 | 0 | 0 | 109.1 | I215 K217 | T122-I215 CarbonylContact C-O 3.44Å; T122-I215 VanDerWaalsContact CA-O 3.32Å; T122-I215 WeakPolarHBondContact CA-O 3.4Å; T122-I215 HydrophobicContact CG2-CB 4.35Å; T122-I215 HydrophobicContact CG2-CG2 4.26Å; T122-K217 HydrophobicContact CG2-CD 3.95Å; T122-K217 HydrophobicContact CG2-CG 4.37Å |
| 123 | V | 84.9 | Confident | 88.4 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 13% | 0.127 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 175.2 | -178.6 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | D127 V129 V188 L214 I215 V216 K217 | V123-D127 HydrophobicContact CB-CB 4.21Å; V123-V129 HydrophobicContact CB-CG2 4.11Å; V123-V129 HydrophobicContact CG1-CG2 3.53Å; V123-V129 HydrophobicContact CG2-CG2 3.66Å; V123-V188 HydrophobicContact CG2-CG1 4.06Å; V123-L214 HydrophobicContact CG2-CD1 4.08Å; V123-I215 PolarHBondContact N-O 2.91Å; V123-V216 HydrophobicContact CG2-CG2 4.22Å; V123-V216 WeakPolarHBondContact O-CA 3.45Å; V123-K217 PolarHBondContact O-N 2.9Å |
| 124 | H | 80.5 | Confident | 88.6 | Confident | 76 Ų | 76 | 53.3 Ų | 53.3 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 156.3 | 172.4 | -50.3 | 84.7 | 0 | 0 | 0 | 111.8 | G126 D127 K217 R219 | H124-G126 PolarHBondContact O-N 2.93Å; H124-D127 WeakPolarHBondContact CA-OD2 3.29Å; H124-D127 WeakPolarHBondContact CB-OD2 3.47Å; H124-D127 IonicContact CG-OD2 3.25Å; H124-D127 PolarHBondContact N-OD2 2.83Å; H124-D127 IonicContact ND1-OD2 3.67Å; H124-D127 PolarHBondContact ND1-OD2 2.99Å; H124-D127 VanDerWaalsContact O-CB 3.24Å; H124-D127 WeakPolarHBondContact O-CB 3.4Å; H124-D127 VanDerWaalsContact O-CG 3.29Å; H124-D127 PolarHBondContact O-N 3.37Å; H124-D127 VanDerWaalsContact O-N 3.09Å; H124-K217 CarbonylContact C-O 3.59Å; H124-K217 WeakPolarHBondContact CA-O 3.4Å; H124-R219 HydrophobicContact CB-CB 4.06Å |
| 125 | E | 80.3 | Confident | 88.7 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 131.9 | 171.8 | -177.5 | 158 | -114.2 | 0 | 0 | 110.9 | I190 V216 K217 | E125-I190 HydrophobicContact CB-CG1 4.4Å; E125-I190 WeakPolarHBondContact OE1-CG1 3.43Å; E125-I190 PolarHBondContact OE1-N 2.89Å; E125-I190 WeakPolarHBondContact OE2-CD1 3.22Å; E125-V216 HydrophobicContact CB-CG1 4.19Å; E125-K217 PolarHBondContact N-O 2.97Å |
| 126 | G | 77.9 | Confident | 88.8 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -17 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H124 V188 | H124-G126 PolarHBondContact O-N 2.93Å; G126-V188 PolarHBondContact N-O 3.48Å |
| 127 | D | 83.3 | Confident | 88.7 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -66 | 161.1 | 177.5 | -64.7 | -11.7 | 0 | 0 | 0 | 111.5 | V123 H124 V188 R219 | V123-D127 HydrophobicContact CB-CB 4.21Å; H124-D127 WeakPolarHBondContact CA-OD2 3.29Å; H124-D127 WeakPolarHBondContact CB-OD2 3.47Å; H124-D127 IonicContact CG-OD2 3.25Å; H124-D127 PolarHBondContact N-OD2 2.83Å; H124-D127 IonicContact ND1-OD2 3.67Å; H124-D127 PolarHBondContact ND1-OD2 2.99Å; H124-D127 VanDerWaalsContact O-CB 3.24Å; H124-D127 WeakPolarHBondContact O-CB 3.4Å; H124-D127 VanDerWaalsContact O-CG 3.29Å; H124-D127 PolarHBondContact O-N 3.37Å; H124-D127 VanDerWaalsContact O-N 3.09Å; D127-V188 WeakPolarHBondContact O-CB 3.34Å; D127-V188 VanDerWaalsContact O-CG2 3.26Å; D127-V188 WeakPolarHBondContact O-CG2 3.49Å; D127-V188 PolarHBondContact O-N 3.34Å; D127-V188 VanDerWaalsContact O-N 3.08Å; D127-R219 IonicContact OD1-CZ 2.94Å; D127-R219 IonicContact OD1-NH2 2.72Å; D127-R219 PolarHBondContact OD1-NH2 3.28Å |
| 128 | K | 87.2 | Confident | 88.5 | Confident | 52 Ų | 52 | 45 Ų | 45 | 23% | 0.226 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -99.8 | 117.9 | 174.5 | -55.4 | -179 | -167.6 | -85.5 | 0 | 109.5 | N186 R1016 K1017 E1018 | K128-N186 HydrophobicContact CG-CB 4.42Å; K128-N186 WeakPolarHBondContact CG-OD1 3.42Å; K128-N186 PolarHBondContact NZ-OD1 2.84Å; K128-R1016 PolarHBondContact NZ-O 3.24Å; K128-K1017 HydrophobicContact CD-CG 4.24Å; K128-E1018 WeakPolarHBondContact CE-O 3.45Å |
| 129 | V | 90 | Very high | 88.1 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 145.2 | 179.6 | 158.6 | 0 | 0 | 0 | 0 | 111.7 | V123 M131 H184 I185 V188 L214 | V123-V129 HydrophobicContact CB-CG2 4.11Å; V123-V129 HydrophobicContact CG1-CG2 3.53Å; V123-V129 HydrophobicContact CG2-CG2 3.66Å; V129-M131 HydrophobicContact CG1-CG 3.99Å; V129-M131 HydrophobicContact CG1-SD 3.87Å; V129-H184 WeakPolarHBondContact O-CA 3.31Å; V129-I185 HydrophobicContact CB-CB 4.33Å; V129-I185 HydrophobicContact CG1-CD1 4.49Å; V129-I185 PolarHBondContact N-O 2.9Å; V129-I185 PolarHBondContact O-N 2.9Å; V129-V188 HydrophobicContact CB-CG2 3.67Å; V129-V188 HydrophobicContact CG2-CG2 3.66Å; V129-L214 HydrophobicContact CG1-CD1 4.26Å; V129-L214 HydrophobicContact CG1-CD2 4.42Å; V129-L214 HydrophobicContact CG2-CD1 4.03Å |
| 130 | V | 92.9 | Very high | 87.7 | Confident | 41 Ų | 41 | 43.2 Ų | 43.2 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 121.9 | 161.2 | -167.1 | 0 | 0 | 0 | 0 | 107.8 | K121 E132 L183 H184 | K121-V130 PolarHBondContact NZ-O 2.83Å; V130-E132 HydrophobicContact CG1-CG 4.41Å; V130-L183 CarbonylContact C-O 3.36Å; V130-L183 WeakPolarHBondContact CA-O 3.42Å; V130-H184 WeakPolarHBondContact CG2-ND1 3.46Å |
| 131 | M | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 105.7 | 165.1 | -56.5 | -59.4 | -73 | 0 | 0 | 106.7 | V119 K121 V129 W146 L183 A212 | V119-M131 WeakPolarHBondContact O-CE 3.34Å; K121-M131 HydrophobicContact CB-SD 4.43Å; K121-M131 HydrophobicContact CD-SD 4.2Å; K121-M131 HydrophobicContact CG-SD 4.44Å; V129-M131 HydrophobicContact CG1-CG 3.99Å; V129-M131 HydrophobicContact CG1-SD 3.87Å; M131-W146 HydrophobicContact CB-CH2 3.58Å; M131-W146 HydrophobicContact CB-CZ2 4.36Å; M131-W146 HydrophobicContact CB-CZ3 3.87Å; M131-W146 WeakPolarHBondContact O-CH2 3.21Å; M131-W146 VanDerWaalsContact O-CZ2 3.25Å; M131-W146 WeakPolarHBondContact O-CZ2 3.36Å; M131-L183 HydrophobicContact CB-CB 4.31Å; M131-L183 PolarHBondContact N-O 2.86Å; M131-L183 PolarHBondContact O-N 3.34Å; M131-A212 HydrophobicContact CE-CB 3.89Å |
| 132 | E | 92.2 | Very high | 87.5 | Confident | 83 Ų | 83 | 43.5 Ų | 43.5 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | trans | -71 | 132.5 | -175.7 | -71.7 | 142.1 | -112.4 | 0 | 0 | 111 | Q116 I117 P118 K121 V130 S182 | Q116-E132 HydrophobicContact CG-CB 4.01Å; I117-E132 CarbonylContact C-O 3.41Å; P118-E132 VanDerWaalsContact CA-O 3.23Å; P118-E132 WeakPolarHBondContact CA-O 3.41Å; K121-E132 IonicContact NZ-OE1 2.67Å; K121-E132 PolarHBondContact NZ-OE1 2.03Å; V130-E132 HydrophobicContact CG1-CG 4.41Å; E132-S182 WeakPolarHBondContact CA-OG 3.46Å | ||
| 133 | C | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -151.6 | 124.7 | 166.9 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | W146 G181 S182 C198 | C133-W146 HydrophobicContact CB-CH2 3.75Å; C133-W146 HydrophobicContact CB-CZ2 3.31Å; C133-G181 CarbonylContact O-C 3.55Å; C133-G181 WeakPolarHBondContact O-CA 3.48Å; C133-S182 PolarHBondContact N-OG 2.91Å; C133-S182 VanDerWaalsContact N-OG 3.14Å; C133-S182 PolarHBondContact O-N 2.8Å; C133-C198 HydrophobicContact CB-CB 3.66Å; C133-C198 WeakPolarHBondContact CB-SG 3.3Å; C133-C198 WeakPolarHBondContact SG-CB 3.49Å; C133-C198 CovalentContact SG-SG 2.03Å; C133-C198 PolarHBondContact SG-SG 2.78Å | ||
| 134 | I | 92.5 | Very high | 87.9 | Confident | 62 Ų | 62 | 42.9 Ų | 42.9 | 32% | 0.318 | 23% | 0.226 | S | C | . | . | B | Isolated β-bridge | trans | -119.3 | 118.5 | 174.4 | -55 | 173.5 | 0 | 0 | 0 | 106.9 | K115 Q116 | K115-I134 HydrophobicContact CB-CB 3.94Å; K115-I134 HydrophobicContact CB-CG2 3.78Å; K115-I134 HydrophobicContact CD-CG2 3.79Å; K115-I134 HydrophobicContact CG-CG2 4.37Å; K115-I134 PolarHBondContact N-O 2.79Å; Q116-I134 HydrophobicContact CB-CB 3.87Å; Q116-I134 HydrophobicContact CB-CD1 3.96Å; Q116-I134 HydrophobicContact CB-CG1 3.82Å; Q116-I134 PolarHBondContact N-O 2.88Å; Q116-I134 PolarHBondContact O-N 2.89Å |
| 135 | P | 91.8 | Very high | 88.4 | Confident | 19 Ų | 19 | 40.4 Ų | 40.4 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 162.6 | -169 | 26.1 | -34.6 | 0 | 0 | 0 | 112.8 | V142 V144 D180 A200 | P135-V142 HydrophobicContact CB-CB 4.26Å; P135-V142 HydrophobicContact CB-CG1 3.99Å; P135-V144 HydrophobicContact CB-CG2 3.79Å; P135-V144 HydrophobicContact CG-CG2 3.85Å; P135-D180 WeakPolarHBondContact CD-O 3.41Å; P135-A200 HydrophobicContact CB-CB 3.71Å |
| 136 | P | 91.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 153.6 | 169.5 | -18.7 | 30.9 | 0 | 0 | 0 | 112 | I110 S111 Q113 F114 G138 A200 Q207 | I110-P136 HydrophobicContact CG1-CB 4.2Å; I110-P136 HydrophobicContact CG1-CG 4.48Å; S111-P136 WeakPolarHBondContact O-CB 3.45Å; S111-P136 WeakPolarHBondContact O-CG 3.17Å; Q113-P136 VanDerWaalsContact O-CA 3.32Å; Q113-P136 WeakPolarHBondContact O-CA 3.17Å; Q113-P136 VanDerWaalsContact O-CB 3.29Å; Q113-P136 WeakPolarHBondContact O-CB 3.47Å; F114-P136 HydrophobicContact CD1-CG 4.4Å; F114-P136 HydrophobicContact CD2-CG 3.95Å; F114-P136 HydrophobicContact CE2-CG 4.2Å; F114-P136 HydrophobicContact CG-CG 4.06Å; P136-G138 PolarHBondContact O-N 2.92Å; P136-A200 HydrophobicContact CG-CB 4.45Å; P136-Q207 HydrophobicContact CG-CB 4.08Å; P136-Q207 HydrophobicContact CG-CG 4.28Å |
| 137 | I | 88 | Confident | 89.5 | Confident | 97 Ų | 97 | 36.2 Ų | 36.2 | 50% | 0.497 | 18% | 0.184 | S | C | . | . | P | Polyproline II helix | trans | -65.5 | 131.8 | 170.4 | -57.3 | 174.1 | 0 | 0 | 0 | 108.9 | Y109 S111 | Y109-I137 HydrophobicContact CE2-CG2 4.31Å; S111-I137 VanDerWaalsContact CB-O 3.27Å; S111-I137 WeakPolarHBondContact CB-O 3.32Å; S111-I137 PolarHBondContact N-O 3.38Å |
| 138 | G | 87.4 | Confident | 89.8 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 163 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y109 P136 P140 | Y109-G138 CarbonylContact O-C 3.51Å; Y109-G138 WeakPolarHBondContact O-CA 3.31Å; P136-G138 PolarHBondContact O-N 2.92Å; G138-P140 CarbonylContact C-O 3.57Å |
| 139 | L | 84.7 | Confident | 89.7 | Confident | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.1 | 177 | -92.8 | 161.9 | 0 | 0 | 0 | 108.4 | F20 L83 V108 Y109 N202 | F20-L139 HydrophobicContact CE1-CD2 3.89Å; L83-L139 HydrophobicContact CD1-CD2 3.9Å; V108-L139 CarbonylContact C-O 3.52Å; V108-L139 WeakPolarHBondContact CA-O 3.5Å; V108-L139 WeakPolarHBondContact CB-O 3.47Å; Y109-L139 HydrophobicContact CD1-CB 4.23Å; Y109-L139 HydrophobicContact CE1-CB 3.9Å; Y109-L139 HydrophobicContact CE1-CD1 3.82Å; Y109-L139 HydrophobicContact CE1-CG 4.28Å; Y109-L139 PolarHBondContact N-O 3.12Å; Y109-L139 PolarHBondContact O-N 3Å; L139-N202 PolarHBondContact O-ND2 3.19Å |
| 140 | P | 83.8 | Confident | 89.4 | Confident | 27 Ų | 27 | 43.6 Ų | 43.6 | 18% | 0.175 | 22% | 0.224 | C | C | . | . | S | Bend | cis | -58.7 | 170.9 | -13.9 | 30.2 | -37.2 | 0 | 0 | 0 | 112.2 | F20 G138 V142 N202 I203 | F20-P140 HydrophobicContact CB-CG 4.4Å; F20-P140 HydrophobicContact CD1-CB 4.25Å; F20-P140 HydrophobicContact CD2-CB 3.85Å; F20-P140 HydrophobicContact CD2-CG 4.3Å; F20-P140 HydrophobicContact CE1-CB 4.33Å; F20-P140 HydrophobicContact CE2-CB 3.93Å; F20-P140 HydrophobicContact CG-CB 4.01Å; F20-P140 HydrophobicContact CG-CG 4.26Å; F20-P140 HydrophobicContact CZ-CB 4.17Å; G138-P140 CarbonylContact C-O 3.57Å; P140-V142 PolarHBondContact O-N 2.95Å; P140-N202 PolarHBondContact O-ND2 2.67Å; P140-I203 HydrophobicContact CG-CD1 3.96Å; P140-I203 HydrophobicContact CG-CG1 3.8Å |
| 141 | E | 85.9 | Confident | 88.9 | Confident | 153 Ų | 153 | 47.2 Ų | 47.2 | 72% | 0.715 | 24% | 0.242 | S | C | * | . | P | Polyproline II helix | trans | -49.1 | 132.9 | -176.1 | -68.7 | 172.9 | -169.7 | 0 | 0 | 112.8 | ||
| 142 | V | 89.4 | Confident | 88.4 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 12% | 0.115 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -84.8 | 129.5 | -172.6 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | I110 P135 P140 A200 N202 | I110-V142 HydrophobicContact CD1-CG1 3.64Å; I110-V142 HydrophobicContact CD1-CG2 4.09Å; I110-V142 HydrophobicContact CG1-CG1 4.44Å; I110-V142 HydrophobicContact CG1-CG2 4.08Å; P135-V142 HydrophobicContact CB-CB 4.26Å; P135-V142 HydrophobicContact CB-CG1 3.99Å; P140-V142 PolarHBondContact O-N 2.95Å; V142-A200 HydrophobicContact CG1-CB 3.69Å; V142-N202 HydrophobicContact CG2-CB 4.35Å |
| 143 | K | 89.2 | Confident | 87.9 | Confident | 85 Ų | 85 | 47.4 Ų | 47.4 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 150 | -179.4 | -62.7 | -175.5 | 178.3 | -174.7 | 0 | 111.7 | N157 V159 A200 S201 | K143-N157 PolarHBondContact NZ-O 3.37Å; K143-V159 HydrophobicContact CB-CG2 3.45Å; K143-V159 VanDerWaalsContact CB-CG2 3.45Å; K143-V159 HydrophobicContact CD-CG2 4.2Å; K143-V159 HydrophobicContact CG-CG2 4.48Å; K143-A200 CarbonylContact O-C 3.37Å; K143-A200 WeakPolarHBondContact O-CA 3.43Å; K143-S201 PolarHBondContact N-O 2.77Å; K143-S201 PolarHBondContact O-N 3.47Å |
| 144 | V | 90.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 144.3 | -173.5 | 175.2 | 0 | 0 | 0 | 0 | 112.6 | P135 Q156 C198 V199 A200 | P135-V144 HydrophobicContact CB-CG2 3.79Å; P135-V144 HydrophobicContact CG-CG2 3.85Å; V144-Q156 WeakPolarHBondContact O-CB 3.49Å; V144-Q156 WeakPolarHBondContact O-CG 3.35Å; V144-Q156 PolarHBondContact O-N 2.93Å; V144-C198 WeakPolarHBondContact CG1-SG 3.37Å; V144-V199 CarbonylContact C-O 3.4Å; V144-V199 WeakPolarHBondContact CA-O 3.39Å; V144-A200 HydrophobicContact CG2-CB 4.47Å |
| 145 | Y | 90.7 | Very high | 86.6 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 157.9 | 161.6 | 66.9 | -88.6 | 0 | 0 | 0 | 111.3 | L147 L152 V159 V199 | Y145-L147 HydrophobicContact CD2-CD2 4.19Å; Y145-L147 HydrophobicContact CE2-CD2 4.02Å; Y145-L147 HydrophobicContact CE2-CG 4.46Å; Y145-L152 HydrophobicContact CD2-CD1 3.55Å; Y145-L152 HydrophobicContact CE2-CD1 4.32Å; Y145-L152 HydrophobicContact CG-CD1 4.22Å; Y145-V159 HydrophobicContact CD1-CG1 3.66Å; Y145-V159 HydrophobicContact CE1-CG1 4.25Å; Y145-V159 HydrophobicContact CG-CG1 4.31Å; Y145-V199 HydrophobicContact CD1-CB 4.05Å; Y145-V199 HydrophobicContact CD1-CG1 4.32Å; Y145-V199 HydrophobicContact CD2-CB 4.08Å; Y145-V199 HydrophobicContact CD2-CG2 4.4Å; Y145-V199 HydrophobicContact CE1-CB 3.72Å; Y145-V199 HydrophobicContact CE1-CG1 3.56Å; Y145-V199 HydrophobicContact CE2-CB 3.74Å; Y145-V199 HydrophobicContact CE2-CG1 4.14Å; Y145-V199 HydrophobicContact CE2-CG2 3.91Å; Y145-V199 HydrophobicContact CG-CB 4.26Å; Y145-V199 VanDerWaalsContact CZ-CG1 3.46Å; Y145-V199 PolarHBondContact N-O 2.77Å; Y145-V199 PolarHBondContact O-N 2.83Å; Y145-V199 WeakPolarHBondContact OH-CG1 3.22Å |
| 146 | W | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 137.2 | -174.9 | -74.9 | 82.4 | 0 | 0 | 0 | 112.5 | P118 M131 C133 I153 S154 G181 L183 T197 C198 | P118-W146 HydrophobicContact CB-CH2 3.95Å; P118-W146 HydrophobicContact CB-CZ3 4.07Å; P118-W146 HydrophobicContact CG-CH2 4.4Å; P118-W146 HydrophobicContact CG-CZ3 4.33Å; M131-W146 HydrophobicContact CB-CH2 3.58Å; M131-W146 HydrophobicContact CB-CZ2 4.36Å; M131-W146 HydrophobicContact CB-CZ3 3.87Å; M131-W146 WeakPolarHBondContact O-CH2 3.21Å; M131-W146 VanDerWaalsContact O-CZ2 3.25Å; M131-W146 WeakPolarHBondContact O-CZ2 3.36Å; C133-W146 HydrophobicContact CB-CH2 3.75Å; C133-W146 HydrophobicContact CB-CZ2 3.31Å; W146-I153 HydrophobicContact CB-CD1 4.14Å; W146-I153 HydrophobicContact CB-CG1 4Å; W146-I153 VanDerWaalsContact O-CG1 3.27Å; W146-I153 WeakPolarHBondContact O-CG1 3.47Å; W146-I153 PolarHBondContact O-N 2.83Å; W146-S154 PolarHBondContact N-O 3.2Å; W146-G181 PolarHBondContact NE1-O 2.88Å; W146-L183 HydrophobicContact CB-CD1 4.32Å; W146-L183 HydrophobicContact CB-CD2 4.36Å; W146-L183 HydrophobicContact CD2-CB 3.76Å; W146-L183 HydrophobicContact CD2-CD2 4.08Å; W146-L183 HydrophobicContact CD2-CG 4.39Å; W146-L183 HydrophobicContact CE3-CB 4.31Å; W146-L183 HydrophobicContact CE3-CD2 4.14Å; W146-L183 HydrophobicContact CG-CB 4.06Å; W146-L183 HydrophobicContact CG-CD1 4.14Å; W146-L183 HydrophobicContact CG-CD2 4.2Å; W146-L183 HydrophobicContact CG-CG 4.38Å; W146-L183 HydrophobicContact CH2-CB 4.31Å; W146-L183 HydrophobicContact CZ2-CB 3.78Å; W146-T197 WeakPolarHBondContact CA-O 3.37Å; W146-C198 HydrophobicContact CD2-CB 4.22Å; W146-C198 HydrophobicContact CE3-CB 4.16Å; W146-C198 HydrophobicContact CH2-CB 4.01Å; W146-C198 HydrophobicContact CZ2-CB 4.04Å; W146-C198 HydrophobicContact CZ3-CB 4.05Å |
| 147 | L | 90.5 | Very high | 84.9 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 139.2 | 170.6 | -53 | 179.8 | 0 | 0 | 0 | 109.4 | Y145 N151 L152 Y196 T197 V199 | Y145-L147 HydrophobicContact CD2-CD2 4.19Å; Y145-L147 HydrophobicContact CE2-CD2 4.02Å; Y145-L147 HydrophobicContact CE2-CG 4.46Å; L147-N151 CarbonylContact C-O 3.49Å; L147-N151 VanDerWaalsContact CA-O 3.23Å; L147-N151 WeakPolarHBondContact CA-O 3.31Å; L147-L152 HydrophobicContact CD2-CB 4.21Å; L147-L152 HydrophobicContact CD2-CD1 4.22Å; L147-Y196 WeakPolarHBondContact O-CA 3.36Å; L147-T197 PolarHBondContact N-O 2.87Å; L147-T197 PolarHBondContact O-N 2.77Å; L147-V199 HydrophobicContact CD1-CG2 4.19Å; L147-V199 HydrophobicContact CG-CG2 4.33Å |
| 148 | K | 89.3 | Confident | 83.7 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 12% | 0.122 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.8 | 163.7 | -172.8 | -167.8 | 178.1 | 176.2 | 0 | 109.4 | N150 N151 I153 K191 D192 S193 T195 Y196 | K148-N150 PolarHBondContact O-N 2.84Å; K148-N151 PolarHBondContact N-O 2.83Å; K148-N151 PolarHBondContact O-N 3.42Å; K148-I153 HydrophobicContact CB-CD1 4.1Å; K148-I153 HydrophobicContact CB-CG1 4.28Å; K148-I153 HydrophobicContact CB-CG2 3.57Å; K148-K191 PolarHBondContact NZ-O 3.12Å; K148-D192 WeakPolarHBondContact CE-O 3.45Å; K148-D192 VanDerWaalsContact NZ-CA 3.31Å; K148-D192 PolarHBondContact NZ-O 2.71Å; K148-S193 WeakPolarHBondContact CE-O 3.05Å; K148-S193 PolarHBondContact NZ-O 3.38Å; K148-T195 CarbonylContact C-O 3.54Å; K148-T195 VanDerWaalsContact CA-O 3.24Å; K148-T195 WeakPolarHBondContact CA-O 3.22Å; K148-T195 WeakPolarHBondContact CG-O 3.45Å; K148-Y196 HydrophobicContact CB-CD1 4.4Å; K148-Y196 HydrophobicContact CB-CE1 4.17Å; K148-Y196 HydrophobicContact CD-CE1 4.3Å; K148-Y196 HydrophobicContact CD-CE2 4.09Å; K148-Y196 WeakPolarHBondContact CD-OH 3.41Å; K148-Y196 HydrophobicContact CG-CD1 4.48Å; K148-Y196 HydrophobicContact CG-CD2 4.36Å; K148-Y196 HydrophobicContact CG-CE1 4.09Å; K148-Y196 HydrophobicContact CG-CE2 3.92Å |
| 149 | N | 86.1 | Confident | 82.8 | Confident | 84 Ų | 84 | 53.8 Ų | 53.8 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 44.7 | -175.6 | -55.7 | -14.6 | 0 | 0 | 0 | 111.5 | N151 G194 T195 | N149-N151 PolarHBondContact O-N 2.73Å; N149-G194 WeakPolarHBondContact OD1-CA 3.32Å; N149-T195 PolarHBondContact N-O 3.01Å; N149-T195 PolarHBondContact OD1-N 2.89Å; N149-T195 PolarHBondContact OD1-OG1 2.85Å |
| 150 | N | 82.6 | Confident | 81.6 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 66% | 0.658 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | -4.2 | -172.6 | -57.1 | -15.5 | 0 | 0 | 0 | 117.5 | K148 | K148-N150 PolarHBondContact O-N 2.84Š|
| 151 | N | 83.1 | Confident | 80.6 | Confident | 116 Ų | 116 | 61.4 Ų | 61.4 | 62% | 0.62 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.7 | 176.7 | -64.2 | -45 | 0 | 0 | 0 | 111.6 | L147 K148 N149 I153 | L147-N151 CarbonylContact C-O 3.49Å; L147-N151 VanDerWaalsContact CA-O 3.23Å; L147-N151 WeakPolarHBondContact CA-O 3.31Å; K148-N151 PolarHBondContact N-O 2.83Å; K148-N151 PolarHBondContact O-N 3.42Å; N149-N151 PolarHBondContact O-N 2.73Å; N151-I153 PolarHBondContact O-N 3.4Å |
| 152 | L | 82.2 | Confident | 79.3 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 17% | 0.168 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 126.5 | 176.2 | -177 | 67.7 | 0 | 0 | 0 | 110.8 | Y145 L147 P161 I165 V167 | Y145-L152 HydrophobicContact CD2-CD1 3.55Å; Y145-L152 HydrophobicContact CE2-CD1 4.32Å; Y145-L152 HydrophobicContact CG-CD1 4.22Å; L147-L152 HydrophobicContact CD2-CB 4.21Å; L147-L152 HydrophobicContact CD2-CD1 4.22Å; L152-P161 HydrophobicContact CD2-CG 4.1Å; L152-I165 HydrophobicContact CB-CG2 4.16Å; L152-I165 HydrophobicContact CD2-CG2 4.19Å; L152-V167 HydrophobicContact CD2-CG2 3.99Å |
| 153 | I | 81.8 | Confident | 77.7 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -27.8 | 178.7 | 52.5 | 156.2 | 0 | 0 | 0 | 114.5 | W146 K148 N151 L183 Y196 | W146-I153 HydrophobicContact CB-CD1 4.14Å; W146-I153 HydrophobicContact CB-CG1 4Å; W146-I153 VanDerWaalsContact O-CG1 3.27Å; W146-I153 WeakPolarHBondContact O-CG1 3.47Å; W146-I153 PolarHBondContact O-N 2.83Å; K148-I153 HydrophobicContact CB-CD1 4.1Å; K148-I153 HydrophobicContact CB-CG1 4.28Å; K148-I153 HydrophobicContact CB-CG2 3.57Å; N151-I153 PolarHBondContact O-N 3.4Å; I153-L183 HydrophobicContact CD1-CD1 4.32Å; I153-L183 HydrophobicContact CD1-CD2 3.68Å; I153-Y196 HydrophobicContact CD1-CD1 4.01Å; I153-Y196 HydrophobicContact CD1-CE1 3.64Å |
| 154 | S | 78.4 | Confident | 76 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.2 | 154.8 | 177.7 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | W146 I177 | W146-S154 PolarHBondContact N-O 3.2Å; S154-I177 VanDerWaalsContact C-CD1 3.48Å; S154-I177 VanDerWaalsContact OG-CD1 3.25Å; S154-I177 WeakPolarHBondContact OG-CD1 3.09Å |
| 155 | A | 79 | Confident | 74.1 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 22% | 0.223 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 144.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V159 | A155-V159 HydrophobicContact CB-CB 4.32Å |
| 156 | Q | 78.1 | Confident | 72 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 16% | 0.164 | 42% | 0.419 | C | S | . | . | trans | -66.8 | 149.6 | 172.7 | -72.6 | -177.3 | -28.4 | 0 | 0 | 111.8 | V144 G158 V159 I177 S178 I179 | V144-Q156 WeakPolarHBondContact O-CB 3.49Å; V144-Q156 WeakPolarHBondContact O-CG 3.35Å; V144-Q156 PolarHBondContact O-N 2.93Å; Q156-G158 PolarHBondContact O-N 2.61Å; Q156-V159 HydrophobicContact CB-CG2 4.45Å; Q156-V159 WeakPolarHBondContact O-CG2 3.43Å; Q156-V159 PolarHBondContact O-N 2.7Å; Q156-V159 VanDerWaalsContact O-N 3.11Å; Q156-I177 HydrophobicContact CG-CB 4.46Å; Q156-I177 HydrophobicContact CG-CG2 3.67Å; Q156-S178 PolarHBondContact NE2-O 3.44Å; Q156-I179 PolarHBondContact NE2-O 2.83Å | ||
| 157 | N | 70.5 | Confident | 69.9 | Low | 152 Ų | 152 | 79.8 Ų | 79.8 | 81% | 0.813 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 122.5 | -173.9 | -80.7 | -20.3 | 0 | 0 | 0 | 113.3 | K143 | K143-N157 PolarHBondContact NZ-O 3.37Š|
| 158 | G | 62.7 | Low | 67.8 | Low | 68 Ų | 68 | 84.1 Ų | 84.1 | 70% | 0.701 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 16.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q156 | Q156-G158 PolarHBondContact O-N 2.61Š|
| 159 | V | 69 | Low | 65.7 | Low | 22 Ų | 22 | 87.3 Ų | 87.3 | 13% | 0.133 | 48% | 0.48 | C | S | . | . | trans | -74.1 | 137 | 157.6 | 173.6 | 0 | 0 | 0 | 0 | 109.2 | K143 Y145 A155 Q156 | K143-V159 HydrophobicContact CB-CG2 3.45Å; K143-V159 VanDerWaalsContact CB-CG2 3.45Å; K143-V159 HydrophobicContact CD-CG2 4.2Å; K143-V159 HydrophobicContact CG-CG2 4.48Å; Y145-V159 HydrophobicContact CD1-CG1 3.66Å; Y145-V159 HydrophobicContact CE1-CG1 4.25Å; Y145-V159 HydrophobicContact CG-CG1 4.31Å; A155-V159 HydrophobicContact CB-CB 4.32Å; Q156-V159 HydrophobicContact CB-CG2 4.45Å; Q156-V159 WeakPolarHBondContact O-CG2 3.43Å; Q156-V159 PolarHBondContact O-N 2.7Å; Q156-V159 VanDerWaalsContact O-N 3.11Å | ||
| 160 | K | 59.5 | Low | 63.7 | Low | 190 Ų | 190 | 91 Ų | 91 | 83% | 0.826 | 49% | 0.494 | S | S | * | . | trans | -118.6 | 102.7 | 166.1 | -70.2 | -173.9 | 179.1 | -177.9 | 0 | 108.6 | K162 | K160-K162 PolarHBondContact O-N 3.2Š| ||
| 161 | P | 61.6 | Low | 62.1 | Low | 20 Ų | 20 | 93.3 Ų | 93.3 | 13% | 0.13 | 50% | 0.499 | C | S | . | . | trans | -67.4 | 132.9 | 179.1 | 28.1 | -33.5 | 0 | 0 | 0 | 110.1 | L152 N163 | L152-P161 HydrophobicContact CD2-CG 4.1Å; P161-N163 PolarHBondContact O-N 3.32Å | ||
| 162 | K | 59.1 | Low | 60.7 | Low | 138 Ų | 138 | 92.6 Ų | 92.6 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -23.4 | -169.7 | -70.8 | 175.8 | -172.1 | 154.7 | 0 | 116 | K160 N164 E206 | K160-K162 PolarHBondContact O-N 3.2Å; K162-N164 VanDerWaalsContact C-N 3.33Å; K162-N164 PolarHBondContact O-N 2.95Å; K162-E206 VanDerWaalsContact CD-OE2 3.28Å; K162-E206 WeakPolarHBondContact CD-OE2 3.41Å; K162-E206 WeakPolarHBondContact CE-OE1 3.27Å; K162-E206 WeakPolarHBondContact CE-OE2 3.49Å; K162-E206 IonicContact NZ-OE1 3.78Å; K162-E206 IonicContact NZ-OE2 2.82Å; K162-E206 PolarHBondContact NZ-OE2 2.79Å |
| 163 | N | 57.1 | Low | 59.7 | Low | 133 Ų | 133 | 97 Ų | 97 | 71% | 0.711 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 12 | -167.7 | -69.1 | 4.4 | 0 | 0 | 0 | 114.8 | P161 I165 | P161-N163 PolarHBondContact O-N 3.32Å; N163-I165 HydrophobicContact CB-CD1 4.02Å; N163-I165 HydrophobicContact CB-CG1 3.93Å; N163-I165 PolarHBondContact O-N 3.12Å |
| 164 | N | 51.8 | Low | 59.6 | Low | 160 Ų | 160 | 95.3 Ų | 95.3 | 86% | 0.856 | 52% | 0.516 | S | S | * | . | trans | 51.3 | 24.9 | -172.6 | -81.3 | -9.9 | 0 | 0 | 0 | 114 | K162 S166 | K162-N164 VanDerWaalsContact C-N 3.33Å; K162-N164 PolarHBondContact O-N 2.95Å; N164-S166 PolarHBondContact O-N 3.01Å | ||
| 165 | I | 51.2 | Low | 59.7 | Low | 79 Ų | 79 | 95.6 Ų | 95.6 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | trans | -64.1 | 104.9 | 171.1 | -63.5 | 170.5 | 0 | 0 | 0 | 106.1 | L152 N163 V167 | L152-I165 HydrophobicContact CB-CG2 4.16Å; L152-I165 HydrophobicContact CD2-CG2 4.19Å; N163-I165 HydrophobicContact CB-CD1 4.02Å; N163-I165 HydrophobicContact CB-CG1 3.93Å; N163-I165 PolarHBondContact O-N 3.12Å; I165-V167 PolarHBondContact O-N 2.79Å; I165-V167 VanDerWaalsContact O-N 3.15Å | ||
| 166 | S | 46.6 | Very low | 60 | Low | 87 Ų | 87 | 99.5 Ų | 99.5 | 61% | 0.608 | 53% | 0.528 | S | S | * | . | trans | -55.3 | 120.8 | 175.6 | 51.8 | 0 | 0 | 0 | 0 | 108.2 | N164 I168 | N164-S166 PolarHBondContact O-N 3.01Å; S166-I168 PolarHBondContact O-N 3.38Å | ||
| 167 | V | 47.9 | Very low | 60.4 | Low | 70 Ų | 70 | 99.6 Ų | 99.6 | 42% | 0.424 | 53% | 0.529 | S | S | . | . | trans | -69.3 | 88.5 | 172.9 | -170.4 | 0 | 0 | 0 | 0 | 107 | L152 I165 N169 | L152-V167 HydrophobicContact CD2-CG2 3.99Å; I165-V167 PolarHBondContact O-N 2.79Å; I165-V167 VanDerWaalsContact O-N 3.15Å; V167-N169 VanDerWaalsContact CG1-OD1 3.24Å; V167-N169 WeakPolarHBondContact CG1-OD1 3.39Å; V167-N169 PolarHBondContact O-N 2.92Å | ||
| 168 | I | 46 | Very low | 61.1 | Low | 122 Ų | 122 | 94.5 Ų | 94.5 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | trans | -68.4 | 90.2 | 163.6 | -52.1 | 179.9 | 0 | 0 | 0 | 104.6 | S166 E170 | S166-I168 PolarHBondContact O-N 3.38Å; I168-E170 HydrophobicContact CG2-CB 4.34Å; I168-E170 HydrophobicContact CG2-CG 3.92Å; I168-E170 PolarHBondContact O-N 2.96Å | ||
| 169 | N | 45.6 | Very low | 62 | Low | 95 Ų | 95 | 99.4 Ų | 99.4 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | trans | -69.6 | 62.7 | 161.9 | -85.4 | -7 | 0 | 0 | 0 | 108.4 | V167 F171 | V167-N169 VanDerWaalsContact CG1-OD1 3.24Å; V167-N169 WeakPolarHBondContact CG1-OD1 3.39Å; V167-N169 PolarHBondContact O-N 2.92Å; N169-F171 HydrophobicContact CB-CD2 3.99Å; N169-F171 HydrophobicContact CB-CE2 3.74Å; N169-F171 HydrophobicContact CB-CZ 4.07Å; N169-F171 VanDerWaalsContact O-CD2 3.3Å; N169-F171 WeakPolarHBondContact O-CD2 3.39Å; N169-F171 PolarHBondContact O-N 2.93Å | ||
| 170 | E | 44.1 | Very low | 62.9 | Low | 161 Ų | 161 | 101.5 Ų | 101.5 | 75% | 0.752 | 53% | 0.525 | S | S | * | . | trans | -56.7 | 94 | 139.9 | -88.4 | 177.7 | -148 | 0 | 0 | 104.8 | I168 K172 | I168-E170 HydrophobicContact CG2-CB 4.34Å; I168-E170 HydrophobicContact CG2-CG 3.92Å; I168-E170 PolarHBondContact O-N 2.96Å; E170-K172 PolarHBondContact O-N 3.49Å | ||
| 171 | F | 48.9 | Very low | 64.1 | Low | 173 Ų | 173 | 92.4 Ų | 92.4 | 76% | 0.759 | 49% | 0.485 | S | S | * | . | trans | -66.1 | 79.4 | 174.4 | -75.6 | -84.3 | 0 | 0 | 0 | 108.2 | N169 S173 | N169-F171 HydrophobicContact CB-CD2 3.99Å; N169-F171 HydrophobicContact CB-CE2 3.74Å; N169-F171 HydrophobicContact CB-CZ 4.07Å; N169-F171 VanDerWaalsContact O-CD2 3.3Å; N169-F171 WeakPolarHBondContact O-CD2 3.39Å; N169-F171 PolarHBondContact O-N 2.93Å; F171-S173 PolarHBondContact O-N 3.46Å | ||
| 172 | K | 54.6 | Low | 65.6 | Low | 101 Ų | 101 | 91.6 Ų | 91.6 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | trans | -56.3 | 96.7 | 159.4 | -111.6 | -164.8 | 170.8 | -169.3 | 0 | 105.8 | E170 N174 I175 D192 | E170-K172 PolarHBondContact O-N 3.49Å; K172-N174 PolarHBondContact O-N 2.65Å; K172-I175 HydrophobicContact CB-CD1 4.21Å; K172-I175 HydrophobicContact CB-CG1 4.31Å; K172-I175 HydrophobicContact CD-CD1 3.72Å; K172-I175 HydrophobicContact CD-CG1 4.42Å; K172-I175 PolarHBondContact O-N 2.91Å; K172-D192 IonicContact NZ-OD1 2.98Å; K172-D192 PolarHBondContact NZ-OD1 3.44Å | ||
| 173 | S | 60.6 | Low | 67.1 | Low | 124 Ų | 124 | 85 Ų | 85 | 87% | 0.867 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 3.3 | -172.3 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | F171 | F171-S173 PolarHBondContact O-N 3.46Š|
| 174 | N | 78.8 | Confident | 68.7 | Low | 21 Ų | 21 | 80.4 Ų | 80.4 | 11% | 0.112 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 4.9 | 173 | 74 | -40.1 | 0 | 0 | 0 | 114.2 | K172 I185 N186 P187 | K172-N174 PolarHBondContact O-N 2.65Å; N174-I185 CarbonylContact O-C 3.52Å; N174-I185 VanDerWaalsContact O-CA 3.22Å; N174-I185 WeakPolarHBondContact O-CA 3.3Å; N174-N186 VanDerWaalsContact CA-O 3.26Å; N174-N186 WeakPolarHBondContact CA-O 3.22Å; N174-N186 VanDerWaalsContact CB-O 3.27Å; N174-N186 WeakPolarHBondContact CB-O 3.2Å; N174-N186 PolarHBondContact O-N 3.11Å; N174-P187 PolarHBondContact ND2-O 2.82Å |
| 175 | I | 82.1 | Confident | 70.6 | Confident | 29 Ų | 29 | 72.9 Ų | 72.9 | 15% | 0.149 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.7 | -178.3 | -58.4 | -179.3 | 0 | 0 | 0 | 112 | K172 L183 H184 I185 | K172-I175 HydrophobicContact CB-CD1 4.21Å; K172-I175 HydrophobicContact CB-CG1 4.31Å; K172-I175 HydrophobicContact CD-CD1 3.72Å; K172-I175 HydrophobicContact CD-CG1 4.42Å; K172-I175 PolarHBondContact O-N 2.91Å; I175-L183 HydrophobicContact CG2-CD1 3.62Å; I175-L183 HydrophobicContact CG2-CG 4.46Å; I175-H184 WeakPolarHBondContact CA-O 3.43Å; I175-I185 HydrophobicContact CG1-CG2 4.5Å |
| 176 | E | 84.7 | Confident | 72.2 | Confident | 110 Ų | 110 | 71.4 Ų | 71.4 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.5 | 177.9 | -59.6 | 176 | 149.9 | 0 | 0 | 110.3 | H184 | E176-H184 HydrophobicContact CB-CB 4.33Å; E176-H184 PolarHBondContact N-O 3.45Å; E176-H184 VanDerWaalsContact N-O 3.07Å; E176-H184 PolarHBondContact O-N 2.87Å |
| 177 | I | 85.9 | Confident | 74.1 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 19% | 0.185 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.7 | 166.9 | -63.4 | 168.4 | 0 | 0 | 0 | 109 | S154 Q156 S182 L183 | S154-I177 VanDerWaalsContact C-CD1 3.48Å; S154-I177 VanDerWaalsContact OG-CD1 3.25Å; S154-I177 WeakPolarHBondContact OG-CD1 3.09Å; Q156-I177 HydrophobicContact CG-CB 4.46Å; Q156-I177 HydrophobicContact CG-CG2 3.67Å; I177-S182 WeakPolarHBondContact CA-O 3.41Å; I177-L183 HydrophobicContact CG1-CD1 3.74Å |
| 178 | S | 85.4 | Confident | 75.9 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 32% | 0.315 | 35% | 0.351 | S | S | . | . | trans | -77.4 | 164.2 | 175.6 | -84.2 | 0 | 0 | 0 | 0 | 112.8 | Q156 D180 G181 S182 H184 | Q156-S178 PolarHBondContact NE2-O 3.44Å; S178-D180 WeakPolarHBondContact CB-OD1 3.34Å; S178-D180 PolarHBondContact O-N 3.34Å; S178-G181 PolarHBondContact O-N 2.79Å; S178-S182 PolarHBondContact N-O 2.85Å; S178-H184 WeakPolarHBondContact CB-NE2 3.45Å; S178-H184 PolarHBondContact OG-CD2 2.95Å; S178-H184 PolarHBondContact OG-NE2 2.86Å | ||
| 179 | I | 82.4 | Confident | 77.8 | Confident | 172 Ų | 172 | 63.8 Ų | 63.8 | 88% | 0.882 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.8 | -176.5 | -59.4 | 170 | 0 | 0 | 0 | 111.6 | Q156 G181 | Q156-I179 PolarHBondContact NE2-O 2.83Å; I179-G181 VanDerWaalsContact C-N 3.29Å; I179-G181 PolarHBondContact O-N 2.83Å |
| 180 | D | 86.2 | Confident | 79.5 | Confident | 65 Ų | 65 | 63 Ų | 63 | 35% | 0.348 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.8 | 176.7 | 70 | -33 | 0 | 0 | 0 | 114.3 | P135 S178 S182 | P135-D180 WeakPolarHBondContact CD-O 3.41Å; S178-D180 WeakPolarHBondContact CB-OD1 3.34Å; S178-D180 PolarHBondContact O-N 3.34Å; D180-S182 WeakPolarHBondContact OD1-CB 3.42Å; D180-S182 PolarHBondContact OD1-N 2.85Å; D180-S182 VanDerWaalsContact OD2-CB 3.28Å; D180-S182 WeakPolarHBondContact OD2-CB 3.5Å; D180-S182 PolarHBondContact OD2-OG 2.82Å |
| 181 | G | 85.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | 112 | -9.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | C133 W146 S178 I179 | C133-G181 CarbonylContact O-C 3.55Å; C133-G181 WeakPolarHBondContact O-CA 3.48Å; W146-G181 PolarHBondContact NE1-O 2.88Å; S178-G181 PolarHBondContact O-N 2.79Å; I179-G181 VanDerWaalsContact C-N 3.29Å; I179-G181 PolarHBondContact O-N 2.83Å |
| 182 | S | 92.2 | Very high | 83.3 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 141.6 | -174.5 | -64.5 | 0 | 0 | 0 | 0 | 113 | E132 C133 I177 S178 D180 | E132-S182 WeakPolarHBondContact CA-OG 3.46Å; C133-S182 PolarHBondContact N-OG 2.91Å; C133-S182 VanDerWaalsContact N-OG 3.14Å; C133-S182 PolarHBondContact O-N 2.8Å; I177-S182 WeakPolarHBondContact CA-O 3.41Å; S178-S182 PolarHBondContact N-O 2.85Å; D180-S182 WeakPolarHBondContact OD1-CB 3.42Å; D180-S182 PolarHBondContact OD1-N 2.85Å; D180-S182 VanDerWaalsContact OD2-CB 3.28Å; D180-S182 WeakPolarHBondContact OD2-CB 3.5Å; D180-S182 PolarHBondContact OD2-OG 2.82Å |
| 183 | L | 91.7 | Very high | 85 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.3 | -179.3 | -177 | 76.9 | 0 | 0 | 0 | 111 | V130 M131 W146 I153 I175 I177 I185 Y196 | V130-L183 CarbonylContact C-O 3.36Å; V130-L183 WeakPolarHBondContact CA-O 3.42Å; M131-L183 HydrophobicContact CB-CB 4.31Å; M131-L183 PolarHBondContact N-O 2.86Å; M131-L183 PolarHBondContact O-N 3.34Å; W146-L183 HydrophobicContact CB-CD1 4.32Å; W146-L183 HydrophobicContact CB-CD2 4.36Å; W146-L183 HydrophobicContact CD2-CB 3.76Å; W146-L183 HydrophobicContact CD2-CD2 4.08Å; W146-L183 HydrophobicContact CD2-CG 4.39Å; W146-L183 HydrophobicContact CE3-CB 4.31Å; W146-L183 HydrophobicContact CE3-CD2 4.14Å; W146-L183 HydrophobicContact CG-CB 4.06Å; W146-L183 HydrophobicContact CG-CD1 4.14Å; W146-L183 HydrophobicContact CG-CD2 4.2Å; W146-L183 HydrophobicContact CG-CG 4.38Å; W146-L183 HydrophobicContact CH2-CB 4.31Å; W146-L183 HydrophobicContact CZ2-CB 3.78Å; I153-L183 HydrophobicContact CD1-CD1 4.32Å; I153-L183 HydrophobicContact CD1-CD2 3.68Å; I175-L183 HydrophobicContact CG2-CD1 3.62Å; I175-L183 HydrophobicContact CG2-CG 4.46Å; I177-L183 HydrophobicContact CG1-CD1 3.74Å; L183-I185 HydrophobicContact CD2-CD1 4.46Å; L183-Y196 HydrophobicContact CD2-CD1 3.57Å; L183-Y196 HydrophobicContact CD2-CE1 3.61Å |
| 184 | H | 90.8 | Very high | 86.5 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 17% | 0.167 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 138 | 176.6 | -63.9 | -97.7 | 0 | 0 | 0 | 110.7 | V129 V130 I175 E176 S178 | V129-H184 WeakPolarHBondContact O-CA 3.31Å; V130-H184 WeakPolarHBondContact CG2-ND1 3.46Å; I175-H184 WeakPolarHBondContact CA-O 3.43Å; E176-H184 HydrophobicContact CB-CB 4.33Å; E176-H184 PolarHBondContact N-O 3.45Å; E176-H184 VanDerWaalsContact N-O 3.07Å; E176-H184 PolarHBondContact O-N 2.87Å; S178-H184 WeakPolarHBondContact CB-NE2 3.45Å; S178-H184 PolarHBondContact OG-CD2 2.95Å; S178-H184 PolarHBondContact OG-NE2 2.86Å |
| 185 | I | 90.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119.5 | 174.5 | -48.5 | 177.4 | 0 | 0 | 0 | 109 | V129 N174 I175 L183 V188 Y196 L214 | V129-I185 HydrophobicContact CB-CB 4.33Å; V129-I185 HydrophobicContact CG1-CD1 4.49Å; V129-I185 PolarHBondContact N-O 2.9Å; V129-I185 PolarHBondContact O-N 2.9Å; N174-I185 CarbonylContact O-C 3.52Å; N174-I185 VanDerWaalsContact O-CA 3.22Å; N174-I185 WeakPolarHBondContact O-CA 3.3Å; I175-I185 HydrophobicContact CG1-CG2 4.5Å; L183-I185 HydrophobicContact CD2-CD1 4.46Å; I185-V188 HydrophobicContact CB-CG2 3.86Å; I185-V188 HydrophobicContact CG2-CB 4.44Å; I185-V188 HydrophobicContact CG2-CG2 3.7Å; I185-Y196 HydrophobicContact CD1-CE1 3.98Å; I185-L214 HydrophobicContact CD1-CD2 3.9Å |
| 186 | N | 86.7 | Confident | 87.7 | Confident | 49 Ų | 49 | 46.5 Ų | 46.5 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -155.8 | 106.5 | -169.5 | 164.4 | 58.9 | 0 | 0 | 0 | 112.2 | K128 N174 | K128-N186 HydrophobicContact CG-CB 4.42Å; K128-N186 WeakPolarHBondContact CG-OD1 3.42Å; K128-N186 PolarHBondContact NZ-OD1 2.84Å; N174-N186 VanDerWaalsContact CA-O 3.26Å; N174-N186 WeakPolarHBondContact CA-O 3.22Å; N174-N186 VanDerWaalsContact CB-O 3.27Å; N174-N186 WeakPolarHBondContact CB-O 3.2Å; N174-N186 PolarHBondContact O-N 3.11Å |
| 187 | P | 84.9 | Confident | 88.2 | Confident | 70 Ų | 70 | 41.5 Ų | 41.5 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | S | Bend | cis | -76.7 | 160 | -7.8 | 33.2 | -35.8 | 0 | 0 | 0 | 112.4 | N174 | N174-P187 PolarHBondContact ND2-O 2.82Š|
| 188 | V | 86.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | trans | -87.3 | 132.7 | 171.1 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | V123 G126 D127 V129 I185 D192 V216 | V123-V188 HydrophobicContact CG2-CG1 4.06Å; G126-V188 PolarHBondContact N-O 3.48Å; D127-V188 WeakPolarHBondContact O-CB 3.34Å; D127-V188 VanDerWaalsContact O-CG2 3.26Å; D127-V188 WeakPolarHBondContact O-CG2 3.49Å; D127-V188 PolarHBondContact O-N 3.34Å; D127-V188 VanDerWaalsContact O-N 3.08Å; V129-V188 HydrophobicContact CB-CG2 3.67Å; V129-V188 HydrophobicContact CG2-CG2 3.66Å; I185-V188 HydrophobicContact CB-CG2 3.86Å; I185-V188 HydrophobicContact CG2-CB 4.44Å; I185-V188 HydrophobicContact CG2-CG2 3.7Å; V188-D192 HydrophobicContact CG1-CB 4.33Å; V188-V216 HydrophobicContact CG1-CB 4.27Å; V188-V216 HydrophobicContact CG1-CG1 3.86Å; V188-V216 HydrophobicContact CG1-CG2 3.35Å | ||
| 189 | T | 86.1 | Confident | 88.9 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 29% | 0.288 | 20% | 0.203 | S | C | . | . | trans | -108.9 | 161.7 | 173.9 | 71 | 0 | 0 | 0 | 0 | 111.6 | K191 D192 | T189-K191 PolarHBondContact O-N 2.95Å; T189-K191 VanDerWaalsContact O-N 3.11Å; T189-K191 PolarHBondContact OG1-N 3.18Å; T189-D192 WeakPolarHBondContact CB-OD2 3.37Å; T189-D192 PolarHBondContact N-OD2 3.28Å; T189-D192 WeakPolarHBondContact O-CB 3.22Å; T189-D192 PolarHBondContact O-N 3.44Å; T189-D192 PolarHBondContact OG1-OD2 2.76Å | ||
| 190 | I | 81.3 | Confident | 89.3 | Confident | 78 Ų | 78 | 29.6 Ų | 29.6 | 40% | 0.4 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -53.2 | -35.5 | 174.9 | -69.3 | 161.7 | 0 | 0 | 0 | 111.9 | E125 D192 S193 V216 | E125-I190 HydrophobicContact CB-CG1 4.4Å; E125-I190 WeakPolarHBondContact OE1-CG1 3.43Å; E125-I190 PolarHBondContact OE1-N 2.89Å; E125-I190 WeakPolarHBondContact OE2-CD1 3.22Å; I190-D192 PolarHBondContact O-N 3.27Å; I190-S193 WeakPolarHBondContact O-CB 3.31Å; I190-S193 PolarHBondContact O-N 2.89Å; I190-S193 PolarHBondContact O-OG 3.4Å; I190-V216 HydrophobicContact CG1-CG1 4.38Å |
| 191 | K | 84.2 | Confident | 89.5 | Confident | 183 Ų | 183 | 27.5 Ų | 27.5 | 80% | 0.796 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -65.3 | -16.8 | 177 | -61.7 | 179.9 | -179.3 | 176.8 | 0 | 113.8 | K148 T189 S193 | K148-K191 PolarHBondContact NZ-O 3.12Å; T189-K191 PolarHBondContact O-N 2.95Å; T189-K191 VanDerWaalsContact O-N 3.11Å; T189-K191 PolarHBondContact OG1-N 3.18Å; K191-S193 VanDerWaalsContact C-N 3.31Å |
| 192 | D | 88.9 | Confident | 89.6 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -82.7 | -7.9 | 179.1 | -61.2 | -54 | 0 | 0 | 0 | 112.8 | K148 K172 V188 T189 I190 Y196 | K148-D192 WeakPolarHBondContact CE-O 3.45Å; K148-D192 VanDerWaalsContact NZ-CA 3.31Å; K148-D192 PolarHBondContact NZ-O 2.71Å; K172-D192 IonicContact NZ-OD1 2.98Å; K172-D192 PolarHBondContact NZ-OD1 3.44Å; V188-D192 HydrophobicContact CG1-CB 4.33Å; T189-D192 WeakPolarHBondContact CB-OD2 3.37Å; T189-D192 PolarHBondContact N-OD2 3.28Å; T189-D192 WeakPolarHBondContact O-CB 3.22Å; T189-D192 PolarHBondContact O-N 3.44Å; T189-D192 PolarHBondContact OG1-OD2 2.76Å; I190-D192 PolarHBondContact O-N 3.27Å; D192-Y196 WeakPolarHBondContact O-CE2 3.44Å; D192-Y196 PolarHBondContact O-OH 2.72Å |
| 193 | S | 89.7 | Confident | 89.2 | Confident | 40 Ų | 40 | 33.4 Ų | 33.4 | 28% | 0.28 | 18% | 0.181 | S | C | . | . | trans | -54.6 | 145.2 | 167.6 | -51.2 | 0 | 0 | 0 | 0 | 113 | K148 I190 K191 L214 V216 | K148-S193 WeakPolarHBondContact CE-O 3.05Å; K148-S193 PolarHBondContact NZ-O 3.38Å; I190-S193 WeakPolarHBondContact O-CB 3.31Å; I190-S193 PolarHBondContact O-N 2.89Å; I190-S193 PolarHBondContact O-OG 3.4Å; K191-S193 VanDerWaalsContact C-N 3.31Å; S193-L214 VanDerWaalsContact CA-O 3.26Å; S193-L214 WeakPolarHBondContact CA-O 3.19Å; S193-V216 WeakPolarHBondContact OG-CB 3.45Å; S193-V216 WeakPolarHBondContact OG-CG2 3.44Å; S193-V216 PolarHBondContact OG-N 2.84Å | ||
| 194 | G | 91 | Very high | 88.9 | Confident | 13 Ų | 13 | 35.4 Ų | 35.4 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.4 | -174 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N149 L214 | N149-G194 WeakPolarHBondContact OD1-CA 3.32Å; G194-L214 PolarHBondContact N-O 2.85Å; G194-L214 PolarHBondContact O-N 3.47Å |
| 195 | T | 93.6 | Very high | 88.8 | Confident | 25 Ų | 25 | 34.6 Ų | 34.6 | 15% | 0.153 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 141 | 171 | 55 | 0 | 0 | 0 | 0 | 111 | K148 N149 A212 Y213 | K148-T195 CarbonylContact C-O 3.54Å; K148-T195 VanDerWaalsContact CA-O 3.24Å; K148-T195 WeakPolarHBondContact CA-O 3.22Å; K148-T195 WeakPolarHBondContact CG-O 3.45Å; N149-T195 PolarHBondContact N-O 3.01Å; N149-T195 PolarHBondContact OD1-N 2.89Å; N149-T195 PolarHBondContact OD1-OG1 2.85Å; T195-A212 CarbonylContact C-O 3.58Å; T195-A212 WeakPolarHBondContact CA-O 3.37Å; T195-Y213 HydrophobicContact CG2-CD1 3.87Å; T195-Y213 HydrophobicContact CG2-CD2 4.03Å; T195-Y213 HydrophobicContact CG2-CE1 3.44Å; T195-Y213 VanDerWaalsContact CG2-CE1 3.44Å; T195-Y213 HydrophobicContact CG2-CE2 3.61Å; T195-Y213 HydrophobicContact CG2-CG 4.15Å |
| 196 | Y | 93.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130.8 | 179.7 | -76.3 | -100 | 0 | 0 | 0 | 110.1 | L147 K148 I153 L183 I185 D192 S211 A212 L214 | L147-Y196 WeakPolarHBondContact O-CA 3.36Å; K148-Y196 HydrophobicContact CB-CD1 4.4Å; K148-Y196 HydrophobicContact CB-CE1 4.17Å; K148-Y196 HydrophobicContact CD-CE1 4.3Å; K148-Y196 HydrophobicContact CD-CE2 4.09Å; K148-Y196 WeakPolarHBondContact CD-OH 3.41Å; K148-Y196 HydrophobicContact CG-CD1 4.48Å; K148-Y196 HydrophobicContact CG-CD2 4.36Å; K148-Y196 HydrophobicContact CG-CE1 4.09Å; K148-Y196 HydrophobicContact CG-CE2 3.92Å; I153-Y196 HydrophobicContact CD1-CD1 4.01Å; I153-Y196 HydrophobicContact CD1-CE1 3.64Å; L183-Y196 HydrophobicContact CD2-CD1 3.57Å; L183-Y196 HydrophobicContact CD2-CE1 3.61Å; I185-Y196 HydrophobicContact CD1-CE1 3.98Å; D192-Y196 WeakPolarHBondContact O-CE2 3.44Å; D192-Y196 PolarHBondContact O-OH 2.72Å; Y196-S211 CarbonylContact O-C 3.33Å; Y196-S211 WeakPolarHBondContact O-CA 3.29Å; Y196-A212 PolarHBondContact N-O 3.3Å; Y196-A212 PolarHBondContact O-N 2.68Å; Y196-L214 HydrophobicContact CD2-CB 3.91Å; Y196-L214 HydrophobicContact CE2-CB 3.75Å; Y196-L214 HydrophobicContact CE2-CD2 3.9Å; Y196-L214 HydrophobicContact CE2-CG 4.47Å |
| 197 | T | 94 | Very high | 89 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 131.2 | -178.4 | -35.9 | 0 | 0 | 0 | 0 | 109.7 | W146 L147 V208 S209 S211 | W146-T197 WeakPolarHBondContact CA-O 3.37Å; L147-T197 PolarHBondContact N-O 2.87Å; L147-T197 PolarHBondContact O-N 2.77Å; T197-V208 HydrophobicContact CG2-CG1 3.74Å; T197-S209 WeakPolarHBondContact CG2-O 3.49Å; T197-S211 WeakPolarHBondContact CG2-OG 3.43Å; T197-S211 PolarHBondContact OG1-OG 3.19Å |
| 198 | C | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 132 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | P118 C133 V144 W146 S209 | P118-C198 HydrophobicContact CG-CB 4.47Å; C133-C198 HydrophobicContact CB-CB 3.66Å; C133-C198 WeakPolarHBondContact CB-SG 3.3Å; C133-C198 WeakPolarHBondContact SG-CB 3.49Å; C133-C198 CovalentContact SG-SG 2.03Å; C133-C198 PolarHBondContact SG-SG 2.78Å; V144-C198 WeakPolarHBondContact CG1-SG 3.37Å; W146-C198 HydrophobicContact CD2-CB 4.22Å; W146-C198 HydrophobicContact CE3-CB 4.16Å; W146-C198 HydrophobicContact CH2-CB 4.01Å; W146-C198 HydrophobicContact CZ2-CB 4.04Å; W146-C198 HydrophobicContact CZ3-CB 4.05Å; C198-S209 WeakPolarHBondContact CB-OG 3.28Å; C198-S209 PolarHBondContact N-OG 2.98Å; C198-S209 WeakPolarHBondContact O-CB 2.92Å; C198-S209 PolarHBondContact O-N 3.36Å; C198-S209 PolarHBondContact O-OG 2.99Å |
| 199 | V | 92.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.2 | 177 | -171 | 0 | 0 | 0 | 0 | 109.7 | V144 Y145 L147 E206 Q207 V208 | V144-V199 CarbonylContact C-O 3.4Å; V144-V199 WeakPolarHBondContact CA-O 3.39Å; Y145-V199 HydrophobicContact CD1-CB 4.05Å; Y145-V199 HydrophobicContact CD1-CG1 4.32Å; Y145-V199 HydrophobicContact CD2-CB 4.08Å; Y145-V199 HydrophobicContact CD2-CG2 4.4Å; Y145-V199 HydrophobicContact CE1-CB 3.72Å; Y145-V199 HydrophobicContact CE1-CG1 3.56Å; Y145-V199 HydrophobicContact CE2-CB 3.74Å; Y145-V199 HydrophobicContact CE2-CG1 4.14Å; Y145-V199 HydrophobicContact CE2-CG2 3.91Å; Y145-V199 HydrophobicContact CG-CB 4.26Å; Y145-V199 VanDerWaalsContact CZ-CG1 3.46Å; Y145-V199 PolarHBondContact N-O 2.77Å; Y145-V199 PolarHBondContact O-N 2.83Å; Y145-V199 WeakPolarHBondContact OH-CG1 3.22Å; L147-V199 HydrophobicContact CD1-CG2 4.19Å; L147-V199 HydrophobicContact CG-CG2 4.33Å; V199-E206 HydrophobicContact CG1-CB 4.47Å; V199-Q207 WeakPolarHBondContact CA-O 3.38Å; V199-V208 HydrophobicContact CG1-CG2 4.04Å; V199-V208 HydrophobicContact CG2-CG1 4.33Å; V199-V208 HydrophobicContact CG2-CG2 4.23Å |
| 200 | A | 92 | Very high | 90 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F114 P135 P136 V142 K143 V144 E206 Q207 | F114-A200 HydrophobicContact CE1-CB 3.9Å; F114-A200 HydrophobicContact CZ-CB 3.93Å; P135-A200 HydrophobicContact CB-CB 3.71Å; P136-A200 HydrophobicContact CG-CB 4.45Å; V142-A200 HydrophobicContact CG1-CB 3.69Å; K143-A200 CarbonylContact O-C 3.37Å; K143-A200 WeakPolarHBondContact O-CA 3.43Å; V144-A200 HydrophobicContact CG2-CB 4.47Å; A200-E206 CarbonylContact O-C 3.55Å; A200-E206 VanDerWaalsContact O-CA 3.31Å; A200-E206 WeakPolarHBondContact O-CA 3.37Å; A200-Q207 PolarHBondContact N-O 3.43Å; A200-Q207 PolarHBondContact O-N 3.28Å |
| 201 | S | 89.7 | Confident | 90.5 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 136.2 | -167.4 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | K143 E206 | K143-S201 PolarHBondContact N-O 2.77Å; K143-S201 PolarHBondContact O-N 3.47Å; S201-E206 WeakPolarHBondContact OG-CG 3.43Å |
| 202 | N | 87.3 | Confident | 91 | Very high | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | -175.5 | 162.6 | 77 | 1 | 0 | 0 | 0 | 110.1 | Y109 L139 P140 V142 A204 G205 | Y109-N202 PolarHBondContact O-ND2 3.38Å; L139-N202 PolarHBondContact O-ND2 3.19Å; P140-N202 PolarHBondContact O-ND2 2.67Å; V142-N202 HydrophobicContact CG2-CB 4.35Å; N202-A204 PolarHBondContact O-N 3.14Å; N202-A204 VanDerWaalsContact O-N 3.13Å; N202-A204 VanDerWaalsContact OD1-CB 3.3Å; N202-A204 WeakPolarHBondContact OD1-CB 3.22Å; N202-A204 PolarHBondContact OD1-N 2.69Å; N202-G205 PolarHBondContact N-O 3.15Å; N202-G205 PolarHBondContact O-N 2.79Å |
| 203 | I | 85.3 | Confident | 91.1 | Very high | 106 Ų | 106 | 37.4 Ų | 37.4 | 54% | 0.544 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -9.1 | -177.8 | 59.9 | 174.3 | 0 | 0 | 0 | 114.8 | F20 V108 P140 | F20-I203 HydrophobicContact CB-CD1 4.03Å; V108-I203 HydrophobicContact CB-CG1 4.38Å; V108-I203 HydrophobicContact CG1-CD1 3.62Å; V108-I203 HydrophobicContact CG1-CG1 3.8Å; P140-I203 HydrophobicContact CG-CD1 3.96Å; P140-I203 HydrophobicContact CG-CG1 3.8Å |
| 204 | A | 85.1 | Confident | 91.3 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 35% | 0.347 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -19 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V108 Y109 I110 N202 | V108-A204 HydrophobicContact CB-CB 4.07Å; V108-A204 HydrophobicContact CG2-CB 3.91Å; Y109-A204 VanDerWaalsContact CA-CB 3.46Å; I110-A204 HydrophobicContact CG2-CB 4.41Å; N202-A204 PolarHBondContact O-N 3.14Å; N202-A204 VanDerWaalsContact O-N 3.13Å; N202-A204 VanDerWaalsContact OD1-CB 3.3Å; N202-A204 WeakPolarHBondContact OD1-CB 3.22Å; N202-A204 PolarHBondContact OD1-N 2.69Å |
| 205 | G | 87.2 | Confident | 91.2 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.4 | -168 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N202 | N202-G205 PolarHBondContact N-O 3.15Å; N202-G205 PolarHBondContact O-N 2.79Å |
| 206 | E | 91.1 | Very high | 90.9 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 24% | 0.243 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 147.5 | 177.5 | -78.5 | 158 | 175.1 | 0 | 0 | 109.9 | K162 V199 A200 S201 | K162-E206 VanDerWaalsContact CD-OE2 3.28Å; K162-E206 WeakPolarHBondContact CD-OE2 3.41Å; K162-E206 WeakPolarHBondContact CE-OE1 3.27Å; K162-E206 WeakPolarHBondContact CE-OE2 3.49Å; K162-E206 IonicContact NZ-OE1 3.78Å; K162-E206 IonicContact NZ-OE2 2.82Å; K162-E206 PolarHBondContact NZ-OE2 2.79Å; V199-E206 HydrophobicContact CG1-CB 4.47Å; A200-E206 CarbonylContact O-C 3.55Å; A200-E206 VanDerWaalsContact O-CA 3.31Å; A200-E206 WeakPolarHBondContact O-CA 3.37Å; S201-E206 WeakPolarHBondContact OG-CG 3.43Å |
| 207 | Q | 91.7 | Very high | 90 | Very high | 58 Ų | 58 | 43.6 Ų | 43.6 | 27% | 0.271 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.6 | 172 | -65.2 | -66.9 | -13.1 | 0 | 0 | 108.6 | I110 S111 F114 P136 V199 A200 | I110-Q207 HydrophobicContact CD1-CB 4.26Å; I110-Q207 HydrophobicContact CD1-CG 3.79Å; I110-Q207 HydrophobicContact CG1-CG 3.89Å; I110-Q207 HydrophobicContact CG2-CG 4.18Å; S111-Q207 WeakPolarHBondContact O-CG 3.4Å; F114-Q207 HydrophobicContact CE2-CB 3.89Å; F114-Q207 HydrophobicContact CZ-CB 4.31Å; F114-Q207 WeakPolarHBondContact CZ-O 3.26Å; P136-Q207 HydrophobicContact CG-CB 4.08Å; P136-Q207 HydrophobicContact CG-CG 4.28Å; V199-Q207 WeakPolarHBondContact CA-O 3.38Å; A200-Q207 PolarHBondContact N-O 3.43Å; A200-Q207 PolarHBondContact O-N 3.28Å |
| 208 | V | 92.6 | Very high | 88.7 | Confident | 94 Ų | 94 | 47.1 Ų | 47.1 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.3 | -174.2 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | T197 V199 | T197-V208 HydrophobicContact CG2-CG1 3.74Å; V199-V208 HydrophobicContact CG1-CG2 4.04Å; V199-V208 HydrophobicContact CG2-CG1 4.33Å; V199-V208 HydrophobicContact CG2-CG2 4.23Å |
| 209 | S | 93.3 | Very high | 87.5 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 162.4 | 176.6 | 77.7 | 0 | 0 | 0 | 0 | 111.5 | P118 T197 C198 | P118-S209 WeakPolarHBondContact CG-OG 3.4Å; T197-S209 WeakPolarHBondContact CG2-O 3.49Å; C198-S209 WeakPolarHBondContact CB-OG 3.28Å; C198-S209 PolarHBondContact N-OG 2.98Å; C198-S209 WeakPolarHBondContact O-CB 2.92Å; C198-S209 PolarHBondContact O-N 3.36Å; C198-S209 PolarHBondContact O-OG 2.99Å |
| 210 | P | 92.5 | Very high | 86.2 | Confident | 76 Ų | 76 | 54.4 Ų | 54.4 | 49% | 0.494 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.6 | 150.3 | 153.5 | -23.1 | 35.1 | 0 | 0 | 0 | 110.6 | I117 P118 | I117-P210 HydrophobicContact CD1-CG 4.2Å; P118-P210 WeakPolarHBondContact CG-O 3.32Å |
| 211 | S | 92 | Very high | 85.2 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 139.2 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | Y196 T197 | Y196-S211 CarbonylContact O-C 3.33Å; Y196-S211 WeakPolarHBondContact O-CA 3.29Å; T197-S211 WeakPolarHBondContact CG2-OG 3.43Å; T197-S211 PolarHBondContact OG1-OG 3.19Å |
| 212 | A | 93.2 | Very high | 84.7 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P118 D120 M131 T195 Y196 | P118-A212 HydrophobicContact CB-CB 3.85Å; P118-A212 HydrophobicContact CG-CB 4.34Å; D120-A212 VanDerWaalsContact OD1-CA 3.25Å; D120-A212 WeakPolarHBondContact OD1-CA 3.37Å; M131-A212 HydrophobicContact CE-CB 3.89Å; T195-A212 CarbonylContact C-O 3.58Å; T195-A212 WeakPolarHBondContact CA-O 3.37Å; Y196-A212 PolarHBondContact N-O 3.3Å; Y196-A212 PolarHBondContact O-N 2.68Å |
| 213 | Y | 92.8 | Very high | 84.4 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 53% | 0.529 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 131.5 | 175.9 | -86.5 | -86.5 | 0 | 0 | 0 | 112.6 | D120 K121 T195 | D120-Y213 CarbonylContact C-O 3.59Å; D120-Y213 VanDerWaalsContact CA-O 3.29Å; D120-Y213 WeakPolarHBondContact CA-O 3.44Å; D120-Y213 PolarHBondContact OD1-N 2.81Å; K121-Y213 PolarHBondContact N-O 2.89Å; T195-Y213 HydrophobicContact CG2-CD1 3.87Å; T195-Y213 HydrophobicContact CG2-CD2 4.03Å; T195-Y213 HydrophobicContact CG2-CE1 3.44Å; T195-Y213 VanDerWaalsContact CG2-CE1 3.44Å; T195-Y213 HydrophobicContact CG2-CE2 3.61Å; T195-Y213 HydrophobicContact CG2-CG 4.15Å |
| 214 | L | 93.2 | Very high | 84.4 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.4 | 163.2 | -179 | 59.7 | 0 | 0 | 0 | 109.4 | K121 V123 V129 I185 S193 G194 Y196 V216 | K121-L214 HydrophobicContact CB-CD1 4.32Å; K121-L214 WeakPolarHBondContact O-CA 3.42Å; V123-L214 HydrophobicContact CG2-CD1 4.08Å; V129-L214 HydrophobicContact CG1-CD1 4.26Å; V129-L214 HydrophobicContact CG1-CD2 4.42Å; V129-L214 HydrophobicContact CG2-CD1 4.03Å; I185-L214 HydrophobicContact CD1-CD2 3.9Å; S193-L214 VanDerWaalsContact CA-O 3.26Å; S193-L214 WeakPolarHBondContact CA-O 3.19Å; G194-L214 PolarHBondContact N-O 2.85Å; G194-L214 PolarHBondContact O-N 3.47Å; Y196-L214 HydrophobicContact CD2-CB 3.91Å; Y196-L214 HydrophobicContact CE2-CB 3.75Å; Y196-L214 HydrophobicContact CE2-CD2 3.9Å; Y196-L214 HydrophobicContact CE2-CG 4.47Å; L214-V216 HydrophobicContact CG-CG2 4.2Å |
| 215 | I | 89.4 | Confident | 84.6 | Confident | 83 Ų | 83 | 67 Ų | 67 | 43% | 0.426 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 119.6 | 177.2 | -59.4 | 174.7 | 0 | 0 | 0 | 108.7 | K121 T122 V123 | K121-I215 PolarHBondContact O-N 3.07Å; T122-I215 CarbonylContact C-O 3.44Å; T122-I215 VanDerWaalsContact CA-O 3.32Å; T122-I215 WeakPolarHBondContact CA-O 3.4Å; T122-I215 HydrophobicContact CG2-CB 4.35Å; T122-I215 HydrophobicContact CG2-CG2 4.26Å; V123-I215 PolarHBondContact N-O 2.91Å |
| 216 | V | 86 | Confident | 84.7 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.3 | 179 | -171.6 | 0 | 0 | 0 | 0 | 110 | V123 E125 V188 I190 S193 L214 | V123-V216 HydrophobicContact CG2-CG2 4.22Å; V123-V216 WeakPolarHBondContact O-CA 3.45Å; E125-V216 HydrophobicContact CB-CG1 4.19Å; V188-V216 HydrophobicContact CG1-CB 4.27Å; V188-V216 HydrophobicContact CG1-CG1 3.86Å; V188-V216 HydrophobicContact CG1-CG2 3.35Å; I190-V216 HydrophobicContact CG1-CG1 4.38Å; S193-V216 WeakPolarHBondContact OG-CB 3.45Å; S193-V216 WeakPolarHBondContact OG-CG2 3.44Å; S193-V216 PolarHBondContact OG-N 2.84Å; L214-V216 HydrophobicContact CG-CG2 4.2Å |
| 217 | K | 75.4 | Confident | 84.6 | Confident | 113 Ų | 113 | 68.6 Ų | 68.6 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151.4 | 178.6 | -64.7 | 179 | 178.9 | 175.1 | 0 | 111 | T122 V123 H124 E125 | T122-K217 HydrophobicContact CG2-CD 3.95Å; T122-K217 HydrophobicContact CG2-CG 4.37Å; V123-K217 PolarHBondContact O-N 2.9Å; H124-K217 CarbonylContact C-O 3.59Å; H124-K217 WeakPolarHBondContact CA-O 3.4Å; E125-K217 PolarHBondContact N-O 2.97Å |
| 218 | S | 66.3 | Low | 84.6 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 139.8 | 167.1 | -51.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 219 | R | 68.1 | Low | 84.3 | Confident | 121 Ų | 121 | 68.4 Ų | 68.4 | 46% | 0.457 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 117.2 | 174.5 | -177.2 | -178.9 | -78.6 | -121.9 | 3.4 | 109.6 | H124 D127 R221 | H124-R219 HydrophobicContact CB-CB 4.06Å; D127-R219 IonicContact OD1-CZ 2.94Å; D127-R219 IonicContact OD1-NH2 2.72Å; D127-R219 PolarHBondContact OD1-NH2 3.28Å; R219-R221 WeakPolarHBondContact O-CG 3.48Å |
| 220 | T | 65.3 | Low | 84 | Confident | 36 Ų | 36 | 74.9 Ų | 74.9 | 22% | 0.221 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 136.7 | 176.2 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | V243 I293 | T220-V243 HydrophobicContact CG2-CG1 3.4Å; T220-V243 VanDerWaalsContact CG2-CG1 3.4Å; T220-I293 HydrophobicContact CG2-CD1 4.12Å |
| 221 | R | 71.5 | Confident | 83.7 | Confident | 166 Ų | 166 | 72.1 Ų | 72.1 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | trans | -122.4 | 158.9 | -177.7 | -52.2 | -176.7 | -175.4 | -162 | 0.1 | 111.9 | R219 V243 E244 | R219-R221 WeakPolarHBondContact O-CG 3.48Å; R221-V243 WeakPolarHBondContact O-CA 3.23Å; R221-E244 WeakPolarHBondContact O-CB 3.35Å; R221-E244 PolarHBondContact O-N 3.49Å | ||
| 222 | F | 78.8 | Confident | 83.3 | Confident | 52 Ų | 52 | 74 Ų | 74 | 23% | 0.228 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 141.1 | 163.6 | -68.9 | -71.8 | 0 | 0 | 0 | 110.1 | T225 K242 V243 I293 A295 | F222-T225 HydrophobicContact CB-CG2 3.75Å; F222-T225 HydrophobicContact CD2-CG2 4.11Å; F222-T225 HydrophobicContact CG-CG2 3.9Å; F222-K242 WeakPolarHBondContact CA-O 3.47Å; F222-V243 HydrophobicContact CD1-CG2 4.01Å; F222-V243 HydrophobicContact CE1-CG2 4.15Å; F222-I293 HydrophobicContact CD1-CD1 4.27Å; F222-I293 HydrophobicContact CD2-CD1 4.13Å; F222-I293 HydrophobicContact CE1-CD1 4.08Å; F222-I293 HydrophobicContact CE1-CG1 4.23Å; F222-I293 HydrophobicContact CE2-CB 3.82Å; F222-I293 HydrophobicContact CE2-CD1 3.94Å; F222-I293 HydrophobicContact CE2-CG1 3.94Å; F222-I293 HydrophobicContact CG-CD1 4.29Å; F222-I293 HydrophobicContact CZ-CB 3.99Å; F222-I293 HydrophobicContact CZ-CD1 3.91Å; F222-I293 HydrophobicContact CZ-CG1 3.72Å; F222-A295 HydrophobicContact CD2-CB 4.18Å; F222-A295 HydrophobicContact CE1-CB 4.25Å; F222-A295 HydrophobicContact CE2-CB 3.62Å; F222-A295 HydrophobicContact CZ-CB 3.67Å |
| 223 | L | 82.3 | Confident | 83 | Confident | 118 Ų | 118 | 79.2 Ų | 79.2 | 62% | 0.618 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -24.6 | 171.3 | -65.8 | 178.9 | 0 | 0 | 0 | 112.3 | K242 V243 E244 | L223-K242 HydrophobicContact CB-CB 4.09Å; L223-K242 PolarHBondContact N-O 2.83Å; L223-V243 WeakPolarHBondContact CD1-O 3.23Å; L223-E244 HydrophobicContact CD2-CB 4.38Å; L223-E244 HydrophobicContact CG-CB 4.33Å |
| 224 | E | 84.6 | Confident | 82.7 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 23% | 0.229 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 113.9 | 175 | -166.2 | 169.3 | -158.6 | 0 | 0 | 106 | K240 C241 K242 | E224-K240 HydrophobicContact CG-CB 4.38Å; E224-K240 HydrophobicContact CG-CD 4.26Å; E224-K240 WeakPolarHBondContact OE1-CD 3.36Å; E224-K240 WeakPolarHBondContact OE1-CE 3.39Å; E224-K240 IonicContact OE1-NZ 3.65Å; E224-K240 PolarHBondContact OE1-NZ 3.14Å; E224-C241 CarbonylContact O-C 3.6Å; E224-C241 VanDerWaalsContact O-CA 3.28Å; E224-C241 WeakPolarHBondContact O-CA 3.35Å; E224-K242 HydrophobicContact CB-CB 3.93Å; E224-K242 HydrophobicContact CB-CD 4.15Å; E224-K242 HydrophobicContact CB-CG 4.18Å; E224-K242 PolarHBondContact N-O 2.81Å; E224-K242 PolarHBondContact O-N 3.24Å; E224-K242 WeakPolarHBondContact OE2-CD 3.45Å; E224-K242 WeakPolarHBondContact OE2-CE 3.47Å; E224-K242 IonicContact OE2-NZ 3.7Å; E224-K242 PolarHBondContact OE2-NZ 3.04Å |
| 225 | T | 88.6 | Confident | 82.6 | Confident | 68 Ų | 68 | 83 Ų | 83 | 42% | 0.417 | 40% | 0.401 | S | S | . | . | trans | -84 | 161.8 | 176.4 | 49 | 0 | 0 | 0 | 0 | 111 | F222 K240 A295 | F222-T225 HydrophobicContact CB-CG2 3.75Å; F222-T225 HydrophobicContact CD2-CG2 4.11Å; F222-T225 HydrophobicContact CG-CG2 3.9Å; T225-K240 CarbonylContact C-O 3.57Å; T225-A295 HydrophobicContact CG2-CB 4.07Å | ||
| 226 | P | 89.8 | Confident | 82.7 | Confident | 7 Ų | 7 | 83 Ų | 83 | 5% | 0.045 | 40% | 0.401 | C | S | . | . | trans | -61.1 | 160.1 | 160.9 | 30.4 | -36.6 | 0 | 0 | 0 | 110.8 | K240 W251 C287 A295 A297 | P226-K240 WeakPolarHBondContact CA-O 3.47Å; P226-K240 VanDerWaalsContact N-O 3.14Å; P226-W251 HydrophobicContact CB-CH2 3.96Å; P226-W251 HydrophobicContact CB-CZ3 4.01Å; P226-W251 HydrophobicContact CG-CZ3 4.48Å; P226-C287 HydrophobicContact CG-CB 4.32Å; P226-A295 HydrophobicContact CG-CB 4.22Å; P226-A295 WeakPolarHBondContact CG-O 3.29Å; P226-A297 HydrophobicContact CB-CB 3.71Å; P226-A297 HydrophobicContact CG-CB 4.31Å | ||
| 227 | V | 89.1 | Confident | 82.9 | Confident | 100 Ų | 100 | 82.4 Ų | 82.4 | 61% | 0.606 | 40% | 0.398 | S | S | * | . | trans | -142.4 | 142.5 | -178.6 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | A297 | V227-A297 VanDerWaalsContact C-CB 3.43Š| ||
| 228 | D | 91.1 | Very high | 83.7 | Confident | 103 Ų | 103 | 82 Ų | 82 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | trans | -53.3 | 135.2 | 176.6 | -73.2 | 4.6 | 0 | 0 | 0 | 112 | A297 T298 | D228-A297 WeakPolarHBondContact OD1-CA 3.41Å; D228-T298 WeakPolarHBondContact CA-O 3.43Å; D228-T298 PolarHBondContact OD1-N 3.44Å | ||
| 229 | I | 87.5 | Confident | 84.9 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 23% | 0.226 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 133.3 | -179.1 | 51.4 | 176.2 | 0 | 0 | 0 | 112.9 | V231 I237 L239 T298 V299 T300 | I229-V231 HydrophobicContact CB-CG2 4.32Å; I229-V231 HydrophobicContact CD1-CG2 4.31Å; I229-V231 HydrophobicContact CG1-CG2 4.39Å; I229-I237 HydrophobicContact CD1-CG2 3.65Å; I229-L239 HydrophobicContact CD1-CD2 3.54Å; I229-L239 HydrophobicContact CD1-CG 3.97Å; I229-L239 HydrophobicContact CG1-CD2 3.85Å; I229-T298 PolarHBondContact N-O 2.83Å; I229-V299 HydrophobicContact CD1-CG2 4.28Å; I229-V299 HydrophobicContact CG1-CG2 3.99Å; I229-V299 WeakPolarHBondContact O-CA 3.02Å; I229-T300 PolarHBondContact O-N 3.17Å |
| 230 | R | 87.3 | Confident | 86 | Confident | 143 Ų | 143 | 77.5 Ų | 77.5 | 54% | 0.54 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.7 | 171.3 | -60.7 | -170.5 | 64.6 | 148.3 | 4.4 | 109.6 | T300 D302 P332 | R230-T300 WeakPolarHBondContact CA-O 3.36Å; R230-D302 IonicContact CZ-OD1 2.63Å; R230-D302 IonicContact CZ-OD2 2.69Å; R230-D302 IonicContact NE-OD1 3.67Å; R230-D302 PolarHBondContact NE-OD1 2.89Å; R230-D302 IonicContact NE-OD2 3.4Å; R230-D302 PolarHBondContact NE-OD2 3.08Å; R230-D302 VanDerWaalsContact NE-OD2 3.11Å; R230-D302 IonicContact NH2-OD1 2.88Å; R230-D302 PolarHBondContact NH2-OD1 3.23Å; R230-D302 IonicContact NH2-OD2 3.46Å; R230-P332 VanDerWaalsContact NH2-CG 3.35Å |
| 231 | V | 86.1 | Confident | 87.2 | Confident | 18 Ų | 18 | 75.8 Ų | 75.8 | 11% | 0.109 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.5 | -168.7 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | I229 K233 R235 I237 A277 T300 V301 D302 | I229-V231 HydrophobicContact CB-CG2 4.32Å; I229-V231 HydrophobicContact CD1-CG2 4.31Å; I229-V231 HydrophobicContact CG1-CG2 4.39Å; V231-K233 PolarHBondContact O-N 2.75Å; V231-R235 HydrophobicContact CG1-CB 3.68Å; V231-I237 HydrophobicContact CB-CG1 4.23Å; V231-I237 HydrophobicContact CG1-CG1 4.05Å; V231-I237 HydrophobicContact CG2-CG1 4.09Å; V231-A277 HydrophobicContact CG1-CB 4.18Å; V231-T300 PolarHBondContact N-O 3.36Å; V231-V301 CarbonylContact O-C 3.59Å; V231-V301 VanDerWaalsContact O-CA 3.27Å; V231-V301 WeakPolarHBondContact O-CA 3.32Å; V231-D302 PolarHBondContact O-N 3.32Å |
| 232 | K | 83.8 | Confident | 87.9 | Confident | 106 Ų | 106 | 72.1 Ų | 72.1 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 137.1 | 175.3 | -64.1 | -165.6 | -179.9 | -164.8 | 0 | 110.4 | G234 R235 D302 I390 | K232-G234 PolarHBondContact O-N 3.04Å; K232-R235 HydrophobicContact CB-CG 4.5Å; K232-R235 WeakPolarHBondContact O-CB 3.36Å; K232-R235 WeakPolarHBondContact O-CG 3.19Å; K232-R235 PolarHBondContact O-N 2.86Å; K232-R235 VanDerWaalsContact O-N 3.08Å; K232-D302 WeakPolarHBondContact CA-O 3.38Å; K232-D302 HydrophobicContact CG-CB 4.48Å; K232-I390 HydrophobicContact CD-CG2 4.49Å |
| 233 | K | 86.2 | Confident | 88 | Confident | 110 Ų | 110 | 70.2 Ų | 70.2 | 48% | 0.478 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44 | 132.8 | 175.9 | -174 | -176.6 | -179.8 | 179.7 | 0 | 111.6 | V231 A277 V301 D302 T303 | V231-K233 PolarHBondContact O-N 2.75Å; K233-A277 WeakPolarHBondContact CA-O 3.02Å; K233-A277 WeakPolarHBondContact CG-O 3.47Å; K233-V301 HydrophobicContact CB-CG1 4.09Å; K233-D302 PolarHBondContact N-O 2.84Å; K233-T303 HydrophobicContact CB-CG2 4.07Å; K233-T303 HydrophobicContact CD-CG2 4.23Å |
| 234 | G | 87.4 | Confident | 87.6 | Confident | 38 Ų | 38 | 68.9 Ų | 68.9 | 39% | 0.392 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 0.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | K232 N276 A277 | K232-G234 PolarHBondContact O-N 3.04Å; G234-N276 WeakPolarHBondContact CA-OD1 3.43Å; G234-A277 PolarHBondContact N-O 3.13Å |
| 235 | R | 90.3 | Very high | 86.8 | Confident | 178 Ų | 178 | 69 Ų | 69 | 67% | 0.672 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -91.6 | 167.6 | 167.7 | -63.6 | -62.7 | -174.7 | 169.9 | -1.4 | 111.5 | V231 K232 A277 | V231-R235 HydrophobicContact CG1-CB 3.68Å; K232-R235 HydrophobicContact CB-CG 4.5Å; K232-R235 WeakPolarHBondContact O-CB 3.36Å; K232-R235 WeakPolarHBondContact O-CG 3.19Å; K232-R235 PolarHBondContact O-N 2.86Å; K232-R235 VanDerWaalsContact O-N 3.08Å; R235-A277 WeakPolarHBondContact O-CB 3.38Å; R235-A277 PolarHBondContact O-N 2.63Å |
| 236 | D | 90.5 | Very high | 85.7 | Confident | 81 Ų | 81 | 74 Ų | 74 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 135 | 177.9 | -68.1 | -1.1 | 0 | 0 | 0 | 110.8 | L273 I274 R275 N276 | D236-L273 HydrophobicContact CB-CD1 4.09Å; D236-I274 CarbonylContact C-O 3.17Å; D236-I274 WeakPolarHBondContact CA-O 3.11Å; D236-R275 VanDerWaalsContact OD1-CA 3.24Å; D236-R275 WeakPolarHBondContact OD1-CA 3.28Å; D236-N276 PolarHBondContact OD1-N 2.88Å |
| 237 | I | 91.1 | Very high | 84.7 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.9 | 178.5 | -64.8 | 156.9 | 0 | 0 | 0 | 107.6 | I229 V231 L239 L273 I274 A277 D281 V299 V301 | I229-I237 HydrophobicContact CD1-CG2 3.65Å; V231-I237 HydrophobicContact CB-CG1 4.23Å; V231-I237 HydrophobicContact CG1-CG1 4.05Å; V231-I237 HydrophobicContact CG2-CG1 4.09Å; I237-L239 HydrophobicContact CG2-CG 4.37Å; I237-L273 CarbonylContact O-C 3.52Å; I237-L273 VanDerWaalsContact O-CA 3.32Å; I237-L273 WeakPolarHBondContact O-CA 3.4Å; I237-I274 HydrophobicContact CB-CB 4.17Å; I237-I274 HydrophobicContact CD1-CB 4.34Å; I237-I274 PolarHBondContact N-O 2.82Å; I237-I274 PolarHBondContact O-N 2.85Å; I237-A277 HydrophobicContact CD1-CB 3.58Å; I237-A277 HydrophobicContact CG1-CB 3.9Å; I237-D281 HydrophobicContact CD1-CB 3.87Å; I237-V299 HydrophobicContact CD1-CG1 3.92Å; I237-V299 HydrophobicContact CG1-CG1 4.21Å; I237-V299 HydrophobicContact CG2-CG1 4.2Å; I237-V299 HydrophobicContact CG2-CG2 4Å; I237-V301 HydrophobicContact CD1-CG2 4.39Å |
| 238 | K | 91.7 | Very high | 84.1 | Confident | 104 Ų | 104 | 77.6 Ų | 77.6 | 45% | 0.452 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 101.4 | 176.9 | -173.1 | 167.7 | -177.4 | 158.5 | 0 | 112.1 | Y271 L272 L273 | K238-Y271 HydrophobicContact CD-CD2 4.4Å; K238-Y271 HydrophobicContact CG-CD2 4.37Å; K238-Y271 VanDerWaalsContact NZ-CE1 3.28Å; K238-L272 WeakPolarHBondContact CA-O 3.45Å; K238-L273 HydrophobicContact CB-CD1 4.13Å |
| 239 | L | 93 | Very high | 83.8 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.016 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.4 | 175.8 | -64.7 | 167.1 | 0 | 0 | 0 | 109.4 | I229 I237 W251 Y271 L272 Y285 A297 V299 | I229-L239 HydrophobicContact CD1-CD2 3.54Å; I229-L239 HydrophobicContact CD1-CG 3.97Å; I229-L239 HydrophobicContact CG1-CD2 3.85Å; I237-L239 HydrophobicContact CG2-CG 4.37Å; L239-W251 HydrophobicContact CB-CH2 3.48Å; L239-W251 VanDerWaalsContact CB-CH2 3.48Å; L239-W251 HydrophobicContact CB-CZ2 4.31Å; L239-W251 HydrophobicContact CB-CZ3 3.67Å; L239-W251 HydrophobicContact CD1-CZ3 4.05Å; L239-W251 HydrophobicContact CG-CZ3 4.47Å; L239-W251 WeakPolarHBondContact O-CZ2 3.45Å; L239-Y271 CarbonylContact O-C 3.59Å; L239-Y271 WeakPolarHBondContact O-CA 3.2Å; L239-Y271 VanDerWaalsContact O-CB 3.23Å; L239-Y271 WeakPolarHBondContact O-CB 3.37Å; L239-L272 HydrophobicContact CD1-CD2 4.43Å; L239-L272 PolarHBondContact N-O 2.89Å; L239-L272 PolarHBondContact O-N 2.9Å; L239-Y285 HydrophobicContact CD1-CD1 3.86Å; L239-Y285 HydrophobicContact CD1-CD2 4.07Å; L239-Y285 HydrophobicContact CD1-CG 3.51Å; L239-A297 HydrophobicContact CD2-CB 4.24Å; L239-V299 HydrophobicContact CD1-CG2 3.92Å; L239-V299 HydrophobicContact CD2-CG2 4.22Å; L239-V299 HydrophobicContact CG-CG2 4.37Å |
| 240 | K | 90.9 | Very high | 83.7 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 44% | 0.443 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 151.9 | 177.3 | -58.3 | -179.6 | -171.2 | 164.9 | 0 | 111 | E224 T225 P226 W251 S270 | E224-K240 HydrophobicContact CG-CB 4.38Å; E224-K240 HydrophobicContact CG-CD 4.26Å; E224-K240 WeakPolarHBondContact OE1-CD 3.36Å; E224-K240 WeakPolarHBondContact OE1-CE 3.39Å; E224-K240 IonicContact OE1-NZ 3.65Å; E224-K240 PolarHBondContact OE1-NZ 3.14Å; T225-K240 CarbonylContact C-O 3.57Å; P226-K240 WeakPolarHBondContact CA-O 3.47Å; P226-K240 VanDerWaalsContact N-O 3.14Å; K240-W251 WeakPolarHBondContact O-CH2 3.16Å; K240-S270 WeakPolarHBondContact CA-O 3.43Å |
| 241 | C | 89.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | trans | -156.6 | 126.7 | 166.6 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | E224 V249 W251 S270 C287 | E224-C241 CarbonylContact O-C 3.6Å; E224-C241 VanDerWaalsContact O-CA 3.28Å; E224-C241 WeakPolarHBondContact O-CA 3.35Å; C241-V249 HydrophobicContact CB-CG1 4.43Å; C241-W251 HydrophobicContact CB-CH2 3.76Å; C241-W251 HydrophobicContact CB-CZ2 3.37Å; C241-S270 PolarHBondContact N-O 2.91Å; C241-S270 CarbonylContact O-C 3.58Å; C241-S270 VanDerWaalsContact O-CA 3.28Å; C241-S270 WeakPolarHBondContact O-CA 3.45Å; C241-C287 HydrophobicContact CB-CB 3.66Å; C241-C287 WeakPolarHBondContact CB-SG 3.45Å; C241-C287 WeakPolarHBondContact SG-CB 3.48Å; C241-C287 CovalentContact SG-SG 2.03Å; C241-C287 PolarHBondContact SG-SG 2.58Å | ||
| 242 | K | 86.3 | Confident | 83.9 | Confident | 90 Ų | 90 | 75 Ų | 75 | 39% | 0.391 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 150.1 | 176.5 | -66 | 177.9 | -174.7 | 146.4 | 0 | 110.8 | F222 L223 E224 | F222-K242 WeakPolarHBondContact CA-O 3.47Å; L223-K242 HydrophobicContact CB-CB 4.09Å; L223-K242 PolarHBondContact N-O 2.83Å; E224-K242 HydrophobicContact CB-CB 3.93Å; E224-K242 HydrophobicContact CB-CD 4.15Å; E224-K242 HydrophobicContact CB-CG 4.18Å; E224-K242 PolarHBondContact N-O 2.81Å; E224-K242 PolarHBondContact O-N 3.24Å; E224-K242 WeakPolarHBondContact OE2-CD 3.45Å; E224-K242 WeakPolarHBondContact OE2-CE 3.47Å; E224-K242 IonicContact OE2-NZ 3.7Å; E224-K242 PolarHBondContact OE2-NZ 3.04Å |
| 243 | V | 81.4 | Confident | 84.1 | Confident | 12 Ų | 12 | 71.2 Ų | 71.2 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152.1 | -172.4 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | T220 R221 F222 L223 G245 H247 V249 A289 I293 | T220-V243 HydrophobicContact CG2-CG1 3.4Å; T220-V243 VanDerWaalsContact CG2-CG1 3.4Å; R221-V243 WeakPolarHBondContact O-CA 3.23Å; F222-V243 HydrophobicContact CD1-CG2 4.01Å; F222-V243 HydrophobicContact CE1-CG2 4.15Å; L223-V243 WeakPolarHBondContact CD1-O 3.23Å; V243-G245 PolarHBondContact O-N 3.03Å; V243-H247 HydrophobicContact CG1-CB 4.2Å; V243-V249 HydrophobicContact CG2-CG1 3.57Å; V243-A289 HydrophobicContact CG1-CB 4.24Å; V243-A289 HydrophobicContact CG2-CB 3.67Å; V243-I293 HydrophobicContact CG1-CD1 4.1Å |
| 244 | E | 74.1 | Confident | 83.7 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -68.1 | 121.4 | 176 | -171.1 | 172.5 | -155.1 | 0 | 0 | 111 | R221 L223 H247 | R221-E244 WeakPolarHBondContact O-CB 3.35Å; R221-E244 PolarHBondContact O-N 3.49Å; L223-E244 HydrophobicContact CD2-CB 4.38Å; L223-E244 HydrophobicContact CG-CB 4.33Å; E244-H247 PolarHBondContact O-CD2 3Å; E244-H247 VanDerWaalsContact O-CD2 3.28Å |
| 245 | G | 66.2 | Low | 83.1 | Confident | 50 Ų | 50 | 66.3 Ų | 66.3 | 52% | 0.515 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 83.7 | 171.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114 | V243 H247 | V243-G245 PolarHBondContact O-N 3.03Å; G245-H247 PolarHBondContact O-N 2.89Å |
| 246 | N | 65.3 | Low | 82 | Confident | 175 Ų | 175 | 60.7 Ų | 60.7 | 94% | 0.936 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -77.7 | 59.1 | -177.8 | -68.7 | 10.9 | 0 | 0 | 0 | 111.9 | ||
| 247 | H | 70.5 | Confident | 81.3 | Confident | 79 Ų | 79 | 59.7 Ų | 59.7 | 37% | 0.366 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -98.9 | 123.5 | 177.5 | -66.9 | -41.1 | 0 | 0 | 0 | 111 | V243 E244 G245 V249 A290 | V243-H247 HydrophobicContact CG1-CB 4.2Å; E244-H247 PolarHBondContact O-CD2 3Å; E244-H247 VanDerWaalsContact O-CD2 3.28Å; G245-H247 PolarHBondContact O-N 2.89Å; H247-V249 PolarHBondContact O-N 2.9Å; H247-A290 HydrophobicContact CB-CB 4.24Å |
| 248 | V | 75.8 | Confident | 80.5 | Confident | 103 Ų | 103 | 65.7 Ų | 65.7 | 62% | 0.624 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 121 | -179.1 | -179 | 0 | 0 | 0 | 0 | 110.7 | ||
| 249 | V | 83.8 | Confident | 80 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.024 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 148.3 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 112 | C241 V243 H247 | C241-V249 HydrophobicContact CB-CG1 4.43Å; V243-V249 HydrophobicContact CG2-CG1 3.57Å; H247-V249 PolarHBondContact O-N 2.9Å |
| 250 | K | 86.8 | Confident | 79.6 | Confident | 143 Ų | 143 | 68 Ų | 68 | 62% | 0.622 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 139.2 | 173 | -63.2 | 173.7 | -177 | 174.3 | 0 | 109.9 | T288 | K250-T288 WeakPolarHBondContact CB-OG1 3.07Å; K250-T288 PolarHBondContact N-O 3.45Å; K250-T288 PolarHBondContact O-N 3.43Å; K250-T288 PolarHBondContact O-OG1 3.28Å |
| 251 | W | 88.9 | Confident | 79.2 | Confident | 29 Ų | 29 | 65.3 Ų | 65.3 | 11% | 0.11 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 142 | 178.2 | -62.1 | 78.2 | 0 | 0 | 0 | 111.4 | P226 L239 K240 C241 I260 L267 L272 I286 C287 | P226-W251 HydrophobicContact CB-CH2 3.96Å; P226-W251 HydrophobicContact CB-CZ3 4.01Å; P226-W251 HydrophobicContact CG-CZ3 4.48Å; L239-W251 HydrophobicContact CB-CH2 3.48Å; L239-W251 VanDerWaalsContact CB-CH2 3.48Å; L239-W251 HydrophobicContact CB-CZ2 4.31Å; L239-W251 HydrophobicContact CB-CZ3 3.67Å; L239-W251 HydrophobicContact CD1-CZ3 4.05Å; L239-W251 HydrophobicContact CG-CZ3 4.47Å; L239-W251 WeakPolarHBondContact O-CZ2 3.45Å; K240-W251 WeakPolarHBondContact O-CH2 3.16Å; C241-W251 HydrophobicContact CB-CH2 3.76Å; C241-W251 HydrophobicContact CB-CZ2 3.37Å; W251-I260 HydrophobicContact CB-CD1 4.13Å; W251-L267 HydrophobicContact CG-CD1 4.44Å; W251-L272 HydrophobicContact CB-CD2 4.1Å; W251-L272 HydrophobicContact CD2-CB 3.76Å; W251-L272 HydrophobicContact CD2-CD2 4.02Å; W251-L272 HydrophobicContact CE3-CB 4.28Å; W251-L272 HydrophobicContact CE3-CD2 4.06Å; W251-L272 HydrophobicContact CG-CB 4.01Å; W251-L272 HydrophobicContact CG-CD2 4.08Å; W251-L272 HydrophobicContact CZ2-CB 4.08Å; W251-I286 WeakPolarHBondContact CA-O 3.38Å; W251-C287 HydrophobicContact CD2-CB 4.34Å; W251-C287 HydrophobicContact CE3-CB 4.16Å; W251-C287 HydrophobicContact CH2-CB 4.22Å; W251-C287 HydrophobicContact CZ2-CB 4.4Å; W251-C287 HydrophobicContact CZ3-CB 4.09Å |
| 252 | K | 87.4 | Confident | 78.8 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 34% | 0.335 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154 | 168.7 | 62.7 | -171.5 | -179.5 | -178.2 | 0 | 108 | I286 T288 E294 | K252-I286 HydrophobicContact CD-CB 4.35Å; K252-I286 VanDerWaalsContact CE-CG2 3.44Å; K252-I286 HydrophobicContact CG-CB 3.77Å; K252-I286 HydrophobicContact CG-CD1 4.42Å; K252-I286 HydrophobicContact CG-CG1 4.46Å; K252-I286 PolarHBondContact N-O 3.26Å; K252-I286 PolarHBondContact O-N 2.96Å; K252-T288 HydrophobicContact CD-CG2 4.05Å; K252-T288 HydrophobicContact CG-CG2 4.46Å; K252-E294 IonicContact NZ-OE1 2.62Å; K252-E294 PolarHBondContact NZ-OE1 2.93Å; K252-E294 IonicContact NZ-OE2 3.38Å; K252-E294 PolarHBondContact NZ-OE2 3.17Å |
| 253 | R | 89.2 | Confident | 78.7 | Confident | 27 Ų | 27 | 74.2 Ų | 74.2 | 10% | 0.102 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 169.6 | 168.2 | -90.4 | -174.2 | 69.1 | 166.7 | 12.3 | 111.5 | E257 E258 I260 S280 S282 T284 Y285 | R253-E257 HydrophobicContact CB-CB 4.3Å; R253-E257 IonicContact CZ-OE2 2.65Å; R253-E257 VanDerWaalsContact CZ-OE2 3.23Å; R253-E257 IonicContact NE-OE2 3.75Å; R253-E257 PolarHBondContact NE-OE2 3.12Å; R253-E257 IonicContact NH2-OE2 3.27Å; R253-E257 PolarHBondContact NH2-OE2 3.33Å; R253-E258 VanDerWaalsContact CD-O 3.24Å; R253-E258 WeakPolarHBondContact CD-O 3.04Å; R253-E258 PolarHBondContact NE-O 3.11Å; R253-I260 HydrophobicContact CG-CD1 4.48Å; R253-I260 HydrophobicContact CG-CG1 3.73Å; R253-S280 PolarHBondContact NH1-O 3.05Å; R253-S280 PolarHBondContact NH2-O 3.24Å; R253-S282 PolarHBondContact NH2-O 2.93Å; R253-T284 CarbonylContact C-O 3.55Å; R253-T284 WeakPolarHBondContact CA-O 3.05Å; R253-Y285 HydrophobicContact CG-CD1 3.72Å; R253-Y285 HydrophobicContact CG-CD2 4.39Å; R253-Y285 HydrophobicContact CG-CE1 3.45Å; R253-Y285 VanDerWaalsContact CG-CE1 3.45Å; R253-Y285 HydrophobicContact CG-CE2 4.16Å; R253-Y285 HydrophobicContact CG-CG 4.2Å |
| 254 | G | 78.3 | Confident | 79.1 | Confident | 3 Ų | 3 | 75.9 Ų | 75.9 | 3% | 0.031 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 135.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | G256 E257 T284 | G254-G256 PolarHBondContact O-N 2.78Å; G254-E257 WeakPolarHBondContact CA-OE1 3.42Å; G254-E257 WeakPolarHBondContact O-CB 3.43Å; G254-E257 WeakPolarHBondContact O-CG 3.46Å; G254-E257 PolarHBondContact O-N 2.9Å; G254-T284 PolarHBondContact N-O 3.05Å |
| 255 | P | 74.1 | Confident | 79.6 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 129 | 175.2 | -22.4 | 31.4 | 0 | 0 | 0 | 110.7 | T1288 S1289 | P255-T1288 CarbonylContact C-O 3.56Å; P255-T1288 VanDerWaalsContact CB-C 3.47Å; P255-T1288 WeakPolarHBondContact CB-O 3.09Å; P255-T1288 VanDerWaalsContact CB-OG1 3.25Å; P255-T1288 WeakPolarHBondContact CB-OG1 3.44Å; P255-T1288 CarbonylContact O-C 3.59Å; P255-T1288 VanDerWaalsContact O-O 3.1Å; P255-S1289 VanDerWaalsContact CB-OG 3.29Å; P255-S1289 WeakPolarHBondContact CB-OG 3.48Å; P255-S1289 VanDerWaalsContact CD-OG 3.28Å; P255-S1289 WeakPolarHBondContact CD-OG 3.42Å; P255-S1289 WeakPolarHBondContact CG-OG 3.4Å; P255-S1289 PolarHBondContact O-N 3.04Å; P255-S1289 PolarHBondContact O-OG 3.13Å |
| 256 | G | 66.6 | Low | 80.5 | Confident | 60 Ų | 60 | 73.9 Ų | 73.9 | 62% | 0.619 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.7 | -16.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G254 T1288 | G254-G256 PolarHBondContact O-N 2.78Å; G256-T1288 PolarHBondContact N-O 2.67Å |
| 257 | E | 75.5 | Confident | 81 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 28% | 0.276 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -92.2 | 162.7 | -177.3 | -56.5 | 174.3 | -156.2 | 0 | 0 | 113.3 | R253 G254 G283 T284 | R253-E257 HydrophobicContact CB-CB 4.3Å; R253-E257 IonicContact CZ-OE2 2.65Å; R253-E257 VanDerWaalsContact CZ-OE2 3.23Å; R253-E257 IonicContact NE-OE2 3.75Å; R253-E257 PolarHBondContact NE-OE2 3.12Å; R253-E257 IonicContact NH2-OE2 3.27Å; R253-E257 PolarHBondContact NH2-OE2 3.33Å; G254-E257 WeakPolarHBondContact CA-OE1 3.42Å; G254-E257 WeakPolarHBondContact O-CB 3.43Å; G254-E257 WeakPolarHBondContact O-CG 3.46Å; G254-E257 PolarHBondContact O-N 2.9Å; E257-G283 WeakPolarHBondContact OE2-CA 3.49Å; E257-T284 VanDerWaalsContact CD-N 3.32Å; E257-T284 WeakPolarHBondContact OE1-CB 3.38Å; E257-T284 PolarHBondContact OE1-N 3.29Å; E257-T284 PolarHBondContact OE1-OG1 3.48Å; E257-T284 PolarHBondContact OE2-N 3.5Å; E257-T284 VanDerWaalsContact OE2-N 3.14Å |
| 258 | E | 75.7 | Confident | 81 | Confident | 127 Ų | 127 | 69.2 Ų | 69.2 | 59% | 0.593 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 148.7 | 173.8 | -60.7 | -171.5 | 146.7 | 0 | 0 | 111.6 | R253 | R253-E258 VanDerWaalsContact CD-O 3.24Å; R253-E258 WeakPolarHBondContact CD-O 3.04Å; R253-E258 PolarHBondContact NE-O 3.11Å |
| 259 | P | 80 | Confident | 80.6 | Confident | 118 Ų | 118 | 72 Ų | 72 | 77% | 0.766 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 154.1 | 173.9 | -24.5 | 34.7 | 0 | 0 | 0 | 113.2 | D261 | P259-D261 PolarHBondContact O-N 2.84Š|
| 260 | I | 84.3 | Confident | 80.1 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 20% | 0.2 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 121.2 | 172.3 | -56.7 | 172.3 | 0 | 0 | 0 | 109.1 | W251 R253 P262 A265 L272 I274 Y285 | W251-I260 HydrophobicContact CB-CD1 4.13Å; R253-I260 HydrophobicContact CG-CD1 4.48Å; R253-I260 HydrophobicContact CG-CG1 3.73Å; I260-P262 VanDerWaalsContact O-CD 3.26Å; I260-P262 WeakPolarHBondContact O-CD 3.49Å; I260-A265 HydrophobicContact CG2-CB 3.4Å; I260-L272 HydrophobicContact CD1-CD2 3.88Å; I260-L272 HydrophobicContact CG2-CD1 4.46Å; I260-I274 HydrophobicContact CG2-CD1 4.28Å; I260-Y285 HydrophobicContact CD1-CD1 4.33Å; I260-Y285 HydrophobicContact CD1-CE1 4.29Å; I260-Y285 HydrophobicContact CG1-CE1 4.04Å |
| 261 | D | 83 | Confident | 80 | Confident | 45 Ų | 45 | 69 Ų | 69 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | trans | -62.9 | 109.5 | 178.4 | 175.3 | 2.8 | 0 | 0 | 0 | 111.5 | P259 H263 R264 A265 | P259-D261 PolarHBondContact O-N 2.84Å; D261-H263 PolarHBondContact O-N 2.93Å; D261-H263 WeakPolarHBondContact OD1-CB 3.12Å; D261-H263 IonicContact OD1-CD2 3.82Å; D261-H263 IonicContact OD1-CG 2.71Å; D261-H263 PolarHBondContact OD1-N 2.97Å; D261-R264 PolarHBondContact O-N 2.69Å; D261-R264 IonicContact OD2-CZ 3.77Å; D261-R264 IonicContact OD2-NE 2.68Å; D261-R264 PolarHBondContact OD2-NE 2.85Å; D261-R264 IonicContact OD2-NH2 3.17Å; D261-R264 PolarHBondContact OD2-NH2 2.62Å; D261-A265 WeakPolarHBondContact O-CB 3.46Å; D261-A265 PolarHBondContact O-N 2.92Å | ||
| 262 | P | 82 | Confident | 80.1 | Confident | 104 Ų | 104 | 68 Ų | 68 | 68% | 0.675 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -7.6 | -175.6 | 33.8 | -37 | 0 | 0 | 0 | 113.4 | I260 | I260-P262 VanDerWaalsContact O-CD 3.26Å; I260-P262 WeakPolarHBondContact O-CD 3.49Å |
| 263 | H | 84.3 | Confident | 80.3 | Confident | 173 Ų | 173 | 65.2 Ų | 65.2 | 80% | 0.801 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -19.1 | 174.8 | -61.8 | -67.8 | 0 | 0 | 0 | 112.7 | D261 | D261-H263 PolarHBondContact O-N 2.93Å; D261-H263 WeakPolarHBondContact OD1-CB 3.12Å; D261-H263 IonicContact OD1-CD2 3.82Å; D261-H263 IonicContact OD1-CG 2.71Å; D261-H263 PolarHBondContact OD1-N 2.97Å |
| 264 | R | 88.8 | Confident | 80.5 | Confident | 47 Ų | 47 | 64 Ų | 64 | 18% | 0.177 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -15.5 | 176.9 | -66.3 | -175.1 | -61.3 | 116.3 | 9.3 | 113.7 | D261 I274 R275 N276 D281 | D261-R264 PolarHBondContact O-N 2.69Å; D261-R264 IonicContact OD2-CZ 3.77Å; D261-R264 IonicContact OD2-NE 2.68Å; D261-R264 PolarHBondContact OD2-NE 2.85Å; D261-R264 IonicContact OD2-NH2 3.17Å; D261-R264 PolarHBondContact OD2-NH2 2.62Å; R264-I274 HydrophobicContact CB-CG2 4.23Å; R264-I274 WeakPolarHBondContact O-CA 3.41Å; R264-R275 PolarHBondContact O-N 3.2Å; R264-N276 PolarHBondContact NH1-O 3.2Å; R264-N276 VanDerWaalsContact NH1-O 3.11Å; R264-D281 IonicContact CZ-OD1 2.7Å; R264-D281 IonicContact CZ-OD2 2.69Å; R264-D281 IonicContact NH1-OD1 2.75Å; R264-D281 PolarHBondContact NH1-OD1 3.23Å; R264-D281 IonicContact NH1-OD2 2.66Å; R264-D281 PolarHBondContact NH1-OD2 2.93Å; R264-D281 IonicContact NH2-OD1 2.66Å; R264-D281 PolarHBondContact NH2-OD1 2.92Å; R264-D281 IonicContact NH2-OD2 3.75Å |
| 265 | A | 85.6 | Confident | 81.1 | Confident | 27 Ų | 27 | 69.4 Ų | 69.4 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I260 D261 L272 L273 I274 | I260-A265 HydrophobicContact CG2-CB 3.4Å; D261-A265 WeakPolarHBondContact O-CB 3.46Å; D261-A265 PolarHBondContact O-N 2.92Å; A265-L272 HydrophobicContact CB-CD1 4.19Å; A265-L273 CarbonylContact C-O 3.54Å; A265-L273 VanDerWaalsContact CA-O 3.3Å; A265-L273 WeakPolarHBondContact CA-O 3.22Å; A265-I274 HydrophobicContact CB-CG1 4.15Å |
| 266 | E | 83.9 | Confident | 81.8 | Confident | 71 Ų | 71 | 71.4 Ų | 71.4 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 122.4 | 177.1 | -177.2 | -174.7 | 140.4 | 0 | 0 | 108.5 | L273 R275 | E266-L273 HydrophobicContact CB-CB 4.3Å; E266-L273 PolarHBondContact N-O 2.8Å; E266-L273 PolarHBondContact O-N 2.95Å; E266-R275 IonicContact OE2-CZ 3.68Å; E266-R275 IonicContact OE2-NE 2.79Å; E266-R275 PolarHBondContact OE2-NE 2.97Å; E266-R275 IonicContact OE2-NH2 2.67Å; E266-R275 PolarHBondContact OE2-NH2 2.88Å |
| 267 | L | 76 | Confident | 82.8 | Confident | 107 Ų | 107 | 68.5 Ų | 68.5 | 56% | 0.56 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.8 | -177.2 | 175.7 | 57.5 | 0 | 0 | 0 | 110.5 | W251 | W251-L267 HydrophobicContact CG-CD1 4.44Å |
| 268 | T | 70 | Confident | 83.4 | Confident | 49 Ų | 49 | 68 Ų | 68 | 30% | 0.301 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 160.6 | 175.2 | -52.4 | 0 | 0 | 0 | 0 | 109.7 | S270 Y271 | T268-S270 PolarHBondContact O-N 3.36Å; T268-Y271 HydrophobicContact CG2-CD1 4.33Å; T268-Y271 HydrophobicContact CG2-CE1 3.88Å; T268-Y271 PolarHBondContact N-O 3.42Å; T268-Y271 PolarHBondContact O-N 2.82Å; T268-Y271 VanDerWaalsContact O-O 3.14Å; T268-Y271 WeakPolarHBondContact OG1-CE2 3.32Å; T268-Y271 VanDerWaalsContact OG1-CZ 3.24Å; T268-Y271 PolarHBondContact OG1-OH 2.78Å |
| 269 | E | 67.9 | Low | 83.8 | Confident | 160 Ų | 160 | 65.5 Ų | 65.5 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -11.2 | 179.6 | -59.5 | -175 | 149.9 | 0 | 0 | 115.4 | ||
| 270 | S | 72.7 | Confident | 84.1 | Confident | 36 Ų | 36 | 63 Ų | 63 | 25% | 0.252 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | -0.2 | -179.8 | 57.3 | 0 | 0 | 0 | 0 | 115.8 | K240 C241 T268 | K240-S270 WeakPolarHBondContact CA-O 3.43Å; C241-S270 PolarHBondContact N-O 2.91Å; C241-S270 CarbonylContact O-C 3.58Å; C241-S270 VanDerWaalsContact O-CA 3.28Å; C241-S270 WeakPolarHBondContact O-CA 3.45Å; T268-S270 PolarHBondContact O-N 3.36Å |
| 271 | Y | 86 | Confident | 84.4 | Confident | 50 Ų | 50 | 61.3 Ų | 61.3 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 157.2 | 179.1 | 64.3 | -100.4 | 0 | 0 | 0 | 114 | K238 L239 T268 L273 | K238-Y271 HydrophobicContact CD-CD2 4.4Å; K238-Y271 HydrophobicContact CG-CD2 4.37Å; K238-Y271 VanDerWaalsContact NZ-CE1 3.28Å; L239-Y271 CarbonylContact O-C 3.59Å; L239-Y271 WeakPolarHBondContact O-CA 3.2Å; L239-Y271 VanDerWaalsContact O-CB 3.23Å; L239-Y271 WeakPolarHBondContact O-CB 3.37Å; T268-Y271 HydrophobicContact CG2-CD1 4.33Å; T268-Y271 HydrophobicContact CG2-CE1 3.88Å; T268-Y271 PolarHBondContact N-O 3.42Å; T268-Y271 PolarHBondContact O-N 2.82Å; T268-Y271 VanDerWaalsContact O-O 3.14Å; T268-Y271 WeakPolarHBondContact OG1-CE2 3.32Å; T268-Y271 VanDerWaalsContact OG1-CZ 3.24Å; T268-Y271 PolarHBondContact OG1-OH 2.78Å; Y271-L273 HydrophobicContact CD2-CB 4.03Å; Y271-L273 HydrophobicContact CE2-CB 3.96Å |
| 272 | L | 91.3 | Very high | 84.6 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.7 | 163.1 | 172.3 | 64.4 | 0 | 0 | 0 | 108.7 | K238 L239 W251 I260 A265 I274 Y285 | K238-L272 WeakPolarHBondContact CA-O 3.45Å; L239-L272 HydrophobicContact CD1-CD2 4.43Å; L239-L272 PolarHBondContact N-O 2.89Å; L239-L272 PolarHBondContact O-N 2.9Å; W251-L272 HydrophobicContact CB-CD2 4.1Å; W251-L272 HydrophobicContact CD2-CB 3.76Å; W251-L272 HydrophobicContact CD2-CD2 4.02Å; W251-L272 HydrophobicContact CE3-CB 4.28Å; W251-L272 HydrophobicContact CE3-CD2 4.06Å; W251-L272 HydrophobicContact CG-CB 4.01Å; W251-L272 HydrophobicContact CG-CD2 4.08Å; W251-L272 HydrophobicContact CZ2-CB 4.08Å; I260-L272 HydrophobicContact CD1-CD2 3.88Å; I260-L272 HydrophobicContact CG2-CD1 4.46Å; A265-L272 HydrophobicContact CB-CD1 4.19Å; L272-I274 HydrophobicContact CD1-CG1 4.37Å; L272-I274 HydrophobicContact CD2-CD1 4.37Å; L272-I274 HydrophobicContact CG-CG1 4.25Å; L272-Y285 HydrophobicContact CD2-CD1 3.7Å; L272-Y285 HydrophobicContact CD2-CE1 4.02Å |
| 273 | L | 91.7 | Very high | 84.9 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.6 | 176.2 | 172.2 | 69.4 | 0 | 0 | 0 | 108.9 | D236 I237 K238 A265 E266 Y271 R275 | D236-L273 HydrophobicContact CB-CD1 4.09Å; I237-L273 CarbonylContact O-C 3.52Å; I237-L273 VanDerWaalsContact O-CA 3.32Å; I237-L273 WeakPolarHBondContact O-CA 3.4Å; K238-L273 HydrophobicContact CB-CD1 4.13Å; A265-L273 CarbonylContact C-O 3.54Å; A265-L273 VanDerWaalsContact CA-O 3.3Å; A265-L273 WeakPolarHBondContact CA-O 3.22Å; E266-L273 HydrophobicContact CB-CB 4.3Å; E266-L273 PolarHBondContact N-O 2.8Å; E266-L273 PolarHBondContact O-N 2.95Å; Y271-L273 HydrophobicContact CD2-CB 4.03Å; Y271-L273 HydrophobicContact CE2-CB 3.96Å; L273-R275 HydrophobicContact CG-CG 4.42Å |
| 274 | I | 92.2 | Very high | 85.3 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.5 | 174.1 | -50.7 | 174.4 | 0 | 0 | 0 | 108.4 | D236 I237 I260 R264 A265 L272 Y285 | D236-I274 CarbonylContact C-O 3.17Å; D236-I274 WeakPolarHBondContact CA-O 3.11Å; I237-I274 HydrophobicContact CB-CB 4.17Å; I237-I274 HydrophobicContact CD1-CB 4.34Å; I237-I274 PolarHBondContact N-O 2.82Å; I237-I274 PolarHBondContact O-N 2.85Å; I260-I274 HydrophobicContact CG2-CD1 4.28Å; R264-I274 HydrophobicContact CB-CG2 4.23Å; R264-I274 WeakPolarHBondContact O-CA 3.41Å; A265-I274 HydrophobicContact CB-CG1 4.15Å; L272-I274 HydrophobicContact CD1-CG1 4.37Å; L272-I274 HydrophobicContact CD2-CD1 4.37Å; L272-I274 HydrophobicContact CG-CG1 4.25Å; I274-Y285 HydrophobicContact CD1-CE1 3.5Å; I274-Y285 WeakPolarHBondContact CD1-OH 3.31Å |
| 275 | R | 90.8 | Very high | 85.4 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 44% | 0.438 | 26% | 0.257 | S | S | . | . | trans | -88.8 | 144.9 | -173.7 | -61.3 | 172.6 | -179.2 | -93.3 | 7.7 | 111.4 | D236 R264 E266 L273 | D236-R275 VanDerWaalsContact OD1-CA 3.24Å; D236-R275 WeakPolarHBondContact OD1-CA 3.28Å; R264-R275 PolarHBondContact O-N 3.2Å; E266-R275 IonicContact OE2-CZ 3.68Å; E266-R275 IonicContact OE2-NE 2.79Å; E266-R275 PolarHBondContact OE2-NE 2.97Å; E266-R275 IonicContact OE2-NH2 2.67Å; E266-R275 PolarHBondContact OE2-NH2 2.88Å; L273-R275 HydrophobicContact CG-CG 4.42Å | ||
| 276 | N | 88.5 | Confident | 85.6 | Confident | 83 Ų | 83 | 48 Ų | 48 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | S | Bend | trans | 52.2 | 69.9 | 176.6 | 178.8 | 29.5 | 0 | 0 | 0 | 113 | G234 D236 R264 Q278 | G234-N276 WeakPolarHBondContact CA-OD1 3.43Å; D236-N276 PolarHBondContact OD1-N 2.88Å; R264-N276 PolarHBondContact NH1-O 3.2Å; R264-N276 VanDerWaalsContact NH1-O 3.11Å; N276-Q278 PolarHBondContact O-N 2.77Å; N276-Q278 PolarHBondContact O-NE2 3.27Å; N276-Q278 PolarHBondContact OD1-NE2 2.75Å |
| 277 | A | 88.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -54.6 | 130.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V231 K233 G234 R235 I237 D281 V301 | V231-A277 HydrophobicContact CG1-CB 4.18Å; K233-A277 WeakPolarHBondContact CA-O 3.02Å; K233-A277 WeakPolarHBondContact CG-O 3.47Å; G234-A277 PolarHBondContact N-O 3.13Å; R235-A277 WeakPolarHBondContact O-CB 3.38Å; R235-A277 PolarHBondContact O-N 2.63Å; I237-A277 HydrophobicContact CD1-CB 3.58Å; I237-A277 HydrophobicContact CG1-CB 3.9Å; A277-D281 WeakPolarHBondContact CA-OD2 3.32Å; A277-V301 HydrophobicContact CB-CG1 4.13Å; A277-V301 HydrophobicContact CB-CG2 4.13Å | ||
| 278 | Q | 88.3 | Confident | 86.5 | Confident | 48 Ų | 48 | 40.6 Ų | 40.6 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | trans | -113.7 | 162 | 173.7 | -55.8 | -49.3 | -49.8 | 0 | 0 | 110.7 | N276 S280 D281 V301 | N276-Q278 PolarHBondContact O-N 2.77Å; N276-Q278 PolarHBondContact O-NE2 3.27Å; N276-Q278 PolarHBondContact OD1-NE2 2.75Å; Q278-S280 PolarHBondContact O-N 2.85Å; Q278-D281 PolarHBondContact N-OD2 2.65Å; Q278-D281 WeakPolarHBondContact O-CB 3.15Å; Q278-D281 PolarHBondContact O-N 3.46Å; Q278-V301 WeakPolarHBondContact O-CG2 3.03Å | ||
| 279 | I | 84.4 | Confident | 87 | Confident | 74 Ų | 74 | 39.1 Ų | 39.1 | 38% | 0.379 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -58.3 | -34.7 | -177.2 | -59.1 | 169.3 | 0 | 0 | 0 | 111.3 | D281 S282 T303 | I279-D281 VanDerWaalsContact C-N 3.25Å; I279-D281 PolarHBondContact O-N 3.36Å; I279-S282 VanDerWaalsContact O-CB 3.24Å; I279-S282 WeakPolarHBondContact O-CB 3.2Å; I279-S282 PolarHBondContact O-N 2.94Å; I279-S282 PolarHBondContact O-OG 3.21Å; I279-T303 HydrophobicContact CD1-CG2 4.04Å; I279-T303 HydrophobicContact CG1-CG2 4.07Å |
| 280 | S | 86.1 | Confident | 87.1 | Confident | 65 Ų | 65 | 33.7 Ų | 33.7 | 46% | 0.455 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -67.2 | -14.9 | 175.1 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | R253 Q278 S282 | R253-S280 PolarHBondContact NH1-O 3.05Å; R253-S280 PolarHBondContact NH2-O 3.24Å; Q278-S280 PolarHBondContact O-N 2.85Å; S280-S282 PolarHBondContact O-N 2.98Å |
| 281 | D | 89.7 | Confident | 86.7 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -79.1 | -3.4 | 170.4 | -54.2 | -43.5 | 0 | 0 | 0 | 112.2 | I237 R264 A277 Q278 I279 Y285 V301 | I237-D281 HydrophobicContact CD1-CB 3.87Å; R264-D281 IonicContact CZ-OD1 2.7Å; R264-D281 IonicContact CZ-OD2 2.69Å; R264-D281 IonicContact NH1-OD1 2.75Å; R264-D281 PolarHBondContact NH1-OD1 3.23Å; R264-D281 IonicContact NH1-OD2 2.66Å; R264-D281 PolarHBondContact NH1-OD2 2.93Å; R264-D281 IonicContact NH2-OD1 2.66Å; R264-D281 PolarHBondContact NH2-OD1 2.92Å; R264-D281 IonicContact NH2-OD2 3.75Å; A277-D281 WeakPolarHBondContact CA-OD2 3.32Å; Q278-D281 PolarHBondContact N-OD2 2.65Å; Q278-D281 WeakPolarHBondContact O-CB 3.15Å; Q278-D281 PolarHBondContact O-N 3.46Å; I279-D281 VanDerWaalsContact C-N 3.25Å; I279-D281 PolarHBondContact O-N 3.36Å; D281-Y285 WeakPolarHBondContact O-CE2 3.39Å; D281-Y285 PolarHBondContact O-OH 2.98Å; D281-V301 HydrophobicContact CB-CG2 4.25Å |
| 282 | S | 88.1 | Confident | 85.8 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | trans | -71.4 | 134.3 | 172.3 | -48.6 | 0 | 0 | 0 | 0 | 110.3 | R253 I279 S280 V299 V301 | R253-S282 PolarHBondContact NH2-O 2.93Å; I279-S282 VanDerWaalsContact O-CB 3.24Å; I279-S282 WeakPolarHBondContact O-CB 3.2Å; I279-S282 PolarHBondContact O-N 2.94Å; I279-S282 PolarHBondContact O-OG 3.21Å; S280-S282 PolarHBondContact O-N 2.98Å; S282-V299 CarbonylContact C-O 3.6Å; S282-V299 VanDerWaalsContact CA-O 3.27Å; S282-V299 WeakPolarHBondContact CA-O 3.25Å; S282-V301 WeakPolarHBondContact OG-CB 3.47Å; S282-V301 PolarHBondContact OG-N 3.25Å | ||
| 283 | G | 88.3 | Confident | 84.9 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.4 | -172.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E257 V299 | E257-G283 WeakPolarHBondContact OE2-CA 3.49Å; G283-V299 PolarHBondContact N-O 2.97Å; G283-V299 PolarHBondContact O-N 3.27Å |
| 284 | T | 91.1 | Very high | 84.6 | Confident | 39 Ų | 39 | 42 Ų | 42 | 24% | 0.239 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 142.9 | -175.7 | -30.2 | 0 | 0 | 0 | 0 | 110.4 | R253 G254 E257 I286 D296 A297 | R253-T284 CarbonylContact C-O 3.55Å; R253-T284 WeakPolarHBondContact CA-O 3.05Å; G254-T284 PolarHBondContact N-O 3.05Å; E257-T284 VanDerWaalsContact CD-N 3.32Å; E257-T284 WeakPolarHBondContact OE1-CB 3.38Å; E257-T284 PolarHBondContact OE1-N 3.29Å; E257-T284 PolarHBondContact OE1-OG1 3.48Å; E257-T284 PolarHBondContact OE2-N 3.5Å; E257-T284 VanDerWaalsContact OE2-N 3.14Å; T284-I286 HydrophobicContact CG2-CG1 4.44Å; T284-D296 HydrophobicContact CG2-CB 4.16Å; T284-A297 CarbonylContact C-O 3.51Å; T284-A297 WeakPolarHBondContact CA-O 3.1Å |
| 285 | Y | 92 | Very high | 84.3 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 120.2 | 176.7 | -75.2 | -101.2 | 0 | 0 | 0 | 109.3 | L239 R253 I260 L272 I274 D281 D296 A297 V299 | L239-Y285 HydrophobicContact CD1-CD1 3.86Å; L239-Y285 HydrophobicContact CD1-CD2 4.07Å; L239-Y285 HydrophobicContact CD1-CG 3.51Å; R253-Y285 HydrophobicContact CG-CD1 3.72Å; R253-Y285 HydrophobicContact CG-CD2 4.39Å; R253-Y285 HydrophobicContact CG-CE1 3.45Å; R253-Y285 VanDerWaalsContact CG-CE1 3.45Å; R253-Y285 HydrophobicContact CG-CE2 4.16Å; R253-Y285 HydrophobicContact CG-CG 4.2Å; I260-Y285 HydrophobicContact CD1-CD1 4.33Å; I260-Y285 HydrophobicContact CD1-CE1 4.29Å; I260-Y285 HydrophobicContact CG1-CE1 4.04Å; L272-Y285 HydrophobicContact CD2-CD1 3.7Å; L272-Y285 HydrophobicContact CD2-CE1 4.02Å; I274-Y285 HydrophobicContact CD1-CE1 3.5Å; I274-Y285 WeakPolarHBondContact CD1-OH 3.31Å; D281-Y285 WeakPolarHBondContact O-CE2 3.39Å; D281-Y285 PolarHBondContact O-OH 2.98Å; Y285-D296 CarbonylContact O-C 3.54Å; Y285-D296 WeakPolarHBondContact O-CA 3.39Å; Y285-A297 PolarHBondContact N-O 2.83Å; Y285-A297 PolarHBondContact O-N 2.92Å; Y285-V299 HydrophobicContact CD2-CB 4.02Å; Y285-V299 HydrophobicContact CD2-CG2 3.45Å; Y285-V299 VanDerWaalsContact CD2-CG2 3.45Å; Y285-V299 HydrophobicContact CE2-CB 3.81Å; Y285-V299 HydrophobicContact CE2-CG2 3.57Å; Y285-V299 HydrophobicContact CG-CG2 4.31Å |
| 286 | I | 90.6 | Very high | 84.3 | Confident | 20 Ų | 20 | 42.1 Ų | 42.1 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 116.7 | -171.6 | -45.6 | 171.9 | 0 | 0 | 0 | 108.8 | W251 K252 T284 T288 E294 A295 D296 | W251-I286 WeakPolarHBondContact CA-O 3.38Å; K252-I286 HydrophobicContact CD-CB 4.35Å; K252-I286 VanDerWaalsContact CE-CG2 3.44Å; K252-I286 HydrophobicContact CG-CB 3.77Å; K252-I286 HydrophobicContact CG-CD1 4.42Å; K252-I286 HydrophobicContact CG-CG1 4.46Å; K252-I286 PolarHBondContact N-O 3.26Å; K252-I286 PolarHBondContact O-N 2.96Å; T284-I286 HydrophobicContact CG2-CG1 4.44Å; I286-T288 HydrophobicContact CG2-CG2 4.12Å; I286-E294 HydrophobicContact CG2-CB 4.09Å; I286-A295 CarbonylContact C-O 3.56Å; I286-D296 HydrophobicContact CB-CB 4.39Å; I286-D296 HydrophobicContact CG1-CB 3.91Å; I286-D296 HydrophobicContact CG2-CB 4.34Å |
| 287 | C | 89.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139.3 | 166.4 | -178 | 0 | 0 | 0 | 0 | 110 | P226 C241 W251 E294 A295 | P226-C287 HydrophobicContact CG-CB 4.32Å; C241-C287 HydrophobicContact CB-CB 3.66Å; C241-C287 WeakPolarHBondContact CB-SG 3.45Å; C241-C287 WeakPolarHBondContact SG-CB 3.48Å; C241-C287 CovalentContact SG-SG 2.03Å; C241-C287 PolarHBondContact SG-SG 2.58Å; W251-C287 HydrophobicContact CD2-CB 4.34Å; W251-C287 HydrophobicContact CE3-CB 4.16Å; W251-C287 HydrophobicContact CH2-CB 4.22Å; W251-C287 HydrophobicContact CZ2-CB 4.4Å; W251-C287 HydrophobicContact CZ3-CB 4.09Å; C287-E294 CarbonylContact O-C 3.57Å; C287-E294 VanDerWaalsContact O-CA 3.27Å; C287-E294 WeakPolarHBondContact O-CA 3.46Å; C287-A295 PolarHBondContact N-O 2.92Å; C287-A295 PolarHBondContact O-N 3.27Å |
| 288 | T | 87.8 | Confident | 84.5 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143.2 | -177.7 | 64.7 | 0 | 0 | 0 | 0 | 109.9 | K250 K252 I286 E294 | K250-T288 WeakPolarHBondContact CB-OG1 3.07Å; K250-T288 PolarHBondContact N-O 3.45Å; K250-T288 PolarHBondContact O-N 3.43Å; K250-T288 PolarHBondContact O-OG1 3.28Å; K252-T288 HydrophobicContact CD-CG2 4.05Å; K252-T288 HydrophobicContact CG-CG2 4.46Å; I286-T288 HydrophobicContact CG2-CG2 4.12Å; T288-E294 HydrophobicContact CG2-CB 4.25Å; T288-E294 HydrophobicContact CG2-CG 3.77Å; T288-E294 WeakPolarHBondContact CG2-OE1 3.4Å |
| 289 | A | 80.7 | Confident | 84.6 | Confident | 18 Ų | 18 | 38.6 Ų | 38.6 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | trans | -140.1 | 175.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V243 G292 I293 | V243-A289 HydrophobicContact CG1-CB 4.24Å; V243-A289 HydrophobicContact CG2-CB 3.67Å; A289-G292 PolarHBondContact O-N 2.89Å; A289-I293 HydrophobicContact CB-CD1 4.27Å; A289-I293 HydrophobicContact CB-CG1 3.88Å; A289-I293 PolarHBondContact N-O 3.08Å | ||
| 290 | A | 70.4 | Confident | 84.8 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 142.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | H247 | H247-A290 HydrophobicContact CB-CB 4.24Š|
| 291 | G | 63.7 | Low | 85 | Confident | 75 Ų | 75 | 34.7 Ų | 34.7 | 77% | 0.773 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -6.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 292 | G | 67.1 | Low | 84.7 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 67% | 0.67 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 80.4 | 16.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A289 | A289-G292 PolarHBondContact O-N 2.89Š|
| 293 | I | 73.7 | Confident | 84.6 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 21% | 0.205 | 23% | 0.233 | C | C | . | . | trans | -75.2 | 136 | 169.6 | 63.2 | 178.1 | 0 | 0 | 0 | 109.9 | T220 F222 V243 A289 | T220-I293 HydrophobicContact CG2-CD1 4.12Å; F222-I293 HydrophobicContact CD1-CD1 4.27Å; F222-I293 HydrophobicContact CD2-CD1 4.13Å; F222-I293 HydrophobicContact CE1-CD1 4.08Å; F222-I293 HydrophobicContact CE1-CG1 4.23Å; F222-I293 HydrophobicContact CE2-CB 3.82Å; F222-I293 HydrophobicContact CE2-CD1 3.94Å; F222-I293 HydrophobicContact CE2-CG1 3.94Å; F222-I293 HydrophobicContact CG-CD1 4.29Å; F222-I293 HydrophobicContact CZ-CB 3.99Å; F222-I293 HydrophobicContact CZ-CD1 3.91Å; F222-I293 HydrophobicContact CZ-CG1 3.72Å; V243-I293 HydrophobicContact CG1-CD1 4.1Å; A289-I293 HydrophobicContact CB-CD1 4.27Å; A289-I293 HydrophobicContact CB-CG1 3.88Å; A289-I293 PolarHBondContact N-O 3.08Å | ||
| 294 | E | 85.5 | Confident | 84.3 | Confident | 107 Ų | 107 | 37 Ų | 37 | 50% | 0.5 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 149.3 | 175.1 | -51.6 | -157.3 | 146.7 | 0 | 0 | 109.2 | K252 I286 C287 T288 | K252-E294 IonicContact NZ-OE1 2.62Å; K252-E294 PolarHBondContact NZ-OE1 2.93Å; K252-E294 IonicContact NZ-OE2 3.38Å; K252-E294 PolarHBondContact NZ-OE2 3.17Å; I286-E294 HydrophobicContact CG2-CB 4.09Å; C287-E294 CarbonylContact O-C 3.57Å; C287-E294 VanDerWaalsContact O-CA 3.27Å; C287-E294 WeakPolarHBondContact O-CA 3.46Å; T288-E294 HydrophobicContact CG2-CB 4.25Å; T288-E294 HydrophobicContact CG2-CG 3.77Å; T288-E294 WeakPolarHBondContact CG2-OE1 3.4Å |
| 295 | A | 85.6 | Confident | 84.1 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 138.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | F222 T225 P226 I286 C287 | F222-A295 HydrophobicContact CD2-CB 4.18Å; F222-A295 HydrophobicContact CE1-CB 4.25Å; F222-A295 HydrophobicContact CE2-CB 3.62Å; F222-A295 HydrophobicContact CZ-CB 3.67Å; T225-A295 HydrophobicContact CG2-CB 4.07Å; P226-A295 HydrophobicContact CG-CB 4.22Å; P226-A295 WeakPolarHBondContact CG-O 3.29Å; I286-A295 CarbonylContact C-O 3.56Å; C287-A295 PolarHBondContact N-O 2.92Å; C287-A295 PolarHBondContact O-N 3.27Å |
| 296 | D | 89.7 | Confident | 83.8 | Confident | 107 Ų | 107 | 38 Ų | 38 | 57% | 0.572 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 161.9 | -169.2 | 59.5 | -44.7 | 0 | 0 | 0 | 113.8 | T284 Y285 I286 | T284-D296 HydrophobicContact CG2-CB 4.16Å; Y285-D296 CarbonylContact O-C 3.54Å; Y285-D296 WeakPolarHBondContact O-CA 3.39Å; I286-D296 HydrophobicContact CB-CB 4.39Å; I286-D296 HydrophobicContact CG1-CB 3.91Å; I286-D296 HydrophobicContact CG2-CB 4.34Å |
| 297 | A | 90 | Very high | 83.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 148.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P226 V227 D228 L239 T284 Y285 | P226-A297 HydrophobicContact CB-CB 3.71Å; P226-A297 HydrophobicContact CG-CB 4.31Å; V227-A297 VanDerWaalsContact C-CB 3.43Å; D228-A297 WeakPolarHBondContact OD1-CA 3.41Å; L239-A297 HydrophobicContact CD2-CB 4.24Å; T284-A297 CarbonylContact C-O 3.51Å; T284-A297 WeakPolarHBondContact CA-O 3.1Å; Y285-A297 PolarHBondContact N-O 2.83Å; Y285-A297 PolarHBondContact O-N 2.92Å |
| 298 | T | 91.8 | Very high | 83.6 | Confident | 56 Ų | 56 | 43.1 Ų | 43.1 | 34% | 0.344 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.3 | 178.9 | -47.9 | 0 | 0 | 0 | 0 | 111.1 | D228 I229 | D228-T298 WeakPolarHBondContact CA-O 3.43Å; D228-T298 PolarHBondContact OD1-N 3.44Å; I229-T298 PolarHBondContact N-O 2.83Å |
| 299 | V | 90.8 | Very high | 83.7 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.8 | 167 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | I229 I237 L239 S282 G283 Y285 V301 | I229-V299 HydrophobicContact CD1-CG2 4.28Å; I229-V299 HydrophobicContact CG1-CG2 3.99Å; I229-V299 WeakPolarHBondContact O-CA 3.02Å; I237-V299 HydrophobicContact CD1-CG1 3.92Å; I237-V299 HydrophobicContact CG1-CG1 4.21Å; I237-V299 HydrophobicContact CG2-CG1 4.2Å; I237-V299 HydrophobicContact CG2-CG2 4Å; L239-V299 HydrophobicContact CD1-CG2 3.92Å; L239-V299 HydrophobicContact CD2-CG2 4.22Å; L239-V299 HydrophobicContact CG-CG2 4.37Å; S282-V299 CarbonylContact C-O 3.6Å; S282-V299 VanDerWaalsContact CA-O 3.27Å; S282-V299 WeakPolarHBondContact CA-O 3.25Å; G283-V299 PolarHBondContact N-O 2.97Å; G283-V299 PolarHBondContact O-N 3.27Å; Y285-V299 HydrophobicContact CD2-CB 4.02Å; Y285-V299 HydrophobicContact CD2-CG2 3.45Å; Y285-V299 VanDerWaalsContact CD2-CG2 3.45Å; Y285-V299 HydrophobicContact CE2-CB 3.81Å; Y285-V299 HydrophobicContact CE2-CG2 3.57Å; Y285-V299 HydrophobicContact CG-CG2 4.31Å; V299-V301 HydrophobicContact CG1-CG2 4.21Å |
| 300 | T | 89.3 | Confident | 84.2 | Confident | 54 Ų | 54 | 47 Ų | 47 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123 | 171.5 | -56.9 | 0 | 0 | 0 | 0 | 109.5 | I229 R230 V231 | I229-T300 PolarHBondContact O-N 3.17Å; R230-T300 WeakPolarHBondContact CA-O 3.36Å; V231-T300 PolarHBondContact N-O 3.36Å |
| 301 | V | 88.5 | Confident | 85.2 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 102.5 | 179.1 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | V231 K233 I237 A277 Q278 D281 S282 V299 | V231-V301 CarbonylContact O-C 3.59Å; V231-V301 VanDerWaalsContact O-CA 3.27Å; V231-V301 WeakPolarHBondContact O-CA 3.32Å; K233-V301 HydrophobicContact CB-CG1 4.09Å; I237-V301 HydrophobicContact CD1-CG2 4.39Å; A277-V301 HydrophobicContact CB-CG1 4.13Å; A277-V301 HydrophobicContact CB-CG2 4.13Å; Q278-V301 WeakPolarHBondContact O-CG2 3.03Å; D281-V301 HydrophobicContact CB-CG2 4.25Å; S282-V301 WeakPolarHBondContact OG-CB 3.47Å; S282-V301 PolarHBondContact OG-N 3.25Å; V299-V301 HydrophobicContact CG1-CG2 4.21Å |
| 302 | D | 85.3 | Confident | 86.3 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 137.4 | -175.2 | -80.5 | -25.4 | 0 | 0 | 0 | 111.9 | R230 V231 K232 K233 H331 I390 | R230-D302 IonicContact CZ-OD1 2.63Å; R230-D302 IonicContact CZ-OD2 2.69Å; R230-D302 IonicContact NE-OD1 3.67Å; R230-D302 PolarHBondContact NE-OD1 2.89Å; R230-D302 IonicContact NE-OD2 3.4Å; R230-D302 PolarHBondContact NE-OD2 3.08Å; R230-D302 VanDerWaalsContact NE-OD2 3.11Å; R230-D302 IonicContact NH2-OD1 2.88Å; R230-D302 PolarHBondContact NH2-OD1 3.23Å; R230-D302 IonicContact NH2-OD2 3.46Å; V231-D302 PolarHBondContact O-N 3.32Å; K232-D302 WeakPolarHBondContact CA-O 3.38Å; K232-D302 HydrophobicContact CG-CB 4.48Å; K233-D302 PolarHBondContact N-O 2.84Å; D302-H331 CarbonylContact C-O 3.56Å; D302-H331 WeakPolarHBondContact CA-O 3.34Å; D302-I390 HydrophobicContact CB-CD1 3.62Å; D302-I390 HydrophobicContact CB-CG1 4.38Å |
| 303 | T | 84.8 | Confident | 87.4 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.8 | 171.4 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | K233 I279 H331 I390 | K233-T303 HydrophobicContact CB-CG2 4.07Å; K233-T303 HydrophobicContact CD-CG2 4.23Å; I279-T303 HydrophobicContact CD1-CG2 4.04Å; I279-T303 HydrophobicContact CG1-CG2 4.07Å; T303-H331 PolarHBondContact N-O 2.93Å; T303-H331 PolarHBondContact O-N 3.21Å; T303-H331 PolarHBondContact OG1-N 2.8Å; T303-I390 VanDerWaalsContact O-CD1 3.23Å; T303-I390 WeakPolarHBondContact O-CD1 3.48Å |
| 304 | P | 82.8 | Confident | 88 | Confident | 74 Ų | 74 | 46.9 Ų | 46.9 | 48% | 0.481 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 156.3 | 178.8 | 30.2 | -36.1 | 0 | 0 | 0 | 111.1 | I390 | P304-I390 HydrophobicContact CB-CG2 4.19Å |
| 305 | P | 85.9 | Confident | 88.2 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 144 | 173.5 | 29.9 | -34.3 | 0 | 0 | 0 | 110.6 | A329 P334 D391 I393 | P305-A329 CarbonylContact C-O 3.38Å; P305-A329 WeakPolarHBondContact CA-O 3.33Å; P305-P334 HydrophobicContact CB-CB 3.99Å; P305-P334 HydrophobicContact CB-CG 4.15Å; P305-D391 HydrophobicContact CG-CB 4.2Å; P305-I393 HydrophobicContact CB-CD1 4.13Å; P305-I393 HydrophobicContact CB-CG1 4.23Å; P305-I393 HydrophobicContact CG-CG1 4.3Å; P305-I393 HydrophobicContact CG-CG2 4.4Å |
| 306 | A | 86.7 | Confident | 88.1 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 45% | 0.446 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 136.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S308 A328 A329 | A306-S308 PolarHBondContact O-N 2.83Å; A306-A328 CarbonylContact O-C 3.43Å; A306-A328 VanDerWaalsContact O-CA 3.25Å; A306-A328 WeakPolarHBondContact O-CA 3.04Å; A306-A329 PolarHBondContact N-O 3.38Å; A306-A329 PolarHBondContact O-N 2.74Å |
| 307 | F | 88.9 | Confident | 87.7 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 21% | 0.211 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 125.8 | 173.6 | -66.8 | -67 | 0 | 0 | 0 | 109.9 | T310 C326 I327 A328 A386 I393 T395 | F307-T310 HydrophobicContact CB-CG2 3.65Å; F307-T310 HydrophobicContact CD2-CG2 4.1Å; F307-T310 HydrophobicContact CG-CG2 3.95Å; F307-C326 VanDerWaalsContact CE1-SG 3.57Å; F307-I327 CarbonylContact C-O 3.55Å; F307-I327 WeakPolarHBondContact CA-O 3.25Å; F307-A328 HydrophobicContact CD1-CB 3.98Å; F307-A328 HydrophobicContact CE1-CB 4.42Å; F307-A386 HydrophobicContact CD1-CB 4.33Å; F307-A386 HydrophobicContact CE1-CB 3.62Å; F307-A386 HydrophobicContact CZ-CB 4.05Å; F307-I393 HydrophobicContact CD1-CD1 4.35Å; F307-I393 HydrophobicContact CD2-CD1 3.56Å; F307-I393 HydrophobicContact CD2-CG1 4.13Å; F307-I393 HydrophobicContact CE1-CD1 4.36Å; F307-I393 HydrophobicContact CE1-CG1 4.39Å; F307-I393 HydrophobicContact CE2-CB 3.91Å; F307-I393 HydrophobicContact CE2-CD1 3.58Å; F307-I393 HydrophobicContact CE2-CG1 3.59Å; F307-I393 HydrophobicContact CG-CD1 3.95Å; F307-I393 HydrophobicContact CZ-CB 4.36Å; F307-I393 HydrophobicContact CZ-CD1 3.99Å; F307-I393 HydrophobicContact CZ-CG1 3.73Å; F307-I393 WeakPolarHBondContact CZ-O 3.48Å; F307-T395 HydrophobicContact CD1-CG2 4.08Å; F307-T395 HydrophobicContact CD2-CG2 3.99Å; F307-T395 HydrophobicContact CE1-CG2 3.69Å; F307-T395 HydrophobicContact CE2-CG2 3.59Å; F307-T395 HydrophobicContact CG-CG2 4.24Å; F307-T395 HydrophobicContact CZ-CG2 3.44Å; F307-T395 VanDerWaalsContact CZ-CG2 3.44Å |
| 308 | S | 86.7 | Confident | 87.4 | Confident | 79 Ų | 79 | 42.1 Ų | 42.1 | 55% | 0.552 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -28.8 | 168.7 | -53.4 | 0 | 0 | 0 | 0 | 111 | A306 I327 | A306-S308 PolarHBondContact O-N 2.83Å; S308-I327 PolarHBondContact N-O 3.44Å |
| 309 | V | 89.9 | Confident | 86.9 | Confident | 57 Ų | 57 | 41.8 Ų | 41.8 | 35% | 0.345 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.3 | 167.9 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | H325 C326 I327 | V309-H325 HydrophobicContact CG1-CB 4.03Å; V309-C326 WeakPolarHBondContact O-CA 3.06Å; V309-I327 HydrophobicContact CB-CB 3.98Å; V309-I327 HydrophobicContact CB-CD1 4.44Å; V309-I327 HydrophobicContact CB-CG1 4.15Å; V309-I327 HydrophobicContact CG2-CB 4.14Å; V309-I327 HydrophobicContact CG2-CD1 4.01Å; V309-I327 HydrophobicContact CG2-CG1 4.24Å; V309-I327 PolarHBondContact N-O 2.81Å; V309-I327 PolarHBondContact O-N 2.86Å; V309-I327 VanDerWaalsContact O-O 3.12Å |
| 310 | T | 90.3 | Very high | 86.7 | Confident | 64 Ų | 64 | 44.7 Ų | 44.7 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | trans | -96.9 | 150.2 | 167.8 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | F307 H325 T395 | F307-T310 HydrophobicContact CB-CG2 3.65Å; F307-T310 HydrophobicContact CD2-CG2 4.1Å; F307-T310 HydrophobicContact CG-CG2 3.95Å; T310-H325 CarbonylContact C-O 3.57Å; T310-T395 HydrophobicContact CG2-CG2 4.21Å | ||
| 311 | P | 91.6 | Very high | 86.6 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | trans | -74.1 | 148.1 | 175 | 33.1 | -35.4 | 0 | 0 | 0 | 111.2 | F324 H325 W338 C384 T395 A397 | P311-F324 HydrophobicContact CB-CB 4.12Å; P311-F324 HydrophobicContact CB-CD1 4.25Å; P311-H325 WeakPolarHBondContact CA-O 3.27Å; P311-H325 WeakPolarHBondContact CB-O 3.2Å; P311-W338 HydrophobicContact CB-CH2 3.59Å; P311-W338 HydrophobicContact CB-CZ2 4.25Å; P311-W338 HydrophobicContact CG-CH2 3.66Å; P311-W338 HydrophobicContact CG-CZ2 4.42Å; P311-W338 HydrophobicContact CG-CZ3 4.41Å; P311-C384 HydrophobicContact CG-CB 4.31Å; P311-T395 HydrophobicContact CG-CG2 3.97Å; P311-A397 HydrophobicContact CB-CB 3.91Å; P311-A397 HydrophobicContact CG-CB 4.1Å | ||
| 312 | D | 88.3 | Confident | 86.7 | Confident | 67 Ų | 67 | 45.2 Ų | 45.2 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | trans | -104.5 | 152.6 | 177.1 | -60.5 | -43.6 | 0 | 0 | 0 | 110.8 | L314 F324 A397 K584 | D312-L314 PolarHBondContact O-N 2.61Å; D312-F324 WeakPolarHBondContact O-CD1 3.33Å; D312-F324 WeakPolarHBondContact O-CE1 3.29Å; D312-A397 VanDerWaalsContact C-CB 3.49Å; D312-A397 VanDerWaalsContact O-CB 3.26Å; D312-A397 WeakPolarHBondContact O-CB 3.33Å; D312-K584 WeakPolarHBondContact OD1-CD 3.08Å; D312-K584 WeakPolarHBondContact OD1-CE 3.12Å; D312-K584 IonicContact OD1-NZ 2.76Å; D312-K584 PolarHBondContact OD1-NZ 2.96Å; D312-K584 WeakPolarHBondContact OD2-CE 3.43Å; D312-K584 IonicContact OD2-NZ 2.68Å; D312-K584 PolarHBondContact OD2-NZ 2.92Å | ||
| 313 | D | 89.7 | Confident | 87 | Confident | 104 Ų | 104 | 47.4 Ų | 47.4 | 56% | 0.556 | 29% | 0.29 | S | S | * | . | trans | -58.5 | 133.1 | 172.1 | -65.6 | -51.8 | 0 | 0 | 0 | 110.5 | T398 | D313-T398 WeakPolarHBondContact OD1-CA 3.22Å; D313-T398 WeakPolarHBondContact OD1-CB 3.38Å; D313-T398 PolarHBondContact OD1-N 2.85Å; D313-T398 PolarHBondContact OD1-OG1 3.48Å | ||
| 314 | L | 86.9 | Confident | 87.3 | Confident | 44 Ų | 44 | 46.5 Ų | 46.5 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.5 | -178.3 | -65.9 | -178.8 | 0 | 0 | 0 | 110.3 | D312 V316 A322 F324 T398 L399 H400 | D312-L314 PolarHBondContact O-N 2.61Å; L314-V316 HydrophobicContact CB-CG2 4.25Å; L314-A322 HydrophobicContact CD1-CB 4.04Å; L314-F324 HydrophobicContact CB-CE1 3.89Å; L314-F324 HydrophobicContact CB-CZ 4.18Å; L314-F324 HydrophobicContact CD1-CD1 3.58Å; L314-F324 HydrophobicContact CD1-CD2 4.27Å; L314-F324 HydrophobicContact CD1-CE1 3.62Å; L314-F324 HydrophobicContact CD1-CE2 4.32Å; L314-F324 HydrophobicContact CD1-CG 3.93Å; L314-F324 HydrophobicContact CD1-CZ 4.01Å; L314-F324 HydrophobicContact CG-CD1 3.81Å; L314-F324 HydrophobicContact CG-CE1 3.56Å; L314-F324 HydrophobicContact CG-CZ 4.21Å; L314-T398 PolarHBondContact N-O 3.09Å; L314-T398 VanDerWaalsContact O-O 3.09Å; L314-L399 HydrophobicContact CB-CD1 3.99Å; L314-L399 CarbonylContact O-C 3.25Å; L314-L399 WeakPolarHBondContact O-CA 3.37Å; L314-H400 PolarHBondContact O-N 2.96Å |
| 315 | T | 87.9 | Confident | 87.7 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.8 | 163.7 | -48 | 0 | 0 | 0 | 0 | 107.7 | H400 I402 P466 | T315-H400 CarbonylContact C-O 3.5Å; T315-H400 VanDerWaalsContact CA-O 3.26Å; T315-H400 WeakPolarHBondContact CA-O 3.47Å; T315-H400 HydrophobicContact CG2-CB 3.8Å; T315-H400 WeakPolarHBondContact CG2-O 3.37Å; T315-I402 HydrophobicContact CG2-CD1 3.87Å; T315-I402 HydrophobicContact CG2-CG1 3.92Å; T315-P466 HydrophobicContact CG2-CG 3.57Å; T315-P466 WeakPolarHBondContact O-CB 3.35Å; T315-P466 WeakPolarHBondContact O-CG 3.46Å |
| 316 | V | 84.4 | Confident | 87.9 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146.1 | -169.6 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | L314 E320 A322 V374 L399 H400 V401 I402 | L314-V316 HydrophobicContact CB-CG2 4.25Å; V316-E320 HydrophobicContact CG1-CB 3.59Å; V316-A322 HydrophobicContact CG2-CB 3.86Å; V316-V374 HydrophobicContact CG1-CB 4.29Å; V316-V374 HydrophobicContact CG1-CG1 4.32Å; V316-V374 HydrophobicContact CG1-CG2 4.22Å; V316-L399 HydrophobicContact CB-CD1 4.07Å; V316-L399 HydrophobicContact CG2-CD1 3.88Å; V316-H400 PolarHBondContact N-O 3.44Å; V316-V401 VanDerWaalsContact O-CA 3.31Å; V316-V401 WeakPolarHBondContact O-CA 3.32Å; V316-I402 PolarHBondContact O-N 3.43Å; V316-I402 VanDerWaalsContact O-N 3.12Å |
| 317 | N | 80.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 153 | -177.7 | -70.2 | -15.2 | 0 | 0 | 0 | 112.4 | G319 E320 I402 L404 P466 G467 L469 | N317-G319 PolarHBondContact O-N 3.1Å; N317-E320 HydrophobicContact CB-CG 4.44Å; N317-E320 PolarHBondContact N-OE2 3.14Å; N317-E320 WeakPolarHBondContact O-CB 3.39Å; N317-E320 PolarHBondContact O-N 2.81Å; N317-I402 VanDerWaalsContact OD1-CB 3.28Å; N317-I402 WeakPolarHBondContact OD1-CB 3.3Å; N317-I402 WeakPolarHBondContact OD1-CD1 3.41Å; N317-I402 WeakPolarHBondContact OD1-CG1 3.37Å; N317-L404 HydrophobicContact CB-CD1 4.2Å; N317-P466 PolarHBondContact ND2-O 3.31Å; N317-G467 PolarHBondContact ND2-O 2.86Å; N317-L469 WeakPolarHBondContact ND2-CB 3.34Å; N317-L469 PolarHBondContact ND2-N 3.04Å; N317-L469 VanDerWaalsContact ND2-N 3.15Å |
| 318 | E | 84.4 | Confident | 88 | Confident | 51 Ų | 51 | 46.2 Ų | 46.2 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 121 | -177.5 | -177.1 | 153.6 | -119.9 | 0 | 0 | 111.5 | V374 R375 Q376 V401 I402 N403 | E318-V374 CarbonylContact C-O 3.58Å; E318-V374 VanDerWaalsContact CA-O 3.29Å; E318-V374 WeakPolarHBondContact CA-O 3.41Å; E318-R375 WeakPolarHBondContact OE1-CA 3.37Å; E318-R375 WeakPolarHBondContact OE1-CB 3.39Å; E318-Q376 PolarHBondContact OE1-N 3.32Å; E318-V401 HydrophobicContact CB-CG1 4.18Å; E318-I402 PolarHBondContact N-O 2.9Å; E318-N403 PolarHBondContact OE2-ND2 3.08Å |
| 319 | G | 81.6 | Confident | 87.9 | Confident | 49 Ų | 49 | 44.7 Ų | 44.7 | 51% | 0.505 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.9 | -13.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N317 V374 | N317-G319 PolarHBondContact O-N 3.1Å; G319-V374 PolarHBondContact N-O 3.42Å |
| 320 | E | 86.7 | Confident | 87.6 | Confident | 62 Ų | 62 | 42.3 Ų | 42.3 | 29% | 0.29 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -83.8 | -175.3 | 178.2 | -65.1 | -172.2 | 131.6 | 0 | 0 | 113 | V316 N317 D373 V374 G467 S468 | V316-E320 HydrophobicContact CG1-CB 3.59Å; N317-E320 HydrophobicContact CB-CG 4.44Å; N317-E320 PolarHBondContact N-OE2 3.14Å; N317-E320 WeakPolarHBondContact O-CB 3.39Å; N317-E320 PolarHBondContact O-N 2.81Å; E320-D373 PolarHBondContact O-N 3.38Å; E320-V374 WeakPolarHBondContact O-CB 3.41Å; E320-V374 WeakPolarHBondContact O-CG2 3.44Å; E320-V374 PolarHBondContact O-N 3.37Å; E320-G467 VanDerWaalsContact CD-O 3.31Å; E320-G467 VanDerWaalsContact OE1-O 3.07Å; E320-S468 WeakPolarHBondContact OE1-CB 3.17Å |
| 321 | T | 87.2 | Confident | 87.1 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 41% | 0.405 | 25% | 0.253 | S | S | . | . | trans | -116.1 | 127.5 | 176.1 | -64.3 | 0 | 0 | 0 | 0 | 110.5 | V323 E370 V371 R372 | T321-V323 HydrophobicContact CG2-CG2 4.23Å; T321-E370 HydrophobicContact CG2-CG 3.42Å; T321-E370 VanDerWaalsContact CG2-CG 3.42Å; T321-V371 CarbonylContact C-O 3.49Å; T321-V371 WeakPolarHBondContact CA-O 3.44Å; T321-V371 WeakPolarHBondContact CG2-O 3.33Å; T321-R372 HydrophobicContact CG2-CG 4.15Å | ||
| 322 | A | 89.1 | Confident | 86.7 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 144.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L314 V316 E370 V371 V374 L399 | L314-A322 HydrophobicContact CD1-CB 4.04Å; V316-A322 HydrophobicContact CG2-CB 3.86Å; A322-E370 CarbonylContact O-C 3.58Å; A322-E370 WeakPolarHBondContact O-CA 3.36Å; A322-V371 HydrophobicContact CB-CB 4.22Å; A322-V371 PolarHBondContact N-O 2.83Å; A322-V371 PolarHBondContact O-N 3.01Å; A322-V374 HydrophobicContact CB-CG2 4.08Å; A322-L399 HydrophobicContact CB-CD1 3.68Å; A322-L399 HydrophobicContact CB-CD2 4.27Å |
| 323 | V | 91.3 | Very high | 86.3 | Confident | 60 Ų | 60 | 49.3 Ų | 49.3 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 97.7 | 179.8 | -172 | 0 | 0 | 0 | 0 | 111.5 | T321 H325 L369 E370 | T321-V323 HydrophobicContact CG2-CG2 4.23Å; V323-H325 PolarHBondContact O-ND1 3.33Å; V323-L369 CarbonylContact C-O 3.17Å; V323-L369 WeakPolarHBondContact CA-O 3.45Å; V323-E370 HydrophobicContact CG2-CG 4.27Å |
| 324 | F | 92.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124.3 | 175.4 | -65.8 | -74.2 | 0 | 0 | 0 | 111.1 | P311 D312 L314 W338 S368 L369 Y382 A397 L399 | P311-F324 HydrophobicContact CB-CB 4.12Å; P311-F324 HydrophobicContact CB-CD1 4.25Å; D312-F324 WeakPolarHBondContact O-CD1 3.33Å; D312-F324 WeakPolarHBondContact O-CE1 3.29Å; L314-F324 HydrophobicContact CB-CE1 3.89Å; L314-F324 HydrophobicContact CB-CZ 4.18Å; L314-F324 HydrophobicContact CD1-CD1 3.58Å; L314-F324 HydrophobicContact CD1-CD2 4.27Å; L314-F324 HydrophobicContact CD1-CE1 3.62Å; L314-F324 HydrophobicContact CD1-CE2 4.32Å; L314-F324 HydrophobicContact CD1-CG 3.93Å; L314-F324 HydrophobicContact CD1-CZ 4.01Å; L314-F324 HydrophobicContact CG-CD1 3.81Å; L314-F324 HydrophobicContact CG-CE1 3.56Å; L314-F324 HydrophobicContact CG-CZ 4.21Å; F324-W338 HydrophobicContact CB-CH2 3.35Å; F324-W338 HydrophobicContact CB-CZ2 3.64Å; F324-W338 HydrophobicContact CB-CZ3 4.18Å; F324-W338 AromaticContact CG-CH2 3.97Å; F324-W338 HydrophobicContact CG-CH2 3.97Å; F324-W338 HydrophobicContact CG-CZ3 4.39Å; F324-S368 CarbonylContact O-C 3.58Å; F324-S368 VanDerWaalsContact O-CA 3.23Å; F324-S368 WeakPolarHBondContact O-CA 3.04Å; F324-S368 WeakPolarHBondContact O-CB 3.42Å; F324-L369 HydrophobicContact CB-CB 4.49Å; F324-L369 PolarHBondContact N-O 3.42Å; F324-L369 PolarHBondContact O-N 2.79Å; F324-Y382 HydrophobicContact CD2-CD1 4.24Å; F324-Y382 HydrophobicContact CD2-CG 4.25Å; F324-Y382 AromaticContact CE2-CD1 3.91Å; F324-Y382 HydrophobicContact CE2-CD1 3.91Å; F324-Y382 AromaticContact CE2-CD2 3.67Å; F324-Y382 HydrophobicContact CE2-CD2 3.67Å; F324-Y382 HydrophobicContact CE2-CE1 4.17Å; F324-Y382 HydrophobicContact CE2-CE2 4.01Å; F324-Y382 AromaticContact CE2-CG 3.64Å; F324-Y382 HydrophobicContact CE2-CG 3.64Å; F324-Y382 AromaticContact CZ-CD2 3.92Å; F324-Y382 HydrophobicContact CZ-CD2 3.92Å; F324-Y382 HydrophobicContact CZ-CE2 4.44Å; F324-Y382 HydrophobicContact CZ-CG 4.17Å; F324-A397 HydrophobicContact CD1-CB 3.73Å; F324-A397 HydrophobicContact CE1-CB 3.56Å; F324-L399 HydrophobicContact CE2-CB 4.34Å; F324-L399 HydrophobicContact CZ-CB 3.91Å; F324-L399 HydrophobicContact CZ-CD1 4.35Å |
| 325 | H | 90.9 | Very high | 85.8 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | trans | -91.8 | 130.9 | -179.4 | -67.9 | 67 | 0 | 0 | 0 | 111.1 | V309 T310 P311 V323 | V309-H325 HydrophobicContact CG1-CB 4.03Å; T310-H325 CarbonylContact C-O 3.57Å; P311-H325 WeakPolarHBondContact CA-O 3.27Å; P311-H325 WeakPolarHBondContact CB-O 3.2Å; V323-H325 PolarHBondContact O-ND1 3.33Å | ||
| 326 | C | 90.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -148.2 | 123.8 | 175 | -167.7 | 0 | 0 | 0 | 0 | 110.9 | F307 V309 W338 G367 C384 | F307-C326 VanDerWaalsContact CE1-SG 3.57Å; V309-C326 WeakPolarHBondContact O-CA 3.06Å; C326-W338 HydrophobicContact CB-CZ2 3.69Å; C326-G367 CarbonylContact O-C 3.54Å; C326-G367 VanDerWaalsContact O-C 3.26Å; C326-G367 WeakPolarHBondContact O-CA 3.37Å; C326-C384 HydrophobicContact CB-CB 3.78Å; C326-C384 WeakPolarHBondContact CB-SG 3.34Å; C326-C384 WeakPolarHBondContact SG-CB 3.46Å; C326-C384 CovalentContact SG-SG 2.03Å; C326-C384 PolarHBondContact SG-SG 3.08Å | ||
| 327 | I | 89.8 | Confident | 85.8 | Confident | 67 Ų | 67 | 45 Ų | 45 | 34% | 0.344 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 138.3 | -178.3 | -55 | 179.7 | 0 | 0 | 0 | 108.3 | F307 S308 V309 | F307-I327 CarbonylContact C-O 3.55Å; F307-I327 WeakPolarHBondContact CA-O 3.25Å; S308-I327 PolarHBondContact N-O 3.44Å; V309-I327 HydrophobicContact CB-CB 3.98Å; V309-I327 HydrophobicContact CB-CD1 4.44Å; V309-I327 HydrophobicContact CB-CG1 4.15Å; V309-I327 HydrophobicContact CG2-CB 4.14Å; V309-I327 HydrophobicContact CG2-CD1 4.01Å; V309-I327 HydrophobicContact CG2-CG1 4.24Å; V309-I327 PolarHBondContact N-O 2.81Å; V309-I327 PolarHBondContact O-N 2.86Å; V309-I327 VanDerWaalsContact O-O 3.12Å |
| 328 | A | 86.7 | Confident | 86.2 | Confident | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 139.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A306 F307 P334 I336 A386 | A306-A328 CarbonylContact O-C 3.43Å; A306-A328 VanDerWaalsContact O-CA 3.25Å; A306-A328 WeakPolarHBondContact O-CA 3.04Å; F307-A328 HydrophobicContact CD1-CB 3.98Å; F307-A328 HydrophobicContact CE1-CB 4.42Å; A328-P334 HydrophobicContact CB-CG 3.66Å; A328-P334 WeakPolarHBondContact O-CG 3.46Å; A328-I336 HydrophobicContact CB-CD1 4.18Å; A328-I336 HydrophobicContact CB-CG1 4.4Å; A328-A386 HydrophobicContact CB-CB 3.44Å; A328-A386 VanDerWaalsContact CB-CB 3.44Å |
| 329 | A | 85.6 | Confident | 86.1 | Confident | 46 Ų | 46 | 44.3 Ų | 44.3 | 38% | 0.38 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 156.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P305 A306 | P305-A329 CarbonylContact C-O 3.38Å; P305-A329 WeakPolarHBondContact CA-O 3.33Å; A306-A329 PolarHBondContact N-O 3.38Å; A306-A329 PolarHBondContact O-N 2.74Å |
| 330 | G | 83.2 | Confident | 86.4 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | 167.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P332 L333 | G330-P332 CarbonylContact C-O 3.54Å; G330-P332 VanDerWaalsContact C-O 3.25Å; G330-P332 CarbonylContact O-C 3.48Å; G330-L333 WeakPolarHBondContact O-CA 3.28Å; G330-L333 PolarHBondContact O-N 3.2Å |
| 331 | H | 79.9 | Confident | 86.3 | Confident | 102 Ų | 102 | 41.5 Ų | 41.5 | 47% | 0.472 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 105.2 | 173.3 | -71.5 | -82.8 | 0 | 0 | 0 | 108.9 | D302 T303 I390 | D302-H331 CarbonylContact C-O 3.56Å; D302-H331 WeakPolarHBondContact CA-O 3.34Å; T303-H331 PolarHBondContact N-O 2.93Å; T303-H331 PolarHBondContact O-N 3.21Å; T303-H331 PolarHBondContact OG1-N 2.8Å; H331-I390 WeakPolarHBondContact O-CD1 3.45Å |
| 332 | P | 83.7 | Confident | 85.9 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | S | Bend | cis | -63.6 | 152.2 | 1.4 | -24.4 | 36.9 | 0 | 0 | 0 | 114.5 | R230 G330 I390 | R230-P332 VanDerWaalsContact NH2-CG 3.35Å; G330-P332 CarbonylContact C-O 3.54Å; G330-P332 VanDerWaalsContact C-O 3.25Å; G330-P332 CarbonylContact O-C 3.48Å; P332-I390 VanDerWaalsContact CD-CD1 3.47Å |
| 333 | L | 80 | Confident | 85.1 | Confident | 138 Ų | 138 | 49.6 Ų | 49.6 | 72% | 0.723 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 128.2 | 177.3 | -170.7 | 74.1 | 0 | 0 | 0 | 109.8 | G330 | G330-L333 WeakPolarHBondContact O-CA 3.28Å; G330-L333 PolarHBondContact O-N 3.2Å |
| 334 | P | 81.3 | Confident | 84.2 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.071 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 139.4 | -177.3 | 28.3 | -33 | 0 | 0 | 0 | 112.5 | P305 A328 A386 H387 | P305-P334 HydrophobicContact CB-CB 3.99Å; P305-P334 HydrophobicContact CB-CG 4.15Å; A328-P334 HydrophobicContact CB-CG 3.66Å; A328-P334 WeakPolarHBondContact O-CG 3.46Å; P334-A386 HydrophobicContact CB-CB 4.09Å; P334-A386 HydrophobicContact CG-CB 4.4Å; P334-H387 CarbonylContact C-O 3.39Å; P334-H387 VanDerWaalsContact CA-O 3.24Å; P334-H387 WeakPolarHBondContact CA-O 3.48Å |
| 335 | S | 84.9 | Confident | 83.3 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 44% | 0.441 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 128.3 | 164.6 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | H387 | S335-H387 PolarHBondContact N-O 2.82Å; S335-H387 PolarHBondContact O-N 2.97Å; S335-H387 PolarHBondContact OG-O 2.89Å |
| 336 | I | 84.5 | Confident | 82.4 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 137.2 | 176.4 | -64.1 | 172.4 | 0 | 0 | 0 | 109.5 | A328 P348 C384 T385 A386 | A328-I336 HydrophobicContact CB-CD1 4.18Å; A328-I336 HydrophobicContact CB-CG1 4.4Å; I336-P348 WeakPolarHBondContact O-CD 3.39Å; I336-P348 WeakPolarHBondContact O-CG 3.41Å; I336-C384 VanDerWaalsContact CG2-SG 3.53Å; I336-T385 CarbonylContact C-O 3.55Å; I336-T385 WeakPolarHBondContact CA-O 3.17Å; I336-A386 HydrophobicContact CG1-CB 4.21Å |
| 337 | Y | 88 | Confident | 81.5 | Confident | 47 Ų | 47 | 53.2 Ų | 53.2 | 18% | 0.184 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 162.5 | 170.1 | 74 | -93.2 | 0 | 0 | 0 | 110.5 | I346 F347 T385 H387 | Y337-I346 WeakPolarHBondContact CB-O 3.43Å; Y337-F347 HydrophobicContact CD1-CD1 4.35Å; Y337-F347 AromaticContact CD1-CE1 3.98Å; Y337-F347 HydrophobicContact CD1-CE1 3.98Å; Y337-F347 HydrophobicContact CD2-CD1 4.32Å; Y337-F347 AromaticContact CD2-CE1 3.78Å; Y337-F347 HydrophobicContact CD2-CE1 3.78Å; Y337-F347 HydrophobicContact CD2-CZ 4.34Å; Y337-F347 HydrophobicContact CE1-CE1 4.44Å; Y337-F347 HydrophobicContact CE2-CE1 4.27Å; Y337-F347 AromaticContact CG-CD1 3.85Å; Y337-F347 HydrophobicContact CG-CD1 3.85Å; Y337-F347 AromaticContact CG-CE1 3.61Å; Y337-F347 HydrophobicContact CG-CE1 3.61Å; Y337-T385 HydrophobicContact CD1-CG2 4.15Å; Y337-T385 HydrophobicContact CE1-CG2 3.37Å; Y337-T385 HydrophobicContact CE2-CG2 4.39Å; Y337-T385 PolarHBondContact N-O 2.97Å; Y337-T385 PolarHBondContact O-N 2.73Å; Y337-H387 HydrophobicContact CE1-CB 4.44Å |
| 338 | W | 88 | Confident | 80.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 151.5 | -177.6 | -80.3 | 86.6 | 0 | 0 | 0 | 112.1 | P311 F324 C326 P345 I346 G367 L369 Q383 C384 | P311-W338 HydrophobicContact CB-CH2 3.59Å; P311-W338 HydrophobicContact CB-CZ2 4.25Å; P311-W338 HydrophobicContact CG-CH2 3.66Å; P311-W338 HydrophobicContact CG-CZ2 4.42Å; P311-W338 HydrophobicContact CG-CZ3 4.41Å; F324-W338 HydrophobicContact CB-CH2 3.35Å; F324-W338 HydrophobicContact CB-CZ2 3.64Å; F324-W338 HydrophobicContact CB-CZ3 4.18Å; F324-W338 AromaticContact CG-CH2 3.97Å; F324-W338 HydrophobicContact CG-CH2 3.97Å; F324-W338 HydrophobicContact CG-CZ3 4.39Å; C326-W338 HydrophobicContact CB-CZ2 3.69Å; W338-P345 CarbonylContact O-C 3.59Å; W338-P345 VanDerWaalsContact O-CA 3.22Å; W338-P345 WeakPolarHBondContact O-CA 3.23Å; W338-I346 HydrophobicContact CB-CB 4.47Å; W338-I346 PolarHBondContact N-O 2.82Å; W338-I346 PolarHBondContact O-N 2.9Å; W338-G367 PolarHBondContact NE1-O 2.9Å; W338-L369 HydrophobicContact CB-CD2 4.07Å; W338-L369 HydrophobicContact CD2-CB 3.75Å; W338-L369 HydrophobicContact CD2-CD2 3.8Å; W338-L369 HydrophobicContact CD2-CG 4.39Å; W338-L369 HydrophobicContact CE3-CB 4.44Å; W338-L369 HydrophobicContact CE3-CD2 3.88Å; W338-L369 HydrophobicContact CG-CB 3.86Å; W338-L369 HydrophobicContact CG-CD2 3.91Å; W338-L369 HydrophobicContact CG-CG 4.35Å; W338-L369 HydrophobicContact CZ2-CB 4.07Å; W338-Q383 CarbonylContact C-O 3.52Å; W338-Q383 WeakPolarHBondContact CA-O 3.36Å; W338-C384 HydrophobicContact CD2-CB 4.02Å; W338-C384 HydrophobicContact CE3-CB 4.08Å; W338-C384 HydrophobicContact CH2-CB 3.76Å; W338-C384 HydrophobicContact CZ2-CB 3.7Å; W338-C384 HydrophobicContact CZ3-CB 3.94Å |
| 339 | E | 83 | Confident | 78.8 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.7 | 170.5 | -179.9 | -171.7 | 120.8 | 0 | 0 | 107.8 | K343 Y382 Q383 | E339-K343 HydrophobicContact CG-CD 4.21Å; E339-K343 WeakPolarHBondContact OE1-CD 3.01Å; E339-K343 WeakPolarHBondContact OE1-CE 3.2Å; E339-K343 IonicContact OE1-NZ 2.71Å; E339-K343 PolarHBondContact OE1-NZ 2.76Å; E339-Y382 WeakPolarHBondContact O-CA 3.22Å; E339-Q383 HydrophobicContact CB-CB 4.22Å; E339-Q383 PolarHBondContact N-O 3.05Å; E339-Q383 PolarHBondContact O-N 3.1Å; E339-Q383 PolarHBondContact OE2-NE2 2.73Å; E339-Q383 VanDerWaalsContact OE2-NE2 3.12Å |
| 340 | L | 88 | Confident | 77.1 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | trans | -76.3 | 165.5 | 179.1 | -67.2 | -165.9 | 0 | 0 | 0 | 111.9 | D342 K343 T344 I346 H361 L369 Y382 | L340-D342 VanDerWaalsContact CB-OD1 3.29Å; L340-D342 WeakPolarHBondContact CB-OD1 3.22Å; L340-D342 PolarHBondContact O-N 2.88Å; L340-D342 VanDerWaalsContact O-N 3.11Å; L340-K343 WeakPolarHBondContact O-CA 3.4Å; L340-K343 PolarHBondContact O-N 2.95Å; L340-T344 WeakPolarHBondContact CD1-OG1 3.41Å; L340-T344 PolarHBondContact N-O 2.92Å; L340-I346 HydrophobicContact CD1-CD1 4.06Å; L340-I346 HydrophobicContact CD2-CD1 3.78Å; L340-I346 HydrophobicContact CG-CD1 3.92Å; L340-I346 HydrophobicContact CG-CG1 4.36Å; L340-H361 WeakPolarHBondContact CD1-CE1 3.35Å; L340-L369 HydrophobicContact CD2-CD2 4.11Å; L340-Y382 HydrophobicContact CD2-CD1 3.72Å; L340-Y382 HydrophobicContact CD2-CE1 3.35Å | ||
| 341 | P | 83.5 | Confident | 75.3 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 29% | 0.292 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.3 | 176.5 | -28.3 | 36.5 | 0 | 0 | 0 | 115.1 | K343 K381 Y382 | P341-K343 VanDerWaalsContact C-N 3.28Å; P341-K343 PolarHBondContact O-N 2.83Å; P341-K381 WeakPolarHBondContact CA-O 3.04Å; P341-Y382 HydrophobicContact CG-CD2 3.64Å; P341-Y382 HydrophobicContact CG-CE2 3.39Å; P341-Y382 HydrophobicContact CG-CG 4.31Å |
| 342 | D | 79.2 | Confident | 73.4 | Confident | 102 Ų | 102 | 64.9 Ų | 64.9 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 7.3 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 114.2 | L340 T344 | L340-D342 VanDerWaalsContact CB-OD1 3.29Å; L340-D342 WeakPolarHBondContact CB-OD1 3.22Å; L340-D342 PolarHBondContact O-N 2.88Å; L340-D342 VanDerWaalsContact O-N 3.11Å; D342-T344 VanDerWaalsContact C-N 3.3Å; D342-T344 PolarHBondContact O-N 2.98Å; D342-T344 WeakPolarHBondContact OD1-CB 3.49Å; D342-T344 WeakPolarHBondContact OD1-CG2 3.29Å; D342-T344 PolarHBondContact OD1-N 2.82Å; D342-T344 PolarHBondContact OD1-OG1 2.85Å |
| 343 | K | 73.3 | Confident | 71.5 | Confident | 135 Ų | 135 | 66.2 Ų | 66.2 | 59% | 0.587 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 68.8 | 13.4 | -175.4 | -55.7 | -54.1 | -166.9 | -177 | 0 | 116 | E339 L340 P341 | E339-K343 HydrophobicContact CG-CD 4.21Å; E339-K343 WeakPolarHBondContact OE1-CD 3.01Å; E339-K343 WeakPolarHBondContact OE1-CE 3.2Å; E339-K343 IonicContact OE1-NZ 2.71Å; E339-K343 PolarHBondContact OE1-NZ 2.76Å; L340-K343 WeakPolarHBondContact O-CA 3.4Å; L340-K343 PolarHBondContact O-N 2.95Å; P341-K343 VanDerWaalsContact C-N 3.28Å; P341-K343 PolarHBondContact O-N 2.83Å |
| 344 | T | 72.4 | Confident | 69.4 | Low | 64 Ų | 64 | 63.8 Ų | 63.8 | 39% | 0.393 | 36% | 0.358 | S | S | . | . | trans | -78.3 | 131.2 | 171 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | L340 D342 | L340-T344 WeakPolarHBondContact CD1-OG1 3.41Å; L340-T344 PolarHBondContact N-O 2.92Å; D342-T344 VanDerWaalsContact C-N 3.3Å; D342-T344 PolarHBondContact O-N 2.98Å; D342-T344 WeakPolarHBondContact OD1-CB 3.49Å; D342-T344 WeakPolarHBondContact OD1-CG2 3.29Å; D342-T344 PolarHBondContact OD1-N 2.82Å; D342-T344 PolarHBondContact OD1-OG1 2.85Å | ||
| 345 | P | 73.3 | Confident | 67.5 | Low | 61 Ų | 61 | 71.6 Ų | 71.6 | 40% | 0.396 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 141.1 | 178 | 34.3 | -33.8 | 0 | 0 | 0 | 112.8 | W338 F347 | W338-P345 CarbonylContact O-C 3.59Å; W338-P345 VanDerWaalsContact O-CA 3.22Å; W338-P345 WeakPolarHBondContact O-CA 3.23Å; P345-F347 HydrophobicContact CB-CE2 3.8Å; P345-F347 HydrophobicContact CB-CZ 3.88Å; P345-F347 HydrophobicContact CG-CE2 3.86Å; P345-F347 HydrophobicContact CG-CZ 4.22Å |
| 346 | I | 72.2 | Confident | 65.5 | Low | 21 Ų | 21 | 77.6 Ų | 77.6 | 11% | 0.108 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 121.8 | 175.4 | -58.2 | 177.6 | 0 | 0 | 0 | 108.9 | Y337 W338 L340 H361 L363 L369 | Y337-I346 WeakPolarHBondContact CB-O 3.43Å; W338-I346 HydrophobicContact CB-CB 4.47Å; W338-I346 PolarHBondContact N-O 2.82Å; W338-I346 PolarHBondContact O-N 2.9Å; L340-I346 HydrophobicContact CD1-CD1 4.06Å; L340-I346 HydrophobicContact CD2-CD1 3.78Å; L340-I346 HydrophobicContact CG-CD1 3.92Å; L340-I346 HydrophobicContact CG-CG1 4.36Å; I346-H361 HydrophobicContact CD1-CB 3.46Å; I346-H361 VanDerWaalsContact CD1-CB 3.46Å; I346-L363 HydrophobicContact CG2-CB 4.06Å; I346-L363 HydrophobicContact CG2-CD2 4.11Å; I346-L369 HydrophobicContact CD1-CD1 4.01Å |
| 347 | F | 71.6 | Confident | 63.8 | Low | 96 Ų | 96 | 82 Ų | 82 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | trans | -108 | 148.7 | 179.8 | -60.4 | -79.4 | 0 | 0 | 0 | 111.9 | Y337 P345 G349 D350 | Y337-F347 HydrophobicContact CD1-CD1 4.35Å; Y337-F347 AromaticContact CD1-CE1 3.98Å; Y337-F347 HydrophobicContact CD1-CE1 3.98Å; Y337-F347 HydrophobicContact CD2-CD1 4.32Å; Y337-F347 AromaticContact CD2-CE1 3.78Å; Y337-F347 HydrophobicContact CD2-CE1 3.78Å; Y337-F347 HydrophobicContact CD2-CZ 4.34Å; Y337-F347 HydrophobicContact CE1-CE1 4.44Å; Y337-F347 HydrophobicContact CE2-CE1 4.27Å; Y337-F347 AromaticContact CG-CD1 3.85Å; Y337-F347 HydrophobicContact CG-CD1 3.85Å; Y337-F347 AromaticContact CG-CE1 3.61Å; Y337-F347 HydrophobicContact CG-CE1 3.61Å; P345-F347 HydrophobicContact CB-CE2 3.8Å; P345-F347 HydrophobicContact CB-CZ 3.88Å; P345-F347 HydrophobicContact CG-CE2 3.86Å; P345-F347 HydrophobicContact CG-CZ 4.22Å; F347-G349 PolarHBondContact O-N 2.92Å; F347-D350 PolarHBondContact O-N 2.91Å | ||
| 348 | P | 62.9 | Low | 61.9 | Low | 68 Ų | 68 | 87 Ų | 87 | 44% | 0.442 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 132.6 | 174.8 | -23.3 | 33.4 | 0 | 0 | 0 | 111.4 | I336 L363 | I336-P348 WeakPolarHBondContact O-CD 3.39Å; I336-P348 WeakPolarHBondContact O-CG 3.41Å; P348-L363 HydrophobicContact CG-CD2 3.9Å; P348-L363 HydrophobicContact CG-CG 4.4Å |
| 349 | G | 55.5 | Low | 60.5 | Low | 73 Ų | 73 | 88.6 Ų | 88.6 | 75% | 0.753 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 0.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | F347 Q351 | F347-G349 PolarHBondContact O-N 2.92Å; G349-Q351 VanDerWaalsContact C-N 3.3Å; G349-Q351 PolarHBondContact O-N 3.37Å |
| 350 | D | 51.1 | Low | 60.3 | Low | 64 Ų | 64 | 88 Ų | 88 | 34% | 0.342 | 48% | 0.475 | S | S | . | . | trans | -76.2 | 81.5 | 173.8 | -164.2 | -14.9 | 0 | 0 | 0 | 112 | F347 T352 | F347-D350 PolarHBondContact O-N 2.91Å; D350-T352 PolarHBondContact O-N 3.27Å; D350-T352 WeakPolarHBondContact OD1-CA 3.33Å; D350-T352 WeakPolarHBondContact OD1-CB 3.27Å; D350-T352 PolarHBondContact OD1-N 3.38Å; D350-T352 PolarHBondContact OD1-OG1 2.81Å | ||
| 351 | Q | 45.1 | Very low | 59.9 | Low | 158 Ų | 158 | 89.9 Ų | 89.9 | 74% | 0.738 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -75.2 | -2.7 | 172.9 | -64 | -175.9 | -8.9 | 0 | 0 | 112.9 | G349 N354 | G349-Q351 VanDerWaalsContact C-N 3.3Å; G349-Q351 PolarHBondContact O-N 3.37Å; Q351-N354 PolarHBondContact O-ND2 2.82Å |
| 352 | T | 40.3 | Very low | 59.6 | Low | 112 Ų | 112 | 92.1 Ų | 92.1 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -89.4 | -12.2 | -169.1 | 71.8 | 0 | 0 | 0 | 0 | 114.6 | D350 N354 | D350-T352 PolarHBondContact O-N 3.27Å; D350-T352 WeakPolarHBondContact OD1-CA 3.33Å; D350-T352 WeakPolarHBondContact OD1-CB 3.27Å; D350-T352 PolarHBondContact OD1-N 3.38Å; D350-T352 PolarHBondContact OD1-OG1 2.81Å; T352-N354 PolarHBondContact O-N 2.03Å |
| 353 | I | 42.9 | Very low | 59.5 | Low | 74 Ų | 74 | 88.2 Ų | 88.2 | 38% | 0.379 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -74.1 | -11.5 | 174.4 | -61.2 | 172.9 | 0 | 0 | 0 | 112.2 | E355 F356 H357 | I353-E355 PolarHBondContact O-N 2.86Å; I353-E355 VanDerWaalsContact O-N 3.13Å; I353-F356 PolarHBondContact O-N 2.9Å; I353-F356 VanDerWaalsContact O-N 3.12Å; I353-H357 HydrophobicContact CG2-CB 4.19Å; I353-H357 PolarHBondContact O-N 2.95Å |
| 354 | N | 36.6 | Very low | 59.7 | Low | 87 Ų | 87 | 83 Ų | 83 | 47% | 0.465 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.9 | -22.9 | -178.1 | -76.8 | -54 | 0 | 0 | 0 | 114.7 | Q351 T352 F356 N358 | Q351-N354 PolarHBondContact O-ND2 2.82Å; T352-N354 PolarHBondContact O-N 2.03Å; N354-F356 VanDerWaalsContact C-N 3.31Å; N354-F356 PolarHBondContact O-N 3.18Å; N354-N358 PolarHBondContact O-N 2.68Å |
| 355 | E | 41.2 | Very low | 59.6 | Low | 176 Ų | 176 | 84 Ų | 84 | 82% | 0.822 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -77.9 | -11 | 178.1 | -63.1 | -169.8 | 152.5 | 0 | 0 | 114.2 | I353 | I353-E355 PolarHBondContact O-N 2.86Å; I353-E355 VanDerWaalsContact O-N 3.13Å |
| 356 | F | 43.3 | Very low | 59.5 | Low | 188 Ų | 188 | 86.6 Ų | 86.6 | 83% | 0.825 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -126.2 | -21.9 | 176.9 | -87.6 | -94.8 | 0 | 0 | 0 | 115 | I353 N354 | I353-F356 PolarHBondContact O-N 2.9Å; I353-F356 VanDerWaalsContact O-N 3.12Å; N354-F356 VanDerWaalsContact C-N 3.31Å; N354-F356 PolarHBondContact O-N 3.18Å |
| 357 | H | 48 | Very low | 59.9 | Low | 106 Ų | 106 | 85.7 Ų | 85.7 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -130.4 | 31.5 | 178.6 | -84.8 | -49.3 | 0 | 0 | 0 | 116.2 | I353 G359 K360 | I353-H357 HydrophobicContact CG2-CB 4.19Å; I353-H357 PolarHBondContact O-N 2.95Å; H357-G359 VanDerWaalsContact C-N 3.34Å; H357-G359 PolarHBondContact O-N 2.91Å; H357-K360 PolarHBondContact O-N 2.85Å; H357-K360 VanDerWaalsContact O-N 3.12Å |
| 358 | N | 48.6 | Very low | 60.6 | Low | 154 Ų | 154 | 81.6 Ų | 81.6 | 82% | 0.824 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 43.2 | 144.7 | -141.3 | 44.7 | 0 | 0 | 0 | 116 | N354 K360 | N354-N358 PolarHBondContact O-N 2.68Å; N358-K360 PolarHBondContact O-N 2.6Å; N358-K360 VanDerWaalsContact O-N 3.16Å |
| 359 | G | 59.5 | Low | 61.9 | Low | 32 Ų | 32 | 78.4 Ų | 78.4 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 16.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | H357 | H357-G359 VanDerWaalsContact C-N 3.34Å; H357-G359 PolarHBondContact O-N 2.91Å |
| 360 | K | 77.7 | Confident | 63.5 | Low | 24 Ų | 24 | 76.7 Ų | 76.7 | 10% | 0.104 | 39% | 0.391 | C | S | . | . | trans | -71.4 | -43.4 | -171.3 | 175.4 | 155 | -173.7 | 147.2 | 0 | 114.4 | H357 N358 R372 D373 D378 | H357-K360 PolarHBondContact O-N 2.85Å; H357-K360 VanDerWaalsContact O-N 3.12Å; N358-K360 PolarHBondContact O-N 2.6Å; N358-K360 VanDerWaalsContact O-N 3.16Å; K360-R372 WeakPolarHBondContact CE-O 3.46Å; K360-R372 WeakPolarHBondContact CG-O 3.17Å; K360-R372 PolarHBondContact O-N 2.88Å; K360-D373 PolarHBondContact NZ-O 3.2Å; K360-D378 WeakPolarHBondContact CE-OD1 3.4Å; K360-D378 WeakPolarHBondContact CE-OD2 3.27Å; K360-D378 IonicContact NZ-OD1 3.16Å; K360-D378 PolarHBondContact NZ-OD1 3.05Å; K360-D378 IonicContact NZ-OD2 3.67Å; K360-D378 PolarHBondContact NZ-OD2 3.15Å | ||
| 361 | H | 78.8 | Confident | 65.3 | Low | 48 Ų | 48 | 73.7 Ų | 73.7 | 22% | 0.222 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.5 | -177.4 | -55.9 | 112.6 | 0 | 0 | 0 | 109.3 | L340 I346 L369 E370 | L340-H361 WeakPolarHBondContact CD1-CE1 3.35Å; I346-H361 HydrophobicContact CD1-CB 3.46Å; I346-H361 VanDerWaalsContact CD1-CB 3.46Å; H361-L369 HydrophobicContact CB-CD1 4.38Å; H361-E370 WeakPolarHBondContact CA-O 3.35Å |
| 362 | Y | 77.6 | Confident | 67.3 | Low | 92 Ų | 92 | 71.1 Ų | 71.1 | 36% | 0.361 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.4 | -179.9 | 174.4 | -106.6 | 0 | 0 | 0 | 109.9 | T364 E370 | Y362-T364 HydrophobicContact CD1-CG2 4.4Å; Y362-T364 HydrophobicContact CE1-CG2 4.02Å; Y362-E370 HydrophobicContact CD1-CB 4.33Å; Y362-E370 WeakPolarHBondContact CD1-OE2 3.42Å; Y362-E370 PolarHBondContact N-O 2.74Å; Y362-E370 PolarHBondContact O-N 2.67Å |
| 363 | L | 78.5 | Confident | 69.5 | Low | 19 Ų | 19 | 69.2 Ų | 69.2 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.8 | -179.4 | 175.8 | 49.2 | 0 | 0 | 0 | 108.9 | I346 P348 G367 S368 | I346-L363 HydrophobicContact CG2-CB 4.06Å; I346-L363 HydrophobicContact CG2-CD2 4.11Å; P348-L363 HydrophobicContact CG-CD2 3.9Å; P348-L363 HydrophobicContact CG-CG 4.4Å; L363-G367 VanDerWaalsContact CD1-C 3.49Å; L363-G367 WeakPolarHBondContact CD1-O 3.45Å; L363-S368 CarbonylContact C-O 3.6Å; L363-S368 WeakPolarHBondContact CA-O 3.22Å; L363-S368 VanDerWaalsContact CD1-O 3.25Å; L363-S368 WeakPolarHBondContact CD1-O 3.33Å |
| 364 | T | 75.7 | Confident | 71.5 | Confident | 26 Ų | 26 | 65.7 Ų | 65.7 | 16% | 0.16 | 33% | 0.326 | C | S | . | . | trans | -71.8 | 156.7 | -178.9 | 82.1 | 0 | 0 | 0 | 0 | 111.4 | Y362 E366 G367 S368 | Y362-T364 HydrophobicContact CD1-CG2 4.4Å; Y362-T364 HydrophobicContact CE1-CG2 4.02Å; T364-E366 WeakPolarHBondContact CB-OE2 3.37Å; T364-E366 PolarHBondContact O-N 2.75Å; T364-E366 VanDerWaalsContact O-N 3.15Å; T364-E366 PolarHBondContact OG1-OE2 2.88Å; T364-G367 PolarHBondContact O-N 3.08Å; T364-S368 PolarHBondContact N-O 2.94Å; T364-S368 PolarHBondContact OG1-N 2.84Å | ||
| 365 | P | 70.3 | Confident | 73.9 | Confident | 86 Ų | 86 | 67.5 Ų | 67.5 | 56% | 0.558 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -26 | 178.4 | -25 | 35.7 | 0 | 0 | 0 | 114.4 | L1325 | P365-L1325 HydrophobicContact CG-CD2 4.06Å; P365-L1325 HydrophobicContact CG-CG 4.48Å |
| 366 | E | 72.3 | Confident | 75.9 | Confident | 114 Ų | 114 | 63.1 Ų | 63.1 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -17.4 | -180 | -49.4 | 71.2 | -150 | 0 | 0 | 112.8 | T364 | T364-E366 WeakPolarHBondContact CB-OE2 3.37Å; T364-E366 PolarHBondContact O-N 2.75Å; T364-E366 VanDerWaalsContact O-N 3.15Å; T364-E366 PolarHBondContact OG1-OE2 2.88Å |
| 367 | G | 81.1 | Confident | 77.8 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | S | Bend | trans | 113.6 | 4.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | C326 W338 L363 T364 | C326-G367 CarbonylContact O-C 3.54Å; C326-G367 VanDerWaalsContact O-C 3.26Å; C326-G367 WeakPolarHBondContact O-CA 3.37Å; W338-G367 PolarHBondContact NE1-O 2.9Å; L363-G367 VanDerWaalsContact CD1-C 3.49Å; L363-G367 WeakPolarHBondContact CD1-O 3.45Å; T364-G367 PolarHBondContact O-N 3.08Å |
| 368 | S | 85.6 | Confident | 79.7 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | trans | -82.9 | 141.4 | -179.7 | -60 | 0 | 0 | 0 | 0 | 112.4 | F324 L363 T364 | F324-S368 CarbonylContact O-C 3.58Å; F324-S368 VanDerWaalsContact O-CA 3.23Å; F324-S368 WeakPolarHBondContact O-CA 3.04Å; F324-S368 WeakPolarHBondContact O-CB 3.42Å; L363-S368 CarbonylContact C-O 3.6Å; L363-S368 WeakPolarHBondContact CA-O 3.22Å; L363-S368 VanDerWaalsContact CD1-O 3.25Å; L363-S368 WeakPolarHBondContact CD1-O 3.33Å; T364-S368 PolarHBondContact N-O 2.94Å; T364-S368 PolarHBondContact OG1-N 2.84Å | ||
| 369 | L | 89.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.6 | 179 | 177.8 | 68.2 | 0 | 0 | 0 | 111.7 | V323 F324 W338 L340 I346 H361 V371 Y382 | V323-L369 CarbonylContact C-O 3.17Å; V323-L369 WeakPolarHBondContact CA-O 3.45Å; F324-L369 HydrophobicContact CB-CB 4.49Å; F324-L369 PolarHBondContact N-O 3.42Å; F324-L369 PolarHBondContact O-N 2.79Å; W338-L369 HydrophobicContact CB-CD2 4.07Å; W338-L369 HydrophobicContact CD2-CB 3.75Å; W338-L369 HydrophobicContact CD2-CD2 3.8Å; W338-L369 HydrophobicContact CD2-CG 4.39Å; W338-L369 HydrophobicContact CE3-CB 4.44Å; W338-L369 HydrophobicContact CE3-CD2 3.88Å; W338-L369 HydrophobicContact CG-CB 3.86Å; W338-L369 HydrophobicContact CG-CD2 3.91Å; W338-L369 HydrophobicContact CG-CG 4.35Å; W338-L369 HydrophobicContact CZ2-CB 4.07Å; L340-L369 HydrophobicContact CD2-CD2 4.11Å; I346-L369 HydrophobicContact CD1-CD1 4.01Å; H361-L369 HydrophobicContact CB-CD1 4.38Å; L369-V371 HydrophobicContact CD2-CG2 4.32Å; L369-V371 HydrophobicContact CG-CG2 4.23Å; L369-Y382 HydrophobicContact CD2-CD1 3.48Å; L369-Y382 VanDerWaalsContact CD2-CD1 3.48Å; L369-Y382 HydrophobicContact CD2-CE1 3.75Å |
| 370 | E | 89.7 | Confident | 83 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 130.5 | 169 | -174.6 | -172.5 | 175.8 | 0 | 0 | 110.4 | T321 A322 V323 H361 Y362 R372 | T321-E370 HydrophobicContact CG2-CG 3.42Å; T321-E370 VanDerWaalsContact CG2-CG 3.42Å; A322-E370 CarbonylContact O-C 3.58Å; A322-E370 WeakPolarHBondContact O-CA 3.36Å; V323-E370 HydrophobicContact CG2-CG 4.27Å; H361-E370 WeakPolarHBondContact CA-O 3.35Å; Y362-E370 HydrophobicContact CD1-CB 4.33Å; Y362-E370 WeakPolarHBondContact CD1-OE2 3.42Å; Y362-E370 PolarHBondContact N-O 2.74Å; Y362-E370 PolarHBondContact O-N 2.67Å; E370-R372 VanDerWaalsContact CD-NH2 3.33Å; E370-R372 HydrophobicContact CG-CG 4.13Å; E370-R372 WeakPolarHBondContact OE1-CG 3.22Å; E370-R372 IonicContact OE1-CZ 2.83Å; E370-R372 IonicContact OE1-NE 3.51Å; E370-R372 PolarHBondContact OE1-NE 2.6Å; E370-R372 IonicContact OE1-NH2 2.61Å; E370-R372 PolarHBondContact OE1-NH2 2.68Å; E370-R372 IonicContact OE2-CZ 2.83Å; E370-R372 IonicContact OE2-NE 3.38Å; E370-R372 PolarHBondContact OE2-NE 2.81Å; E370-R372 IonicContact OE2-NH2 2.7Å; E370-R372 PolarHBondContact OE2-NH2 3.03Å |
| 371 | V | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 107.2 | 175.5 | -172.8 | 0 | 0 | 0 | 0 | 108.1 | T321 A322 L369 V374 Y382 | T321-V371 CarbonylContact C-O 3.49Å; T321-V371 WeakPolarHBondContact CA-O 3.44Å; T321-V371 WeakPolarHBondContact CG2-O 3.33Å; A322-V371 HydrophobicContact CB-CB 4.22Å; A322-V371 PolarHBondContact N-O 2.83Å; A322-V371 PolarHBondContact O-N 3.01Å; L369-V371 HydrophobicContact CD2-CG2 4.32Å; L369-V371 HydrophobicContact CG-CG2 4.23Å; V371-V374 HydrophobicContact CB-CG2 4.25Å; V371-V374 HydrophobicContact CG1-CG2 3.98Å; V371-V374 WeakPolarHBondContact O-CG2 3.5Å; V371-Y382 HydrophobicContact CG2-CE1 3.77Å |
| 372 | R | 87 | Confident | 84.2 | Confident | 105 Ų | 105 | 52.8 Ų | 52.8 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | trans | -90.5 | 154.9 | -178.2 | -61.6 | 178.2 | 178.1 | 152.4 | 8.9 | 111.8 | T321 K360 E370 V374 | T321-R372 HydrophobicContact CG2-CG 4.15Å; K360-R372 WeakPolarHBondContact CE-O 3.46Å; K360-R372 WeakPolarHBondContact CG-O 3.17Å; K360-R372 PolarHBondContact O-N 2.88Å; E370-R372 VanDerWaalsContact CD-NH2 3.33Å; E370-R372 HydrophobicContact CG-CG 4.13Å; E370-R372 WeakPolarHBondContact OE1-CG 3.22Å; E370-R372 IonicContact OE1-CZ 2.83Å; E370-R372 IonicContact OE1-NE 3.51Å; E370-R372 PolarHBondContact OE1-NE 2.6Å; E370-R372 IonicContact OE1-NH2 2.61Å; E370-R372 PolarHBondContact OE1-NH2 2.68Å; E370-R372 IonicContact OE2-CZ 2.83Å; E370-R372 IonicContact OE2-NE 3.38Å; E370-R372 PolarHBondContact OE2-NE 2.81Å; E370-R372 IonicContact OE2-NH2 2.7Å; E370-R372 PolarHBondContact OE2-NH2 3.03Å; R372-V374 VanDerWaalsContact C-N 3.33Å; R372-V374 PolarHBondContact O-N 2.79Å | ||
| 373 | D | 85.5 | Confident | 84.8 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 49.4 | 54.6 | 179.7 | 173.7 | 54 | 0 | 0 | 0 | 110.8 | E320 K360 R375 | E320-D373 PolarHBondContact O-N 3.38Å; K360-D373 PolarHBondContact NZ-O 3.2Å; D373-R375 WeakPolarHBondContact O-CG 3.29Å; D373-R375 PolarHBondContact O-N 3.36Å; D373-R375 IonicContact OD1-NE 3.74Å; D373-R375 IonicContact OD2-CZ 3.16Å; D373-R375 IonicContact OD2-NE 2.84Å; D373-R375 PolarHBondContact OD2-NE 3.23Å; D373-R375 IonicContact OD2-NH2 2.67Å; D373-R375 PolarHBondContact OD2-NH2 2.93Å |
| 374 | V | 86.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -60.2 | 131.9 | -177.2 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | V316 E318 G319 E320 A322 V371 R372 L399 V401 | V316-V374 HydrophobicContact CG1-CB 4.29Å; V316-V374 HydrophobicContact CG1-CG1 4.32Å; V316-V374 HydrophobicContact CG1-CG2 4.22Å; E318-V374 CarbonylContact C-O 3.58Å; E318-V374 VanDerWaalsContact CA-O 3.29Å; E318-V374 WeakPolarHBondContact CA-O 3.41Å; G319-V374 PolarHBondContact N-O 3.42Å; E320-V374 WeakPolarHBondContact O-CB 3.41Å; E320-V374 WeakPolarHBondContact O-CG2 3.44Å; E320-V374 PolarHBondContact O-N 3.37Å; A322-V374 HydrophobicContact CB-CG2 4.08Å; V371-V374 HydrophobicContact CB-CG2 4.25Å; V371-V374 HydrophobicContact CG1-CG2 3.98Å; V371-V374 WeakPolarHBondContact O-CG2 3.5Å; R372-V374 VanDerWaalsContact C-N 3.33Å; R372-V374 PolarHBondContact O-N 2.79Å; V374-L399 HydrophobicContact CG1-CD2 4.02Å; V374-L399 HydrophobicContact CG2-CD2 4.4Å; V374-V401 HydrophobicContact CG1-CB 4.22Å; V374-V401 HydrophobicContact CG1-CG1 3.83Å; V374-V401 HydrophobicContact CG1-CG2 3.33Å | ||
| 375 | R | 86.7 | Confident | 86.1 | Confident | 124 Ų | 124 | 48.3 Ų | 48.3 | 47% | 0.468 | 23% | 0.234 | S | C | . | . | trans | -129.5 | 161.3 | -179.6 | -54.9 | -173.2 | -165.5 | -170.9 | 1.3 | 110.3 | E318 D373 K377 D378 | E318-R375 WeakPolarHBondContact OE1-CA 3.37Å; E318-R375 WeakPolarHBondContact OE1-CB 3.39Å; D373-R375 WeakPolarHBondContact O-CG 3.29Å; D373-R375 PolarHBondContact O-N 3.36Å; D373-R375 IonicContact OD1-NE 3.74Å; D373-R375 IonicContact OD2-CZ 3.16Å; D373-R375 IonicContact OD2-NE 2.84Å; D373-R375 PolarHBondContact OD2-NE 3.23Å; D373-R375 IonicContact OD2-NH2 2.67Å; D373-R375 PolarHBondContact OD2-NH2 2.93Å; R375-K377 HydrophobicContact CB-CG 4.13Å; R375-K377 PolarHBondContact O-N 2.72Å; R375-D378 WeakPolarHBondContact CA-OD2 3.44Å; R375-D378 PolarHBondContact N-OD2 3.13Å; R375-D378 PolarHBondContact O-N 2.8Å; R375-D378 VanDerWaalsContact O-OD2 3.13Å | ||
| 376 | Q | 82.4 | Confident | 86.9 | Confident | 84 Ų | 84 | 44.2 Ų | 44.2 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -52.6 | -31.9 | -176.2 | -165.6 | 66.1 | 75.4 | 0 | 0 | 113.5 | E318 D378 S379 V401 | E318-Q376 PolarHBondContact OE1-N 3.32Å; Q376-D378 VanDerWaalsContact C-N 3.32Å; Q376-D378 PolarHBondContact O-N 2.91Å; Q376-S379 VanDerWaalsContact O-CB 3.29Å; Q376-S379 WeakPolarHBondContact O-CB 3.41Å; Q376-S379 PolarHBondContact O-N 3.1Å; Q376-V401 PolarHBondContact NE2-O 3.38Å; Q376-V401 PolarHBondContact OE1-O 3.4Å |
| 377 | K | 84.2 | Confident | 87.4 | Confident | 149 Ų | 149 | 41.3 Ų | 41.3 | 65% | 0.648 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -71.7 | -14.8 | 178.7 | 64.7 | 146.5 | -164.5 | 156.9 | 0 | 115.8 | R375 | R375-K377 HydrophobicContact CB-CG 4.13Å; R375-K377 PolarHBondContact O-N 2.72Å |
| 378 | D | 87 | Confident | 87.3 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -94.1 | -2.2 | 176.7 | -33.5 | -67.9 | 0 | 0 | 0 | 111.1 | K360 R375 Q376 G380 Y382 | K360-D378 WeakPolarHBondContact CE-OD1 3.4Å; K360-D378 WeakPolarHBondContact CE-OD2 3.27Å; K360-D378 IonicContact NZ-OD1 3.16Å; K360-D378 PolarHBondContact NZ-OD1 3.05Å; K360-D378 IonicContact NZ-OD2 3.67Å; K360-D378 PolarHBondContact NZ-OD2 3.15Å; R375-D378 WeakPolarHBondContact CA-OD2 3.44Å; R375-D378 PolarHBondContact N-OD2 3.13Å; R375-D378 PolarHBondContact O-N 2.8Å; R375-D378 VanDerWaalsContact O-OD2 3.13Å; Q376-D378 VanDerWaalsContact C-N 3.32Å; Q376-D378 PolarHBondContact O-N 2.91Å; D378-G380 PolarHBondContact O-N 3.01Å; D378-Y382 WeakPolarHBondContact O-CE2 3.45Å; D378-Y382 PolarHBondContact O-OH 3.16Å |
| 379 | S | 88.1 | Confident | 86.9 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | trans | -66.8 | 130.7 | 173.9 | -162.2 | 0 | 0 | 0 | 0 | 110.5 | Q376 L399 V401 | Q376-S379 VanDerWaalsContact O-CB 3.29Å; Q376-S379 WeakPolarHBondContact O-CB 3.41Å; Q376-S379 PolarHBondContact O-N 3.1Å; S379-L399 CarbonylContact C-O 3.56Å; S379-L399 WeakPolarHBondContact CA-O 3.29Å; S379-L399 WeakPolarHBondContact CB-O 3.46Å; S379-L399 PolarHBondContact OG-O 2.97Å; S379-V401 PolarHBondContact OG-N 3.26Å | ||
| 380 | G | 88.7 | Confident | 86 | Confident | 21 Ų | 21 | 46.6 Ų | 46.6 | 22% | 0.216 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153 | -168.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | D378 T398 L399 | D378-G380 PolarHBondContact O-N 3.01Å; G380-T398 CarbonylContact O-C 3.48Å; G380-T398 WeakPolarHBondContact O-CA 3.46Å; G380-L399 PolarHBondContact N-O 3.17Å; G380-L399 PolarHBondContact O-N 2.69Å |
| 381 | K | 90.7 | Very high | 85.2 | Confident | 112 Ų | 112 | 47.9 Ų | 47.9 | 49% | 0.487 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 114.1 | -173.1 | -175.4 | 173.2 | -178.6 | 169.3 | 0 | 112 | P341 S396 | P341-K381 WeakPolarHBondContact CA-O 3.04Å; K381-S396 WeakPolarHBondContact CE-OG 3.47Å; K381-S396 PolarHBondContact NZ-OG 2.76Å; K381-S396 VanDerWaalsContact NZ-OG 3.11Å |
| 382 | Y | 90.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 145.3 | 170.8 | -69.5 | -111.1 | 0 | 0 | 0 | 109.8 | F324 E339 L340 P341 L369 V371 D378 S396 A397 L399 | F324-Y382 HydrophobicContact CD2-CD1 4.24Å; F324-Y382 HydrophobicContact CD2-CG 4.25Å; F324-Y382 AromaticContact CE2-CD1 3.91Å; F324-Y382 HydrophobicContact CE2-CD1 3.91Å; F324-Y382 AromaticContact CE2-CD2 3.67Å; F324-Y382 HydrophobicContact CE2-CD2 3.67Å; F324-Y382 HydrophobicContact CE2-CE1 4.17Å; F324-Y382 HydrophobicContact CE2-CE2 4.01Å; F324-Y382 AromaticContact CE2-CG 3.64Å; F324-Y382 HydrophobicContact CE2-CG 3.64Å; F324-Y382 AromaticContact CZ-CD2 3.92Å; F324-Y382 HydrophobicContact CZ-CD2 3.92Å; F324-Y382 HydrophobicContact CZ-CE2 4.44Å; F324-Y382 HydrophobicContact CZ-CG 4.17Å; E339-Y382 WeakPolarHBondContact O-CA 3.22Å; L340-Y382 HydrophobicContact CD2-CD1 3.72Å; L340-Y382 HydrophobicContact CD2-CE1 3.35Å; P341-Y382 HydrophobicContact CG-CD2 3.64Å; P341-Y382 HydrophobicContact CG-CE2 3.39Å; P341-Y382 HydrophobicContact CG-CG 4.31Å; L369-Y382 HydrophobicContact CD2-CD1 3.48Å; L369-Y382 VanDerWaalsContact CD2-CD1 3.48Å; L369-Y382 HydrophobicContact CD2-CE1 3.75Å; V371-Y382 HydrophobicContact CG2-CE1 3.77Å; D378-Y382 WeakPolarHBondContact O-CE2 3.45Å; D378-Y382 PolarHBondContact O-OH 3.16Å; Y382-S396 CarbonylContact O-C 3.49Å; Y382-S396 VanDerWaalsContact O-CA 3.22Å; Y382-S396 WeakPolarHBondContact O-CA 3.46Å; Y382-S396 VanDerWaalsContact O-CB 3.3Å; Y382-S396 WeakPolarHBondContact O-CB 3.47Å; Y382-A397 PolarHBondContact N-O 3.12Å; Y382-A397 PolarHBondContact O-N 3.28Å; Y382-A397 VanDerWaalsContact O-O 3.04Å; Y382-L399 HydrophobicContact CD2-CB 3.96Å; Y382-L399 HydrophobicContact CE2-CB 3.5Å; Y382-L399 HydrophobicContact CE2-CD2 3.89Å; Y382-L399 HydrophobicContact CE2-CG 4.36Å |
| 383 | Q | 91.5 | Very high | 84.7 | Confident | 44 Ų | 44 | 47.1 Ų | 47.1 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 115.5 | -179.9 | 178.3 | 178.5 | -88.5 | 0 | 0 | 111.4 | W338 E339 H394 T395 | W338-Q383 CarbonylContact C-O 3.52Å; W338-Q383 WeakPolarHBondContact CA-O 3.36Å; E339-Q383 HydrophobicContact CB-CB 4.22Å; E339-Q383 PolarHBondContact N-O 3.05Å; E339-Q383 PolarHBondContact O-N 3.1Å; E339-Q383 PolarHBondContact OE2-NE2 2.73Å; E339-Q383 VanDerWaalsContact OE2-NE2 3.12Å; Q383-H394 HydrophobicContact CG-CB 4.37Å; Q383-T395 CarbonylContact C-O 3.17Å; Q383-T395 WeakPolarHBondContact CA-O 3.37Å; Q383-T395 WeakPolarHBondContact CG-O 3.28Å |
| 384 | C | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 135.7 | 168.9 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | P311 C326 I336 W338 H394 T395 | P311-C384 HydrophobicContact CG-CB 4.31Å; C326-C384 HydrophobicContact CB-CB 3.78Å; C326-C384 WeakPolarHBondContact CB-SG 3.34Å; C326-C384 WeakPolarHBondContact SG-CB 3.46Å; C326-C384 CovalentContact SG-SG 2.03Å; C326-C384 PolarHBondContact SG-SG 3.08Å; I336-C384 VanDerWaalsContact CG2-SG 3.53Å; W338-C384 HydrophobicContact CD2-CB 4.02Å; W338-C384 HydrophobicContact CE3-CB 4.08Å; W338-C384 HydrophobicContact CH2-CB 3.76Å; W338-C384 HydrophobicContact CZ2-CB 3.7Å; W338-C384 HydrophobicContact CZ3-CB 3.94Å; C384-H394 WeakPolarHBondContact O-CA 3.43Å; C384-T395 HydrophobicContact CB-CG2 3.82Å; C384-T395 PolarHBondContact N-O 2.94Å; C384-T395 PolarHBondContact O-N 3.46Å |
| 385 | T | 89.2 | Confident | 85 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.4 | 175.7 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | I336 Y337 T392 I393 H394 | I336-T385 CarbonylContact C-O 3.55Å; I336-T385 WeakPolarHBondContact CA-O 3.17Å; Y337-T385 HydrophobicContact CD1-CG2 4.15Å; Y337-T385 HydrophobicContact CE1-CG2 3.37Å; Y337-T385 HydrophobicContact CE2-CG2 4.39Å; Y337-T385 PolarHBondContact N-O 2.97Å; Y337-T385 PolarHBondContact O-N 2.73Å; T385-T392 HydrophobicContact CG2-CG2 3.42Å; T385-T392 VanDerWaalsContact CG2-CG2 3.42Å; T385-I393 WeakPolarHBondContact CA-O 3.18Å; T385-H394 VanDerWaalsContact CG2-CE1 3.44Å; T385-H394 WeakPolarHBondContact CG2-CE1 3.36Å; T385-H394 VanDerWaalsContact CG2-ND1 3.29Å; T385-H394 WeakPolarHBondContact CG2-ND1 3.37Å; T385-H394 PolarHBondContact OG1-ND1 3.28Å |
| 386 | A | 87.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 120.5 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | F307 A328 P334 I336 I393 | F307-A386 HydrophobicContact CD1-CB 4.33Å; F307-A386 HydrophobicContact CE1-CB 3.62Å; F307-A386 HydrophobicContact CZ-CB 4.05Å; A328-A386 HydrophobicContact CB-CB 3.44Å; A328-A386 VanDerWaalsContact CB-CB 3.44Å; P334-A386 HydrophobicContact CB-CB 4.09Å; P334-A386 HydrophobicContact CG-CB 4.4Å; I336-A386 HydrophobicContact CG1-CB 4.21Å; A386-I393 HydrophobicContact CB-CD1 4.31Å; A386-I393 HydrophobicContact CB-CG1 3.88Å; A386-I393 PolarHBondContact N-O 2.89Å; A386-I393 PolarHBondContact O-N 3.14Å |
| 387 | H | 83 | Confident | 85.5 | Confident | 53 Ų | 53 | 41.4 Ų | 41.4 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.7 | -172.2 | 169.4 | 76.6 | 0 | 0 | 0 | 110.6 | P334 S335 Y337 T392 | P334-H387 CarbonylContact C-O 3.39Å; P334-H387 VanDerWaalsContact CA-O 3.24Å; P334-H387 WeakPolarHBondContact CA-O 3.48Å; S335-H387 PolarHBondContact N-O 2.82Å; S335-H387 PolarHBondContact O-N 2.97Å; S335-H387 PolarHBondContact OG-O 2.89Å; Y337-H387 HydrophobicContact CE1-CB 4.44Å; H387-T392 HydrophobicContact CB-CG2 4.1Å; H387-T392 PolarHBondContact ND1-OG1 2.84Å |
| 388 | S | 79.8 | Confident | 85.8 | Confident | 10 Ų | 10 | 36 Ų | 36 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | trans | -129.5 | 178.3 | 167.7 | 82.9 | 0 | 0 | 0 | 0 | 110.6 | I390 D391 | S388-I390 PolarHBondContact O-N 2.9Å; S388-I390 PolarHBondContact OG-N 3.46Å; S388-D391 PolarHBondContact N-O 2.93Å; S388-D391 VanDerWaalsContact N-O 3.11Å | ||
| 389 | S | 76 | Confident | 86 | Confident | 91 Ų | 91 | 35.5 Ų | 35.5 | 64% | 0.636 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -68.6 | 2.2 | 176 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 390 | I | 71.7 | Confident | 86 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 12% | 0.118 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -112.7 | -40.9 | -172.7 | -65.1 | 162.5 | 0 | 0 | 0 | 112 | K232 D302 T303 P304 H331 P332 S388 | K232-I390 HydrophobicContact CD-CG2 4.49Å; D302-I390 HydrophobicContact CB-CD1 3.62Å; D302-I390 HydrophobicContact CB-CG1 4.38Å; T303-I390 VanDerWaalsContact O-CD1 3.23Å; T303-I390 WeakPolarHBondContact O-CD1 3.48Å; P304-I390 HydrophobicContact CB-CG2 4.19Å; H331-I390 WeakPolarHBondContact O-CD1 3.45Å; P332-I390 VanDerWaalsContact CD-CD1 3.47Å; S388-I390 PolarHBondContact O-N 2.9Å; S388-I390 PolarHBondContact OG-N 3.46Å |
| 391 | D | 73.3 | Confident | 85.9 | Confident | 65 Ų | 65 | 37.7 Ų | 37.7 | 35% | 0.348 | 20% | 0.202 | S | C | . | . | trans | -162.5 | -180 | 176.3 | -128.4 | -26.7 | 0 | 0 | 0 | 110.8 | P305 S388 K828 | P305-D391 HydrophobicContact CG-CB 4.2Å; S388-D391 PolarHBondContact N-O 2.93Å; S388-D391 VanDerWaalsContact N-O 3.11Å; D391-K828 IonicContact OD1-NZ 2.68Å; D391-K828 PolarHBondContact OD1-NZ 3.18Å | ||
| 392 | T | 79.6 | Confident | 85.3 | Confident | 46 Ų | 46 | 34.7 Ų | 34.7 | 28% | 0.282 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.1 | 172.6 | -58.9 | 0 | 0 | 0 | 0 | 109.5 | T385 H387 | T385-T392 HydrophobicContact CG2-CG2 3.42Å; T385-T392 VanDerWaalsContact CG2-CG2 3.42Å; H387-T392 HydrophobicContact CB-CG2 4.1Å; H387-T392 PolarHBondContact ND1-OG1 2.84Å |
| 393 | I | 85.6 | Confident | 84.3 | Confident | 42 Ų | 42 | 37.7 Ų | 37.7 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.5 | -178.9 | 58.2 | 172.4 | 0 | 0 | 0 | 110.1 | P305 F307 T385 A386 | P305-I393 HydrophobicContact CB-CD1 4.13Å; P305-I393 HydrophobicContact CB-CG1 4.23Å; P305-I393 HydrophobicContact CG-CG1 4.3Å; P305-I393 HydrophobicContact CG-CG2 4.4Å; F307-I393 HydrophobicContact CD1-CD1 4.35Å; F307-I393 HydrophobicContact CD2-CD1 3.56Å; F307-I393 HydrophobicContact CD2-CG1 4.13Å; F307-I393 HydrophobicContact CE1-CD1 4.36Å; F307-I393 HydrophobicContact CE1-CG1 4.39Å; F307-I393 HydrophobicContact CE2-CB 3.91Å; F307-I393 HydrophobicContact CE2-CD1 3.58Å; F307-I393 HydrophobicContact CE2-CG1 3.59Å; F307-I393 HydrophobicContact CG-CD1 3.95Å; F307-I393 HydrophobicContact CZ-CB 4.36Å; F307-I393 HydrophobicContact CZ-CD1 3.99Å; F307-I393 HydrophobicContact CZ-CG1 3.73Å; F307-I393 WeakPolarHBondContact CZ-O 3.48Å; T385-I393 WeakPolarHBondContact CA-O 3.18Å; A386-I393 HydrophobicContact CB-CD1 4.31Å; A386-I393 HydrophobicContact CB-CG1 3.88Å; A386-I393 PolarHBondContact N-O 2.89Å; A386-I393 PolarHBondContact O-N 3.14Å |
| 394 | H | 90.1 | Very high | 82.7 | Confident | 88 Ų | 88 | 38 Ų | 38 | 41% | 0.407 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.7 | -176.3 | -51.1 | -83.6 | 0 | 0 | 0 | 109.6 | Q383 C384 T385 | Q383-H394 HydrophobicContact CG-CB 4.37Å; C384-H394 WeakPolarHBondContact O-CA 3.43Å; T385-H394 VanDerWaalsContact CG2-CE1 3.44Å; T385-H394 WeakPolarHBondContact CG2-CE1 3.36Å; T385-H394 VanDerWaalsContact CG2-ND1 3.29Å; T385-H394 WeakPolarHBondContact CG2-ND1 3.37Å; T385-H394 PolarHBondContact OG1-ND1 3.28Å |
| 395 | T | 88.3 | Confident | 80.8 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 18% | 0.178 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 157.1 | 171.8 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | F307 T310 P311 Q383 C384 | F307-T395 HydrophobicContact CD1-CG2 4.08Å; F307-T395 HydrophobicContact CD2-CG2 3.99Å; F307-T395 HydrophobicContact CE1-CG2 3.69Å; F307-T395 HydrophobicContact CE2-CG2 3.59Å; F307-T395 HydrophobicContact CG-CG2 4.24Å; F307-T395 HydrophobicContact CZ-CG2 3.44Å; F307-T395 VanDerWaalsContact CZ-CG2 3.44Å; T310-T395 HydrophobicContact CG2-CG2 4.21Å; P311-T395 HydrophobicContact CG-CG2 3.97Å; Q383-T395 CarbonylContact C-O 3.17Å; Q383-T395 WeakPolarHBondContact CA-O 3.37Å; Q383-T395 WeakPolarHBondContact CG-O 3.28Å; C384-T395 HydrophobicContact CB-CG2 3.82Å; C384-T395 PolarHBondContact N-O 2.94Å; C384-T395 PolarHBondContact O-N 3.46Å |
| 396 | S | 89.7 | Confident | 78.5 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 141.3 | -167.5 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | K381 Y382 | K381-S396 WeakPolarHBondContact CE-OG 3.47Å; K381-S396 PolarHBondContact NZ-OG 2.76Å; K381-S396 VanDerWaalsContact NZ-OG 3.11Å; Y382-S396 CarbonylContact O-C 3.49Å; Y382-S396 VanDerWaalsContact O-CA 3.22Å; Y382-S396 WeakPolarHBondContact O-CA 3.46Å; Y382-S396 VanDerWaalsContact O-CB 3.3Å; Y382-S396 WeakPolarHBondContact O-CB 3.47Å |
| 397 | A | 89.9 | Confident | 76.2 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 157.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P311 D312 F324 Y382 | P311-A397 HydrophobicContact CB-CB 3.91Å; P311-A397 HydrophobicContact CG-CB 4.1Å; D312-A397 VanDerWaalsContact C-CB 3.49Å; D312-A397 VanDerWaalsContact O-CB 3.26Å; D312-A397 WeakPolarHBondContact O-CB 3.33Å; F324-A397 HydrophobicContact CD1-CB 3.73Å; F324-A397 HydrophobicContact CE1-CB 3.56Å; Y382-A397 PolarHBondContact N-O 3.12Å; Y382-A397 PolarHBondContact O-N 3.28Å; Y382-A397 VanDerWaalsContact O-O 3.04Å |
| 398 | T | 90.9 | Very high | 74 | Confident | 36 Ų | 36 | 65 Ų | 65 | 22% | 0.221 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.3 | -172.4 | -42.1 | 0 | 0 | 0 | 0 | 109.4 | D313 L314 G380 | D313-T398 WeakPolarHBondContact OD1-CA 3.22Å; D313-T398 WeakPolarHBondContact OD1-CB 3.38Å; D313-T398 PolarHBondContact OD1-N 2.85Å; D313-T398 PolarHBondContact OD1-OG1 3.48Å; L314-T398 PolarHBondContact N-O 3.09Å; L314-T398 VanDerWaalsContact O-O 3.09Å; G380-T398 CarbonylContact O-C 3.48Å; G380-T398 WeakPolarHBondContact O-CA 3.46Å |
| 399 | L | 90.8 | Very high | 71.8 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.7 | 168.3 | -170.6 | 57.3 | 0 | 0 | 0 | 109.3 | L314 V316 A322 F324 V374 S379 G380 Y382 V401 | L314-L399 HydrophobicContact CB-CD1 3.99Å; L314-L399 CarbonylContact O-C 3.25Å; L314-L399 WeakPolarHBondContact O-CA 3.37Å; V316-L399 HydrophobicContact CB-CD1 4.07Å; V316-L399 HydrophobicContact CG2-CD1 3.88Å; A322-L399 HydrophobicContact CB-CD1 3.68Å; A322-L399 HydrophobicContact CB-CD2 4.27Å; F324-L399 HydrophobicContact CE2-CB 4.34Å; F324-L399 HydrophobicContact CZ-CB 3.91Å; F324-L399 HydrophobicContact CZ-CD1 4.35Å; V374-L399 HydrophobicContact CG1-CD2 4.02Å; V374-L399 HydrophobicContact CG2-CD2 4.4Å; S379-L399 CarbonylContact C-O 3.56Å; S379-L399 WeakPolarHBondContact CA-O 3.29Å; S379-L399 WeakPolarHBondContact CB-O 3.46Å; S379-L399 PolarHBondContact OG-O 2.97Å; G380-L399 PolarHBondContact N-O 3.17Å; G380-L399 PolarHBondContact O-N 2.69Å; Y382-L399 HydrophobicContact CD2-CB 3.96Å; Y382-L399 HydrophobicContact CE2-CB 3.5Å; Y382-L399 HydrophobicContact CE2-CD2 3.89Å; Y382-L399 HydrophobicContact CE2-CG 4.36Å; L399-V401 HydrophobicContact CD2-CG2 4.16Å; L399-V401 HydrophobicContact CG-CG2 3.94Å |
| 400 | H | 87.8 | Confident | 70 | Confident | 97 Ų | 97 | 74.2 Ų | 74.2 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.2 | 170.4 | -69.9 | -66.1 | 0 | 0 | 0 | 109.5 | L314 T315 V316 | L314-H400 PolarHBondContact O-N 2.96Å; T315-H400 CarbonylContact C-O 3.5Å; T315-H400 VanDerWaalsContact CA-O 3.26Å; T315-H400 WeakPolarHBondContact CA-O 3.47Å; T315-H400 HydrophobicContact CG2-CB 3.8Å; T315-H400 WeakPolarHBondContact CG2-O 3.37Å; V316-H400 PolarHBondContact N-O 3.44Å |
| 401 | V | 86.2 | Confident | 68.1 | Low | 11 Ų | 11 | 77.3 Ų | 77.3 | 7% | 0.067 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.9 | -178.4 | -175 | 0 | 0 | 0 | 0 | 110.7 | V316 E318 V374 Q376 S379 L399 | V316-V401 VanDerWaalsContact O-CA 3.31Å; V316-V401 WeakPolarHBondContact O-CA 3.32Å; E318-V401 HydrophobicContact CB-CG1 4.18Å; V374-V401 HydrophobicContact CG1-CB 4.22Å; V374-V401 HydrophobicContact CG1-CG1 3.83Å; V374-V401 HydrophobicContact CG1-CG2 3.33Å; Q376-V401 PolarHBondContact NE2-O 3.38Å; Q376-V401 PolarHBondContact OE1-O 3.4Å; S379-V401 PolarHBondContact OG-N 3.26Å; L399-V401 HydrophobicContact CD2-CG2 4.16Å; L399-V401 HydrophobicContact CG-CG2 3.94Å |
| 402 | I | 77.5 | Confident | 66.3 | Low | 49 Ų | 49 | 79.1 Ų | 79.1 | 25% | 0.251 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.1 | 174.9 | -34.6 | -176.2 | 0 | 0 | 0 | 110.5 | T315 V316 N317 E318 L465 P466 L469 | T315-I402 HydrophobicContact CG2-CD1 3.87Å; T315-I402 HydrophobicContact CG2-CG1 3.92Å; V316-I402 PolarHBondContact O-N 3.43Å; V316-I402 VanDerWaalsContact O-N 3.12Å; N317-I402 VanDerWaalsContact OD1-CB 3.28Å; N317-I402 WeakPolarHBondContact OD1-CB 3.3Å; N317-I402 WeakPolarHBondContact OD1-CD1 3.41Å; N317-I402 WeakPolarHBondContact OD1-CG1 3.37Å; E318-I402 PolarHBondContact N-O 2.9Å; I402-L465 HydrophobicContact CD1-CD2 4.08Å; I402-L465 HydrophobicContact CD1-CG 4.24Å; I402-P466 HydrophobicContact CD1-CG 4.41Å; I402-L469 HydrophobicContact CB-CD1 3.88Å; I402-L469 HydrophobicContact CD1-CD1 4.46Å; I402-L469 HydrophobicContact CG2-CD1 3.49Å; I402-L469 VanDerWaalsContact CG2-CD1 3.49Å |
| 403 | N | 69.8 | Low | 64.2 | Low | 64 Ų | 64 | 85.5 Ų | 85.5 | 34% | 0.342 | 45% | 0.449 | S | S | . | . | trans | -78.5 | 127.3 | -178.2 | -176.9 | -60.1 | 0 | 0 | 0 | 112.3 | E318 S405 | E318-N403 PolarHBondContact OE2-ND2 3.08Å; N403-S405 PolarHBondContact ND2-OG 3.33Å; N403-S405 WeakPolarHBondContact OD1-CA 3.47Å; N403-S405 WeakPolarHBondContact OD1-CB 3.2Å; N403-S405 PolarHBondContact OD1-N 3.17Å; N403-S405 PolarHBondContact OD1-OG 3Å | ||
| 404 | L | 58.9 | Low | 61.9 | Low | 51 Ų | 51 | 90.4 Ų | 90.4 | 27% | 0.267 | 48% | 0.475 | S | S | . | . | trans | -88 | -8.8 | -178.2 | -98.9 | 152.7 | 0 | 0 | 0 | 114.4 | N317 K406 L469 T472 | N317-L404 HydrophobicContact CB-CD1 4.2Å; L404-K406 PolarHBondContact O-N 3.28Å; L404-K406 VanDerWaalsContact O-N 3.16Å; L404-L469 HydrophobicContact CD2-CD2 3.42Å; L404-L469 VanDerWaalsContact CD2-CD2 3.42Å; L404-L469 HydrophobicContact CD2-CG 3.75Å; L404-L469 HydrophobicContact CG-CD2 3.92Å; L404-L469 HydrophobicContact CG-CG 3.86Å; L404-T472 WeakPolarHBondContact CD2-OG1 3.39Å | ||
| 405 | S | 50.3 | Low | 59.3 | Low | 90 Ų | 90 | 91.8 Ų | 91.8 | 63% | 0.629 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 28.8 | -158.8 | 72.4 | 0 | 0 | 0 | 0 | 116.6 | N403 | N403-S405 PolarHBondContact ND2-OG 3.33Å; N403-S405 WeakPolarHBondContact OD1-CA 3.47Å; N403-S405 WeakPolarHBondContact OD1-CB 3.2Å; N403-S405 PolarHBondContact OD1-N 3.17Å; N403-S405 PolarHBondContact OD1-OG 3Å |
| 406 | K | 41 | Very low | 56.8 | Low | 199 Ų | 199 | 100.9 Ų | 100.9 | 87% | 0.865 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129 | 35.1 | 172.4 | -76.1 | -165.4 | 176.5 | -178.1 | 0 | 115.1 | L404 | L404-K406 PolarHBondContact O-N 3.28Å; L404-K406 VanDerWaalsContact O-N 3.16Å |
| 407 | K | 39.8 | Very low | 54 | Low | 125 Ų | 125 | 104.2 Ų | 104.2 | 54% | 0.543 | 55% | 0.546 | S | S | . | . | trans | -152.4 | 69.2 | 167.1 | -118.7 | 163.8 | -177.2 | 176 | 0 | 114.1 | L473 P474 | K407-L473 HydrophobicContact CD-CD2 3.77Å; K407-P474 HydrophobicContact CD-CG 4.25Å | ||
| 408 | K | 36.9 | Very low | 51.5 | Low | 206 Ų | 206 | 112.7 Ų | 112.7 | 90% | 0.896 | 59% | 0.59 | S | S | * | * | trans | -125.6 | 123.3 | 158.7 | -151 | 172.1 | -171.8 | 178.7 | 0 | 107.9 | D410 | K408-D410 PolarHBondContact O-N 2.91Š| ||
| 409 | V | 34.1 | Very low | 48.7 | Very low | 137 Ų | 137 | 115.4 Ų | 115.4 | 83% | 0.83 | 61% | 0.61 | S | S | * | * | trans | -71 | 119.2 | 178 | 176.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 410 | D | 36.8 | Very low | 46.1 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 84% | 0.84 | 65% | 0.649 | S | S | * | * | trans | -111.8 | 132.5 | 151.9 | -153.3 | -17.9 | 0 | 0 | 0 | 107.9 | K408 | K408-D410 PolarHBondContact O-N 2.91Š| ||
| 411 | S | 32.6 | Very low | 43.5 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | trans | -111.1 | 121.4 | -167.4 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 412 | S | 36.1 | Very low | 41 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | trans | 90.5 | 136.3 | 168.6 | 85.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 413 | K | 34.3 | Very low | 38.7 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | trans | 89.9 | 155.1 | 158.1 | -61 | 176.7 | -176.9 | 176 | 0 | 119 | ||||
| 414 | D | 37.5 | Very low | 36.7 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 59.6 | 86.7 | 169.3 | -50.5 | -22.5 | 0 | 0 | 0 | 116 | ||||
| 415 | V | 37 | Very low | 35.3 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | cis | 81.5 | 89.1 | 44.1 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 416 | Y | 34.8 | Very low | 34.1 | Very low | 220 Ų | 220 | 153 Ų | 153 | 86% | 0.863 | 80% | 0.797 | S | S | * | * | trans | 56.5 | 146.1 | 155.1 | -67.5 | -70.3 | 0 | 0 | 0 | 123.1 | ||||
| 417 | S | 31.9 | Very low | 33.4 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 79.8 | 107 | 156.8 | 71.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 418 | L | 35.5 | Very low | 33 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | -155.9 | 151.8 | 101.6 | -98.8 | 162 | 0 | 0 | 0 | 109.3 | |||||
| 419 | S | 33.6 | Very low | 32.7 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -112.7 | 146.4 | -161.4 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 420 | E | 34.6 | Very low | 32.8 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 51.3 | 112.9 | 145.3 | -63.6 | 174.6 | 160.4 | 0 | 0 | 119.2 | ||||
| 421 | N | 33.9 | Very low | 33.5 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | -167.3 | 166.1 | 114.5 | -98.1 | -63.1 | 0 | 0 | 0 | 110.8 | |||||
| 422 | E | 33.4 | Very low | 34.8 | Very low | 169 Ų | 169 | 142 Ų | 142 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 65.6 | 105.3 | 177.5 | -67.5 | -77.6 | 104.3 | 0 | 0 | 117.7 | ||||
| 423 | P | 29.1 | Very low | 36.3 | Very low | 132 Ų | 132 | 141 Ų | 141 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -96 | 85.9 | 175.4 | 35.9 | -32.1 | 0 | 0 | 0 | 113.3 | ||||
| 424 | S | 29.3 | Very low | 38.3 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -104 | 88.2 | 177 | 67 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 425 | Q | 28.3 | Very low | 40.2 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 90% | 0.897 | 68% | 0.681 | S | S | * | * | trans | 37.5 | 85.6 | 157.2 | -64.5 | -177.9 | -10.4 | 0 | 0 | 117.8 | ||||
| 426 | F | 24.6 | Very low | 42.4 | Very low | 221 Ų | 221 | 122.2 Ų | 122.2 | 97% | 0.969 | 65% | 0.646 | S | S | * | * | trans | -65.8 | 130.8 | 152.2 | -90 | -106.8 | 0 | 0 | 0 | 109.7 | ||||
| 427 | S | 28 | Very low | 44.8 | Very low | 115 Ų | 115 | 112 Ų | 112 | 80% | 0.804 | 61% | 0.607 | S | S | * | * | trans | -121.5 | 132.7 | 159.6 | 63.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 428 | S | 31.1 | Very low | 47.4 | Very low | 101 Ų | 101 | 106.8 Ų | 106.8 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | trans | -62.5 | 144 | -172.9 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | N430 | S428-N430 PolarHBondContact O-N 3.45Å; S428-N430 PolarHBondContact O-OD1 2.04Å | ||
| 429 | S | 29.8 | Very low | 49.6 | Very low | 101 Ų | 101 | 98.3 Ų | 98.3 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | trans | -63.7 | 113 | 169.5 | 52.8 | 0 | 0 | 0 | 0 | 111 | F431 | S429-F431 PolarHBondContact O-N 3.46Š| ||
| 430 | N | 37.2 | Very low | 52 | Low | 107 Ų | 107 | 94.3 Ų | 94.3 | 57% | 0.572 | 50% | 0.497 | S | S | * | . | trans | -71.1 | 84.7 | -178.2 | -72.8 | -11.6 | 0 | 0 | 0 | 112.5 | S428 Y432 | S428-N430 PolarHBondContact O-N 3.45Å; S428-N430 PolarHBondContact O-OD1 2.04Å; N430-Y432 HydrophobicContact CB-CD2 4.46Å; N430-Y432 HydrophobicContact CB-CE1 4.27Å; N430-Y432 HydrophobicContact CB-CE2 3.81Å; N430-Y432 PolarHBondContact ND2-OH 2.93Å; N430-Y432 PolarHBondContact O-N 3.2Å | ||
| 431 | F | 49.9 | Very low | 54.5 | Low | 158 Ų | 158 | 86.2 Ų | 86.2 | 69% | 0.693 | 46% | 0.46 | S | S | * | . | trans | -74.9 | 99 | 163.2 | -99 | -91.8 | 0 | 0 | 0 | 109.7 | S429 W433 | S429-F431 PolarHBondContact O-N 3.46Å; F431-W433 PolarHBondContact O-N 3.11Å | ||
| 432 | Y | 61 | Low | 57.1 | Low | 96 Ų | 96 | 78.8 Ų | 78.8 | 38% | 0.376 | 42% | 0.42 | S | S | . | . | trans | -78.2 | 115.8 | 171.6 | -61.7 | -64.8 | 0 | 0 | 0 | 110.2 | N430 P629 I658 | N430-Y432 HydrophobicContact CB-CD2 4.46Å; N430-Y432 HydrophobicContact CB-CE1 4.27Å; N430-Y432 HydrophobicContact CB-CE2 3.81Å; N430-Y432 PolarHBondContact ND2-OH 2.93Å; N430-Y432 PolarHBondContact O-N 3.2Å; Y432-P629 HydrophobicContact CD1-CB 3.5Å; Y432-P629 HydrophobicContact CD1-CG 4.25Å; Y432-P629 HydrophobicContact CE1-CB 4.3Å; Y432-P629 HydrophobicContact CG-CB 4.01Å; Y432-P629 HydrophobicContact CG-CG 4.37Å; Y432-I658 HydrophobicContact CE1-CD1 4.24Å; Y432-I658 HydrophobicContact CE2-CD1 3.78Å; Y432-I658 WeakPolarHBondContact OH-CD1 3.16Å | ||
| 433 | W | 68.3 | Low | 59.4 | Low | 84 Ų | 84 | 71.4 Ų | 71.4 | 32% | 0.318 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 141.2 | 176 | -51.8 | 95.5 | 0 | 0 | 0 | 110.5 | F431 L478 I537 L550 Y627 | F431-W433 PolarHBondContact O-N 3.11Å; W433-L478 HydrophobicContact CH2-CD2 4.5Å; W433-L478 HydrophobicContact CZ3-CD2 4.48Å; W433-I537 HydrophobicContact CB-CD1 3.59Å; W433-I537 HydrophobicContact CD2-CD1 3.95Å; W433-I537 HydrophobicContact CD2-CG2 3.46Å; W433-I537 VanDerWaalsContact CD2-CG2 3.46Å; W433-I537 HydrophobicContact CE3-CD1 3.96Å; W433-I537 HydrophobicContact CE3-CG2 3.67Å; W433-I537 HydrophobicContact CG-CD1 3.8Å; W433-I537 HydrophobicContact CG-CG2 3.98Å; W433-I537 HydrophobicContact CH2-CG2 4.03Å; W433-I537 HydrophobicContact CZ2-CG2 3.85Å; W433-I537 HydrophobicContact CZ3-CG2 3.94Å; W433-L550 HydrophobicContact CB-CD1 4.21Å; W433-Y627 WeakPolarHBondContact O-CE1 3.39Å; W433-Y627 PolarHBondContact O-OH 2.9Å; W433-Y627 VanDerWaalsContact O-OH 3.09Å |
| 434 | L | 74.4 | Confident | 62 | Low | 46 Ų | 46 | 69.2 Ų | 69.2 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 139 | 176.1 | -71.3 | 172.8 | 0 | 0 | 0 | 110.9 | L550 Y627 W636 Y660 | L434-L550 WeakPolarHBondContact O-CD1 3.48Å; L434-Y627 HydrophobicContact CD2-CD1 3.75Å; L434-Y627 HydrophobicContact CD2-CE1 3.97Å; L434-W636 HydrophobicContact CD2-CZ2 4.47Å; L434-Y660 HydrophobicContact CD1-CE1 4.49Å; L434-Y660 HydrophobicContact CD2-CD1 3.83Å; L434-Y660 HydrophobicContact CD2-CD2 4.02Å; L434-Y660 HydrophobicContact CD2-CE1 3.96Å; L434-Y660 HydrophobicContact CD2-CE2 4.15Å; L434-Y660 HydrophobicContact CD2-CG 3.86Å |
| 435 | A | 77.8 | Confident | 64.3 | Low | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 140.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I437 L550 Y627 W636 | A435-I437 PolarHBondContact O-N 2.93Å; A435-L550 HydrophobicContact CB-CB 4.42Å; A435-L550 HydrophobicContact CB-CD1 4.45Å; A435-Y627 HydrophobicContact CB-CD2 4.01Å; A435-Y627 HydrophobicContact CB-CE2 3.63Å; A435-W636 PolarHBondContact O-NE1 3.15Å |
| 436 | P | 82.8 | Confident | 66.9 | Low | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 127.6 | -172.1 | 26.2 | -35.2 | 0 | 0 | 0 | 111.7 | L459 A533 A535 S552 | P436-L459 HydrophobicContact CB-CD2 4.35Å; P436-A533 HydrophobicContact CB-CB 4.1Å; P436-A533 HydrophobicContact CG-CB 4.11Å; P436-A535 HydrophobicContact CG-CB 4.47Å; P436-S552 WeakPolarHBondContact O-CB 2.9Å; P436-S552 PolarHBondContact O-OG 2.74Å; P436-S552 VanDerWaalsContact O-OG 3.12Å |
| 437 | I | 85.9 | Confident | 69.5 | Low | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 121.2 | -176.8 | -60.1 | 171.3 | 0 | 0 | 0 | 109.6 | A435 G439 G460 W636 L662 A675 P678 | A435-I437 PolarHBondContact O-N 2.93Å; I437-G439 PolarHBondContact O-N 2.96Å; I437-G460 PolarHBondContact O-N 2.99Å; I437-W636 HydrophobicContact CD1-CZ2 3.83Å; I437-W636 HydrophobicContact CG1-CZ2 3.93Å; I437-L662 HydrophobicContact CD1-CD2 4.19Å; I437-L662 HydrophobicContact CG1-CD2 4.32Å; I437-L662 HydrophobicContact CG2-CD2 4.06Å; I437-A675 HydrophobicContact CG2-CB 4.18Å; I437-P678 HydrophobicContact CD1-CB 4.07Å; I437-P678 HydrophobicContact CD1-CG 3.84Å |
| 438 | I | 86.2 | Confident | 72.1 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 107.6 | 159.8 | -63.1 | 172.4 | 0 | 0 | 0 | 106.2 | P441 C531 A533 W554 R664 | I438-P441 HydrophobicContact CG2-CB 3.99Å; I438-C531 HydrophobicContact CD1-CB 4.48Å; I438-A533 HydrophobicContact CG1-CB 4.1Å; I438-W554 HydrophobicContact CD1-CB 3.9Å; I438-R664 PolarHBondContact O-NH1 2.89Å; I438-R664 PolarHBondContact O-NH2 2.78Å |
| 439 | G | 82.3 | Confident | 74.6 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -54.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I437 E458 W674 A675 | I437-G439 PolarHBondContact O-N 2.96Å; G439-E458 WeakPolarHBondContact CA-O 3.02Å; G439-E458 PolarHBondContact N-O 3.07Å; G439-W674 WeakPolarHBondContact O-CA 3.48Å; G439-A675 PolarHBondContact O-N 3.22Å |
| 440 | L | 84.8 | Confident | 77 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.5 | 169.3 | -178.5 | 66.7 | 0 | 0 | 0 | 109 | D456 C457 E458 P576 W674 | L440-D456 HydrophobicContact CD2-CB 3.94Å; L440-D456 HydrophobicContact CG-CB 4.09Å; L440-C457 WeakPolarHBondContact O-CA 3.01Å; L440-E458 HydrophobicContact CB-CB 4.48Å; L440-E458 PolarHBondContact N-O 2.89Å; L440-E458 PolarHBondContact O-N 3.44Å; L440-P576 HydrophobicContact CD1-CB 3.61Å; L440-P576 HydrophobicContact CD1-CG 4.25Å; L440-W674 HydrophobicContact CB-CD2 3.97Å; L440-W674 HydrophobicContact CB-CE3 3.91Å; L440-W674 HydrophobicContact CB-CH2 3.91Å; L440-W674 HydrophobicContact CB-CZ2 3.97Å; L440-W674 HydrophobicContact CB-CZ3 3.88Å; L440-W674 HydrophobicContact CD2-CH2 4.39Å; L440-W674 HydrophobicContact CD2-CZ2 3.82Å; L440-W674 HydrophobicContact CG-CZ2 4.42Å |
| 441 | P | 86.9 | Confident | 79.1 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -90.3 | 161.2 | 179.5 | 34.2 | -33.9 | 0 | 0 | 0 | 113.4 | I438 D456 W554 V672 | I438-P441 HydrophobicContact CG2-CB 3.99Å; P441-D456 CarbonylContact C-O 3.57Å; P441-W554 HydrophobicContact CB-CB 4.25Å; P441-W554 HydrophobicContact CB-CD2 3.3Å; P441-W554 HydrophobicContact CB-CE3 3.81Å; P441-W554 HydrophobicContact CB-CG 3.51Å; P441-W554 HydrophobicContact CB-CH2 4.35Å; P441-W554 HydrophobicContact CB-CZ2 3.93Å; P441-W554 HydrophobicContact CB-CZ3 4.3Å; P441-W554 HydrophobicContact CG-CD2 4.01Å; P441-W554 HydrophobicContact CG-CE3 4.26Å; P441-W554 HydrophobicContact CG-CH2 3.97Å; P441-W554 HydrophobicContact CG-CZ2 3.71Å; P441-W554 HydrophobicContact CG-CZ3 4.25Å; P441-V672 HydrophobicContact CG-CB 4.25Å; P441-V672 HydrophobicContact CG-CG1 3.96Å |
| 442 | P | 87.5 | Confident | 80.8 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 135.2 | -178.3 | 26.8 | -31.9 | 0 | 0 | 0 | 111.7 | L455 D456 W485 S556 | P442-L455 HydrophobicContact CB-CB 4.34Å; P442-L455 HydrophobicContact CB-CD2 4.4Å; P442-D456 WeakPolarHBondContact CA-O 3.43Å; P442-D456 WeakPolarHBondContact CB-O 3.46Å; P442-D456 WeakPolarHBondContact CD-O 3.36Å; P442-W485 HydrophobicContact CB-CH2 4.08Å; P442-W485 HydrophobicContact CG-CH2 3.97Å; P442-W485 HydrophobicContact CG-CZ3 4.27Å; P442-S556 WeakPolarHBondContact CB-OG 3.34Å; P442-S556 WeakPolarHBondContact CG-OG 3.33Å; P442-S556 WeakPolarHBondContact O-CB 3.34Å |
| 443 | P | 83.1 | Confident | 81.9 | Confident | 13 Ų | 13 | 31.4 Ų | 31.4 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -80 | 153.5 | 174.1 | 32.5 | -34.3 | 0 | 0 | 0 | 111.9 | Q445 R671 | P443-Q445 PolarHBondContact O-N 2.78Å; P443-R671 HydrophobicContact CB-CG 4.35Å |
| 444 | N | 83 | Confident | 82.8 | Confident | 86 Ų | 86 | 29.6 Ų | 29.6 | 46% | 0.46 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -64.4 | 130.1 | 161.4 | -68.9 | -11.7 | 0 | 0 | 0 | 108.8 | S556 Y557 I571 | N444-S556 WeakPolarHBondContact OD1-CA 3.4Å; N444-Y557 WeakPolarHBondContact CA-O 3.49Å; N444-Y557 PolarHBondContact OD1-N 2.85Å; N444-I571 WeakPolarHBondContact O-CG2 3.46Å |
| 445 | Q | 77.1 | Confident | 83.4 | Confident | 10 Ų | 10 | 27.4 Ų | 27.4 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 138.3 | -177.4 | 60 | -178.8 | -44.4 | 0 | 0 | 113.7 | P443 V453 T454 Y557 L558 D559 | P443-Q445 PolarHBondContact O-N 2.78Å; Q445-V453 VanDerWaalsContact CD-CG2 3.41Å; Q445-V453 HydrophobicContact CG-CG2 4.36Å; Q445-V453 VanDerWaalsContact NE2-CG2 3.3Å; Q445-T454 PolarHBondContact NE2-O 2.89Å; Q445-Y557 PolarHBondContact N-O 2.89Å; Q445-L558 HydrophobicContact CG-CD1 3.97Å; Q445-D559 PolarHBondContact O-N 2.97Å |
| 446 | T | 82.2 | Confident | 83.7 | Confident | 37 Ų | 37 | 28.6 Ų | 28.6 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.4 | 167.6 | -56 | 0 | 0 | 0 | 0 | 109.6 | D559 V561 | T446-D559 CarbonylContact C-O 3.54Å; T446-D559 VanDerWaalsContact CA-O 3.28Å; T446-D559 WeakPolarHBondContact CA-O 3.48Å; T446-D559 HydrophobicContact CG2-CB 4.23Å; T446-V561 HydrophobicContact CG2-CG1 3.8Å; T446-V561 HydrophobicContact CG2-CG2 3.89Å |
| 447 | R | 80.3 | Confident | 83.9 | Confident | 56 Ų | 56 | 28.7 Ų | 28.7 | 21% | 0.211 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 152.8 | -174 | -71.2 | -72.8 | 172.2 | -170.8 | -5.6 | 110.5 | E451 V453 L521 L558 D559 V560 V561 | R447-E451 WeakPolarHBondContact CD-OE2 3.42Å; R447-E451 IonicContact CZ-OE2 3.42Å; R447-E451 IonicContact NE-OE2 3.5Å; R447-E451 IonicContact NH1-OE2 3.23Å; R447-E451 PolarHBondContact NH1-OE2 3.34Å; R447-V453 HydrophobicContact CG-CB 4.16Å; R447-V453 HydrophobicContact CG-CG2 3.97Å; R447-L521 HydrophobicContact CB-CD1 3.45Å; R447-L521 VanDerWaalsContact CB-CD1 3.45Å; R447-L521 HydrophobicContact CG-CD1 3.93Å; R447-L558 HydrophobicContact CB-CD1 4.45Å; R447-L558 HydrophobicContact CG-CD1 4.03Å; R447-D559 PolarHBondContact N-O 3.37Å; R447-V560 CarbonylContact O-C 3.54Å; R447-V560 WeakPolarHBondContact O-CA 3.38Å; R447-V561 WeakPolarHBondContact O-CG2 3.43Å; R447-V561 PolarHBondContact O-N 3.11Å |
| 448 | T | 81.9 | Confident | 83.6 | Confident | 39 Ų | 39 | 30.3 Ų | 30.3 | 24% | 0.239 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 154.4 | 174.6 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | G450 E451 V561 | T448-G450 PolarHBondContact O-N 2.81Å; T448-E451 WeakPolarHBondContact CB-OE1 3.48Å; T448-E451 PolarHBondContact N-OE1 2.93Å; T448-E451 WeakPolarHBondContact O-CB 3.42Å; T448-E451 PolarHBondContact O-N 3.17Å; T448-E451 WeakPolarHBondContact OG1-CG 3.16Å; T448-E451 PolarHBondContact OG1-OE1 3.36Å; T448-V561 WeakPolarHBondContact CA-O 3.13Å; T448-V561 HydrophobicContact CG2-CG2 4.34Å |
| 449 | V | 84.4 | Confident | 83 | Confident | 55 Ų | 55 | 32.7 Ų | 32.7 | 33% | 0.333 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 135.6 | 171.8 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | L521 I523 V560 V561 | V449-L521 CarbonylContact C-O 3.55Å; V449-L521 WeakPolarHBondContact CA-O 3.48Å; V449-L521 WeakPolarHBondContact CG1-O 3.48Å; V449-I523 HydrophobicContact CG2-CD1 4.26Å; V449-I523 HydrophobicContact CG2-CG1 3.47Å; V449-I523 VanDerWaalsContact CG2-CG1 3.47Å; V449-V560 HydrophobicContact CG2-CG1 3.96Å; V449-V561 PolarHBondContact N-O 3.36Å |
| 450 | G | 80.4 | Confident | 81.9 | Confident | 43 Ų | 43 | 33.3 Ų | 33.3 | 44% | 0.443 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -16.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T448 L521 | T448-G450 PolarHBondContact O-N 2.81Å; G450-L521 PolarHBondContact N-O 3.26Å |
| 451 | E | 81.7 | Confident | 80.5 | Confident | 58 Ų | 58 | 38.7 Ų | 38.7 | 27% | 0.271 | 22% | 0.218 | S | C | . | . | trans | -61.8 | 160.3 | 174.8 | -85.9 | -179.8 | -114.8 | 0 | 0 | 113.1 | R447 T448 N520 L521 | R447-E451 WeakPolarHBondContact CD-OE2 3.42Å; R447-E451 IonicContact CZ-OE2 3.42Å; R447-E451 IonicContact NE-OE2 3.5Å; R447-E451 IonicContact NH1-OE2 3.23Å; R447-E451 PolarHBondContact NH1-OE2 3.34Å; T448-E451 WeakPolarHBondContact CB-OE1 3.48Å; T448-E451 PolarHBondContact N-OE1 2.93Å; T448-E451 WeakPolarHBondContact O-CB 3.42Å; T448-E451 PolarHBondContact O-N 3.17Å; T448-E451 WeakPolarHBondContact OG1-CG 3.16Å; T448-E451 PolarHBondContact OG1-OE1 3.36Å; E451-N520 PolarHBondContact O-N 2.76Å; E451-L521 HydrophobicContact CB-CD1 4.19Å; E451-L521 PolarHBondContact O-N 3Å | ||
| 452 | I | 83.8 | Confident | 78.3 | Confident | 104 Ų | 104 | 41.1 Ų | 41.1 | 53% | 0.533 | 23% | 0.233 | S | C | . | . | trans | -99.7 | 121.1 | 162.4 | -55.4 | 174.5 | 0 | 0 | 0 | 107.1 | Q517 I518 | I452-Q517 HydrophobicContact CG2-CG 3.81Å; I452-I518 WeakPolarHBondContact CA-O 3.45Å | ||
| 453 | V | 84.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 147 | 174.5 | 64.7 | 0 | 0 | 0 | 0 | 110.8 | Q445 R447 Q517 I518 L521 L558 | Q445-V453 VanDerWaalsContact CD-CG2 3.41Å; Q445-V453 HydrophobicContact CG-CG2 4.36Å; Q445-V453 VanDerWaalsContact NE2-CG2 3.3Å; R447-V453 HydrophobicContact CG-CB 4.16Å; R447-V453 HydrophobicContact CG-CG2 3.97Å; V453-Q517 WeakPolarHBondContact O-CA 3.21Å; V453-I518 HydrophobicContact CG1-CB 3.79Å; V453-I518 HydrophobicContact CG1-CD1 4.23Å; V453-I518 HydrophobicContact CG1-CG1 4.17Å; V453-I518 PolarHBondContact N-O 2.87Å; V453-I518 PolarHBondContact O-N 2.81Å; V453-L521 HydrophobicContact CB-CD1 3.83Å; V453-L521 HydrophobicContact CB-CG 4.48Å; V453-L521 HydrophobicContact CG1-CD1 3.69Å; V453-L521 HydrophobicContact CG1-CD2 3.75Å; V453-L521 HydrophobicContact CG1-CG 3.9Å; V453-L558 HydrophobicContact CG1-CD1 4.46Å; V453-L558 HydrophobicContact CG1-CD2 4.28Å; V453-L558 HydrophobicContact CG2-CD1 4.21Å |
| 454 | T | 86.4 | Confident | 73 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 29% | 0.288 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.4 | 164 | -53.4 | 0 | 0 | 0 | 0 | 108.4 | Q445 L511 | Q445-T454 PolarHBondContact NE2-O 2.89Å; T454-L511 HydrophobicContact CG2-CD1 3.83Å |
| 455 | L | 87.4 | Confident | 70.5 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 103.1 | 171.3 | -68.9 | 160.7 | 0 | 0 | 0 | 106.6 | P442 C457 W485 S515 L516 I518 Y529 | P442-L455 HydrophobicContact CB-CB 4.34Å; P442-L455 HydrophobicContact CB-CD2 4.4Å; L455-C457 PolarHBondContact O-N 3.02Å; L455-W485 HydrophobicContact CB-CH2 3.54Å; L455-W485 HydrophobicContact CB-CZ2 4.22Å; L455-W485 HydrophobicContact CB-CZ3 3.98Å; L455-W485 HydrophobicContact CD1-CZ3 4.31Å; L455-W485 WeakPolarHBondContact O-CZ2 3.43Å; L455-S515 CarbonylContact O-C 3.56Å; L455-S515 VanDerWaalsContact O-CA 3.3Å; L455-S515 WeakPolarHBondContact O-CA 2.96Å; L455-S515 WeakPolarHBondContact O-CB 3.28Å; L455-L516 HydrophobicContact CB-CB 4.38Å; L455-L516 HydrophobicContact CD1-CD2 4.17Å; L455-L516 PolarHBondContact N-O 2.99Å; L455-L516 PolarHBondContact O-N 3.13Å; L455-I518 HydrophobicContact CD1-CD1 4.14Å; L455-Y529 HydrophobicContact CD1-CD1 3.82Å; L455-Y529 HydrophobicContact CD1-CD2 4.24Å; L455-Y529 HydrophobicContact CD1-CE1 4.39Å; L455-Y529 HydrophobicContact CD1-CG 3.72Å |
| 456 | D | 85.7 | Confident | 68.1 | Low | 26 Ų | 26 | 54.6 Ų | 54.6 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | trans | -58.7 | 128.6 | -177.5 | -55.6 | -32.3 | 0 | 0 | 0 | 110.6 | L440 P441 P442 R671 | L440-D456 HydrophobicContact CD2-CB 3.94Å; L440-D456 HydrophobicContact CG-CB 4.09Å; P441-D456 CarbonylContact C-O 3.57Å; P442-D456 WeakPolarHBondContact CA-O 3.43Å; P442-D456 WeakPolarHBondContact CB-O 3.46Å; P442-D456 WeakPolarHBondContact CD-O 3.36Å; D456-R671 IonicContact OD2-CZ 3.56Å; D456-R671 IonicContact OD2-NH2 3.61Å; D456-R671 PolarHBondContact OD2-NH2 3.09Å | ||
| 457 | C | 85.5 | Confident | 65.4 | Low | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | trans | -152.5 | 95.3 | 161.7 | -166.9 | 0 | 0 | 0 | 0 | 108.9 | L440 L455 W485 G514 S515 C531 | L440-C457 WeakPolarHBondContact O-CA 3.01Å; L455-C457 PolarHBondContact O-N 3.02Å; C457-W485 HydrophobicContact CB-CH2 3.97Å; C457-W485 HydrophobicContact CB-CZ2 3.39Å; C457-G514 CarbonylContact O-C 3.5Å; C457-G514 VanDerWaalsContact O-CA 3.29Å; C457-G514 WeakPolarHBondContact O-CA 3.5Å; C457-S515 PolarHBondContact N-OG 3.02Å; C457-S515 PolarHBondContact O-N 2.89Å; C457-S515 VanDerWaalsContact O-N 3.12Å; C457-C531 HydrophobicContact CB-CB 3.73Å; C457-C531 WeakPolarHBondContact CB-SG 3.3Å; C457-C531 WeakPolarHBondContact SG-CB 3.41Å; C457-C531 CovalentContact SG-SG 2.03Å; C457-C531 PolarHBondContact SG-SG 2.94Å | ||
| 458 | E | 80.5 | Confident | 62.9 | Low | 38 Ų | 38 | 55 Ų | 55 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 136.4 | 178.7 | -57.1 | -159.5 | 179 | 0 | 0 | 110.5 | G439 L440 R513 W674 | G439-E458 WeakPolarHBondContact CA-O 3.02Å; G439-E458 PolarHBondContact N-O 3.07Å; L440-E458 HydrophobicContact CB-CB 4.48Å; L440-E458 PolarHBondContact N-O 2.89Å; L440-E458 PolarHBondContact O-N 3.44Å; E458-R513 HydrophobicContact CG-CB 3.95Å; E458-R513 WeakPolarHBondContact OE1-CD 3.16Å; E458-R513 IonicContact OE1-NH1 3.27Å; E458-R513 WeakPolarHBondContact OE2-CD 3.41Å; E458-R513 IonicContact OE2-CZ 3.43Å; E458-R513 IonicContact OE2-NE 3.46Å; E458-R513 IonicContact OE2-NH1 3.44Å; E458-R513 PolarHBondContact OE2-NH1 3.14Å; E458-W674 HydrophobicContact CB-CH2 4.18Å; E458-W674 HydrophobicContact CB-CZ3 4.35Å; E458-W674 WeakPolarHBondContact OE2-CH2 3.33Å |
| 459 | L | 72.6 | Confident | 60.3 | Low | 56 Ų | 56 | 54.2 Ų | 54.2 | 29% | 0.293 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 134.8 | 174.8 | -78.5 | 157.1 | 0 | 0 | 0 | 111.3 | P436 W481 I483 A533 | P436-L459 HydrophobicContact CB-CD2 4.35Å; L459-W481 HydrophobicContact CD1-CE3 4.03Å; L459-W481 HydrophobicContact CD2-CE3 3.88Å; L459-W481 HydrophobicContact CD2-CZ3 4.04Å; L459-W481 HydrophobicContact CG-CE3 4.45Å; L459-I483 HydrophobicContact CD1-CD1 3.7Å; L459-I483 HydrophobicContact CD1-CG1 4.08Å; L459-I483 HydrophobicContact CG-CD1 3.81Å; L459-I483 HydrophobicContact CG-CG1 4.28Å; L459-A533 HydrophobicContact CD2-CB 4.12Å |
| 460 | G | 60.7 | Low | 57.7 | Low | 13 Ų | 13 | 56.7 Ų | 56.7 | 13% | 0.134 | 35% | 0.346 | C | S | . | . | trans | -68.1 | 153.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I437 T462 | I437-G460 PolarHBondContact O-N 2.99Å; G460-T462 PolarHBondContact O-N 3.1Å | ||
| 461 | L | 54.4 | Low | 55.2 | Low | 121 Ų | 121 | 59.5 Ų | 59.5 | 63% | 0.634 | 36% | 0.36 | S | S | * | . | trans | -70.2 | 97.1 | -177 | -78.4 | 168.3 | 0 | 0 | 0 | 112.3 | R463 | L461-R463 HydrophobicContact CD2-CB 4.28Š| ||
| 462 | T | 41.9 | Very low | 52.6 | Low | 55 Ų | 55 | 60.3 Ų | 60.3 | 34% | 0.337 | 37% | 0.369 | S | S | . | . | trans | -94 | 3.8 | 158.4 | 54.3 | 0 | 0 | 0 | 0 | 113 | G460 G464 W481 | G460-T462 PolarHBondContact O-N 3.1Å; T462-G464 PolarHBondContact O-N 2.98Å; T462-W481 HydrophobicContact CG2-CH2 3.59Å; T462-W481 HydrophobicContact CG2-CZ3 4.31Å; T462-W481 WeakPolarHBondContact OG1-CH2 3.3Å; T462-W481 VanDerWaalsContact OG1-CZ3 3.3Å; T462-W481 WeakPolarHBondContact OG1-CZ3 3.33Å | ||
| 463 | R | 28.2 | Very low | 49.9 | Very low | 192 Ų | 192 | 59.5 Ų | 59.5 | 73% | 0.725 | 37% | 0.365 | S | S | * | . | trans | -72.9 | 68.6 | 163.9 | -70 | -174.7 | 175.2 | -176 | -1 | 109.2 | L461 | L461-R463 HydrophobicContact CD2-CB 4.28Š| ||
| 464 | G | 30.2 | Very low | 47.1 | Very low | 63 Ų | 63 | 63.1 Ų | 63.1 | 65% | 0.649 | 39% | 0.388 | S | S | * | . | trans | -156.4 | 21.5 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T462 | T462-G464 PolarHBondContact O-N 2.98Š| ||
| 465 | L | 31.2 | Very low | 44.3 | Very low | 113 Ų | 113 | 72 Ų | 72 | 59% | 0.592 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -61.7 | 142.9 | 143.9 | -98.2 | 77.2 | 0 | 0 | 0 | 107 | I402 | I402-L465 HydrophobicContact CD1-CD2 4.08Å; I402-L465 HydrophobicContact CD1-CG 4.24Å |
| 466 | P | 26.9 | Very low | 41.4 | Very low | 28 Ų | 28 | 76.2 Ų | 76.2 | 18% | 0.182 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 155.3 | 179.2 | -27.9 | 34.8 | 0 | 0 | 0 | 114.3 | T315 N317 I402 | T315-P466 HydrophobicContact CG2-CG 3.57Å; T315-P466 WeakPolarHBondContact O-CB 3.35Å; T315-P466 WeakPolarHBondContact O-CG 3.46Å; N317-P466 PolarHBondContact ND2-O 3.31Å; I402-P466 HydrophobicContact CD1-CG 4.41Å |
| 467 | G | 24.8 | Very low | 39 | Very low | 45 Ų | 45 | 81.9 Ų | 81.9 | 46% | 0.464 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 158.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N317 E320 | N317-G467 PolarHBondContact ND2-O 2.86Å; E320-G467 VanDerWaalsContact CD-O 3.31Å; E320-G467 VanDerWaalsContact OE1-O 3.07Å |
| 468 | S | 27.2 | Very low | 36.7 | Very low | 58 Ų | 58 | 88 Ų | 88 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -32.5 | -173 | -162.1 | 0 | 0 | 0 | 0 | 117.2 | E320 | E320-S468 WeakPolarHBondContact OE1-CB 3.17Š|
| 469 | L | 27.9 | Very low | 35 | Very low | 21 Ų | 21 | 87.9 Ų | 87.9 | 11% | 0.11 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -84.9 | -19.7 | 178.4 | -99.7 | 164.7 | 0 | 0 | 0 | 115.6 | N317 I402 L404 S471 L473 | N317-L469 WeakPolarHBondContact ND2-CB 3.34Å; N317-L469 PolarHBondContact ND2-N 3.04Å; N317-L469 VanDerWaalsContact ND2-N 3.15Å; I402-L469 HydrophobicContact CB-CD1 3.88Å; I402-L469 HydrophobicContact CD1-CD1 4.46Å; I402-L469 HydrophobicContact CG2-CD1 3.49Å; I402-L469 VanDerWaalsContact CG2-CD1 3.49Å; L404-L469 HydrophobicContact CD2-CD2 3.42Å; L404-L469 VanDerWaalsContact CD2-CD2 3.42Å; L404-L469 HydrophobicContact CD2-CG 3.75Å; L404-L469 HydrophobicContact CG-CD2 3.92Å; L404-L469 HydrophobicContact CG-CG 3.86Å; L469-S471 PolarHBondContact O-N 3.32Å; L469-S471 VanDerWaalsContact O-N 3.17Å; L469-L473 HydrophobicContact CD2-CD1 4.48Å |
| 470 | A | 29 | Very low | 34.1 | Very low | 107 Ų | 107 | 92.2 Ų | 92.2 | 88% | 0.884 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -74.7 | -1.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 471 | S | 28.1 | Very low | 34.3 | Very low | 103 Ų | 103 | 96 Ų | 96 | 72% | 0.72 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -116.7 | -3.9 | -174.4 | 55.1 | 0 | 0 | 0 | 0 | 114.8 | L469 | L469-S471 PolarHBondContact O-N 3.32Å; L469-S471 VanDerWaalsContact O-N 3.17Å |
| 472 | T | 27.3 | Very low | 35.2 | Very low | 75 Ų | 75 | 93 Ų | 93 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | -4 | -171.3 | 49.6 | 0 | 0 | 0 | 0 | 114.8 | L404 | L404-T472 WeakPolarHBondContact CD2-OG1 3.39Š|
| 473 | L | 27 | Very low | 36.9 | Very low | 87 Ų | 87 | 91.9 Ų | 91.9 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -82.7 | 129.6 | 168.7 | -75.6 | 165.6 | 0 | 0 | 0 | 110.3 | K407 L469 Y475 | K407-L473 HydrophobicContact CD-CD2 3.77Å; L469-L473 HydrophobicContact CD2-CD1 4.48Å; L473-Y475 PolarHBondContact O-N 2.9Å |
| 474 | P | 26.5 | Very low | 39.4 | Very low | 76 Ų | 76 | 83.8 Ų | 83.8 | 49% | 0.494 | 50% | 0.504 | S | S | . | . | trans | -64.2 | 134.5 | 176.5 | 26.3 | -33.2 | 0 | 0 | 0 | 111 | K407 S476 | K407-P474 HydrophobicContact CD-CG 4.25Å; P474-S476 PolarHBondContact O-N 2.71Å; P474-S476 VanDerWaalsContact O-N 3.16Å | ||
| 475 | Y | 26.7 | Very low | 42.2 | Very low | 234 Ų | 234 | 81 Ų | 81 | 92% | 0.918 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -84 | 81.1 | -170.8 | -169.9 | -87.3 | 0 | 0 | 0 | 110.2 | L473 | L473-Y475 PolarHBondContact O-N 2.9Š|
| 476 | S | 27.9 | Very low | 44.7 | Very low | 88 Ų | 88 | 78 Ų | 78 | 62% | 0.615 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -153.3 | -49.2 | -177.7 | 55.7 | 0 | 0 | 0 | 0 | 117.9 | P474 | P474-S476 PolarHBondContact O-N 2.71Å; P474-S476 VanDerWaalsContact O-N 3.16Å |
| 477 | D | 34 | Very low | 47.5 | Very low | 145 Ų | 145 | 78.5 Ų | 78.5 | 78% | 0.775 | 45% | 0.453 | S | S | * | . | trans | -122.6 | 20.5 | -153.8 | -68.3 | -75.8 | 0 | 0 | 0 | 117.9 | ||||
| 478 | L | 37.8 | Very low | 50 | Low | 129 Ų | 129 | 77.7 Ų | 77.7 | 68% | 0.675 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -116.6 | 82.7 | -175.2 | -83.7 | 162.1 | 0 | 0 | 0 | 114.1 | W433 | W433-L478 HydrophobicContact CH2-CD2 4.5Å; W433-L478 HydrophobicContact CZ3-CD2 4.48Å |
| 479 | S | 44.8 | Very low | 51.8 | Low | 37 Ų | 37 | 76.2 Ų | 76.2 | 26% | 0.259 | 43% | 0.429 | S | S | . | . | trans | 52.1 | 106 | 170.2 | 63.7 | 0 | 0 | 0 | 0 | 116.1 | W481 V536 | S479-W481 PolarHBondContact O-N 2.86Å; S479-W481 VanDerWaalsContact O-N 3.11Å; S479-V536 WeakPolarHBondContact CB-O 3.42Å | ||
| 480 | D | 53.7 | Low | 53.3 | Low | 147 Ų | 147 | 84.3 Ų | 84.3 | 79% | 0.786 | 46% | 0.463 | S | S | * | . | trans | -61.4 | 116 | 169.5 | -71.9 | -53.8 | 0 | 0 | 0 | 111 | ||||
| 481 | W | 65 | Low | 54.8 | Low | 92 Ų | 92 | 86.1 Ų | 86.1 | 35% | 0.348 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 116.5 | 172.1 | -75.6 | 22.7 | 0 | 0 | 0 | 108.6 | L459 T462 S479 K534 A535 | L459-W481 HydrophobicContact CD1-CE3 4.03Å; L459-W481 HydrophobicContact CD2-CE3 3.88Å; L459-W481 HydrophobicContact CD2-CZ3 4.04Å; L459-W481 HydrophobicContact CG-CE3 4.45Å; T462-W481 HydrophobicContact CG2-CH2 3.59Å; T462-W481 HydrophobicContact CG2-CZ3 4.31Å; T462-W481 WeakPolarHBondContact OG1-CH2 3.3Å; T462-W481 VanDerWaalsContact OG1-CZ3 3.3Å; T462-W481 WeakPolarHBondContact OG1-CZ3 3.33Å; S479-W481 PolarHBondContact O-N 2.86Å; S479-W481 VanDerWaalsContact O-N 3.11Å; W481-K534 WeakPolarHBondContact CA-O 3.17Å; W481-A535 HydrophobicContact CG-CB 4.42Å |
| 482 | S | 74 | Confident | 56.3 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 40% | 0.399 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 142.3 | -176.8 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | A533 K534 | S482-A533 CarbonylContact O-C 3.6Å; S482-A533 WeakPolarHBondContact O-CA 3.48Å; S482-K534 PolarHBondContact N-O 3.42Å; S482-K534 PolarHBondContact O-N 3.47Å |
| 483 | I | 77.5 | Confident | 58 | Low | 32 Ų | 32 | 84.1 Ų | 84.1 | 16% | 0.164 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 117.3 | 174.7 | -60.3 | 171 | 0 | 0 | 0 | 107.1 | L459 R513 G514 C531 | L459-I483 HydrophobicContact CD1-CD1 3.7Å; L459-I483 HydrophobicContact CD1-CG1 4.08Å; L459-I483 HydrophobicContact CG-CD1 3.81Å; L459-I483 HydrophobicContact CG-CG1 4.28Å; I483-R513 VanDerWaalsContact CD1-O 3.27Å; I483-R513 WeakPolarHBondContact CD1-O 3.31Å; I483-G514 VanDerWaalsContact CD1-CA 3.43Å; I483-C531 VanDerWaalsContact CG2-SG 3.53Å |
| 484 | G | 80.9 | Confident | 59.8 | Low | 22 Ų | 22 | 87.3 Ų | 87.3 | 23% | 0.227 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 154.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L532 | G484-L532 PolarHBondContact N-O 3.32Å; G484-L532 PolarHBondContact O-N 3.31Å |
| 485 | W | 87.4 | Confident | 62.1 | Low | 4 Ų | 4 | 86.8 Ų | 86.8 | 2% | 0.015 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 137.2 | 172.9 | -75.6 | 86.4 | 0 | 0 | 0 | 110.9 | P442 L455 C457 I497 G514 L516 T530 C531 | P442-W485 HydrophobicContact CB-CH2 4.08Å; P442-W485 HydrophobicContact CG-CH2 3.97Å; P442-W485 HydrophobicContact CG-CZ3 4.27Å; L455-W485 HydrophobicContact CB-CH2 3.54Å; L455-W485 HydrophobicContact CB-CZ2 4.22Å; L455-W485 HydrophobicContact CB-CZ3 3.98Å; L455-W485 HydrophobicContact CD1-CZ3 4.31Å; L455-W485 WeakPolarHBondContact O-CZ2 3.43Å; C457-W485 HydrophobicContact CB-CH2 3.97Å; C457-W485 HydrophobicContact CB-CZ2 3.39Å; W485-I497 HydrophobicContact CB-CB 4.2Å; W485-I497 HydrophobicContact CB-CD1 3.95Å; W485-I497 HydrophobicContact CB-CG1 4.26Å; W485-I497 PolarHBondContact O-N 3.37Å; W485-G514 PolarHBondContact NE1-O 3.11Å; W485-L516 HydrophobicContact CB-CD2 4.19Å; W485-L516 HydrophobicContact CD2-CB 3.73Å; W485-L516 HydrophobicContact CD2-CD2 3.94Å; W485-L516 HydrophobicContact CD2-CG 4.46Å; W485-L516 VanDerWaalsContact CE2-CB 3.44Å; W485-L516 HydrophobicContact CE3-CB 4.32Å; W485-L516 HydrophobicContact CE3-CD2 4.1Å; W485-L516 HydrophobicContact CG-CB 4.04Å; W485-L516 HydrophobicContact CG-CD2 3.99Å; W485-L516 HydrophobicContact CH2-CB 4.36Å; W485-L516 HydrophobicContact CZ2-CB 3.77Å; W485-T530 WeakPolarHBondContact CA-O 3.42Å; W485-C531 HydrophobicContact CD2-CB 4.25Å; W485-C531 HydrophobicContact CE3-CB 4.17Å; W485-C531 HydrophobicContact CH2-CB 3.83Å; W485-C531 HydrophobicContact CZ2-CB 3.91Å; W485-C531 HydrophobicContact CZ3-CB 3.96Å |
| 486 | Y | 85.4 | Confident | 64.5 | Low | 52 Ų | 52 | 79 Ų | 79 | 20% | 0.204 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 141.9 | 173.4 | -62.9 | -100.8 | 0 | 0 | 0 | 109.8 | E495 N496 Y529 T530 L532 K534 | Y486-E495 CarbonylContact C-O 3.5Å; Y486-E495 WeakPolarHBondContact CA-O 3.3Å; Y486-N496 HydrophobicContact CD1-CB 4.11Å; Y486-N496 HydrophobicContact CE1-CB 3.86Å; Y486-N496 WeakPolarHBondContact CE1-OD1 3.36Å; Y486-Y529 CarbonylContact O-C 3.56Å; Y486-Y529 WeakPolarHBondContact O-CA 3.41Å; Y486-T530 PolarHBondContact N-O 3.42Å; Y486-T530 PolarHBondContact O-N 2.6Å; Y486-L532 HydrophobicContact CD2-CB 4.14Å; Y486-L532 HydrophobicContact CD2-CD2 4.15Å; Y486-L532 HydrophobicContact CE2-CB 3.92Å; Y486-L532 HydrophobicContact CE2-CD2 3.38Å; Y486-L532 HydrophobicContact CE2-CG 4.26Å; Y486-K534 PolarHBondContact OH-NZ 3.09Å |
| 487 | R | 85 | Confident | 66.7 | Low | 38 Ų | 38 | 75.4 Ų | 75.4 | 14% | 0.143 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.8 | 174.5 | -171.4 | 178.7 | 174.8 | -146.1 | -19.3 | 109.5 | K494 E495 I497 E524 D525 S526 Y529 | R487-K494 CarbonylContact O-C 3.56Å; R487-K494 WeakPolarHBondContact O-CA 3.47Å; R487-E495 PolarHBondContact N-O 3.11Å; R487-E495 PolarHBondContact O-N 3.14Å; R487-I497 HydrophobicContact CB-CD1 4.14Å; R487-I497 HydrophobicContact CB-CG1 4.24Å; R487-E524 PolarHBondContact NH1-O 3Å; R487-E524 PolarHBondContact NH2-O 2.8Å; R487-D525 PolarHBondContact NE-O 2.62Å; R487-D525 PolarHBondContact NH2-O 3.36Å; R487-D525 VanDerWaalsContact NH2-O 3.14Å; R487-S526 PolarHBondContact NH2-O 2.97Å; R487-Y529 HydrophobicContact CB-CD1 4.48Å; R487-Y529 HydrophobicContact CB-CE1 4.28Å; R487-Y529 WeakPolarHBondContact CD-OH 3.46Å; R487-Y529 HydrophobicContact CG-CD1 4.39Å; R487-Y529 HydrophobicContact CG-CE1 3.93Å; R487-Y529 HydrophobicContact CG-CE2 4.39Å; R487-Y529 PolarHBondContact NE-OH 3.13Å; R487-Y529 VanDerWaalsContact NE-OH 3.15Å |
| 488 | S | 77.7 | Confident | 68.3 | Low | 28 Ų | 28 | 71 Ų | 71 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.4 | 166.2 | -171 | 0 | 0 | 0 | 0 | 109.6 | V493 N528 | S488-V493 WeakPolarHBondContact CA-O 3.34Å; S488-N528 PolarHBondContact N-O 3.41Å |
| 489 | T | 64.4 | Low | 69.6 | Low | 26 Ų | 26 | 68.4 Ų | 68.4 | 16% | 0.16 | 36% | 0.363 | C | S | . | . | trans | -70.7 | 172.8 | 163.5 | 72.2 | 0 | 0 | 0 | 0 | 110.5 | D491 G492 V493 E495 | T489-D491 PolarHBondContact O-N 2.81Å; T489-D491 PolarHBondContact OG1-N 3.26Å; T489-G492 PolarHBondContact O-N 2.85Å; T489-G492 VanDerWaalsContact O-N 3.12Å; T489-V493 HydrophobicContact CG2-CB 4.43Å; T489-V493 PolarHBondContact N-O 3.35Å; T489-V493 PolarHBondContact OG1-N 3.19Å; T489-E495 HydrophobicContact CG2-CG 3.9Å; T489-E495 WeakPolarHBondContact CG2-OE1 3.42Å | ||
| 490 | K | 59.2 | Low | 70.3 | Confident | 192 Ų | 192 | 71.5 Ų | 71.5 | 84% | 0.835 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.7 | 175.5 | -70.5 | -178.2 | 177.6 | 176.2 | 0 | 112.9 | G492 | K490-G492 VanDerWaalsContact C-N 3.25Å; K490-G492 PolarHBondContact O-N 2.88Å |
| 491 | D | 59.8 | Low | 70.3 | Confident | 145 Ų | 145 | 69.3 Ų | 69.3 | 78% | 0.775 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6.9 | 177.7 | -47.5 | -69.8 | 0 | 0 | 0 | 112.9 | T489 V493 | T489-D491 PolarHBondContact O-N 2.81Å; T489-D491 PolarHBondContact OG1-N 3.26Å; D491-V493 HydrophobicContact CB-CG2 4.35Å; D491-V493 PolarHBondContact O-N 3.19Å |
| 492 | G | 60.9 | Low | 69.5 | Low | 51 Ų | 51 | 71.5 Ų | 71.5 | 53% | 0.526 | 39% | 0.391 | S | S | . | . | S | Bend | trans | 76.4 | 4.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T489 K490 K494 | T489-G492 PolarHBondContact O-N 2.85Å; T489-G492 VanDerWaalsContact O-N 3.12Å; K490-G492 VanDerWaalsContact C-N 3.25Å; K490-G492 PolarHBondContact O-N 2.88Å; G492-K494 PolarHBondContact O-N 2.86Å |
| 493 | V | 62.9 | Low | 68.3 | Low | 85 Ų | 85 | 74.9 Ų | 74.9 | 52% | 0.515 | 41% | 0.412 | S | S | . | . | trans | -71 | 128.1 | 176.9 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | S488 T489 D491 E495 | S488-V493 WeakPolarHBondContact CA-O 3.34Å; T489-V493 HydrophobicContact CG2-CB 4.43Å; T489-V493 PolarHBondContact N-O 3.35Å; T489-V493 PolarHBondContact OG1-N 3.19Å; D491-V493 HydrophobicContact CB-CG2 4.35Å; D491-V493 PolarHBondContact O-N 3.19Å; V493-E495 PolarHBondContact O-N 3.38Å | ||
| 494 | K | 65 | Low | 67.3 | Low | 154 Ų | 154 | 78.1 Ų | 78.1 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 96.6 | 174.2 | -68.7 | -173.5 | 179.3 | -175.7 | 0 | 110.2 | R487 G492 | R487-K494 CarbonylContact O-C 3.56Å; R487-K494 WeakPolarHBondContact O-CA 3.47Å; G492-K494 PolarHBondContact O-N 2.86Å |
| 495 | E | 73.9 | Confident | 66.4 | Low | 64 Ų | 64 | 79.5 Ų | 79.5 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 137.8 | 167.7 | -68.1 | 178.8 | -177.7 | 0 | 0 | 109.8 | Y486 R487 T489 V493 Y504 | Y486-E495 CarbonylContact C-O 3.5Å; Y486-E495 WeakPolarHBondContact CA-O 3.3Å; R487-E495 PolarHBondContact N-O 3.11Å; R487-E495 PolarHBondContact O-N 3.14Å; T489-E495 HydrophobicContact CG2-CG 3.9Å; T489-E495 WeakPolarHBondContact CG2-OE1 3.42Å; V493-E495 PolarHBondContact O-N 3.38Å; E495-Y504 PolarHBondContact OE2-OH 2.94Å |
| 496 | N | 76.7 | Confident | 65.4 | Low | 70 Ų | 70 | 87.3 Ų | 87.3 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 123.8 | 168.5 | -178 | 61.5 | 0 | 0 | 0 | 108.1 | Y486 D498 | Y486-N496 HydrophobicContact CD1-CB 4.11Å; Y486-N496 HydrophobicContact CE1-CB 3.86Å; Y486-N496 WeakPolarHBondContact CE1-OD1 3.36Å; N496-D498 PolarHBondContact O-N 3.16Å |
| 497 | I | 75.8 | Confident | 65.4 | Low | 14 Ų | 14 | 85.7 Ų | 85.7 | 7% | 0.072 | 46% | 0.455 | C | S | . | . | trans | -79.4 | 77.2 | 179.6 | -48.8 | -177.9 | 0 | 0 | 0 | 108.3 | W485 R487 I499 Y508 L516 Y529 | W485-I497 HydrophobicContact CB-CB 4.2Å; W485-I497 HydrophobicContact CB-CD1 3.95Å; W485-I497 HydrophobicContact CB-CG1 4.26Å; W485-I497 PolarHBondContact O-N 3.37Å; R487-I497 HydrophobicContact CB-CD1 4.14Å; R487-I497 HydrophobicContact CB-CG1 4.24Å; I497-I499 HydrophobicContact CG2-CD1 4.35Å; I497-I499 HydrophobicContact CG2-CG1 4.12Å; I497-I499 PolarHBondContact O-N 3.28Å; I497-I499 VanDerWaalsContact O-N 3.11Å; I497-Y508 HydrophobicContact CD1-CD1 4.37Å; I497-Y508 HydrophobicContact CD1-CE1 4.33Å; I497-Y508 HydrophobicContact CG2-CD1 4.15Å; I497-Y508 HydrophobicContact CG2-CG 4.43Å; I497-L516 HydrophobicContact CD1-CD2 3.63Å; I497-Y529 HydrophobicContact CD1-CD1 4.01Å; I497-Y529 HydrophobicContact CD1-CE1 3.93Å | ||
| 498 | D | 66.1 | Low | 65.3 | Low | 51 Ų | 51 | 84.9 Ų | 84.9 | 27% | 0.273 | 45% | 0.452 | S | S | . | . | trans | -82.2 | 85.4 | -176.3 | -172.2 | 7 | 0 | 0 | 0 | 111.6 | N496 S500 N501 | N496-D498 PolarHBondContact O-N 3.16Å; D498-S500 PolarHBondContact O-N 3.46Å; D498-S500 WeakPolarHBondContact OD1-CB 3.31Å; D498-S500 PolarHBondContact OD1-N 3.02Å; D498-S500 PolarHBondContact OD1-OG 2.92Å; D498-N501 PolarHBondContact O-N 2.9Å; D498-N501 PolarHBondContact OD2-ND2 3.45Å | ||
| 499 | I | 65 | Low | 65.5 | Low | 75 Ų | 75 | 86.4 Ų | 86.4 | 39% | 0.385 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10.5 | -179 | -65.2 | 164.4 | 0 | 0 | 0 | 112.1 | I497 N501 L510 L516 | I497-I499 HydrophobicContact CG2-CD1 4.35Å; I497-I499 HydrophobicContact CG2-CG1 4.12Å; I497-I499 PolarHBondContact O-N 3.28Å; I497-I499 VanDerWaalsContact O-N 3.11Å; I499-N501 VanDerWaalsContact C-N 3.29Å; I499-N501 PolarHBondContact O-N 3.37Å; I499-L510 HydrophobicContact CD1-CB 3.8Å; I499-L516 HydrophobicContact CD1-CD1 4.08Å |
| 500 | S | 59.5 | Low | 66.1 | Low | 103 Ų | 103 | 88.9 Ų | 88.9 | 72% | 0.72 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.5 | 171.5 | -25.5 | 0 | 0 | 0 | 0 | 113.2 | D498 | D498-S500 PolarHBondContact O-N 3.46Å; D498-S500 WeakPolarHBondContact OD1-CB 3.31Å; D498-S500 PolarHBondContact OD1-N 3.02Å; D498-S500 PolarHBondContact OD1-OG 2.92Å |
| 501 | N | 53.4 | Low | 67 | Low | 100 Ų | 100 | 82.3 Ų | 82.3 | 54% | 0.535 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -118.4 | 102.6 | -167.8 | -84.2 | -56.9 | 0 | 0 | 0 | 112.7 | D498 I499 Y504 | D498-N501 PolarHBondContact O-N 2.9Å; D498-N501 PolarHBondContact OD2-ND2 3.45Å; I499-N501 VanDerWaalsContact C-N 3.29Å; I499-N501 PolarHBondContact O-N 3.37Å; N501-Y504 PolarHBondContact O-N 2.94Å |
| 502 | L | 48.1 | Very low | 67.3 | Low | 138 Ų | 138 | 82.1 Ų | 82.1 | 72% | 0.723 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 144.4 | 162 | -79.6 | 95.5 | 0 | 0 | 0 | 110.3 | ||
| 503 | P | 50.1 | Low | 67.6 | Low | 129 Ų | 129 | 87.4 Ų | 87.4 | 84% | 0.838 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -107.6 | 62 | 11.5 | 40.3 | -33 | 0 | 0 | 0 | 113.7 | ||
| 504 | Y | 55.3 | Low | 68.1 | Low | 100 Ų | 100 | 83.5 Ų | 83.5 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -62.8 | 151.2 | 154.7 | -113.6 | -95.4 | 0 | 0 | 0 | 110.3 | E495 N501 Q506 | E495-Y504 PolarHBondContact OE2-OH 2.94Å; N501-Y504 PolarHBondContact O-N 2.94Å; Y504-Q506 PolarHBondContact O-N 2.85Å |
| 505 | D | 62 | Low | 68.9 | Low | 50 Ų | 50 | 76.4 Ų | 76.4 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | trans | -58.7 | 123.8 | -168.7 | -170.6 | -25.2 | 0 | 0 | 0 | 111.7 | R507 Y508 R522 | D505-R507 VanDerWaalsContact CG-NE 3.28Å; D505-R507 PolarHBondContact O-N 2.88Å; D505-R507 WeakPolarHBondContact OD1-CB 3.43Å; D505-R507 VanDerWaalsContact OD1-CG 3.26Å; D505-R507 WeakPolarHBondContact OD1-CG 3.46Å; D505-R507 PolarHBondContact OD1-N 2.93Å; D505-R507 IonicContact OD1-NE 2.75Å; D505-R507 PolarHBondContact OD1-NE 2.87Å; D505-R507 VanDerWaalsContact OD1-NE 3.16Å; D505-R507 IonicContact OD2-CZ 3.37Å; D505-R507 VanDerWaalsContact OD2-CZ 3.26Å; D505-R507 IonicContact OD2-NE 2.84Å; D505-R507 PolarHBondContact OD2-NE 2.66Å; D505-R507 IonicContact OD2-NH2 3.6Å; D505-R507 PolarHBondContact OD2-NH2 2.8Å; D505-Y508 HydrophobicContact CB-CD2 4.01Å; D505-Y508 HydrophobicContact CB-CE2 4.12Å; D505-Y508 PolarHBondContact O-N 3.3Å; D505-Y508 VanDerWaalsContact O-N 3.14Å; D505-R522 IonicContact OD1-NH2 3.01Å; D505-R522 IonicContact OD2-CZ 2.68Å; D505-R522 IonicContact OD2-NH1 2.64Å; D505-R522 PolarHBondContact OD2-NH1 2.98Å; D505-R522 IonicContact OD2-NH2 2.83Å; D505-R522 PolarHBondContact OD2-NH2 3.34Å | ||
| 506 | Q | 68.2 | Low | 69.5 | Low | 169 Ų | 169 | 73.3 Ų | 73.3 | 79% | 0.79 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -9.9 | -176.6 | -71.4 | -175.1 | -20.5 | 0 | 0 | 114.2 | Y504 Y508 | Y504-Q506 PolarHBondContact O-N 2.85Å; Q506-Y508 VanDerWaalsContact C-N 3.32Å |
| 507 | R | 83.8 | Confident | 70 | Confident | 17 Ų | 17 | 72.8 Ų | 72.8 | 6% | 0.064 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -23.2 | 176.3 | -70.4 | -178 | -49.1 | 118.4 | 6.7 | 114.6 | D505 I518 S519 N520 R522 D525 | D505-R507 VanDerWaalsContact CG-NE 3.28Å; D505-R507 PolarHBondContact O-N 2.88Å; D505-R507 WeakPolarHBondContact OD1-CB 3.43Å; D505-R507 VanDerWaalsContact OD1-CG 3.26Å; D505-R507 WeakPolarHBondContact OD1-CG 3.46Å; D505-R507 PolarHBondContact OD1-N 2.93Å; D505-R507 IonicContact OD1-NE 2.75Å; D505-R507 PolarHBondContact OD1-NE 2.87Å; D505-R507 VanDerWaalsContact OD1-NE 3.16Å; D505-R507 IonicContact OD2-CZ 3.37Å; D505-R507 VanDerWaalsContact OD2-CZ 3.26Å; D505-R507 IonicContact OD2-NE 2.84Å; D505-R507 PolarHBondContact OD2-NE 2.66Å; D505-R507 IonicContact OD2-NH2 3.6Å; D505-R507 PolarHBondContact OD2-NH2 2.8Å; R507-I518 WeakPolarHBondContact O-CA 3.07Å; R507-S519 WeakPolarHBondContact CA-OG 3.25Å; R507-S519 VanDerWaalsContact CB-O 3.25Å; R507-S519 WeakPolarHBondContact CB-O 3.29Å; R507-S519 VanDerWaalsContact CD-O 3.26Å; R507-S519 WeakPolarHBondContact CD-O 3.4Å; R507-S519 VanDerWaalsContact CG-O 3.29Å; R507-S519 WeakPolarHBondContact CG-O 3.16Å; R507-S519 PolarHBondContact O-N 2.82Å; R507-S519 PolarHBondContact O-OG 2.8Å; R507-N520 WeakPolarHBondContact CD-O 3.16Å; R507-N520 PolarHBondContact NH1-O 3.42Å; R507-R522 VanDerWaalsContact NE-CZ 3.33Å; R507-D525 IonicContact CZ-OD1 3.7Å; R507-D525 IonicContact CZ-OD2 3.5Å; R507-D525 IonicContact NH1-OD1 2.7Å; R507-D525 IonicContact NH1-OD2 3.44Å; R507-D525 PolarHBondContact NH1-OD2 3Å; R507-D525 IonicContact NH2-OD1 2.85Å; R507-D525 PolarHBondContact NH2-OD1 3.03Å; R507-D525 IonicContact NH2-OD2 2.71Å; R507-D525 PolarHBondContact NH2-OD2 2.99Å |
| 508 | Y | 82.9 | Confident | 70.6 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 9% | 0.086 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 133.5 | -177.3 | -68 | -97.6 | 0 | 0 | 0 | 111.3 | I497 D505 Q506 L516 I518 D525 Y529 | I497-Y508 HydrophobicContact CD1-CD1 4.37Å; I497-Y508 HydrophobicContact CD1-CE1 4.33Å; I497-Y508 HydrophobicContact CG2-CD1 4.15Å; I497-Y508 HydrophobicContact CG2-CG 4.43Å; D505-Y508 HydrophobicContact CB-CD2 4.01Å; D505-Y508 HydrophobicContact CB-CE2 4.12Å; D505-Y508 PolarHBondContact O-N 3.3Å; D505-Y508 VanDerWaalsContact O-N 3.14Å; Q506-Y508 VanDerWaalsContact C-N 3.32Å; Y508-L516 HydrophobicContact CD1-CD1 4.29Å; Y508-L516 HydrophobicContact CD1-CD2 4.33Å; Y508-I518 HydrophobicContact CD1-CD1 4.17Å; Y508-I518 HydrophobicContact CD1-CG1 3.82Å; Y508-I518 HydrophobicContact CD1-CG2 4.33Å; Y508-I518 HydrophobicContact CE1-CD1 3.61Å; Y508-I518 HydrophobicContact CE1-CG1 3.77Å; Y508-I518 HydrophobicContact CE1-CG2 4.08Å; Y508-I518 HydrophobicContact CE2-CG2 4.4Å; Y508-D525 PolarHBondContact OH-OD1 2.94Å; Y508-Y529 HydrophobicContact CE1-CE1 4.11Å; Y508-Y529 PolarHBondContact OH-OH 2.58Å |
| 509 | T | 82.1 | Confident | 71.4 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 37% | 0.368 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.5 | -177.6 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | Q517 | T509-Q517 PolarHBondContact N-O 2.93Å; T509-Q517 PolarHBondContact O-N 2.83Å |
| 510 | L | 76.6 | Confident | 72.3 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 40% | 0.403 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 124.8 | 174 | -163.6 | 68.3 | 0 | 0 | 0 | 109.9 | I499 G514 | I499-L510 HydrophobicContact CD1-CB 3.8Å; L510-G514 VanDerWaalsContact CD1-O 3.27Å; L510-G514 WeakPolarHBondContact CD1-O 3.48Å |
| 511 | L | 78.7 | Confident | 73.5 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 29% | 0.288 | 35% | 0.352 | S | S | . | . | trans | -82.8 | 153.7 | 176.3 | -60.3 | 179 | 0 | 0 | 0 | 110.9 | T454 R513 G514 S515 Q517 | T454-L511 HydrophobicContact CG2-CD1 3.83Å; L511-R513 PolarHBondContact O-N 2.85Å; L511-G514 PolarHBondContact O-N 2.89Å; L511-S515 WeakPolarHBondContact CB-O 3.24Å; L511-S515 PolarHBondContact N-O 2.96Å; L511-Q517 HydrophobicContact CD1-CB 4.4Å; L511-Q517 HydrophobicContact CD2-CB 4.4Å; L511-Q517 HydrophobicContact CG-CB 4.29Å | ||
| 512 | P | 67.3 | Low | 75.1 | Confident | 140 Ų | 140 | 66.9 Ų | 66.9 | 91% | 0.909 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 3.6 | -171.7 | -26.3 | 35.9 | 0 | 0 | 0 | 117.9 | ||
| 513 | R | 66.1 | Low | 76.7 | Confident | 162 Ų | 162 | 64.9 Ų | 64.9 | 61% | 0.611 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | -6.7 | 175.1 | -65.9 | -169.8 | 176.5 | -178.3 | -0.4 | 114.5 | E458 I483 L511 | E458-R513 HydrophobicContact CG-CB 3.95Å; E458-R513 WeakPolarHBondContact OE1-CD 3.16Å; E458-R513 IonicContact OE1-NH1 3.27Å; E458-R513 WeakPolarHBondContact OE2-CD 3.41Å; E458-R513 IonicContact OE2-CZ 3.43Å; E458-R513 IonicContact OE2-NE 3.46Å; E458-R513 IonicContact OE2-NH1 3.44Å; E458-R513 PolarHBondContact OE2-NH1 3.14Å; I483-R513 VanDerWaalsContact CD1-O 3.27Å; I483-R513 WeakPolarHBondContact CD1-O 3.31Å; L511-R513 PolarHBondContact O-N 2.85Å |
| 514 | G | 73.3 | Confident | 78.3 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | S | Bend | trans | 116.3 | -22.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | C457 I483 W485 L510 L511 | C457-G514 CarbonylContact O-C 3.5Å; C457-G514 VanDerWaalsContact O-CA 3.29Å; C457-G514 WeakPolarHBondContact O-CA 3.5Å; I483-G514 VanDerWaalsContact CD1-CA 3.43Å; W485-G514 PolarHBondContact NE1-O 3.11Å; L510-G514 VanDerWaalsContact CD1-O 3.27Å; L510-G514 WeakPolarHBondContact CD1-O 3.48Å; L511-G514 PolarHBondContact O-N 2.89Å |
| 515 | S | 82.9 | Confident | 79.7 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 137.4 | -180 | -53.1 | 0 | 0 | 0 | 0 | 112 | L455 C457 L511 | L455-S515 CarbonylContact O-C 3.56Å; L455-S515 VanDerWaalsContact O-CA 3.3Å; L455-S515 WeakPolarHBondContact O-CA 2.96Å; L455-S515 WeakPolarHBondContact O-CB 3.28Å; C457-S515 PolarHBondContact N-OG 3.02Å; C457-S515 PolarHBondContact O-N 2.89Å; C457-S515 VanDerWaalsContact O-N 3.12Å; L511-S515 WeakPolarHBondContact CB-O 3.24Å; L511-S515 PolarHBondContact N-O 2.96Å |
| 516 | L | 86.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 122.2 | 179.1 | 177.4 | 66.6 | 0 | 0 | 0 | 110.3 | L455 W485 I497 I499 Y508 I518 Y529 | L455-L516 HydrophobicContact CB-CB 4.38Å; L455-L516 HydrophobicContact CD1-CD2 4.17Å; L455-L516 PolarHBondContact N-O 2.99Å; L455-L516 PolarHBondContact O-N 3.13Å; W485-L516 HydrophobicContact CB-CD2 4.19Å; W485-L516 HydrophobicContact CD2-CB 3.73Å; W485-L516 HydrophobicContact CD2-CD2 3.94Å; W485-L516 HydrophobicContact CD2-CG 4.46Å; W485-L516 VanDerWaalsContact CE2-CB 3.44Å; W485-L516 HydrophobicContact CE3-CB 4.32Å; W485-L516 HydrophobicContact CE3-CD2 4.1Å; W485-L516 HydrophobicContact CG-CB 4.04Å; W485-L516 HydrophobicContact CG-CD2 3.99Å; W485-L516 HydrophobicContact CH2-CB 4.36Å; W485-L516 HydrophobicContact CZ2-CB 3.77Å; I497-L516 HydrophobicContact CD1-CD2 3.63Å; I499-L516 HydrophobicContact CD1-CD1 4.08Å; Y508-L516 HydrophobicContact CD1-CD1 4.29Å; Y508-L516 HydrophobicContact CD1-CD2 4.33Å; L516-I518 HydrophobicContact CD2-CG1 4.48Å; L516-I518 HydrophobicContact CG-CG1 4.32Å; L516-Y529 HydrophobicContact CD2-CD1 4.01Å; L516-Y529 HydrophobicContact CD2-CE1 4.26Å |
| 517 | Q | 86.3 | Confident | 81.6 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136 | 171 | -170.1 | 172.9 | 45 | 0 | 0 | 109.8 | I452 V453 T509 L511 | I452-Q517 HydrophobicContact CG2-CG 3.81Å; V453-Q517 WeakPolarHBondContact O-CA 3.21Å; T509-Q517 PolarHBondContact N-O 2.93Å; T509-Q517 PolarHBondContact O-N 2.83Å; L511-Q517 HydrophobicContact CD1-CB 4.4Å; L511-Q517 HydrophobicContact CD2-CB 4.4Å; L511-Q517 HydrophobicContact CG-CB 4.29Å |
| 518 | I | 87.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.9 | 172 | -44.2 | 173.7 | 0 | 0 | 0 | 107.2 | I452 V453 L455 R507 Y508 L516 L521 Y529 L558 | I452-I518 WeakPolarHBondContact CA-O 3.45Å; V453-I518 HydrophobicContact CG1-CB 3.79Å; V453-I518 HydrophobicContact CG1-CD1 4.23Å; V453-I518 HydrophobicContact CG1-CG1 4.17Å; V453-I518 PolarHBondContact N-O 2.87Å; V453-I518 PolarHBondContact O-N 2.81Å; L455-I518 HydrophobicContact CD1-CD1 4.14Å; R507-I518 WeakPolarHBondContact O-CA 3.07Å; Y508-I518 HydrophobicContact CD1-CD1 4.17Å; Y508-I518 HydrophobicContact CD1-CG1 3.82Å; Y508-I518 HydrophobicContact CD1-CG2 4.33Å; Y508-I518 HydrophobicContact CE1-CD1 3.61Å; Y508-I518 HydrophobicContact CE1-CG1 3.77Å; Y508-I518 HydrophobicContact CE1-CG2 4.08Å; Y508-I518 HydrophobicContact CE2-CG2 4.4Å; L516-I518 HydrophobicContact CD2-CG1 4.48Å; L516-I518 HydrophobicContact CG-CG1 4.32Å; I518-L521 HydrophobicContact CB-CD2 4.25Å; I518-L521 HydrophobicContact CG2-CD2 4.03Å; I518-Y529 HydrophobicContact CD1-CE1 3.81Å; I518-L558 HydrophobicContact CD1-CD2 3.93Å |
| 519 | S | 82.9 | Confident | 82.2 | Confident | 40 Ų | 40 | 52.1 Ų | 52.1 | 28% | 0.28 | 27% | 0.271 | S | S | . | . | trans | -95.3 | 150.3 | 178.4 | 58 | 0 | 0 | 0 | 0 | 111.5 | R507 | R507-S519 WeakPolarHBondContact CA-OG 3.25Å; R507-S519 VanDerWaalsContact CB-O 3.25Å; R507-S519 WeakPolarHBondContact CB-O 3.29Å; R507-S519 VanDerWaalsContact CD-O 3.26Å; R507-S519 WeakPolarHBondContact CD-O 3.4Å; R507-S519 VanDerWaalsContact CG-O 3.29Å; R507-S519 WeakPolarHBondContact CG-O 3.16Å; R507-S519 PolarHBondContact O-N 2.82Å; R507-S519 PolarHBondContact O-OG 2.8Å | ||
| 520 | N | 84.6 | Confident | 82.5 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 50% | 0.503 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 50.2 | 64 | 179.9 | -176.4 | 22.4 | 0 | 0 | 0 | 112.3 | E451 R507 | E451-N520 PolarHBondContact O-N 2.76Å; R507-N520 WeakPolarHBondContact CD-O 3.16Å; R507-N520 PolarHBondContact NH1-O 3.42Å |
| 521 | L | 84.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -56.1 | 142 | -178.6 | -85.9 | 176.8 | 0 | 0 | 0 | 113.3 | R447 V449 G450 E451 V453 I518 D525 L558 V560 | R447-L521 HydrophobicContact CB-CD1 3.45Å; R447-L521 VanDerWaalsContact CB-CD1 3.45Å; R447-L521 HydrophobicContact CG-CD1 3.93Å; V449-L521 CarbonylContact C-O 3.55Å; V449-L521 WeakPolarHBondContact CA-O 3.48Å; V449-L521 WeakPolarHBondContact CG1-O 3.48Å; G450-L521 PolarHBondContact N-O 3.26Å; E451-L521 HydrophobicContact CB-CD1 4.19Å; E451-L521 PolarHBondContact O-N 3Å; V453-L521 HydrophobicContact CB-CD1 3.83Å; V453-L521 HydrophobicContact CB-CG 4.48Å; V453-L521 HydrophobicContact CG1-CD1 3.69Å; V453-L521 HydrophobicContact CG1-CD2 3.75Å; V453-L521 HydrophobicContact CG1-CG 3.9Å; I518-L521 HydrophobicContact CB-CD2 4.25Å; I518-L521 HydrophobicContact CG2-CD2 4.03Å; L521-D525 HydrophobicContact CD2-CB 4.15Å; L521-L558 HydrophobicContact CD2-CD2 4.06Å; L521-V560 HydrophobicContact CB-CG1 4.07Å; L521-V560 HydrophobicContact CD1-CG2 4.41Å; L521-V560 HydrophobicContact CD2-CG2 3.98Å | ||
| 522 | R | 85.8 | Confident | 83.6 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 32% | 0.321 | 23% | 0.229 | S | C | . | . | trans | -124 | 155.2 | 175.8 | -54 | 176.9 | -163.2 | 155.2 | 12.4 | 110.3 | D505 R507 E524 D525 V560 | D505-R522 IonicContact OD1-NH2 3.01Å; D505-R522 IonicContact OD2-CZ 2.68Å; D505-R522 IonicContact OD2-NH1 2.64Å; D505-R522 PolarHBondContact OD2-NH1 2.98Å; D505-R522 IonicContact OD2-NH2 2.83Å; D505-R522 PolarHBondContact OD2-NH2 3.34Å; R507-R522 VanDerWaalsContact NE-CZ 3.33Å; R522-E524 HydrophobicContact CB-CG 3.68Å; R522-E524 WeakPolarHBondContact CD-OE1 3.38Å; R522-E524 IonicContact CZ-OE1 3.51Å; R522-E524 IonicContact NE-OE1 3.74Å; R522-E524 IonicContact NH1-OE1 3.22Å; R522-E524 PolarHBondContact NH1-OE1 3.36Å; R522-E524 PolarHBondContact O-N 2.84Å; R522-D525 PolarHBondContact N-OD2 3.1Å; R522-D525 WeakPolarHBondContact O-CB 3.43Å; R522-D525 PolarHBondContact O-N 2.02Å; R522-V560 WeakPolarHBondContact O-CB 3.34Å; R522-V560 WeakPolarHBondContact O-CG1 3.39Å | ||
| 523 | I | 83.1 | Confident | 84.4 | Confident | 95 Ų | 95 | 37.9 Ų | 37.9 | 49% | 0.487 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -55.4 | -29.1 | 175.9 | -53.3 | 175.3 | 0 | 0 | 0 | 111.5 | V449 D525 S526 P562 | V449-I523 HydrophobicContact CG2-CD1 4.26Å; V449-I523 HydrophobicContact CG2-CG1 3.47Å; V449-I523 VanDerWaalsContact CG2-CG1 3.47Å; I523-D525 VanDerWaalsContact C-N 3.32Å; I523-D525 PolarHBondContact O-N 2.94Å; I523-S526 PolarHBondContact O-OG 3.23Å; I523-P562 HydrophobicContact CD1-CG 4.02Å |
| 524 | E | 83.2 | Confident | 85 | Confident | 117 Ų | 117 | 32.9 Ų | 32.9 | 55% | 0.547 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -75.5 | -7.5 | 176.5 | 61.2 | 179.7 | 170.8 | 0 | 0 | 115.1 | R487 R522 | R487-E524 PolarHBondContact NH1-O 3Å; R487-E524 PolarHBondContact NH2-O 2.8Å; R522-E524 HydrophobicContact CB-CG 3.68Å; R522-E524 WeakPolarHBondContact CD-OE1 3.38Å; R522-E524 IonicContact CZ-OE1 3.51Å; R522-E524 IonicContact NE-OE1 3.74Å; R522-E524 IonicContact NH1-OE1 3.22Å; R522-E524 PolarHBondContact NH1-OE1 3.36Å; R522-E524 PolarHBondContact O-N 2.84Å |
| 525 | D | 85.6 | Confident | 85.1 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.011 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -84.9 | -15.2 | 175 | -61.2 | -56.2 | 0 | 0 | 0 | 113.6 | R487 R507 Y508 L521 R522 I523 Y529 V560 | R487-D525 PolarHBondContact NE-O 2.62Å; R487-D525 PolarHBondContact NH2-O 3.36Å; R487-D525 VanDerWaalsContact NH2-O 3.14Å; R507-D525 IonicContact CZ-OD1 3.7Å; R507-D525 IonicContact CZ-OD2 3.5Å; R507-D525 IonicContact NH1-OD1 2.7Å; R507-D525 IonicContact NH1-OD2 3.44Å; R507-D525 PolarHBondContact NH1-OD2 3Å; R507-D525 IonicContact NH2-OD1 2.85Å; R507-D525 PolarHBondContact NH2-OD1 3.03Å; R507-D525 IonicContact NH2-OD2 2.71Å; R507-D525 PolarHBondContact NH2-OD2 2.99Å; Y508-D525 PolarHBondContact OH-OD1 2.94Å; L521-D525 HydrophobicContact CD2-CB 4.15Å; R522-D525 PolarHBondContact N-OD2 3.1Å; R522-D525 WeakPolarHBondContact O-CB 3.43Å; R522-D525 PolarHBondContact O-N 2.02Å; I523-D525 VanDerWaalsContact C-N 3.32Å; I523-D525 PolarHBondContact O-N 2.94Å; D525-Y529 WeakPolarHBondContact O-CE2 3.38Å; D525-Y529 PolarHBondContact O-OH 3.02Å; D525-V560 HydrophobicContact CB-CG2 4.36Å |
| 526 | S | 86.5 | Confident | 84.5 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | trans | -53.5 | 141.9 | -180 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | R487 I523 L558 V560 | R487-S526 PolarHBondContact NH2-O 2.97Å; I523-S526 PolarHBondContact O-OG 3.23Å; S526-L558 CarbonylContact C-O 3.57Å; S526-L558 WeakPolarHBondContact CA-O 3.45Å; S526-V560 WeakPolarHBondContact OG-CB 3.24Å; S526-V560 PolarHBondContact OG-N 3.21Å | ||
| 527 | G | 83.7 | Confident | 83.6 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.5 | -171.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | L558 | G527-L558 PolarHBondContact N-O 2.77Å; G527-L558 PolarHBondContact O-N 2.78Å |
| 528 | N | 88 | Confident | 82.7 | Confident | 70 Ų | 70 | 39.1 Ų | 39.1 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.1 | 175.6 | -72 | -49.6 | 0 | 0 | 0 | 111 | S488 T555 | S488-N528 PolarHBondContact N-O 3.41Å; N528-T555 HydrophobicContact CB-CG2 3.92Å |
| 529 | Y | 89.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132 | 169.4 | -72 | -97.9 | 0 | 0 | 0 | 109 | L455 Y486 R487 I497 Y508 L516 I518 D525 T555 S556 L558 | L455-Y529 HydrophobicContact CD1-CD1 3.82Å; L455-Y529 HydrophobicContact CD1-CD2 4.24Å; L455-Y529 HydrophobicContact CD1-CE1 4.39Å; L455-Y529 HydrophobicContact CD1-CG 3.72Å; Y486-Y529 CarbonylContact O-C 3.56Å; Y486-Y529 WeakPolarHBondContact O-CA 3.41Å; R487-Y529 HydrophobicContact CB-CD1 4.48Å; R487-Y529 HydrophobicContact CB-CE1 4.28Å; R487-Y529 WeakPolarHBondContact CD-OH 3.46Å; R487-Y529 HydrophobicContact CG-CD1 4.39Å; R487-Y529 HydrophobicContact CG-CE1 3.93Å; R487-Y529 HydrophobicContact CG-CE2 4.39Å; R487-Y529 PolarHBondContact NE-OH 3.13Å; R487-Y529 VanDerWaalsContact NE-OH 3.15Å; I497-Y529 HydrophobicContact CD1-CD1 4.01Å; I497-Y529 HydrophobicContact CD1-CE1 3.93Å; Y508-Y529 HydrophobicContact CE1-CE1 4.11Å; Y508-Y529 PolarHBondContact OH-OH 2.58Å; L516-Y529 HydrophobicContact CD2-CD1 4.01Å; L516-Y529 HydrophobicContact CD2-CE1 4.26Å; I518-Y529 HydrophobicContact CD1-CE1 3.81Å; D525-Y529 WeakPolarHBondContact O-CE2 3.38Å; D525-Y529 PolarHBondContact O-OH 3.02Å; Y529-T555 CarbonylContact O-C 3.56Å; Y529-T555 WeakPolarHBondContact O-CA 3.31Å; Y529-S556 PolarHBondContact N-O 3.38Å; Y529-S556 PolarHBondContact O-N 3.27Å; Y529-S556 PolarHBondContact O-OG 2.93Å; Y529-L558 HydrophobicContact CD2-CB 3.75Å; Y529-L558 HydrophobicContact CD2-CD2 4.29Å; Y529-L558 HydrophobicContact CE2-CB 3.76Å; Y529-L558 HydrophobicContact CE2-CD2 3.67Å; Y529-L558 HydrophobicContact CE2-CG 4.31Å |
| 530 | T | 89.9 | Confident | 80.1 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 114.5 | -179.4 | -50.5 | 0 | 0 | 0 | 0 | 109.7 | W485 Y486 N553 W554 T555 | W485-T530 WeakPolarHBondContact CA-O 3.42Å; Y486-T530 PolarHBondContact N-O 3.42Å; Y486-T530 PolarHBondContact O-N 2.6Å; T530-N553 HydrophobicContact CG2-CB 4.04Å; T530-W554 CarbonylContact C-O 3.57Å; T530-W554 VanDerWaalsContact CA-O 3.31Å; T530-W554 WeakPolarHBondContact CA-O 3.33Å; T530-T555 WeakPolarHBondContact CG2-OG1 3.36Å; T530-T555 PolarHBondContact OG1-OG1 3.35Å |
| 531 | C | 89.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 137.2 | 165 | -173.4 | 0 | 0 | 0 | 0 | 109 | I438 C457 I483 W485 N553 W554 | I438-C531 HydrophobicContact CD1-CB 4.48Å; C457-C531 HydrophobicContact CB-CB 3.73Å; C457-C531 WeakPolarHBondContact CB-SG 3.3Å; C457-C531 WeakPolarHBondContact SG-CB 3.41Å; C457-C531 CovalentContact SG-SG 2.03Å; C457-C531 PolarHBondContact SG-SG 2.94Å; I483-C531 VanDerWaalsContact CG2-SG 3.53Å; W485-C531 HydrophobicContact CD2-CB 4.25Å; W485-C531 HydrophobicContact CE3-CB 4.17Å; W485-C531 HydrophobicContact CH2-CB 3.83Å; W485-C531 HydrophobicContact CZ2-CB 3.91Å; W485-C531 HydrophobicContact CZ3-CB 3.96Å; C531-N553 CarbonylContact O-C 3.59Å; C531-N553 VanDerWaalsContact O-CA 3.22Å; C531-N553 WeakPolarHBondContact O-CA 3.32Å; C531-W554 PolarHBondContact N-O 2.88Å; C531-W554 PolarHBondContact O-N 2.75Å |
| 532 | L | 88.2 | Confident | 77.2 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 103.5 | 179.9 | -179.7 | 63.6 | 0 | 0 | 0 | 109.7 | G484 Y486 K534 Q551 N553 | G484-L532 PolarHBondContact N-O 3.32Å; G484-L532 PolarHBondContact O-N 3.31Å; Y486-L532 HydrophobicContact CD2-CB 4.14Å; Y486-L532 HydrophobicContact CD2-CD2 4.15Å; Y486-L532 HydrophobicContact CE2-CB 3.92Å; Y486-L532 HydrophobicContact CE2-CD2 3.38Å; Y486-L532 HydrophobicContact CE2-CG 4.26Å; L532-K534 HydrophobicContact CG-CG 4.19Å; L532-Q551 HydrophobicContact CD1-CB 4.06Å; L532-Q551 HydrophobicContact CD1-CG 4.44Å; L532-N553 HydrophobicContact CD1-CB 3.77Å |
| 533 | A | 84.4 | Confident | 75.8 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 133.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P436 I438 L459 S482 Q551 S552 | P436-A533 HydrophobicContact CB-CB 4.1Å; P436-A533 HydrophobicContact CG-CB 4.11Å; I438-A533 HydrophobicContact CG1-CB 4.1Å; L459-A533 HydrophobicContact CD2-CB 4.12Å; S482-A533 CarbonylContact O-C 3.6Å; S482-A533 WeakPolarHBondContact O-CA 3.48Å; A533-Q551 CarbonylContact O-C 3.34Å; A533-Q551 WeakPolarHBondContact O-CA 3.47Å; A533-S552 PolarHBondContact N-O 3.23Å; A533-S552 PolarHBondContact O-N 2.71Å |
| 534 | K | 79.4 | Confident | 74.2 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 25% | 0.248 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 143.6 | 178.9 | -63.2 | 176.8 | -173.7 | 164.2 | 0 | 111.1 | W481 S482 Y486 L532 T549 L550 Q551 | W481-K534 WeakPolarHBondContact CA-O 3.17Å; S482-K534 PolarHBondContact N-O 3.42Å; S482-K534 PolarHBondContact O-N 3.47Å; Y486-K534 PolarHBondContact OH-NZ 3.09Å; L532-K534 HydrophobicContact CG-CG 4.19Å; K534-T549 HydrophobicContact CB-CG2 4.06Å; K534-T549 HydrophobicContact CD-CG2 4.37Å; K534-T549 HydrophobicContact CG-CG2 4.3Å; K534-L550 CarbonylContact C-O 3.6Å; K534-L550 WeakPolarHBondContact CA-O 3.29Å; K534-Q551 HydrophobicContact CG-CB 4.06Å |
| 535 | A | 74.4 | Confident | 72.8 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 124.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109.3 | P436 W481 T549 L550 | P436-A535 HydrophobicContact CG-CB 4.47Å; W481-A535 HydrophobicContact CG-CB 4.42Å; A535-T549 CarbonylContact O-C 3.6Å; A535-T549 WeakPolarHBondContact O-CA 3.44Å; A535-L550 PolarHBondContact N-O 2.96Å; A535-L550 PolarHBondContact O-N 2.84Å |
| 536 | V | 71 | Confident | 71.6 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 33% | 0.333 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.6 | 177.2 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | S479 T549 | S479-V536 WeakPolarHBondContact CB-O 3.42Å; V536-T549 HydrophobicContact CG2-CG2 4.21Å |
| 537 | I | 66.5 | Low | 70.7 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.1 | -174.6 | -44.1 | -168.1 | 0 | 0 | 0 | 108.9 | W433 S547 F548 L550 | W433-I537 HydrophobicContact CB-CD1 3.59Å; W433-I537 HydrophobicContact CD2-CD1 3.95Å; W433-I537 HydrophobicContact CD2-CG2 3.46Å; W433-I537 VanDerWaalsContact CD2-CG2 3.46Å; W433-I537 HydrophobicContact CE3-CD1 3.96Å; W433-I537 HydrophobicContact CE3-CG2 3.67Å; W433-I537 HydrophobicContact CG-CD1 3.8Å; W433-I537 HydrophobicContact CG-CG2 3.98Å; W433-I537 HydrophobicContact CH2-CG2 4.03Å; W433-I537 HydrophobicContact CZ2-CG2 3.85Å; W433-I537 HydrophobicContact CZ3-CG2 3.94Å; I537-S547 CarbonylContact O-C 3.56Å; I537-S547 WeakPolarHBondContact O-CA 3.47Å; I537-F548 HydrophobicContact CB-CD2 4.09Å; I537-F548 HydrophobicContact CB-CE2 3.78Å; I537-F548 HydrophobicContact CB-CZ 4.35Å; I537-F548 HydrophobicContact CD1-CE2 4.17Å; I537-F548 HydrophobicContact CG1-CE2 4.31Å; I537-F548 HydrophobicContact CG2-CE2 4.17Å; I537-F548 HydrophobicContact CG2-CZ 4.34Å; I537-F548 PolarHBondContact N-O 3.05Å; I537-F548 PolarHBondContact O-N 3.05Å; I537-L550 HydrophobicContact CD1-CD1 3.48Å; I537-L550 VanDerWaalsContact CD1-CD1 3.48Å; I537-L550 HydrophobicContact CD1-CG 3.68Å; I537-L550 HydrophobicContact CG1-CG 4.32Å |
| 538 | K | 67.7 | Low | 70 | Confident | 134 Ų | 134 | 64 Ų | 64 | 58% | 0.583 | 33% | 0.328 | S | S | * | . | trans | -132.6 | 65.6 | -173.6 | -58.2 | 174.2 | -174.9 | 169.6 | 0 | 110.6 | L545 | K538-L545 HydrophobicContact CB-CD1 4.41Å; K538-L545 HydrophobicContact CB-CG 4.46Å | ||
| 539 | P | 58.7 | Low | 69.2 | Low | 21 Ų | 21 | 64.2 Ų | 64.2 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | trans | -64.2 | 151.2 | 173.9 | 30.3 | -35.7 | 0 | 0 | 0 | 111 | I541 V546 F548 | P539-I541 HydrophobicContact CB-CD1 4.29Å; P539-I541 HydrophobicContact CB-CG1 4.13Å; P539-I541 HydrophobicContact CG-CD1 3.91Å; P539-I541 HydrophobicContact CG-CG1 4.21Å; P539-V546 WeakPolarHBondContact CD-O 3.47Å; P539-F548 HydrophobicContact CG-CD1 4.41Å; P539-F548 HydrophobicContact CG-CE1 3.48Å; P539-F548 VanDerWaalsContact CG-CE1 3.48Å; P539-F548 HydrophobicContact CG-CZ 3.92Å | ||
| 540 | Y | 58.1 | Low | 68.6 | Low | 176 Ų | 176 | 64.4 Ų | 64.4 | 69% | 0.69 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114.2 | 171.3 | -140.7 | -102.5 | 0 | 0 | 0 | 107.7 | L545 | Y540-L545 HydrophobicContact CD2-CD1 3.76Å; Y540-L545 HydrophobicContact CE2-CD1 4.15Å |
| 541 | I | 56.5 | Low | 68.2 | Low | 77 Ų | 77 | 68.4 Ų | 68.4 | 40% | 0.395 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121.1 | -177.5 | -54.9 | 178.5 | 0 | 0 | 0 | 107.7 | P539 E543 S544 | P539-I541 HydrophobicContact CB-CD1 4.29Å; P539-I541 HydrophobicContact CB-CG1 4.13Å; P539-I541 HydrophobicContact CG-CD1 3.91Å; P539-I541 HydrophobicContact CG-CG1 4.21Å; I541-E543 PolarHBondContact O-N 3.09Å; I541-S544 PolarHBondContact N-O 3.4Å; I541-S544 WeakPolarHBondContact O-CA 3.41Å; I541-S544 WeakPolarHBondContact O-CB 3.26Å; I541-S544 PolarHBondContact O-N 2.93Å; I541-S544 VanDerWaalsContact O-O 3.1Å; I541-S544 PolarHBondContact O-OG 3.01Å |
| 542 | D | 51.6 | Low | 67.9 | Low | 155 Ų | 155 | 69.1 Ų | 69.1 | 83% | 0.829 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 52.6 | 178.1 | -54.8 | -24.1 | 0 | 0 | 0 | 113.3 | S544 | D542-S544 PolarHBondContact O-N 3.25Š|
| 543 | E | 55.3 | Low | 67.9 | Low | 178 Ų | 178 | 73.1 Ų | 73.1 | 83% | 0.832 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 3.4 | -174.2 | -56.9 | -167.8 | 150.4 | 0 | 0 | 115.8 | I541 | I541-E543 PolarHBondContact O-N 3.09Š|
| 544 | S | 49.5 | Very low | 68.1 | Low | 54 Ų | 54 | 75 Ų | 75 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 143 | 179.5 | 79.3 | 0 | 0 | 0 | 0 | 112.4 | I541 D542 V546 | I541-S544 PolarHBondContact N-O 3.4Å; I541-S544 WeakPolarHBondContact O-CA 3.41Å; I541-S544 WeakPolarHBondContact O-CB 3.26Å; I541-S544 PolarHBondContact O-N 2.93Å; I541-S544 VanDerWaalsContact O-O 3.1Å; I541-S544 PolarHBondContact O-OG 3.01Å; D542-S544 PolarHBondContact O-N 3.25Å; S544-V546 PolarHBondContact O-N 2.86Å |
| 545 | L | 55.2 | Low | 68.5 | Low | 111 Ų | 111 | 75.5 Ų | 75.5 | 58% | 0.581 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 79.1 | 178.5 | -162.7 | 81.6 | 0 | 0 | 0 | 110.6 | K538 Y540 S547 | K538-L545 HydrophobicContact CB-CD1 4.41Å; K538-L545 HydrophobicContact CB-CG 4.46Å; Y540-L545 HydrophobicContact CD2-CD1 3.76Å; Y540-L545 HydrophobicContact CE2-CD1 4.15Å; L545-S547 PolarHBondContact O-N 3.11Å |
| 546 | V | 61 | Low | 69 | Low | 71 Ų | 71 | 75.5 Ų | 75.5 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | trans | -77.8 | 117.2 | 177.8 | -177 | 0 | 0 | 0 | 0 | 109.7 | P539 S544 | P539-V546 WeakPolarHBondContact CD-O 3.47Å; S544-V546 PolarHBondContact O-N 2.86Å | ||
| 547 | S | 65.9 | Low | 69.7 | Low | 80 Ų | 80 | 77.6 Ų | 77.6 | 56% | 0.559 | 39% | 0.394 | S | S | * | . | trans | -97.3 | 128.6 | 173.9 | 63.7 | 0 | 0 | 0 | 0 | 112 | I537 L545 | I537-S547 CarbonylContact O-C 3.56Å; I537-S547 WeakPolarHBondContact O-CA 3.47Å; L545-S547 PolarHBondContact O-N 3.11Å | ||
| 548 | F | 68.9 | Low | 70.7 | Confident | 63 Ų | 63 | 77.2 Ų | 77.2 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.4 | 169.9 | 52.5 | -102.1 | 0 | 0 | 0 | 112 | I537 P539 L550 | I537-F548 HydrophobicContact CB-CD2 4.09Å; I537-F548 HydrophobicContact CB-CE2 3.78Å; I537-F548 HydrophobicContact CB-CZ 4.35Å; I537-F548 HydrophobicContact CD1-CE2 4.17Å; I537-F548 HydrophobicContact CG1-CE2 4.31Å; I537-F548 HydrophobicContact CG2-CE2 4.17Å; I537-F548 HydrophobicContact CG2-CZ 4.34Å; I537-F548 PolarHBondContact N-O 3.05Å; I537-F548 PolarHBondContact O-N 3.05Å; P539-F548 HydrophobicContact CG-CD1 4.41Å; P539-F548 HydrophobicContact CG-CE1 3.48Å; P539-F548 VanDerWaalsContact CG-CE1 3.48Å; P539-F548 HydrophobicContact CG-CZ 3.92Å; F548-L550 HydrophobicContact CD2-CD2 3.84Å; F548-L550 HydrophobicContact CD2-CG 4.45Å; F548-L550 HydrophobicContact CE2-CD2 4.04Å |
| 549 | T | 73 | Confident | 71.5 | Confident | 75 Ų | 75 | 73.1 Ų | 73.1 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111.2 | -178 | -54.3 | 0 | 0 | 0 | 0 | 109.5 | K534 A535 V536 | K534-T549 HydrophobicContact CB-CG2 4.06Å; K534-T549 HydrophobicContact CD-CG2 4.37Å; K534-T549 HydrophobicContact CG-CG2 4.3Å; A535-T549 CarbonylContact O-C 3.6Å; A535-T549 WeakPolarHBondContact O-CA 3.44Å; V536-T549 HydrophobicContact CG2-CG2 4.21Å |
| 550 | L | 74.9 | Confident | 72.8 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 140.6 | 166.9 | -52.2 | -167.8 | 0 | 0 | 0 | 108.5 | W433 L434 A435 K534 A535 I537 F548 P632 | W433-L550 HydrophobicContact CB-CD1 4.21Å; L434-L550 WeakPolarHBondContact O-CD1 3.48Å; A435-L550 HydrophobicContact CB-CB 4.42Å; A435-L550 HydrophobicContact CB-CD1 4.45Å; K534-L550 CarbonylContact C-O 3.6Å; K534-L550 WeakPolarHBondContact CA-O 3.29Å; A535-L550 PolarHBondContact N-O 2.96Å; A535-L550 PolarHBondContact O-N 2.84Å; I537-L550 HydrophobicContact CD1-CD1 3.48Å; I537-L550 VanDerWaalsContact CD1-CD1 3.48Å; I537-L550 HydrophobicContact CD1-CG 3.68Å; I537-L550 HydrophobicContact CG1-CG 4.32Å; F548-L550 HydrophobicContact CD2-CD2 3.84Å; F548-L550 HydrophobicContact CD2-CG 4.45Å; F548-L550 HydrophobicContact CE2-CD2 4.04Å; L550-P632 HydrophobicContact CD2-CB 3.81Å |
| 551 | Q | 82.3 | Confident | 74 | Confident | 101 Ų | 101 | 65.1 Ų | 65.1 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151.3 | 179 | 66.5 | -179.1 | -6.4 | 0 | 0 | 112.4 | L532 A533 K534 | L532-Q551 HydrophobicContact CD1-CB 4.06Å; L532-Q551 HydrophobicContact CD1-CG 4.44Å; A533-Q551 CarbonylContact O-C 3.34Å; A533-Q551 WeakPolarHBondContact O-CA 3.47Å; K534-Q551 HydrophobicContact CG-CB 4.06Å |
| 552 | S | 83.7 | Confident | 75.2 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 11% | 0.112 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.3 | 173.1 | -67.3 | 0 | 0 | 0 | 0 | 108.7 | P436 A533 | P436-S552 WeakPolarHBondContact O-CB 2.9Å; P436-S552 PolarHBondContact O-OG 2.74Å; P436-S552 VanDerWaalsContact O-OG 3.12Å; A533-S552 PolarHBondContact N-O 3.23Å; A533-S552 PolarHBondContact O-N 2.71Å |
| 553 | N | 88.6 | Confident | 76.1 | Confident | 98 Ų | 98 | 65.6 Ų | 65.6 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 156.6 | -175.8 | 56.3 | 70.2 | 0 | 0 | 0 | 112.3 | T530 C531 L532 | T530-N553 HydrophobicContact CG2-CB 4.04Å; C531-N553 CarbonylContact O-C 3.59Å; C531-N553 VanDerWaalsContact O-CA 3.22Å; C531-N553 WeakPolarHBondContact O-CA 3.32Å; L532-N553 HydrophobicContact CD1-CB 3.77Å |
| 554 | W | 87.6 | Confident | 76.7 | Confident | 41 Ų | 41 | 61 Ų | 61 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 130.1 | 171.1 | -161.3 | -74.2 | 0 | 0 | 0 | 110.1 | I438 P441 T530 C531 W623 V672 | I438-W554 HydrophobicContact CD1-CB 3.9Å; P441-W554 HydrophobicContact CB-CB 4.25Å; P441-W554 HydrophobicContact CB-CD2 3.3Å; P441-W554 HydrophobicContact CB-CE3 3.81Å; P441-W554 HydrophobicContact CB-CG 3.51Å; P441-W554 HydrophobicContact CB-CH2 4.35Å; P441-W554 HydrophobicContact CB-CZ2 3.93Å; P441-W554 HydrophobicContact CB-CZ3 4.3Å; P441-W554 HydrophobicContact CG-CD2 4.01Å; P441-W554 HydrophobicContact CG-CE3 4.26Å; P441-W554 HydrophobicContact CG-CH2 3.97Å; P441-W554 HydrophobicContact CG-CZ2 3.71Å; P441-W554 HydrophobicContact CG-CZ3 4.25Å; T530-W554 CarbonylContact C-O 3.57Å; T530-W554 VanDerWaalsContact CA-O 3.31Å; T530-W554 WeakPolarHBondContact CA-O 3.33Å; C531-W554 PolarHBondContact N-O 2.88Å; C531-W554 PolarHBondContact O-N 2.75Å; W554-W623 AromaticContact CH2-CE3 3.93Å; W554-W623 HydrophobicContact CH2-CE3 3.93Å; W554-W623 HydrophobicContact CH2-CH2 4.4Å; W554-W623 AromaticContact CH2-CZ3 3.47Å; W554-W623 HydrophobicContact CH2-CZ3 3.47Å; W554-W623 VanDerWaalsContact CH2-CZ3 3.47Å; W554-W623 HydrophobicContact CZ2-CH2 4.32Å; W554-W623 AromaticContact CZ2-CZ3 3.8Å; W554-W623 HydrophobicContact CZ2-CZ3 3.8Å; W554-W623 HydrophobicContact CZ3-CZ3 4.41Å; W554-V672 HydrophobicContact CH2-CG1 4.21Å; W554-V672 HydrophobicContact CZ2-CB 4.47Å; W554-V672 HydrophobicContact CZ2-CG1 4.34Å; W554-V672 HydrophobicContact CZ2-CG2 4.22Å |
| 555 | T | 88.5 | Confident | 77.6 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.7 | -178.7 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | N528 Y529 T530 | N528-T555 HydrophobicContact CB-CG2 3.92Å; Y529-T555 CarbonylContact O-C 3.56Å; Y529-T555 WeakPolarHBondContact O-CA 3.31Å; T530-T555 WeakPolarHBondContact CG2-OG1 3.36Å; T530-T555 PolarHBondContact OG1-OG1 3.35Å |
| 556 | S | 85 | Confident | 77.8 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142.6 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | P442 N444 Y529 | P442-S556 WeakPolarHBondContact CB-OG 3.34Å; P442-S556 WeakPolarHBondContact CG-OG 3.33Å; P442-S556 WeakPolarHBondContact O-CB 3.34Å; N444-S556 WeakPolarHBondContact OD1-CA 3.4Å; Y529-S556 PolarHBondContact N-O 3.38Å; Y529-S556 PolarHBondContact O-N 3.27Å; Y529-S556 PolarHBondContact O-OG 2.93Å |
| 557 | Y | 86 | Confident | 77.3 | Confident | 98 Ų | 98 | 60.9 Ų | 60.9 | 38% | 0.384 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126.4 | 172.4 | -169.1 | -99.3 | 0 | 0 | 0 | 111.1 | N444 Q445 D559 | N444-Y557 WeakPolarHBondContact CA-O 3.49Å; N444-Y557 PolarHBondContact OD1-N 2.85Å; Q445-Y557 PolarHBondContact N-O 2.89Å; Y557-D559 HydrophobicContact CD1-CB 4.06Å; Y557-D559 HydrophobicContact CE1-CB 3.65Å |
| 558 | L | 86.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.1 | 168.9 | 175.9 | 64.5 | 0 | 0 | 0 | 108.8 | Q445 R447 V453 I518 L521 S526 G527 Y529 V560 | Q445-L558 HydrophobicContact CG-CD1 3.97Å; R447-L558 HydrophobicContact CB-CD1 4.45Å; R447-L558 HydrophobicContact CG-CD1 4.03Å; V453-L558 HydrophobicContact CG1-CD1 4.46Å; V453-L558 HydrophobicContact CG1-CD2 4.28Å; V453-L558 HydrophobicContact CG2-CD1 4.21Å; I518-L558 HydrophobicContact CD1-CD2 3.93Å; L521-L558 HydrophobicContact CD2-CD2 4.06Å; S526-L558 CarbonylContact C-O 3.57Å; S526-L558 WeakPolarHBondContact CA-O 3.45Å; G527-L558 PolarHBondContact N-O 2.77Å; G527-L558 PolarHBondContact O-N 2.78Å; Y529-L558 HydrophobicContact CD2-CB 3.75Å; Y529-L558 HydrophobicContact CD2-CD2 4.29Å; Y529-L558 HydrophobicContact CE2-CB 3.76Å; Y529-L558 HydrophobicContact CE2-CD2 3.67Å; Y529-L558 HydrophobicContact CE2-CG 4.31Å; L558-V560 HydrophobicContact CD2-CG2 4.36Å; L558-V560 HydrophobicContact CG-CG2 4.13Å |
| 559 | D | 84 | Confident | 75.6 | Confident | 48 Ų | 48 | 64 Ų | 64 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 119.3 | 179.3 | -165.6 | 46.9 | 0 | 0 | 0 | 110 | Q445 T446 R447 Y557 | Q445-D559 PolarHBondContact O-N 2.97Å; T446-D559 CarbonylContact C-O 3.54Å; T446-D559 VanDerWaalsContact CA-O 3.28Å; T446-D559 WeakPolarHBondContact CA-O 3.48Å; T446-D559 HydrophobicContact CG2-CB 4.23Å; R447-D559 PolarHBondContact N-O 3.37Å; Y557-D559 HydrophobicContact CD1-CB 4.06Å; Y557-D559 HydrophobicContact CE1-CB 3.65Å |
| 560 | V | 86 | Confident | 74.5 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.03 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 108.9 | -177.2 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | R447 V449 L521 R522 D525 S526 L558 | R447-V560 CarbonylContact O-C 3.54Å; R447-V560 WeakPolarHBondContact O-CA 3.38Å; V449-V560 HydrophobicContact CG2-CG1 3.96Å; L521-V560 HydrophobicContact CB-CG1 4.07Å; L521-V560 HydrophobicContact CD1-CG2 4.41Å; L521-V560 HydrophobicContact CD2-CG2 3.98Å; R522-V560 WeakPolarHBondContact O-CB 3.34Å; R522-V560 WeakPolarHBondContact O-CG1 3.39Å; D525-V560 HydrophobicContact CB-CG2 4.36Å; S526-V560 WeakPolarHBondContact OG-CB 3.24Å; S526-V560 PolarHBondContact OG-N 3.21Å; L558-V560 HydrophobicContact CD2-CG2 4.36Å; L558-V560 HydrophobicContact CG-CG2 4.13Å |
| 561 | V | 84 | Confident | 73.4 | Confident | 24 Ų | 24 | 65.7 Ų | 65.7 | 15% | 0.145 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 147.3 | -175.6 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | T446 R447 T448 V449 | T446-V561 HydrophobicContact CG2-CG1 3.8Å; T446-V561 HydrophobicContact CG2-CG2 3.89Å; R447-V561 WeakPolarHBondContact O-CG2 3.43Å; R447-V561 PolarHBondContact O-N 3.11Å; T448-V561 WeakPolarHBondContact CA-O 3.13Å; T448-V561 HydrophobicContact CG2-CG2 4.34Å; V449-V561 PolarHBondContact N-O 3.36Å |
| 562 | P | 81.6 | Confident | 71.9 | Confident | 66 Ų | 66 | 62 Ų | 62 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 149.2 | 173.4 | -25.7 | 33.7 | 0 | 0 | 0 | 113.5 | I523 G564 S565 | I523-P562 HydrophobicContact CD1-CG 4.02Å; P562-G564 PolarHBondContact O-N 3.02Å; P562-S565 WeakPolarHBondContact CD-OG 3.4Å; P562-S565 VanDerWaalsContact O-CB 3.22Å; P562-S565 WeakPolarHBondContact O-CB 3.37Å; P562-S565 PolarHBondContact O-N 2.86Å; P562-S565 PolarHBondContact O-OG 2.81Å |
| 563 | E | 71.3 | Confident | 70.7 | Confident | 175 Ų | 175 | 67.3 Ų | 67.3 | 82% | 0.818 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 130.2 | 172.4 | -167.7 | 176 | -163.3 | 0 | 0 | 110.6 | ||
| 564 | G | 67.4 | Low | 69.5 | Low | 81 Ų | 81 | 63.9 Ų | 63.9 | 84% | 0.835 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116 | P562 | P562-G564 PolarHBondContact O-N 3.02Š|
| 565 | S | 68.6 | Low | 68.7 | Low | 41 Ų | 41 | 66.2 Ų | 66.2 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | trans | -67.7 | 147.2 | 171.4 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | P562 A567 | P562-S565 WeakPolarHBondContact CD-OG 3.4Å; P562-S565 VanDerWaalsContact O-CB 3.22Å; P562-S565 WeakPolarHBondContact O-CB 3.37Å; P562-S565 PolarHBondContact O-N 2.86Å; P562-S565 PolarHBondContact O-OG 2.81Å; S565-A567 PolarHBondContact O-N 2.86Å | ||
| 566 | P | 58 | Low | 68.1 | Low | 129 Ų | 129 | 64.7 Ų | 64.7 | 84% | 0.838 | 41% | 0.409 | S | S | * | . | trans | -71.7 | 89.1 | 173.7 | 30.3 | -34.4 | 0 | 0 | 0 | 110.5 | T568 | P566-T568 PolarHBondContact O-N 3.35Š| ||
| 567 | A | 52.5 | Low | 67.8 | Low | 64 Ų | 64 | 64.7 Ų | 64.7 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | trans | -62.5 | 123.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S565 A569 | S565-A567 PolarHBondContact O-N 2.86Å; A567-A569 PolarHBondContact O-N 3.44Å | ||
| 568 | T | 52.5 | Low | 67.5 | Low | 112 Ų | 112 | 62 Ų | 62 | 69% | 0.687 | 40% | 0.404 | S | S | * | . | trans | -69.4 | 101.5 | 175.8 | 29.2 | 0 | 0 | 0 | 0 | 110.9 | P566 | P566-T568 PolarHBondContact O-N 3.35Š| ||
| 569 | A | 45.4 | Very low | 67.2 | Low | 96 Ų | 96 | 64.4 Ų | 64.4 | 79% | 0.793 | 42% | 0.42 | S | S | * | . | trans | -51.5 | 141.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A567 | A567-A569 PolarHBondContact O-N 3.44Š| ||
| 570 | A | 50.7 | Low | 67.1 | Low | 45 Ų | 45 | 62.5 Ų | 62.5 | 37% | 0.372 | 41% | 0.41 | S | S | . | . | cis | -154.8 | 36.5 | -4.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S572 N573 | A570-S572 PolarHBondContact O-N 2.8Å; A570-N573 HydrophobicContact CB-CB 4.47Å; A570-N573 PolarHBondContact O-N 3.37Å | ||
| 571 | I | 52 | Low | 66.7 | Low | 71 Ų | 71 | 68.5 Ų | 68.5 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -31.2 | -173 | -59.6 | 175.2 | 0 | 0 | 0 | 113.4 | N444 | N444-I571 WeakPolarHBondContact O-CG2 3.46Š|
| 572 | S | 50.9 | Low | 66.5 | Low | 23 Ų | 23 | 71.4 Ų | 71.4 | 16% | 0.161 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -18.9 | -179.5 | 49.8 | 0 | 0 | 0 | 0 | 115.5 | A570 | A570-S572 PolarHBondContact O-N 2.8Š|
| 573 | N | 56.7 | Low | 66.7 | Low | 128 Ų | 128 | 69.2 Ų | 69.2 | 68% | 0.684 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -11.2 | -172.9 | -75.2 | -9.9 | 0 | 0 | 0 | 113.8 | A570 | A570-N573 HydrophobicContact CB-CB 4.47Å; A570-N573 PolarHBondContact O-N 3.37Å |
| 574 | E | 64.1 | Low | 67.6 | Low | 26 Ų | 26 | 64.1 Ų | 64.1 | 12% | 0.121 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -66.4 | 137.7 | 168.9 | -60.1 | -172.3 | 123.8 | 0 | 0 | 110 | W667 R671 | E574-W667 WeakPolarHBondContact OE2-CB 3.43Å; E574-R671 HydrophobicContact CB-CB 4.23Å; E574-R671 WeakPolarHBondContact O-CD 3.5Å; E574-R671 PolarHBondContact O-NH1 3.26Å; E574-R671 PolarHBondContact OE2-N 2.78Å; E574-R671 VanDerWaalsContact OE2-N 3.1Å |
| 575 | S | 70.9 | Confident | 68.4 | Low | 89 Ų | 89 | 62 Ų | 62 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 144.1 | 170.8 | -65.9 | 0 | 0 | 0 | 0 | 110.2 | L577 W667 | S575-L577 PolarHBondContact O-N 2.86Å; S575-W667 PolarHBondContact O-NE1 2.93Å |
| 576 | P | 76.2 | Confident | 68.9 | Low | 36 Ų | 36 | 64.4 Ų | 64.4 | 23% | 0.234 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 132.8 | 176.3 | 29.6 | -31.8 | 0 | 0 | 0 | 109 | L440 | L440-P576 HydrophobicContact CD1-CB 3.61Å; L440-P576 HydrophobicContact CD1-CG 4.25Å |
| 577 | L | 79 | Confident | 70 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 139.9 | 178.3 | -71.6 | 167.3 | 0 | 0 | 0 | 110.3 | S575 F601 I620 P665 W667 G673 W674 | S575-L577 PolarHBondContact O-N 2.86Å; L577-F601 HydrophobicContact CD2-CE2 3.78Å; L577-I620 HydrophobicContact CD1-CB 4.49Å; L577-I620 HydrophobicContact CD1-CD1 4.17Å; L577-I620 HydrophobicContact CD1-CG1 3.99Å; L577-I620 HydrophobicContact CD1-CG2 3.82Å; L577-I620 HydrophobicContact CD2-CD1 3.86Å; L577-I620 HydrophobicContact CD2-CG1 4.39Å; L577-P665 HydrophobicContact CB-CB 3.87Å; L577-P665 HydrophobicContact CB-CG 3.73Å; L577-P665 HydrophobicContact CD1-CB 3.89Å; L577-W667 HydrophobicContact CD1-CD2 4.06Å; L577-W667 HydrophobicContact CD1-CG 4.16Å; L577-W667 HydrophobicContact CD2-CD2 4.11Å; L577-W667 HydrophobicContact CD2-CE3 4.43Å; L577-W667 HydrophobicContact CD2-CH2 3.76Å; L577-W667 HydrophobicContact CD2-CZ2 3.36Å; L577-W667 HydrophobicContact CD2-CZ3 4.27Å; L577-W667 HydrophobicContact CG-CD2 4.15Å; L577-W667 HydrophobicContact CG-CG 4.42Å; L577-W667 HydrophobicContact CG-CZ2 4.08Å; L577-G673 VanDerWaalsContact O-CA 3.25Å; L577-G673 WeakPolarHBondContact O-CA 3.27Å; L577-W674 PolarHBondContact O-N 3.19Å |
| 578 | P | 79.2 | Confident | 71.4 | Confident | 40 Ų | 40 | 61 Ų | 61 | 26% | 0.26 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -59 | 158.9 | 172.4 | -18.2 | 30 | 0 | 0 | 0 | 111.2 | P600 F601 P665 | P578-P600 HydrophobicContact CB-CB 4.03Å; P578-P600 HydrophobicContact CG-CB 4.39Å; P578-P600 VanDerWaalsContact O-CB 3.27Å; P578-P600 WeakPolarHBondContact O-CB 3.06Å; P578-F601 VanDerWaalsContact CD-CE2 3.49Å; P578-F601 HydrophobicContact CG-CD1 4.48Å; P578-F601 HydrophobicContact CG-CE1 3.8Å; P578-F601 HydrophobicContact CG-CE2 4.02Å; P578-F601 HydrophobicContact CG-CZ 3.54Å; P578-P665 WeakPolarHBondContact O-CG 3.47Å |
| 579 | P | 80.6 | Confident | 73 | Confident | 52 Ų | 52 | 57.7 Ų | 57.7 | 34% | 0.338 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -64 | 143.1 | 176.5 | 29.1 | -34.1 | 0 | 0 | 0 | 110.5 | W674 A675 | P579-W674 HydrophobicContact CB-CB 4.05Å; P579-W674 HydrophobicContact CG-CB 4.34Å; P579-A675 WeakPolarHBondContact CB-O 3.14Å |
| 580 | P | 81.7 | Confident | 74.8 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 5% | 0.045 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 135.5 | 173.6 | -18.1 | 32.7 | 0 | 0 | 0 | 110.3 | W597 Y622 I663 P665 | P580-W597 HydrophobicContact CB-CB 4.25Å; P580-W597 HydrophobicContact CB-CG 4.18Å; P580-Y622 HydrophobicContact CG-CD1 4.35Å; P580-Y622 HydrophobicContact CG-CE1 4.18Å; P580-I663 HydrophobicContact CG-CB 4.21Å; P580-I663 HydrophobicContact CG-CG2 3.92Å; P580-P665 HydrophobicContact CG-CB 4.32Å; P580-P665 HydrophobicContact CG-CG 4.01Å |
| 581 | E | 78.3 | Confident | 76.5 | Confident | 131 Ų | 131 | 54.5 Ų | 54.5 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -90.2 | 166.4 | -179 | -60.7 | -170 | 165.5 | 0 | 0 | 111.3 | L583 D598 | E581-L583 VanDerWaalsContact C-N 3.26Å; E581-L583 PolarHBondContact O-N 2.84Å; E581-L583 VanDerWaalsContact O-N 3.08Å; E581-D598 PolarHBondContact O-N 2.89Å |
| 582 | N | 79.8 | Confident | 78.2 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 46% | 0.46 | 31% | 0.306 | S | S | . | . | trans | 51.4 | 35.7 | 172.4 | -61.5 | -34 | 0 | 0 | 0 | 116.1 | K584 D598 | N582-K584 WeakPolarHBondContact O-CG 3.41Å; N582-K584 PolarHBondContact O-N 3.14Å; N582-D598 HydrophobicContact CB-CB 4.45Å; N582-D598 WeakPolarHBondContact CB-OD2 3.48Å; N582-D598 PolarHBondContact ND2-OD2 3.39Å | ||
| 583 | L | 85.8 | Confident | 79.9 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | trans | -61.3 | 113.9 | 172.9 | 175.7 | 59.6 | 0 | 0 | 0 | 111.1 | E581 L595 V596 W597 I663 S676 L679 | E581-L583 VanDerWaalsContact C-N 3.26Å; E581-L583 PolarHBondContact O-N 2.84Å; E581-L583 VanDerWaalsContact O-N 3.08Å; L583-L595 HydrophobicContact CD1-CB 4.38Å; L583-V596 CarbonylContact C-O 3.57Å; L583-V596 WeakPolarHBondContact CA-O 3.33Å; L583-W597 HydrophobicContact CB-CB 4.37Å; L583-W597 HydrophobicContact CD1-CB 4.23Å; L583-W597 HydrophobicContact CD1-CE3 4.09Å; L583-I663 HydrophobicContact CD1-CD1 4.16Å; L583-I663 HydrophobicContact CD1-CG1 3.59Å; L583-I663 HydrophobicContact CD2-CG1 3.88Å; L583-I663 HydrophobicContact CG-CG1 4.32Å; L583-S676 WeakPolarHBondContact CD2-OG 3.38Å; L583-L679 HydrophobicContact CD1-CD2 4.31Å; L583-L679 HydrophobicContact CD2-CB 3.76Å; L583-L679 HydrophobicContact CG-CB 3.84Å; L583-L679 HydrophobicContact CG-CD2 3.94Å | ||
| 584 | K | 88.5 | Confident | 81.5 | Confident | 67 Ų | 67 | 46.6 Ų | 46.6 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.8 | -174.1 | -67.5 | 167.9 | -168.4 | -168.3 | 0 | 111.7 | D312 N582 L595 V596 | D312-K584 WeakPolarHBondContact OD1-CD 3.08Å; D312-K584 WeakPolarHBondContact OD1-CE 3.12Å; D312-K584 IonicContact OD1-NZ 2.76Å; D312-K584 PolarHBondContact OD1-NZ 2.96Å; D312-K584 WeakPolarHBondContact OD2-CE 3.43Å; D312-K584 IonicContact OD2-NZ 2.68Å; D312-K584 PolarHBondContact OD2-NZ 2.92Å; N582-K584 WeakPolarHBondContact O-CG 3.41Å; N582-K584 PolarHBondContact O-N 3.14Å; K584-L595 WeakPolarHBondContact O-CA 3.32Å; K584-V596 PolarHBondContact N-O 2.78Å; K584-V596 PolarHBondContact O-N 3.1Å |
| 585 | A | 85.7 | Confident | 82.7 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 31% | 0.314 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | V588 V593 I594 L595 L679 V682 | A585-V588 HydrophobicContact CB-CG2 4.43Å; A585-V593 HydrophobicContact CB-CG1 4.23Å; A585-I594 CarbonylContact C-O 3.51Å; A585-I594 VanDerWaalsContact CA-O 3.29Å; A585-I594 WeakPolarHBondContact CA-O 3.2Å; A585-L595 HydrophobicContact CB-CD2 4.03Å; A585-L679 HydrophobicContact CB-CD2 4.14Å; A585-V682 HydrophobicContact CB-CG2 4.41Å |
| 586 | T | 79.5 | Confident | 83.6 | Confident | 90 Ų | 90 | 43.4 Ų | 43.4 | 55% | 0.552 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -22.1 | -169.9 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | I594 V596 | T586-I594 PolarHBondContact N-O 2.89Å; T586-I594 WeakPolarHBondContact OG1-CG2 3.5Å; T586-V596 HydrophobicContact CG2-CB 4.25Å; T586-V596 HydrophobicContact CG2-CG2 3.66Å |
| 587 | N | 79.3 | Confident | 84.2 | Confident | 82 Ų | 82 | 41.8 Ų | 41.8 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 128 | 176.3 | -175 | 3.3 | 0 | 0 | 0 | 109.1 | V593 I594 | N587-V593 CarbonylContact O-C 3.55Å; N587-V593 WeakPolarHBondContact O-CA 3.18Å; N587-I594 HydrophobicContact CB-CB 4.18Å; N587-I594 HydrophobicContact CB-CD1 3.88Å; N587-I594 HydrophobicContact CB-CG1 3.99Å; N587-I594 PolarHBondContact O-N 3.47Å |
| 588 | V | 83.1 | Confident | 84.4 | Confident | 39 Ų | 39 | 45.6 Ų | 45.6 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 121.8 | -177.7 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | A585 V593 V682 L683 L685 | A585-V588 HydrophobicContact CB-CG2 4.43Å; V588-V593 HydrophobicContact CG1-CG2 4.03Å; V588-V593 HydrophobicContact CG2-CG1 4.47Å; V588-V593 HydrophobicContact CG2-CG2 4.21Å; V588-V682 HydrophobicContact CG1-CG1 4.48Å; V588-V682 HydrophobicContact CG2-CG1 3.97Å; V588-L683 WeakPolarHBondContact CG1-O 3.39Å; V588-L685 WeakPolarHBondContact O-CD1 3.43Å |
| 589 | T | 85.1 | Confident | 84.1 | Confident | 44 Ų | 44 | 48 Ų | 48 | 27% | 0.27 | 27% | 0.272 | S | S | . | . | trans | -111.7 | -167.1 | 176.4 | 75.4 | 0 | 0 | 0 | 0 | 110.1 | S591 T592 L685 | T589-S591 VanDerWaalsContact C-N 3.25Å; T589-S591 PolarHBondContact O-N 3.23Å; T589-S591 PolarHBondContact OG1-N 2.84Å; T589-T592 VanDerWaalsContact CG2-OG1 3.31Å; T589-T592 WeakPolarHBondContact CG2-OG1 3.41Å; T589-T592 PolarHBondContact N-O 2.88Å; T589-T592 PolarHBondContact OG1-N 2.8Å; T589-T592 PolarHBondContact OG1-OG1 3.14Å; T589-L685 PolarHBondContact O-N 3.03Å | ||
| 590 | S | 84.7 | Confident | 83.3 | Confident | 26 Ų | 26 | 46.2 Ų | 46.2 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -75.2 | -10.9 | 172.2 | 56.1 | 0 | 0 | 0 | 0 | 114.2 | P655 L685 | S590-P655 WeakPolarHBondContact O-CA 3.12Å; S590-P655 WeakPolarHBondContact O-CG 3.31Å; S590-L685 WeakPolarHBondContact CA-O 3.48Å; S590-L685 VanDerWaalsContact CB-O 3.22Å; S590-L685 WeakPolarHBondContact CB-O 3.36Å |
| 591 | S | 86 | Confident | 82.3 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 33% | 0.329 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -146.2 | 3.2 | -179.2 | 60.9 | 0 | 0 | 0 | 0 | 115.5 | T589 G651 G652 L653 | T589-S591 VanDerWaalsContact C-N 3.25Å; T589-S591 PolarHBondContact O-N 3.23Å; T589-S591 PolarHBondContact OG1-N 2.84Å; S591-G651 CarbonylContact O-C 3.5Å; S591-G651 WeakPolarHBondContact O-CA 3.45Å; S591-G652 PolarHBondContact O-N 3.05Å; S591-L653 WeakPolarHBondContact CA-O 3.34Å; S591-L653 PolarHBondContact O-N 3.2Å |
| 592 | T | 86.5 | Confident | 80.8 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150 | 179.2 | 69 | 0 | 0 | 0 | 0 | 112.6 | T589 L650 | T589-T592 VanDerWaalsContact CG2-OG1 3.31Å; T589-T592 WeakPolarHBondContact CG2-OG1 3.41Å; T589-T592 PolarHBondContact N-O 2.88Å; T589-T592 PolarHBondContact OG1-N 2.8Å; T589-T592 PolarHBondContact OG1-OG1 3.14Å; T592-L650 CarbonylContact C-O 3.57Å; T592-L650 WeakPolarHBondContact CA-O 3.33Å; T592-L650 VanDerWaalsContact CB-O 3.28Å; T592-L650 WeakPolarHBondContact CB-O 3.23Å |
| 593 | V | 87.4 | Confident | 78.9 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.3 | 171.7 | 170.7 | 0 | 0 | 0 | 0 | 108.6 | A585 N587 V588 L595 L650 L653 F661 V682 T684 | A585-V593 HydrophobicContact CB-CG1 4.23Å; N587-V593 CarbonylContact O-C 3.55Å; N587-V593 WeakPolarHBondContact O-CA 3.18Å; V588-V593 HydrophobicContact CG1-CG2 4.03Å; V588-V593 HydrophobicContact CG2-CG1 4.47Å; V588-V593 HydrophobicContact CG2-CG2 4.21Å; V593-L595 HydrophobicContact CG1-CD2 3.55Å; V593-L595 HydrophobicContact CG1-CG 4.14Å; V593-L650 PolarHBondContact N-O 2.85Å; V593-L650 PolarHBondContact O-N 3.05Å; V593-L653 HydrophobicContact CB-CD1 3.78Å; V593-L653 HydrophobicContact CG2-CD1 3.46Å; V593-L653 VanDerWaalsContact CG2-CD1 3.46Å; V593-F661 HydrophobicContact CB-CZ 4.33Å; V593-F661 HydrophobicContact CG1-CE2 3.99Å; V593-F661 HydrophobicContact CG1-CZ 4.2Å; V593-F661 HydrophobicContact CG2-CZ 4.37Å; V593-V682 HydrophobicContact CG1-CG1 4.39Å; V593-V682 HydrophobicContact CG2-CG1 4.09Å; V593-T684 HydrophobicContact CG2-CG2 4.41Å |
| 594 | I | 89.5 | Confident | 76.5 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 16% | 0.159 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.3 | 170.2 | -54.9 | -173.9 | 0 | 0 | 0 | 109.1 | A585 T586 N587 V648 Q649 | A585-I594 CarbonylContact C-O 3.51Å; A585-I594 VanDerWaalsContact CA-O 3.29Å; A585-I594 WeakPolarHBondContact CA-O 3.2Å; T586-I594 PolarHBondContact N-O 2.89Å; T586-I594 WeakPolarHBondContact OG1-CG2 3.5Å; N587-I594 HydrophobicContact CB-CB 4.18Å; N587-I594 HydrophobicContact CB-CD1 3.88Å; N587-I594 HydrophobicContact CB-CG1 3.99Å; N587-I594 PolarHBondContact O-N 3.47Å; I594-V648 CarbonylContact C-O 3.57Å; I594-V648 WeakPolarHBondContact CA-O 3.45Å; I594-Q649 HydrophobicContact CD1-CG 4.49Å; I594-Q649 HydrophobicContact CG1-CB 4.07Å; I594-Q649 HydrophobicContact CG1-CG 3.98Å |
| 595 | L | 89.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143.1 | 175.5 | -51 | 175.2 | 0 | 0 | 0 | 110.3 | L583 K584 A585 V593 W597 V624 T647 V648 L650 F661 L679 | L583-L595 HydrophobicContact CD1-CB 4.38Å; K584-L595 WeakPolarHBondContact O-CA 3.32Å; A585-L595 HydrophobicContact CB-CD2 4.03Å; V593-L595 HydrophobicContact CG1-CD2 3.55Å; V593-L595 HydrophobicContact CG1-CG 4.14Å; L595-W597 HydrophobicContact CB-CZ3 4.31Å; L595-V624 HydrophobicContact CD1-CG1 3.98Å; L595-T647 CarbonylContact O-C 3.57Å; L595-T647 VanDerWaalsContact O-CA 3.28Å; L595-T647 WeakPolarHBondContact O-CA 3.42Å; L595-V648 HydrophobicContact CB-CG1 3.97Å; L595-V648 HydrophobicContact CD1-CG1 4.37Å; L595-V648 HydrophobicContact CG-CG1 4.43Å; L595-V648 PolarHBondContact N-O 2.83Å; L595-V648 PolarHBondContact O-N 2.64Å; L595-L650 HydrophobicContact CD1-CD1 3.85Å; L595-F661 HydrophobicContact CD1-CB 3.83Å; L595-F661 HydrophobicContact CD1-CD1 3.85Å; L595-F661 HydrophobicContact CD1-CD2 4.23Å; L595-F661 HydrophobicContact CD1-CE1 4.48Å; L595-F661 HydrophobicContact CD1-CG 3.71Å; L595-F661 HydrophobicContact CD2-CD2 3.81Å; L595-F661 HydrophobicContact CD2-CE2 4.17Å; L595-F661 HydrophobicContact CD2-CG 4.15Å; L595-L679 HydrophobicContact CD2-CD2 3.91Å |
| 596 | V | 90.3 | Very high | 71.2 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.9 | 178.3 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | L583 K584 T586 H646 | L583-V596 CarbonylContact C-O 3.57Å; L583-V596 WeakPolarHBondContact CA-O 3.33Å; K584-V596 PolarHBondContact N-O 2.78Å; K584-V596 PolarHBondContact O-N 3.1Å; T586-V596 HydrophobicContact CG2-CB 4.25Å; T586-V596 HydrophobicContact CG2-CG2 3.66Å; V596-H646 WeakPolarHBondContact CA-O 3.28Å |
| 597 | W | 89 | Confident | 68.9 | Low | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.008 | 39% | 0.391 | C | S | . | . | trans | -148.2 | 159.6 | 176.6 | 57.3 | 90.6 | 0 | 0 | 0 | 111.3 | P580 L583 L595 Y622 V624 W643 A645 H646 V648 I663 | P580-W597 HydrophobicContact CB-CB 4.25Å; P580-W597 HydrophobicContact CB-CG 4.18Å; L583-W597 HydrophobicContact CB-CB 4.37Å; L583-W597 HydrophobicContact CD1-CB 4.23Å; L583-W597 HydrophobicContact CD1-CE3 4.09Å; L595-W597 HydrophobicContact CB-CZ3 4.31Å; W597-Y622 AromaticContact CE2-CD1 3.99Å; W597-Y622 AromaticContact CE2-CG 3.83Å; W597-Y622 HydrophobicContact CZ2-CD1 4.21Å; W597-Y622 AromaticContact CZ2-CD2 3.77Å; W597-Y622 HydrophobicContact CZ2-CD2 3.77Å; W597-Y622 AromaticContact CZ2-CG 3.6Å; W597-Y622 HydrophobicContact CZ2-CG 3.6Å; W597-Y622 AromaticContact NE1-CD1 3.35Å; W597-Y622 VanDerWaalsContact NE1-CD1 3.35Å; W597-Y622 AromaticContact NE1-CD2 3.72Å; W597-Y622 AromaticContact NE1-CE1 3.33Å; W597-Y622 VanDerWaalsContact NE1-CE1 3.33Å; W597-Y622 AromaticContact NE1-CE2 3.73Å; W597-Y622 AromaticContact NE1-CG 3.55Å; W597-Y622 AromaticContact NE1-CZ 3.55Å; W597-V624 HydrophobicContact CH2-CG2 4.41Å; W597-W643 AromaticContact CH2-CD1 3.95Å; W597-A645 WeakPolarHBondContact CZ2-O 3.4Å; W597-H646 PolarHBondContact N-O 2.75Å; W597-H646 VanDerWaalsContact N-O 3.11Å; W597-H646 WeakPolarHBondContact O-CB 3.36Å; W597-V648 HydrophobicContact CH2-CB 4.15Å; W597-V648 HydrophobicContact CH2-CG1 3.99Å; W597-V648 HydrophobicContact CZ3-CB 4.29Å; W597-V648 HydrophobicContact CZ3-CG1 3.74Å; W597-I663 HydrophobicContact CD2-CD1 4.21Å; W597-I663 HydrophobicContact CD2-CG1 3.96Å; W597-I663 HydrophobicContact CD2-CG2 4.21Å; W597-I663 HydrophobicContact CE3-CD1 3.69Å; W597-I663 HydrophobicContact CE3-CG1 3.81Å; W597-I663 HydrophobicContact CG-CG1 4.41Å; W597-I663 HydrophobicContact CH2-CD1 3.98Å; W597-I663 HydrophobicContact CZ2-CD1 4.46Å; W597-I663 HydrophobicContact CZ2-CG2 4.22Å; W597-I663 HydrophobicContact CZ3-CD1 3.56Å; W597-I663 HydrophobicContact CZ3-CG1 4.21Å | ||
| 598 | D | 82.7 | Confident | 66.7 | Low | 82 Ų | 82 | 71.2 Ų | 71.2 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | trans | -87.6 | 161.1 | 176.6 | -76.4 | -34.5 | 0 | 0 | 0 | 112.5 | E581 N582 | E581-D598 PolarHBondContact O-N 2.89Å; N582-D598 HydrophobicContact CB-CB 4.45Å; N582-D598 WeakPolarHBondContact CB-OD2 3.48Å; N582-D598 PolarHBondContact ND2-OD2 3.39Å | ||
| 599 | L | 72.8 | Confident | 64.3 | Low | 91 Ų | 91 | 78.8 Ų | 78.8 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | trans | -69.1 | 136.3 | 175.7 | -65.1 | 174.1 | 0 | 0 | 0 | 110.1 | F601 Y622 | L599-F601 PolarHBondContact O-N 3.12Å; L599-Y622 WeakPolarHBondContact CD2-OH 3.45Å | ||
| 600 | P | 64.1 | Low | 61.6 | Low | 14 Ų | 14 | 78.9 Ų | 78.9 | 9% | 0.091 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -71.3 | 11.8 | -177.5 | 30.1 | -36.8 | 0 | 0 | 0 | 114.8 | P578 | P578-P600 HydrophobicContact CB-CB 4.03Å; P578-P600 HydrophobicContact CG-CB 4.39Å; P578-P600 VanDerWaalsContact O-CB 3.27Å; P578-P600 WeakPolarHBondContact O-CB 3.06Å |
| 601 | F | 60.7 | Low | 59.1 | Low | 110 Ų | 110 | 84.4 Ų | 84.4 | 48% | 0.482 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -148.8 | 138.9 | 171.2 | -66.1 | -77.4 | 0 | 0 | 0 | 109.9 | L577 P578 L599 | L577-F601 HydrophobicContact CD2-CE2 3.78Å; P578-F601 VanDerWaalsContact CD-CE2 3.49Å; P578-F601 HydrophobicContact CG-CD1 4.48Å; P578-F601 HydrophobicContact CG-CE1 3.8Å; P578-F601 HydrophobicContact CG-CE2 4.02Å; P578-F601 HydrophobicContact CG-CZ 3.54Å; L599-F601 PolarHBondContact O-N 3.12Å |
| 602 | P | 46.3 | Very low | 56.4 | Low | 109 Ų | 109 | 85.6 Ų | 85.6 | 71% | 0.708 | 47% | 0.471 | S | S | * | . | trans | -63.2 | 149 | 160.1 | 29.8 | -34.1 | 0 | 0 | 0 | 109.6 | L604 | P602-L604 PolarHBondContact O-N 3.31Š| ||
| 603 | P | 40.1 | Very low | 53.8 | Low | 124 Ų | 124 | 88.3 Ų | 88.3 | 81% | 0.805 | 49% | 0.492 | S | S | * | . | trans | -62.7 | 114.2 | 179.2 | 25.6 | -33.6 | 0 | 0 | 0 | 110.2 | ||||
| 604 | L | 36.6 | Very low | 51.1 | Low | 160 Ų | 160 | 92.4 Ų | 92.4 | 84% | 0.838 | 52% | 0.518 | S | S | * | . | trans | -53.1 | 131 | 177.2 | -76.8 | 167.6 | 0 | 0 | 0 | 110.2 | P602 S606 | P602-L604 PolarHBondContact O-N 3.31Å; L604-S606 PolarHBondContact O-N 2.95Å | ||
| 605 | P | 31.5 | Very low | 48.3 | Very low | 102 Ų | 102 | 97.4 Ų | 97.4 | 66% | 0.662 | 54% | 0.542 | S | S | * | . | trans | -53.3 | 133.5 | 176.4 | -27.2 | 35.2 | 0 | 0 | 0 | 111.3 | Q607 | P605-Q607 PolarHBondContact O-N 3.48Š| ||
| 606 | S | 30.1 | Very low | 45.9 | Very low | 123 Ų | 123 | 103.8 Ų | 103.8 | 86% | 0.86 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 58 | -170.5 | 63.3 | 0 | 0 | 0 | 0 | 113.1 | L604 | L604-S606 PolarHBondContact O-N 2.95Š|
| 607 | Q | 32.4 | Very low | 43.4 | Very low | 167 Ų | 167 | 105.9 Ų | 105.9 | 78% | 0.78 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | -12.8 | -171 | -73.5 | -171.9 | -35.8 | 0 | 0 | 115.8 | P605 | P605-Q607 PolarHBondContact O-N 3.48Š|
| 608 | E | 31.9 | Very low | 41.8 | Very low | 150 Ų | 150 | 113.4 Ų | 113.4 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -103.1 | -0.6 | 177.4 | -65.6 | -159.4 | 130 | 0 | 0 | 115.1 | T610 L1238 | E608-T610 VanDerWaalsContact C-N 3.26Å; E608-T610 PolarHBondContact O-N 2.91Å; E608-L1238 HydrophobicContact CG-CD2 4.43Å; E608-L1238 WeakPolarHBondContact O-CD1 3.36Å |
| 609 | F | 32.9 | Very low | 41 | Very low | 198 Ų | 198 | 114.1 Ų | 114.1 | 87% | 0.868 | 62% | 0.623 | S | S | * | * | trans | -76.6 | 71.3 | 178.6 | -103.3 | -82.5 | 0 | 0 | 0 | 112.9 | ||||
| 610 | T | 29.6 | Very low | 41.1 | Very low | 47 Ų | 47 | 111.7 Ų | 111.7 | 29% | 0.288 | 61% | 0.61 | S | S | . | * | trans | -116.8 | 122.3 | 175.5 | 69.9 | 0 | 0 | 0 | 0 | 113.8 | E608 L1238 | E608-T610 VanDerWaalsContact C-N 3.26Å; E608-T610 PolarHBondContact O-N 2.91Å; T610-L1238 WeakPolarHBondContact OG1-CB 3.11Å; T610-L1238 WeakPolarHBondContact OG1-CD1 3.4Å; T610-L1238 VanDerWaalsContact OG1-CG 3.27Å; T610-L1238 WeakPolarHBondContact OG1-CG 3.28Å; T610-L1238 PolarHBondContact OG1-N 3.25Å | ||
| 611 | R | 31.6 | Very low | 42.1 | Very low | 141 Ų | 141 | 111.2 Ų | 111.2 | 53% | 0.532 | 61% | 0.606 | S | S | . | * | S | Bend | trans | 86.4 | 67.8 | 153.7 | -147.7 | 177.9 | -93.2 | -168.4 | 2.6 | 116.7 | P1235 N1236 T1237 | R611-P1235 PolarHBondContact NH2-O 2.81Å; R611-N1236 HydrophobicContact CB-CB 3.79Å; R611-N1236 VanDerWaalsContact CB-O 3.28Å; R611-N1236 WeakPolarHBondContact CB-O 3.31Å; R611-N1236 WeakPolarHBondContact CD-O 3.47Å; R611-N1236 HydrophobicContact CG-CB 4.23Å; R611-N1236 WeakPolarHBondContact CG-O 3.22Å; R611-N1236 VanDerWaalsContact N-CB 3.27Å; R611-N1236 PolarHBondContact N-ND2 3.23Å; R611-N1236 PolarHBondContact NE-O 3.1Å; R611-N1236 PolarHBondContact NH2-O 3.39Å; R611-T1237 PolarHBondContact NH2-OG1 2.72Å |
| 612 | G | 29.1 | Very low | 43.4 | Very low | 73 Ų | 73 | 106.1 Ų | 106.1 | 75% | 0.753 | 58% | 0.584 | S | S | * | * | 94.4 | 61.7 | 127.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 613 | S | 31.9 | Very low | 45.5 | Very low | 83 Ų | 83 | 103.2 Ų | 103.2 | 58% | 0.58 | 56% | 0.559 | S | S | * | * | trans | -148.7 | 139.9 | 146.5 | 58.4 | 0 | 0 | 0 | 0 | 109.9 | M615 | S613-M615 VanDerWaalsContact C-N 3.29Å; S613-M615 PolarHBondContact O-N 2.72Å; S613-M615 VanDerWaalsContact O-N 3.07Å | ||
| 614 | P | 31.4 | Very low | 47.9 | Very low | 86 Ų | 86 | 97.3 Ų | 97.3 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | trans | -80.5 | 80.5 | 169.8 | 33.1 | -32.3 | 0 | 0 | 0 | 108.7 | N616 H1547 | P614-N616 PolarHBondContact O-N 2.6Å; P614-H1547 HydrophobicContact CB-CB 3.63Å; P614-H1547 HydrophobicContact CG-CB 3.74Å | ||
| 615 | M | 30.4 | Very low | 50.5 | Low | 136 Ų | 136 | 90 Ų | 90 | 67% | 0.67 | 48% | 0.482 | S | S | * | . | trans | -68.2 | 123 | 170.6 | -78.3 | -153.1 | 159.5 | 0 | 0 | 109.7 | S613 S617 | S613-M615 VanDerWaalsContact C-N 3.29Å; S613-M615 PolarHBondContact O-N 2.72Å; S613-M615 VanDerWaalsContact O-N 3.07Å; M615-S617 PolarHBondContact O-N 3.37Å | ||
| 616 | N | 38 | Very low | 53.4 | Low | 133 Ų | 133 | 85.7 Ų | 85.7 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | trans | -43.7 | 136.4 | 169.6 | -85.5 | -16 | 0 | 0 | 0 | 110.3 | P614 R618 | P614-N616 PolarHBondContact O-N 2.6Å; N616-R618 PolarHBondContact O-N 2.91Å | ||
| 617 | S | 38 | Very low | 56.2 | Low | 93 Ų | 93 | 79.9 Ų | 79.9 | 65% | 0.65 | 41% | 0.412 | S | S | * | . | trans | -59.7 | 106.1 | -177.3 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | M615 Q619 | M615-S617 PolarHBondContact O-N 3.37Å; S617-Q619 PolarHBondContact O-N 2.73Å | ||
| 618 | R | 56 | Low | 58.9 | Low | 160 Ų | 160 | 73 Ų | 73 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | trans | -68.2 | 76.8 | 173.2 | -71.5 | -172 | 177.5 | 178.2 | -1.6 | 110.4 | N616 W667 | N616-R618 PolarHBondContact O-N 2.91Å; R618-W667 HydrophobicContact CB-CE3 4.26Å; R618-W667 HydrophobicContact CB-CZ3 4.08Å | ||
| 619 | Q | 64.6 | Low | 61.2 | Low | 97 Ų | 97 | 66.7 Ų | 66.7 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | trans | -64.1 | 150.8 | 169 | -72.1 | 174.6 | -8.2 | 0 | 0 | 110.1 | S617 N668 | S617-Q619 PolarHBondContact O-N 2.73Å; Q619-N668 WeakPolarHBondContact CB-OD1 3.42Å; Q619-N668 PolarHBondContact O-N 3.05Å; Q619-N668 PolarHBondContact O-OD1 3.03Å; Q619-N668 PolarHBondContact OE1-ND2 2.91Å; Q619-N668 VanDerWaalsContact OE1-ND2 3.1Å | ||
| 620 | I | 76 | Confident | 63.5 | Low | 40 Ų | 40 | 61.6 Ų | 61.6 | 21% | 0.205 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 141.4 | 170.7 | -63.5 | 172.2 | 0 | 0 | 0 | 107 | L577 Y622 P665 R666 W667 | L577-I620 HydrophobicContact CD1-CB 4.49Å; L577-I620 HydrophobicContact CD1-CD1 4.17Å; L577-I620 HydrophobicContact CD1-CG1 3.99Å; L577-I620 HydrophobicContact CD1-CG2 3.82Å; L577-I620 HydrophobicContact CD2-CD1 3.86Å; L577-I620 HydrophobicContact CD2-CG1 4.39Å; I620-Y622 HydrophobicContact CG2-CE1 4.06Å; I620-Y622 HydrophobicContact CG2-CE2 4.23Å; I620-P665 HydrophobicContact CG2-CB 4.24Å; I620-R666 WeakPolarHBondContact CA-O 3.47Å; I620-W667 HydrophobicContact CG1-CE3 4.2Å; I620-W667 HydrophobicContact CG1-CZ3 4.21Å |
| 621 | T | 84.9 | Confident | 65.8 | Low | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 164.3 | 169.5 | 49.8 | 0 | 0 | 0 | 0 | 110.4 | N642 W643 H644 P665 R666 N668 | T621-N642 HydrophobicContact CG2-CB 4.26Å; T621-N642 WeakPolarHBondContact CG2-O 3.38Å; T621-W643 CarbonylContact C-O 3.46Å; T621-W643 WeakPolarHBondContact CA-O 3.01Å; T621-H644 VanDerWaalsContact CG2-CE1 3.42Å; T621-H644 WeakPolarHBondContact CG2-CE1 3.46Å; T621-H644 WeakPolarHBondContact CG2-ND1 3.49Å; T621-P665 CarbonylContact O-C 3.53Å; T621-R666 PolarHBondContact N-O 2.7Å; T621-R666 PolarHBondContact O-N 2.97Å; T621-R666 PolarHBondContact OG1-O 3.06Å; T621-N668 WeakPolarHBondContact CG2-OD1 3.49Å |
| 622 | Y | 87.5 | Confident | 67.7 | Low | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.3 | -176.3 | -59 | -80.5 | 0 | 0 | 0 | 111.3 | P580 W597 L599 I620 N642 W643 A645 I663 R664 P665 | P580-Y622 HydrophobicContact CG-CD1 4.35Å; P580-Y622 HydrophobicContact CG-CE1 4.18Å; W597-Y622 AromaticContact CE2-CD1 3.99Å; W597-Y622 AromaticContact CE2-CG 3.83Å; W597-Y622 HydrophobicContact CZ2-CD1 4.21Å; W597-Y622 AromaticContact CZ2-CD2 3.77Å; W597-Y622 HydrophobicContact CZ2-CD2 3.77Å; W597-Y622 AromaticContact CZ2-CG 3.6Å; W597-Y622 HydrophobicContact CZ2-CG 3.6Å; W597-Y622 AromaticContact NE1-CD1 3.35Å; W597-Y622 VanDerWaalsContact NE1-CD1 3.35Å; W597-Y622 AromaticContact NE1-CD2 3.72Å; W597-Y622 AromaticContact NE1-CE1 3.33Å; W597-Y622 VanDerWaalsContact NE1-CE1 3.33Å; W597-Y622 AromaticContact NE1-CE2 3.73Å; W597-Y622 AromaticContact NE1-CG 3.55Å; W597-Y622 AromaticContact NE1-CZ 3.55Å; L599-Y622 WeakPolarHBondContact CD2-OH 3.45Å; I620-Y622 HydrophobicContact CG2-CE1 4.06Å; I620-Y622 HydrophobicContact CG2-CE2 4.23Å; Y622-N642 CarbonylContact O-C 3.52Å; Y622-N642 PolarHBondContact O-N 3.06Å; Y622-W643 WeakPolarHBondContact CD2-O 3.38Å; Y622-W643 PolarHBondContact N-O 2.94Å; Y622-W643 PolarHBondContact O-N 3.26Å; Y622-A645 WeakPolarHBondContact CD2-O 3.49Å; Y622-I663 HydrophobicContact CD1-CG2 3.7Å; Y622-I663 HydrophobicContact CG-CG2 4.2Å; Y622-R664 CarbonylContact C-O 3.55Å; Y622-R664 VanDerWaalsContact CA-O 3.29Å; Y622-R664 WeakPolarHBondContact CA-O 3.5Å; Y622-P665 HydrophobicContact CD1-CB 4.11Å; Y622-P665 HydrophobicContact CE1-CB 3.9Å |
| 623 | W | 90.9 | Very high | 69.9 | Low | 47 Ų | 47 | 62.2 Ų | 62.2 | 18% | 0.178 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 140.4 | 164.9 | -66.7 | 12.1 | 0 | 0 | 0 | 108.1 | W554 V638 E640 N642 I663 R664 | W554-W623 AromaticContact CH2-CE3 3.93Å; W554-W623 HydrophobicContact CH2-CE3 3.93Å; W554-W623 HydrophobicContact CH2-CH2 4.4Å; W554-W623 AromaticContact CH2-CZ3 3.47Å; W554-W623 HydrophobicContact CH2-CZ3 3.47Å; W554-W623 VanDerWaalsContact CH2-CZ3 3.47Å; W554-W623 HydrophobicContact CZ2-CH2 4.32Å; W554-W623 AromaticContact CZ2-CZ3 3.8Å; W554-W623 HydrophobicContact CZ2-CZ3 3.8Å; W554-W623 HydrophobicContact CZ3-CZ3 4.41Å; W623-V638 HydrophobicContact CB-CG1 4.28Å; W623-V638 HydrophobicContact CE3-CG1 4.46Å; W623-E640 WeakPolarHBondContact CA-O 3.4Å; W623-N642 VanDerWaalsContact CD1-N 3.32Å; W623-N642 PolarHBondContact NE1-OD1 3.23Å; W623-I663 CarbonylContact O-C 3.59Å; W623-I663 WeakPolarHBondContact O-CA 3.34Å; W623-R664 HydrophobicContact CB-CB 4.36Å; W623-R664 PolarHBondContact N-O 3.22Å; W623-R664 PolarHBondContact O-N 2.88Å |
| 624 | V | 91.6 | Very high | 72.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.8 | 179.4 | -171.4 | 0 | 0 | 0 | 0 | 107.7 | L595 W597 V638 V639 E640 V648 L650 I663 | L595-V624 HydrophobicContact CD1-CG1 3.98Å; W597-V624 HydrophobicContact CH2-CG2 4.41Å; V624-V638 CarbonylContact O-C 3.58Å; V624-V638 WeakPolarHBondContact O-CA 3.29Å; V624-V639 HydrophobicContact CB-CG2 4.1Å; V624-V639 HydrophobicContact CG1-CG2 3.96Å; V624-V639 WeakPolarHBondContact O-CG2 3.48Å; V624-V639 PolarHBondContact O-N 3.48Å; V624-E640 HydrophobicContact CB-CB 3.98Å; V624-E640 HydrophobicContact CG2-CB 3.81Å; V624-E640 PolarHBondContact N-O 3.14Å; V624-E640 PolarHBondContact O-N 3.33Å; V624-V648 HydrophobicContact CG2-CG1 4.19Å; V624-L650 HydrophobicContact CG1-CD1 4.15Å; V624-L650 HydrophobicContact CG1-CD2 4.46Å; V624-I663 HydrophobicContact CB-CD1 4.2Å; V624-I663 HydrophobicContact CG1-CD1 3.91Å; V624-I663 HydrophobicContact CG2-CD1 3.82Å |
| 625 | E | 91.1 | Very high | 74.4 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 3% | 0.028 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 142.4 | 176.9 | -35.1 | -174.3 | 155.1 | 0 | 0 | 109.4 | W636 I637 V638 F661 L662 R664 | E625-W636 HydrophobicContact CB-CE3 4.23Å; E625-I637 CarbonylContact C-O 3.56Å; E625-I637 VanDerWaalsContact CA-O 3.27Å; E625-I637 WeakPolarHBondContact CA-O 3.35Å; E625-V638 HydrophobicContact CG-CG1 4.5Å; E625-V638 HydrophobicContact CG-CG2 4.06Å; E625-F661 CarbonylContact O-C 3.38Å; E625-F661 VanDerWaalsContact O-CA 3.29Å; E625-F661 WeakPolarHBondContact O-CA 3.39Å; E625-L662 HydrophobicContact CB-CD1 4.14Å; E625-L662 HydrophobicContact CB-CG 4.04Å; E625-L662 HydrophobicContact CG-CD1 3.78Å; E625-L662 HydrophobicContact CG-CG 4.26Å; E625-L662 PolarHBondContact N-O 3.22Å; E625-L662 PolarHBondContact O-N 3.15Å; E625-L662 WeakPolarHBondContact OE2-CD1 3.48Å; E625-R664 WeakPolarHBondContact OE1-CD 3.46Å; E625-R664 IonicContact OE1-CZ 3.59Å; E625-R664 IonicContact OE1-NE 2.69Å; E625-R664 PolarHBondContact OE1-NE 3.25Å; E625-R664 IonicContact OE1-NH2 3.44Å; E625-R664 IonicContact OE2-CZ 2.84Å; E625-R664 IonicContact OE2-NE 2.7Å; E625-R664 PolarHBondContact OE2-NE 3.07Å; E625-R664 IonicContact OE2-NH2 2.72Å; E625-R664 PolarHBondContact OE2-NH2 2.94Å |
| 626 | L | 91.5 | Very high | 77.1 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.063 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 157.2 | 171.7 | 72.9 | 70.7 | 0 | 0 | 0 | 112.5 | R628 W636 I637 V639 L653 Y659 Y660 F661 | L626-R628 HydrophobicContact CD1-CG 4.39Å; L626-W636 WeakPolarHBondContact O-CA 3.29Å; L626-I637 HydrophobicContact CD1-CB 4.32Å; L626-I637 HydrophobicContact CD1-CD1 4.23Å; L626-I637 PolarHBondContact N-O 2.94Å; L626-I637 PolarHBondContact O-N 3.02Å; L626-V639 HydrophobicContact CD2-CG1 3.63Å; L626-V639 HydrophobicContact CG-CG1 3.79Å; L626-L653 HydrophobicContact CD2-CD2 4.11Å; L626-Y659 HydrophobicContact CD1-CD1 4.13Å; L626-Y659 HydrophobicContact CD1-CE1 4.31Å; L626-Y659 HydrophobicContact CD2-CD1 3.94Å; L626-Y659 HydrophobicContact CD2-CE1 4.04Å; L626-Y659 HydrophobicContact CG-CD1 4.49Å; L626-Y660 CarbonylContact C-O 3.2Å; L626-Y660 WeakPolarHBondContact CA-O 3.27Å; L626-Y660 WeakPolarHBondContact CB-O 3.22Å; L626-F661 HydrophobicContact CB-CD1 3.65Å; L626-F661 HydrophobicContact CB-CE1 3.75Å; L626-F661 HydrophobicContact CD2-CE1 4.15Å |
| 627 | Y | 89.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147 | 172.6 | 175.5 | -103.2 | 0 | 0 | 0 | 110.7 | W433 L434 A435 P629 P632 G635 W636 Y659 Y660 | W433-Y627 WeakPolarHBondContact O-CE1 3.39Å; W433-Y627 PolarHBondContact O-OH 2.9Å; W433-Y627 VanDerWaalsContact O-OH 3.09Å; L434-Y627 HydrophobicContact CD2-CD1 3.75Å; L434-Y627 HydrophobicContact CD2-CE1 3.97Å; A435-Y627 HydrophobicContact CB-CD2 4.01Å; A435-Y627 HydrophobicContact CB-CE2 3.63Å; Y627-P629 HydrophobicContact CD1-CG 4.46Å; Y627-P629 HydrophobicContact CE1-CB 4.49Å; Y627-P629 HydrophobicContact CE1-CG 4.25Å; Y627-P632 WeakPolarHBondContact OH-CA 3.5Å; Y627-P632 WeakPolarHBondContact OH-CB 3.42Å; Y627-G635 WeakPolarHBondContact CD2-O 3.43Å; Y627-W636 HydrophobicContact CG-CZ2 4.41Å; Y627-Y659 WeakPolarHBondContact O-CA 3.39Å; Y627-Y660 HydrophobicContact CD1-CD2 4.32Å; Y627-Y660 PolarHBondContact N-O 2.6Å; Y627-Y660 PolarHBondContact O-N 3.24Å |
| 628 | R | 87.7 | Confident | 81.8 | Confident | 23 Ų | 23 | 48.1 Ų | 48.1 | 9% | 0.087 | 24% | 0.236 | C | C | . | . | trans | -122.2 | 111.6 | -178.9 | -84.6 | -173.3 | 72.2 | 148.8 | 3.9 | 111 | L626 D630 R631 Q654 Y659 | L626-R628 HydrophobicContact CD1-CG 4.39Å; R628-D630 WeakPolarHBondContact CB-OD1 3.11Å; R628-D630 IonicContact CZ-OD1 3.7Å; R628-D630 IonicContact CZ-OD2 2.71Å; R628-D630 IonicContact NE-OD1 3.11Å; R628-D630 PolarHBondContact NE-OD1 2.86Å; R628-D630 IonicContact NE-OD2 3.5Å; R628-D630 IonicContact NH2-OD1 3.26Å; R628-D630 PolarHBondContact NH2-OD1 3.38Å; R628-D630 IonicContact NH2-OD2 3.72Å; R628-D630 PolarHBondContact NH2-OD2 2.91Å; R628-D630 PolarHBondContact O-N 2.89Å; R628-R631 HydrophobicContact CB-CB 4.15Å; R628-R631 CarbonylContact O-C 3.59Å; R628-R631 PolarHBondContact O-N 3.3Å; R628-Q654 VanDerWaalsContact CZ-OE1 3.3Å; R628-Y659 HydrophobicContact CG-CD1 3.82Å; R628-Y659 HydrophobicContact CG-CE1 3.71Å | ||
| 629 | P | 81.2 | Confident | 83.4 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.5 | 178.4 | -21.4 | 33.1 | 0 | 0 | 0 | 114.2 | Y432 Y627 R631 I658 Y660 | Y432-P629 HydrophobicContact CD1-CB 3.5Å; Y432-P629 HydrophobicContact CD1-CG 4.25Å; Y432-P629 HydrophobicContact CE1-CB 4.3Å; Y432-P629 HydrophobicContact CG-CB 4.01Å; Y432-P629 HydrophobicContact CG-CG 4.37Å; Y627-P629 HydrophobicContact CD1-CG 4.46Å; Y627-P629 HydrophobicContact CE1-CB 4.49Å; Y627-P629 HydrophobicContact CE1-CG 4.25Å; P629-R631 VanDerWaalsContact C-N 3.28Å; P629-I658 WeakPolarHBondContact CD-O 3.43Å; P629-I658 HydrophobicContact CG-CG2 3.95Å; P629-Y660 HydrophobicContact CG-CD2 3.77Å; P629-Y660 HydrophobicContact CG-CE2 3.53Å |
| 630 | D | 80 | Confident | 84.5 | Confident | 90 Ų | 90 | 41.9 Ų | 41.9 | 48% | 0.481 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -12 | 174.5 | 74.1 | -58.5 | 0 | 0 | 0 | 113.1 | R628 P632 | R628-D630 WeakPolarHBondContact CB-OD1 3.11Å; R628-D630 IonicContact CZ-OD1 3.7Å; R628-D630 IonicContact CZ-OD2 2.71Å; R628-D630 IonicContact NE-OD1 3.11Å; R628-D630 PolarHBondContact NE-OD1 2.86Å; R628-D630 IonicContact NE-OD2 3.5Å; R628-D630 IonicContact NH2-OD1 3.26Å; R628-D630 PolarHBondContact NH2-OD1 3.38Å; R628-D630 IonicContact NH2-OD2 3.72Å; R628-D630 PolarHBondContact NH2-OD2 2.91Å; R628-D630 PolarHBondContact O-N 2.89Å; D630-P632 VanDerWaalsContact C-CD 3.49Å |
| 631 | R | 79.8 | Confident | 84.8 | Confident | 106 Ų | 106 | 46 Ų | 46 | 40% | 0.4 | 23% | 0.234 | S | C | . | . | trans | -131.6 | 61.5 | 176.1 | -55.7 | -172.1 | -175.6 | -160.2 | -1.6 | 110.7 | R628 P629 T633 D634 | R628-R631 HydrophobicContact CB-CB 4.15Å; R628-R631 CarbonylContact O-C 3.59Å; R628-R631 PolarHBondContact O-N 3.3Å; P629-R631 VanDerWaalsContact C-N 3.28Å; R631-T633 PolarHBondContact O-N 2.91Å; R631-D634 HydrophobicContact CB-CB 4.34Å; R631-D634 WeakPolarHBondContact CB-OD2 3.05Å; R631-D634 VanDerWaalsContact CD-OD2 3.26Å; R631-D634 WeakPolarHBondContact CD-OD2 3.35Å; R631-D634 WeakPolarHBondContact O-CB 3.46Å; R631-D634 PolarHBondContact O-N 2.7Å | ||
| 632 | P | 71.1 | Confident | 84.7 | Confident | 39 Ų | 39 | 49 Ų | 49 | 25% | 0.253 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -64.1 | -20.2 | -168.7 | 27.5 | -36.1 | 0 | 0 | 0 | 113.4 | L550 Y627 D630 D634 | L550-P632 HydrophobicContact CD2-CB 3.81Å; Y627-P632 WeakPolarHBondContact OH-CA 3.5Å; Y627-P632 WeakPolarHBondContact OH-CB 3.42Å; D630-P632 VanDerWaalsContact C-CD 3.49Å; P632-D634 VanDerWaalsContact C-N 3.35Å |
| 633 | T | 74.4 | Confident | 84.6 | Confident | 130 Ų | 130 | 52.9 Ų | 52.9 | 80% | 0.798 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -69.2 | -24.2 | 174.4 | 45.8 | 0 | 0 | 0 | 0 | 114.8 | R631 G635 | R631-T633 PolarHBondContact O-N 2.91Å; T633-G635 VanDerWaalsContact C-N 3.26Å; T633-G635 PolarHBondContact O-N 3.49Å |
| 634 | D | 78.5 | Confident | 84 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -76.6 | -18.9 | -171.6 | -62.3 | 7 | 0 | 0 | 0 | 111.6 | R631 P632 I637 | R631-D634 HydrophobicContact CB-CB 4.34Å; R631-D634 WeakPolarHBondContact CB-OD2 3.05Å; R631-D634 VanDerWaalsContact CD-OD2 3.26Å; R631-D634 WeakPolarHBondContact CD-OD2 3.35Å; R631-D634 WeakPolarHBondContact O-CB 3.46Å; R631-D634 PolarHBondContact O-N 2.7Å; P632-D634 VanDerWaalsContact C-N 3.35Å; D634-I637 HydrophobicContact CB-CD1 4.13Å |
| 635 | G | 79.4 | Confident | 83.5 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 9% | 0.093 | 30% | 0.298 | C | S | . | . | trans | 69.6 | -163.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y627 T633 | Y627-G635 WeakPolarHBondContact CD2-O 3.43Å; T633-G635 VanDerWaalsContact C-N 3.26Å; T633-G635 PolarHBondContact O-N 3.49Å | ||
| 636 | W | 86.8 | Confident | 83.2 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 13% | 0.125 | 32% | 0.318 | C | S | . | . | trans | -79.8 | 118.3 | 173.3 | -72.1 | 96 | 0 | 0 | 0 | 110 | L434 A435 I437 E625 L626 Y627 L662 P678 | L434-W636 HydrophobicContact CD2-CZ2 4.47Å; A435-W636 PolarHBondContact O-NE1 3.15Å; I437-W636 HydrophobicContact CD1-CZ2 3.83Å; I437-W636 HydrophobicContact CG1-CZ2 3.93Å; E625-W636 HydrophobicContact CB-CE3 4.23Å; L626-W636 WeakPolarHBondContact O-CA 3.29Å; Y627-W636 HydrophobicContact CG-CZ2 4.41Å; W636-L662 HydrophobicContact CD2-CD2 3.93Å; W636-L662 HydrophobicContact CE3-CD2 3.73Å; W636-L662 HydrophobicContact CE3-CG 4.08Å; W636-L662 HydrophobicContact CH2-CD2 4.17Å; W636-L662 HydrophobicContact CZ2-CD2 4.34Å; W636-L662 HydrophobicContact CZ3-CB 4.28Å; W636-L662 HydrophobicContact CZ3-CD2 3.86Å; W636-L662 HydrophobicContact CZ3-CG 4.06Å; W636-P678 HydrophobicContact CH2-CB 3.75Å; W636-P678 HydrophobicContact CZ2-CB 4.22Å | ||
| 637 | I | 86.3 | Confident | 83 | Confident | 70 Ų | 70 | 65.2 Ų | 65.2 | 36% | 0.359 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.1 | -175.1 | -50.4 | 176 | 0 | 0 | 0 | 109.3 | E625 L626 D634 V639 | E625-I637 CarbonylContact C-O 3.56Å; E625-I637 VanDerWaalsContact CA-O 3.27Å; E625-I637 WeakPolarHBondContact CA-O 3.35Å; L626-I637 HydrophobicContact CD1-CB 4.32Å; L626-I637 HydrophobicContact CD1-CD1 4.23Å; L626-I637 PolarHBondContact N-O 2.94Å; L626-I637 PolarHBondContact O-N 3.02Å; D634-I637 HydrophobicContact CB-CD1 4.13Å; I637-V639 PolarHBondContact O-N 2.9Å |
| 638 | V | 88.7 | Confident | 82.9 | Confident | 45 Ų | 45 | 65.3 Ų | 65.3 | 27% | 0.273 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 113.4 | 173.1 | -164.4 | 0 | 0 | 0 | 0 | 109.8 | W623 V624 E625 K641 | W623-V638 HydrophobicContact CB-CG1 4.28Å; W623-V638 HydrophobicContact CE3-CG1 4.46Å; V624-V638 CarbonylContact O-C 3.58Å; V624-V638 WeakPolarHBondContact O-CA 3.29Å; E625-V638 HydrophobicContact CG-CG1 4.5Å; E625-V638 HydrophobicContact CG-CG2 4.06Å; V638-K641 HydrophobicContact CG1-CD 4.22Å; V638-K641 VanDerWaalsContact CG1-CE 3.49Å; V638-K641 HydrophobicContact CG1-CG 3.59Å |
| 639 | V | 89 | Confident | 82.9 | Confident | 57 Ų | 57 | 70 Ų | 70 | 35% | 0.345 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -35.1 | -179 | -73.1 | 0 | 0 | 0 | 0 | 113.5 | V624 L626 I637 L650 | V624-V639 HydrophobicContact CB-CG2 4.1Å; V624-V639 HydrophobicContact CG1-CG2 3.96Å; V624-V639 WeakPolarHBondContact O-CG2 3.48Å; V624-V639 PolarHBondContact O-N 3.48Å; L626-V639 HydrophobicContact CD2-CG1 3.63Å; L626-V639 HydrophobicContact CG-CG1 3.79Å; I637-V639 PolarHBondContact O-N 2.9Å; V639-L650 HydrophobicContact CG2-CD1 4.11Å; V639-L650 HydrophobicContact CG2-CD2 3.81Å |
| 640 | E | 87.7 | Confident | 83.1 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 33% | 0.327 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.8 | 176 | -74.9 | -67.4 | 173 | 0 | 0 | 110.8 | W623 V624 V648 L650 | W623-E640 WeakPolarHBondContact CA-O 3.4Å; V624-E640 HydrophobicContact CB-CB 3.98Å; V624-E640 HydrophobicContact CG2-CB 3.81Å; V624-E640 PolarHBondContact N-O 3.14Å; V624-E640 PolarHBondContact O-N 3.33Å; E640-V648 HydrophobicContact CG-CG2 4.1Å; E640-L650 HydrophobicContact CG-CD2 3.86Å |
| 641 | K | 84.1 | Confident | 83.3 | Confident | 126 Ų | 126 | 67.9 Ų | 67.9 | 55% | 0.548 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 134.8 | -172.8 | -72.4 | -178.2 | -179.8 | 175.6 | 0 | 112 | V638 W643 | V638-K641 HydrophobicContact CG1-CD 4.22Å; V638-K641 VanDerWaalsContact CG1-CE 3.49Å; V638-K641 HydrophobicContact CG1-CG 3.59Å; K641-W643 PolarHBondContact O-N 3.01Å |
| 642 | N | 82 | Confident | 83.4 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.8 | 35.6 | -178.2 | -49.2 | -42.5 | 0 | 0 | 0 | 113.3 | T621 Y622 W623 H644 R666 | T621-N642 HydrophobicContact CG2-CB 4.26Å; T621-N642 WeakPolarHBondContact CG2-O 3.38Å; Y622-N642 CarbonylContact O-C 3.52Å; Y622-N642 PolarHBondContact O-N 3.06Å; W623-N642 VanDerWaalsContact CD1-N 3.32Å; W623-N642 PolarHBondContact NE1-OD1 3.23Å; N642-H644 PolarHBondContact O-CD2 3.02Å; N642-R666 PolarHBondContact OD1-NH1 3.43Å |
| 643 | W | 85 | Confident | 84.2 | Confident | 87 Ų | 87 | 65.2 Ų | 65.2 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 130.5 | -179.9 | -174.1 | -102.3 | 0 | 0 | 0 | 110.9 | W597 T621 Y622 K641 A645 T647 V648 | W597-W643 AromaticContact CH2-CD1 3.95Å; T621-W643 CarbonylContact C-O 3.46Å; T621-W643 WeakPolarHBondContact CA-O 3.01Å; Y622-W643 WeakPolarHBondContact CD2-O 3.38Å; Y622-W643 PolarHBondContact N-O 2.94Å; Y622-W643 PolarHBondContact O-N 3.26Å; K641-W643 PolarHBondContact O-N 3.01Å; W643-A645 PolarHBondContact NE1-O 2.93Å; W643-T647 PolarHBondContact NE1-O 3.3Å; W643-V648 HydrophobicContact CD2-CB 4.43Å; W643-V648 HydrophobicContact CD2-CG2 3.91Å; W643-V648 HydrophobicContact CE3-CG2 4.25Å; W643-V648 HydrophobicContact CG-CG2 4.41Å; W643-V648 HydrophobicContact CH2-CG2 4.24Å; W643-V648 HydrophobicContact CZ2-CB 4.2Å; W643-V648 HydrophobicContact CZ2-CG2 3.89Å; W643-V648 HydrophobicContact CZ3-CG2 4.4Å |
| 644 | H | 79.3 | Confident | 84.7 | Confident | 122 Ų | 122 | 63.1 Ų | 63.1 | 57% | 0.565 | 35% | 0.348 | S | S | * | . | trans | -92.7 | -11.2 | -169.1 | -68.9 | -85 | 0 | 0 | 0 | 115.1 | T621 N642 | T621-H644 VanDerWaalsContact CG2-CE1 3.42Å; T621-H644 WeakPolarHBondContact CG2-CE1 3.46Å; T621-H644 WeakPolarHBondContact CG2-ND1 3.49Å; N642-H644 PolarHBondContact O-CD2 3.02Å | ||
| 645 | A | 81.1 | Confident | 85 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -106.1 | 164.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W597 Y622 W643 T647 | W597-A645 WeakPolarHBondContact CZ2-O 3.4Å; Y622-A645 WeakPolarHBondContact CD2-O 3.49Å; W643-A645 PolarHBondContact NE1-O 2.93Å; A645-T647 VanDerWaalsContact C-N 3.29Å |
| 646 | H | 84.2 | Confident | 85.2 | Confident | 98 Ų | 98 | 66.3 Ų | 66.3 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -95.4 | 21.1 | 176.7 | 24.8 | 106.3 | 0 | 0 | 0 | 112.5 | V596 W597 | V596-H646 WeakPolarHBondContact CA-O 3.28Å; W597-H646 PolarHBondContact N-O 2.75Å; W597-H646 VanDerWaalsContact N-O 3.11Å; W597-H646 WeakPolarHBondContact O-CB 3.36Å |
| 647 | T | 87.3 | Confident | 85.1 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 41% | 0.411 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 139.1 | 174.7 | 175 | 0 | 0 | 0 | 0 | 108.9 | L595 W643 A645 | L595-T647 CarbonylContact O-C 3.57Å; L595-T647 VanDerWaalsContact O-CA 3.28Å; L595-T647 WeakPolarHBondContact O-CA 3.42Å; W643-T647 PolarHBondContact NE1-O 3.3Å; A645-T647 VanDerWaalsContact C-N 3.29Å |
| 648 | V | 86.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 143.9 | -179.2 | 71.1 | 0 | 0 | 0 | 0 | 110.7 | I594 L595 W597 V624 E640 W643 L650 | I594-V648 CarbonylContact C-O 3.57Å; I594-V648 WeakPolarHBondContact CA-O 3.45Å; L595-V648 HydrophobicContact CB-CG1 3.97Å; L595-V648 HydrophobicContact CD1-CG1 4.37Å; L595-V648 HydrophobicContact CG-CG1 4.43Å; L595-V648 PolarHBondContact N-O 2.83Å; L595-V648 PolarHBondContact O-N 2.64Å; W597-V648 HydrophobicContact CH2-CB 4.15Å; W597-V648 HydrophobicContact CH2-CG1 3.99Å; W597-V648 HydrophobicContact CZ3-CB 4.29Å; W597-V648 HydrophobicContact CZ3-CG1 3.74Å; V624-V648 HydrophobicContact CG2-CG1 4.19Å; E640-V648 HydrophobicContact CG-CG2 4.1Å; W643-V648 HydrophobicContact CD2-CB 4.43Å; W643-V648 HydrophobicContact CD2-CG2 3.91Å; W643-V648 HydrophobicContact CE3-CG2 4.25Å; W643-V648 HydrophobicContact CG-CG2 4.41Å; W643-V648 HydrophobicContact CH2-CG2 4.24Å; W643-V648 HydrophobicContact CZ2-CB 4.2Å; W643-V648 HydrophobicContact CZ2-CG2 3.89Å; W643-V648 HydrophobicContact CZ3-CG2 4.4Å; V648-L650 HydrophobicContact CG1-CG 4.48Å; V648-L650 HydrophobicContact CG2-CD2 4.29Å |
| 649 | Q | 88.8 | Confident | 85.1 | Confident | 123 Ų | 123 | 62.2 Ų | 62.2 | 58% | 0.575 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 105.6 | 173.5 | 176.6 | 175.7 | -28 | 0 | 0 | 109.4 | I594 | I594-Q649 HydrophobicContact CD1-CG 4.49Å; I594-Q649 HydrophobicContact CG1-CB 4.07Å; I594-Q649 HydrophobicContact CG1-CG 3.98Å |
| 650 | L | 86.1 | Confident | 85.2 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 6% | 0.058 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 141.1 | 172.1 | -57.2 | 178.6 | 0 | 0 | 0 | 109.5 | T592 V593 L595 V624 V639 E640 V648 F661 | T592-L650 CarbonylContact C-O 3.57Å; T592-L650 WeakPolarHBondContact CA-O 3.33Å; T592-L650 VanDerWaalsContact CB-O 3.28Å; T592-L650 WeakPolarHBondContact CB-O 3.23Å; V593-L650 PolarHBondContact N-O 2.85Å; V593-L650 PolarHBondContact O-N 3.05Å; L595-L650 HydrophobicContact CD1-CD1 3.85Å; V624-L650 HydrophobicContact CG1-CD1 4.15Å; V624-L650 HydrophobicContact CG1-CD2 4.46Å; V639-L650 HydrophobicContact CG2-CD1 4.11Å; V639-L650 HydrophobicContact CG2-CD2 3.81Å; E640-L650 HydrophobicContact CG-CD2 3.86Å; V648-L650 HydrophobicContact CG1-CG 4.48Å; V648-L650 HydrophobicContact CG2-CD2 4.29Å; L650-F661 HydrophobicContact CD1-CD1 3.79Å; L650-F661 HydrophobicContact CD1-CE1 3.42Å; L650-F661 VanDerWaalsContact CD1-CE1 3.42Å; L650-F661 HydrophobicContact CD1-CZ 4.23Å |
| 651 | G | 83.1 | Confident | 85.4 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 169.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S591 L653 | S591-G651 CarbonylContact O-C 3.5Å; S591-G651 WeakPolarHBondContact O-CA 3.45Å; G651-L653 VanDerWaalsContact C-N 3.27Å |
| 652 | G | 82.5 | Confident | 85.7 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 77% | 0.773 | 29% | 0.288 | S | S | * | . | trans | 75.4 | 16.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | S591 | S591-G652 PolarHBondContact O-N 3.05Š| ||
| 653 | L | 88.2 | Confident | 86.1 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 151.7 | 172.8 | -55.9 | 174.6 | 0 | 0 | 0 | 109.7 | S591 V593 L626 G651 Y659 F661 T684 | S591-L653 WeakPolarHBondContact CA-O 3.34Å; S591-L653 PolarHBondContact O-N 3.2Å; V593-L653 HydrophobicContact CB-CD1 3.78Å; V593-L653 HydrophobicContact CG2-CD1 3.46Å; V593-L653 VanDerWaalsContact CG2-CD1 3.46Å; L626-L653 HydrophobicContact CD2-CD2 4.11Å; G651-L653 VanDerWaalsContact C-N 3.27Å; L653-Y659 HydrophobicContact CB-CE2 3.95Å; L653-Y659 HydrophobicContact CD2-CD1 4.26Å; L653-Y659 HydrophobicContact CD2-CE1 3.76Å; L653-Y659 HydrophobicContact CD2-CE2 4.23Å; L653-F661 HydrophobicContact CD1-CZ 4.49Å; L653-T684 HydrophobicContact CB-CG2 3.97Å; L653-T684 HydrophobicContact CD1-CG2 4.22Å |
| 654 | Q | 84.6 | Confident | 86.3 | Confident | 85 Ų | 85 | 44.4 Ų | 44.4 | 40% | 0.397 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 143.4 | 176.6 | -68.2 | -169 | -62.1 | 0 | 0 | 110.2 | R628 T657 Y659 T684 | R628-Q654 VanDerWaalsContact CZ-OE1 3.3Å; Q654-T657 WeakPolarHBondContact CB-OG1 3.4Å; Q654-T657 WeakPolarHBondContact O-CB 3.36Å; Q654-Y659 PolarHBondContact N-OH 2.97Å; Q654-T684 WeakPolarHBondContact O-CB 3.29Å; Q654-T684 PolarHBondContact O-OG1 3.03Å |
| 655 | P | 85 | Confident | 86.8 | Confident | 41 Ų | 41 | 38.6 Ų | 38.6 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 155.6 | 172.7 | -21.7 | 31.8 | 0 | 0 | 0 | 112.7 | S590 T657 T684 L685 E687 | S590-P655 WeakPolarHBondContact O-CA 3.12Å; S590-P655 WeakPolarHBondContact O-CG 3.31Å; P655-T657 PolarHBondContact O-N 3.4Å; P655-T657 PolarHBondContact O-OG1 3.29Å; P655-T684 VanDerWaalsContact C-OG1 3.31Å; P655-L685 WeakPolarHBondContact CA-O 3.38Å; P655-L685 WeakPolarHBondContact CB-O 3.27Å; P655-E687 HydrophobicContact CB-CB 4.03Å; P655-E687 HydrophobicContact CG-CB 3.76Å |
| 656 | E | 83.5 | Confident | 86.8 | Confident | 112 Ų | 112 | 39.2 Ų | 39.2 | 52% | 0.523 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 30.3 | 170.4 | -151 | 162.8 | -152.4 | 0 | 0 | 113.8 | T684 L685 K686 | E656-T684 VanDerWaalsContact CA-O 3.31Å; E656-T684 WeakPolarHBondContact CA-O 3.4Å; E656-T684 PolarHBondContact N-O 3.42Å; E656-T684 PolarHBondContact N-OG1 3.34Å; E656-T684 VanDerWaalsContact N-OG1 3.12Å; E656-L685 PolarHBondContact N-O 2.8Å; E656-L685 VanDerWaalsContact N-O 3.13Å; E656-K686 IonicContact OE1-NZ 2.73Å; E656-K686 PolarHBondContact OE1-NZ 2.71Å; E656-K686 IonicContact OE2-NZ 3.42Å; E656-K686 PolarHBondContact OE2-NZ 3.3Å |
| 657 | T | 84.6 | Confident | 86.5 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | trans | -121.3 | 140.7 | -170.1 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | Q654 P655 Y659 T684 | Q654-T657 WeakPolarHBondContact CB-OG1 3.4Å; Q654-T657 WeakPolarHBondContact O-CB 3.36Å; P655-T657 PolarHBondContact O-N 3.4Å; P655-T657 PolarHBondContact O-OG1 3.29Å; T657-Y659 HydrophobicContact CG2-CD2 4.18Å; T657-Y659 HydrophobicContact CG2-CE2 3.55Å; T657-T684 PolarHBondContact N-OG1 3.2Å; T657-T684 PolarHBondContact O-N 3.03Å; T657-T684 PolarHBondContact O-OG1 3.01Å | ||
| 658 | I | 86 | Confident | 85.5 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 17% | 0.174 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 132.5 | 179.2 | -63.9 | 173.7 | 0 | 0 | 0 | 111 | Y432 P629 Y660 P681 L683 | Y432-I658 HydrophobicContact CE1-CD1 4.24Å; Y432-I658 HydrophobicContact CE2-CD1 3.78Å; Y432-I658 WeakPolarHBondContact OH-CD1 3.16Å; P629-I658 WeakPolarHBondContact CD-O 3.43Å; P629-I658 HydrophobicContact CG-CG2 3.95Å; I658-Y660 HydrophobicContact CG2-CD2 4.47Å; I658-Y660 HydrophobicContact CG2-CE2 4.14Å; I658-P681 HydrophobicContact CG2-CB 3.45Å; I658-P681 VanDerWaalsContact CG2-CB 3.45Å; I658-L683 HydrophobicContact CG1-CD1 4.01Å |
| 659 | Y | 89.3 | Confident | 84.4 | Confident | 9 Ų | 9 | 43.1 Ų | 43.1 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 150.3 | 173.9 | -67.6 | -90.6 | 0 | 0 | 0 | 111.4 | L626 Y627 R628 L653 Q654 T657 F661 V682 T684 | L626-Y659 HydrophobicContact CD1-CD1 4.13Å; L626-Y659 HydrophobicContact CD1-CE1 4.31Å; L626-Y659 HydrophobicContact CD2-CD1 3.94Å; L626-Y659 HydrophobicContact CD2-CE1 4.04Å; L626-Y659 HydrophobicContact CG-CD1 4.49Å; Y627-Y659 WeakPolarHBondContact O-CA 3.39Å; R628-Y659 HydrophobicContact CG-CD1 3.82Å; R628-Y659 HydrophobicContact CG-CE1 3.71Å; L653-Y659 HydrophobicContact CB-CE2 3.95Å; L653-Y659 HydrophobicContact CD2-CD1 4.26Å; L653-Y659 HydrophobicContact CD2-CE1 3.76Å; L653-Y659 HydrophobicContact CD2-CE2 4.23Å; Q654-Y659 PolarHBondContact N-OH 2.97Å; T657-Y659 HydrophobicContact CG2-CD2 4.18Å; T657-Y659 HydrophobicContact CG2-CE2 3.55Å; Y659-F661 HydrophobicContact CG-CZ 4.22Å; Y659-V682 PolarHBondContact N-O 3.25Å; Y659-V682 PolarHBondContact O-N 2.94Å; Y659-T684 HydrophobicContact CD2-CG2 4.12Å; Y659-T684 HydrophobicContact CE2-CG2 3.98Å |
| 660 | Y | 90.8 | Very high | 83.5 | Confident | 24 Ų | 24 | 37.6 Ų | 37.6 | 9% | 0.094 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.3 | 161.2 | -71.8 | -104.9 | 0 | 0 | 0 | 108.8 | L434 L626 Y627 P629 I658 L679 G680 P681 | L434-Y660 HydrophobicContact CD1-CE1 4.49Å; L434-Y660 HydrophobicContact CD2-CD1 3.83Å; L434-Y660 HydrophobicContact CD2-CD2 4.02Å; L434-Y660 HydrophobicContact CD2-CE1 3.96Å; L434-Y660 HydrophobicContact CD2-CE2 4.15Å; L434-Y660 HydrophobicContact CD2-CG 3.86Å; L626-Y660 CarbonylContact C-O 3.2Å; L626-Y660 WeakPolarHBondContact CA-O 3.27Å; L626-Y660 WeakPolarHBondContact CB-O 3.22Å; Y627-Y660 HydrophobicContact CD1-CD2 4.32Å; Y627-Y660 PolarHBondContact N-O 2.6Å; Y627-Y660 PolarHBondContact O-N 3.24Å; P629-Y660 HydrophobicContact CG-CD2 3.77Å; P629-Y660 HydrophobicContact CG-CE2 3.53Å; I658-Y660 HydrophobicContact CG2-CD2 4.47Å; I658-Y660 HydrophobicContact CG2-CE2 4.14Å; Y660-L679 CarbonylContact C-O 3.6Å; Y660-L679 VanDerWaalsContact CA-O 3.32Å; Y660-L679 WeakPolarHBondContact CA-O 3.41Å; Y660-G680 VanDerWaalsContact CD1-CA 3.47Å; Y660-G680 WeakPolarHBondContact CE1-O 3.38Å; Y660-P681 HydrophobicContact CE2-CB 3.98Å |
| 661 | F | 92 | Very high | 83.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.9 | -177.9 | -57.7 | -75.9 | 0 | 0 | 0 | 111.6 | V593 L595 E625 L626 L650 L653 Y659 P678 L679 V682 | V593-F661 HydrophobicContact CB-CZ 4.33Å; V593-F661 HydrophobicContact CG1-CE2 3.99Å; V593-F661 HydrophobicContact CG1-CZ 4.2Å; V593-F661 HydrophobicContact CG2-CZ 4.37Å; L595-F661 HydrophobicContact CD1-CB 3.83Å; L595-F661 HydrophobicContact CD1-CD1 3.85Å; L595-F661 HydrophobicContact CD1-CD2 4.23Å; L595-F661 HydrophobicContact CD1-CE1 4.48Å; L595-F661 HydrophobicContact CD1-CG 3.71Å; L595-F661 HydrophobicContact CD2-CD2 3.81Å; L595-F661 HydrophobicContact CD2-CE2 4.17Å; L595-F661 HydrophobicContact CD2-CG 4.15Å; E625-F661 CarbonylContact O-C 3.38Å; E625-F661 VanDerWaalsContact O-CA 3.29Å; E625-F661 WeakPolarHBondContact O-CA 3.39Å; L626-F661 HydrophobicContact CB-CD1 3.65Å; L626-F661 HydrophobicContact CB-CE1 3.75Å; L626-F661 HydrophobicContact CD2-CE1 4.15Å; L650-F661 HydrophobicContact CD1-CD1 3.79Å; L650-F661 HydrophobicContact CD1-CE1 3.42Å; L650-F661 VanDerWaalsContact CD1-CE1 3.42Å; L650-F661 HydrophobicContact CD1-CZ 4.23Å; L653-F661 HydrophobicContact CD1-CZ 4.49Å; Y659-F661 HydrophobicContact CG-CZ 4.22Å; F661-P678 CarbonylContact O-C 3.46Å; F661-P678 WeakPolarHBondContact O-CA 3.39Å; F661-L679 PolarHBondContact N-O 2.65Å; F661-L679 PolarHBondContact O-N 3.34Å; F661-V682 HydrophobicContact CD2-CB 4.42Å; F661-V682 HydrophobicContact CD2-CG2 3.98Å; F661-V682 HydrophobicContact CE2-CB 3.88Å; F661-V682 HydrophobicContact CE2-CG1 4.2Å; F661-V682 HydrophobicContact CE2-CG2 3.92Å |
| 662 | L | 90.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 156.2 | 165.3 | 74.8 | 80 | 0 | 0 | 0 | 111.1 | I437 E625 W636 R664 A675 | I437-L662 HydrophobicContact CD1-CD2 4.19Å; I437-L662 HydrophobicContact CG1-CD2 4.32Å; I437-L662 HydrophobicContact CG2-CD2 4.06Å; E625-L662 HydrophobicContact CB-CD1 4.14Å; E625-L662 HydrophobicContact CB-CG 4.04Å; E625-L662 HydrophobicContact CG-CD1 3.78Å; E625-L662 HydrophobicContact CG-CG 4.26Å; E625-L662 PolarHBondContact N-O 3.22Å; E625-L662 PolarHBondContact O-N 3.15Å; E625-L662 WeakPolarHBondContact OE2-CD1 3.48Å; W636-L662 HydrophobicContact CD2-CD2 3.93Å; W636-L662 HydrophobicContact CE3-CD2 3.73Å; W636-L662 HydrophobicContact CE3-CG 4.08Å; W636-L662 HydrophobicContact CH2-CD2 4.17Å; W636-L662 HydrophobicContact CZ2-CD2 4.34Å; W636-L662 HydrophobicContact CZ3-CB 4.28Å; W636-L662 HydrophobicContact CZ3-CD2 3.86Å; W636-L662 HydrophobicContact CZ3-CG 4.06Å; L662-R664 HydrophobicContact CD1-CG 3.81Å; L662-A675 HydrophobicContact CD1-CB 3.98Å; L662-A675 HydrophobicContact CD2-CB 4.47Å |
| 663 | I | 90.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 137.5 | 176.8 | -51.6 | -63.7 | 0 | 0 | 0 | 109.6 | P580 L583 W597 Y622 W623 V624 S676 | P580-I663 HydrophobicContact CG-CB 4.21Å; P580-I663 HydrophobicContact CG-CG2 3.92Å; L583-I663 HydrophobicContact CD1-CD1 4.16Å; L583-I663 HydrophobicContact CD1-CG1 3.59Å; L583-I663 HydrophobicContact CD2-CG1 3.88Å; L583-I663 HydrophobicContact CG-CG1 4.32Å; W597-I663 HydrophobicContact CD2-CD1 4.21Å; W597-I663 HydrophobicContact CD2-CG1 3.96Å; W597-I663 HydrophobicContact CD2-CG2 4.21Å; W597-I663 HydrophobicContact CE3-CD1 3.69Å; W597-I663 HydrophobicContact CE3-CG1 3.81Å; W597-I663 HydrophobicContact CG-CG1 4.41Å; W597-I663 HydrophobicContact CH2-CD1 3.98Å; W597-I663 HydrophobicContact CZ2-CD1 4.46Å; W597-I663 HydrophobicContact CZ2-CG2 4.22Å; W597-I663 HydrophobicContact CZ3-CD1 3.56Å; W597-I663 HydrophobicContact CZ3-CG1 4.21Å; Y622-I663 HydrophobicContact CD1-CG2 3.7Å; Y622-I663 HydrophobicContact CG-CG2 4.2Å; W623-I663 CarbonylContact O-C 3.59Å; W623-I663 WeakPolarHBondContact O-CA 3.34Å; V624-I663 HydrophobicContact CB-CD1 4.2Å; V624-I663 HydrophobicContact CG1-CD1 3.91Å; V624-I663 HydrophobicContact CG2-CD1 3.82Å; I663-S676 PolarHBondContact N-OG 3.18Å; I663-S676 PolarHBondContact O-N 3.13Å |
| 664 | R | 89.6 | Confident | 83 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.5 | 166.3 | -56.6 | -175.8 | -171.5 | -87.9 | -9.2 | 110.4 | I438 Y622 W623 E625 L662 V672 A675 | I438-R664 PolarHBondContact O-NH1 2.89Å; I438-R664 PolarHBondContact O-NH2 2.78Å; Y622-R664 CarbonylContact C-O 3.55Å; Y622-R664 VanDerWaalsContact CA-O 3.29Å; Y622-R664 WeakPolarHBondContact CA-O 3.5Å; W623-R664 HydrophobicContact CB-CB 4.36Å; W623-R664 PolarHBondContact N-O 3.22Å; W623-R664 PolarHBondContact O-N 2.88Å; E625-R664 WeakPolarHBondContact OE1-CD 3.46Å; E625-R664 IonicContact OE1-CZ 3.59Å; E625-R664 IonicContact OE1-NE 2.69Å; E625-R664 PolarHBondContact OE1-NE 3.25Å; E625-R664 IonicContact OE1-NH2 3.44Å; E625-R664 IonicContact OE2-CZ 2.84Å; E625-R664 IonicContact OE2-NE 2.7Å; E625-R664 PolarHBondContact OE2-NE 3.07Å; E625-R664 IonicContact OE2-NH2 2.72Å; E625-R664 PolarHBondContact OE2-NH2 2.94Å; L662-R664 HydrophobicContact CD1-CG 3.81Å; R664-V672 HydrophobicContact CB-CG1 4.04Å; R664-A675 HydrophobicContact CG-CB 4.3Å |
| 665 | P | 88.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 150.7 | 170.7 | 28.3 | -19.8 | 0 | 0 | 0 | 110.2 | L577 P578 P580 I620 T621 Y622 G673 W674 | L577-P665 HydrophobicContact CB-CB 3.87Å; L577-P665 HydrophobicContact CB-CG 3.73Å; L577-P665 HydrophobicContact CD1-CB 3.89Å; P578-P665 WeakPolarHBondContact O-CG 3.47Å; P580-P665 HydrophobicContact CG-CB 4.32Å; P580-P665 HydrophobicContact CG-CG 4.01Å; I620-P665 HydrophobicContact CG2-CB 4.24Å; T621-P665 CarbonylContact O-C 3.53Å; Y622-P665 HydrophobicContact CD1-CB 4.11Å; Y622-P665 HydrophobicContact CE1-CB 3.9Å; P665-G673 PolarHBondContact O-N 2.81Å; P665-W674 WeakPolarHBondContact CD-O 3.31Å |
| 666 | R | 81.6 | Confident | 83.2 | Confident | 50 Ų | 50 | 31.4 Ų | 31.4 | 19% | 0.189 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 135.5 | -177.6 | -174.3 | -175.1 | 172.5 | -121.9 | -18.6 | 111.1 | I620 T621 N642 G670 R671 V672 | I620-R666 WeakPolarHBondContact CA-O 3.47Å; T621-R666 PolarHBondContact N-O 2.7Å; T621-R666 PolarHBondContact O-N 2.97Å; T621-R666 PolarHBondContact OG1-O 3.06Å; N642-R666 PolarHBondContact OD1-NH1 3.43Å; R666-G670 PolarHBondContact NE-O 3.04Å; R666-G670 VanDerWaalsContact NE-O 3.07Å; R666-G670 PolarHBondContact NH2-O 2.76Å; R666-R671 WeakPolarHBondContact CA-O 3.48Å; R666-V672 HydrophobicContact CB-CG2 4.35Å; R666-V672 HydrophobicContact CG-CG2 3.87Å |
| 667 | W | 78.3 | Confident | 83.1 | Confident | 42 Ų | 42 | 29.7 Ų | 29.7 | 16% | 0.159 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 137.1 | 168.2 | -62.9 | 111.1 | 0 | 0 | 0 | 110.6 | E574 S575 L577 R618 I620 E669 G670 R671 | E574-W667 WeakPolarHBondContact OE2-CB 3.43Å; S575-W667 PolarHBondContact O-NE1 2.93Å; L577-W667 HydrophobicContact CD1-CD2 4.06Å; L577-W667 HydrophobicContact CD1-CG 4.16Å; L577-W667 HydrophobicContact CD2-CD2 4.11Å; L577-W667 HydrophobicContact CD2-CE3 4.43Å; L577-W667 HydrophobicContact CD2-CH2 3.76Å; L577-W667 HydrophobicContact CD2-CZ2 3.36Å; L577-W667 HydrophobicContact CD2-CZ3 4.27Å; L577-W667 HydrophobicContact CG-CD2 4.15Å; L577-W667 HydrophobicContact CG-CG 4.42Å; L577-W667 HydrophobicContact CG-CZ2 4.08Å; R618-W667 HydrophobicContact CB-CE3 4.26Å; R618-W667 HydrophobicContact CB-CZ3 4.08Å; I620-W667 HydrophobicContact CG1-CE3 4.2Å; I620-W667 HydrophobicContact CG1-CZ3 4.21Å; W667-E669 PolarHBondContact O-N 2.77Å; W667-G670 PolarHBondContact O-N 2.96Å; W667-R671 PolarHBondContact N-O 3.35Å; W667-R671 VanDerWaalsContact N-O 3.13Å |
| 668 | N | 67 | Low | 83.1 | Confident | 60 Ų | 60 | 30.3 Ų | 30.3 | 32% | 0.321 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -40.1 | -176.2 | -92.3 | 30.4 | 0 | 0 | 0 | 114.5 | Q619 T621 | Q619-N668 WeakPolarHBondContact CB-OD1 3.42Å; Q619-N668 PolarHBondContact O-N 3.05Å; Q619-N668 PolarHBondContact O-OD1 3.03Å; Q619-N668 PolarHBondContact OE1-ND2 2.91Å; Q619-N668 VanDerWaalsContact OE1-ND2 3.1Å; T621-N668 WeakPolarHBondContact CG2-OD1 3.49Å |
| 669 | E | 62.4 | Low | 83.1 | Confident | 148 Ų | 148 | 30.7 Ų | 30.7 | 69% | 0.692 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -10.9 | -174.9 | -63.5 | -176 | 173.9 | 0 | 0 | 114 | W667 | W667-E669 PolarHBondContact O-N 2.77Š|
| 670 | G | 70.1 | Confident | 82.5 | Confident | 7 Ų | 7 | 31.8 Ų | 31.8 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -161.6 | -118.2 | -158.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R666 W667 | R666-G670 PolarHBondContact NE-O 3.04Å; R666-G670 VanDerWaalsContact NE-O 3.07Å; R666-G670 PolarHBondContact NH2-O 2.76Å; W667-G670 PolarHBondContact O-N 2.96Å |
| 671 | R | 77.6 | Confident | 82.2 | Confident | 35 Ų | 35 | 34.2 Ų | 34.2 | 13% | 0.132 | 19% | 0.191 | C | C | . | . | trans | -70.9 | 136.5 | -153.9 | -168.5 | 173.8 | -172.6 | 169.8 | 2.7 | 112.9 | P443 D456 E574 R666 W667 | P443-R671 HydrophobicContact CB-CG 4.35Å; D456-R671 IonicContact OD2-CZ 3.56Å; D456-R671 IonicContact OD2-NH2 3.61Å; D456-R671 PolarHBondContact OD2-NH2 3.09Å; E574-R671 HydrophobicContact CB-CB 4.23Å; E574-R671 WeakPolarHBondContact O-CD 3.5Å; E574-R671 PolarHBondContact O-NH1 3.26Å; E574-R671 PolarHBondContact OE2-N 2.78Å; E574-R671 VanDerWaalsContact OE2-N 3.1Å; R666-R671 WeakPolarHBondContact CA-O 3.48Å; W667-R671 PolarHBondContact N-O 3.35Å; W667-R671 VanDerWaalsContact N-O 3.13Å | ||
| 672 | V | 84.1 | Confident | 81.8 | Confident | 17 Ų | 17 | 35 Ų | 35 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | B | Isolated β-bridge | trans | -81.7 | 133.8 | 168.8 | 178 | 0 | 0 | 0 | 0 | 108.7 | P441 W554 R664 R666 | P441-V672 HydrophobicContact CG-CB 4.25Å; P441-V672 HydrophobicContact CG-CG1 3.96Å; W554-V672 HydrophobicContact CH2-CG1 4.21Å; W554-V672 HydrophobicContact CZ2-CB 4.47Å; W554-V672 HydrophobicContact CZ2-CG1 4.34Å; W554-V672 HydrophobicContact CZ2-CG2 4.22Å; R664-V672 HydrophobicContact CB-CG1 4.04Å; R666-V672 HydrophobicContact CB-CG2 4.35Å; R666-V672 HydrophobicContact CG-CG2 3.87Å |
| 673 | G | 82.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -86.2 | -164 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L577 P665 | L577-G673 VanDerWaalsContact O-CA 3.25Å; L577-G673 WeakPolarHBondContact O-CA 3.27Å; P665-G673 PolarHBondContact O-N 2.81Å | ||
| 674 | W | 85.5 | Confident | 81.4 | Confident | 76 Ų | 76 | 39.7 Ų | 39.7 | 29% | 0.288 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 138.8 | 177.5 | -69.2 | 86.8 | 0 | 0 | 0 | 111.8 | G439 L440 E458 L577 P579 P665 | G439-W674 WeakPolarHBondContact O-CA 3.48Å; L440-W674 HydrophobicContact CB-CD2 3.97Å; L440-W674 HydrophobicContact CB-CE3 3.91Å; L440-W674 HydrophobicContact CB-CH2 3.91Å; L440-W674 HydrophobicContact CB-CZ2 3.97Å; L440-W674 HydrophobicContact CB-CZ3 3.88Å; L440-W674 HydrophobicContact CD2-CH2 4.39Å; L440-W674 HydrophobicContact CD2-CZ2 3.82Å; L440-W674 HydrophobicContact CG-CZ2 4.42Å; E458-W674 HydrophobicContact CB-CH2 4.18Å; E458-W674 HydrophobicContact CB-CZ3 4.35Å; E458-W674 WeakPolarHBondContact OE2-CH2 3.33Å; L577-W674 PolarHBondContact O-N 3.19Å; P579-W674 HydrophobicContact CB-CB 4.05Å; P579-W674 HydrophobicContact CG-CB 4.34Å; P665-W674 WeakPolarHBondContact CD-O 3.31Å |
| 675 | A | 86 | Confident | 81 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 141.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I437 G439 P579 L662 R664 | I437-A675 HydrophobicContact CG2-CB 4.18Å; G439-A675 PolarHBondContact O-N 3.22Å; P579-A675 WeakPolarHBondContact CB-O 3.14Å; L662-A675 HydrophobicContact CD1-CB 3.98Å; L662-A675 HydrophobicContact CD2-CB 4.47Å; R664-A675 HydrophobicContact CG-CB 4.3Å |
| 676 | S | 87 | Confident | 80.4 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 165.1 | 164.7 | 71.6 | 0 | 0 | 0 | 0 | 111.4 | L583 I663 | L583-S676 WeakPolarHBondContact CD2-OG 3.38Å; I663-S676 PolarHBondContact N-OG 3.18Å; I663-S676 PolarHBondContact O-N 3.13Å |
| 677 | A | 80.8 | Confident | 79.5 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 63% | 0.628 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 146.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L679 | A677-L679 PolarHBondContact O-N 3.22Š|
| 678 | P | 85.6 | Confident | 78.2 | Confident | 34 Ų | 34 | 58 Ų | 58 | 22% | 0.221 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 120.1 | 178.5 | 29.9 | -34.1 | 0 | 0 | 0 | 110.9 | I437 W636 F661 | I437-P678 HydrophobicContact CD1-CB 4.07Å; I437-P678 HydrophobicContact CD1-CG 3.84Å; W636-P678 HydrophobicContact CH2-CB 3.75Å; W636-P678 HydrophobicContact CZ2-CB 4.22Å; F661-P678 CarbonylContact O-C 3.46Å; F661-P678 WeakPolarHBondContact O-CA 3.39Å |
| 679 | L | 85.5 | Confident | 77.3 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 22% | 0.22 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 117.6 | 172.3 | 170.5 | 67.1 | 0 | 0 | 0 | 110.2 | L583 A585 L595 Y660 F661 A677 V682 | L583-L679 HydrophobicContact CD1-CD2 4.31Å; L583-L679 HydrophobicContact CD2-CB 3.76Å; L583-L679 HydrophobicContact CG-CB 3.84Å; L583-L679 HydrophobicContact CG-CD2 3.94Å; A585-L679 HydrophobicContact CB-CD2 4.14Å; L595-L679 HydrophobicContact CD2-CD2 3.91Å; Y660-L679 CarbonylContact C-O 3.6Å; Y660-L679 VanDerWaalsContact CA-O 3.32Å; Y660-L679 WeakPolarHBondContact CA-O 3.41Å; F661-L679 PolarHBondContact N-O 2.65Å; F661-L679 PolarHBondContact O-N 3.34Å; A677-L679 PolarHBondContact O-N 3.22Å; L679-V682 HydrophobicContact CG-CG2 4.28Å |
| 680 | G | 77.1 | Confident | 75.8 | Confident | 31 Ų | 31 | 62 Ų | 62 | 32% | 0.32 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y660 | Y660-G680 VanDerWaalsContact CD1-CA 3.47Å; Y660-G680 WeakPolarHBondContact CE1-O 3.38Å |
| 681 | P | 84.8 | Confident | 73.9 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 49% | 0.494 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -77.4 | 129 | 8.3 | 29.5 | -33.7 | 0 | 0 | 0 | 113.7 | I658 Y660 | I658-P681 HydrophobicContact CG2-CB 3.45Å; I658-P681 VanDerWaalsContact CG2-CB 3.45Å; Y660-P681 HydrophobicContact CE2-CB 3.98Å |
| 682 | V | 83.7 | Confident | 72 | Confident | 15 Ų | 15 | 73.3 Ų | 73.3 | 9% | 0.091 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 116.8 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | A585 V588 V593 Y659 F661 L679 | A585-V682 HydrophobicContact CB-CG2 4.41Å; V588-V682 HydrophobicContact CG1-CG1 4.48Å; V588-V682 HydrophobicContact CG2-CG1 3.97Å; V593-V682 HydrophobicContact CG1-CG1 4.39Å; V593-V682 HydrophobicContact CG2-CG1 4.09Å; Y659-V682 PolarHBondContact N-O 3.25Å; Y659-V682 PolarHBondContact O-N 2.94Å; F661-V682 HydrophobicContact CD2-CB 4.42Å; F661-V682 HydrophobicContact CD2-CG2 3.98Å; F661-V682 HydrophobicContact CE2-CB 3.88Å; F661-V682 HydrophobicContact CE2-CG1 4.2Å; F661-V682 HydrophobicContact CE2-CG2 3.92Å; L679-V682 HydrophobicContact CG-CG2 4.28Å |
| 683 | L | 87.7 | Confident | 69.5 | Low | 98 Ų | 98 | 81.6 Ų | 81.6 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.5 | 179.8 | 176.7 | 62.3 | 0 | 0 | 0 | 110.8 | V588 I658 | V588-L683 WeakPolarHBondContact CG1-O 3.39Å; I658-L683 HydrophobicContact CG1-CD1 4.01Å |
| 684 | T | 84.6 | Confident | 67.4 | Low | 2 Ų | 2 | 88.5 Ų | 88.5 | 1% | 0.012 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 148.7 | 170.9 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | V593 L653 Q654 P655 E656 T657 Y659 | V593-T684 HydrophobicContact CG2-CG2 4.41Å; L653-T684 HydrophobicContact CB-CG2 3.97Å; L653-T684 HydrophobicContact CD1-CG2 4.22Å; Q654-T684 WeakPolarHBondContact O-CB 3.29Å; Q654-T684 PolarHBondContact O-OG1 3.03Å; P655-T684 VanDerWaalsContact C-OG1 3.31Å; E656-T684 VanDerWaalsContact CA-O 3.31Å; E656-T684 WeakPolarHBondContact CA-O 3.4Å; E656-T684 PolarHBondContact N-O 3.42Å; E656-T684 PolarHBondContact N-OG1 3.34Å; E656-T684 VanDerWaalsContact N-OG1 3.12Å; T657-T684 PolarHBondContact N-OG1 3.2Å; T657-T684 PolarHBondContact O-N 3.03Å; T657-T684 PolarHBondContact O-OG1 3.01Å; Y659-T684 HydrophobicContact CD2-CG2 4.12Å; Y659-T684 HydrophobicContact CE2-CG2 3.98Å |
| 685 | L | 80.6 | Confident | 65.3 | Low | 100 Ų | 100 | 90.6 Ų | 90.6 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 164.4 | -178.6 | -55.9 | -175.2 | 0 | 0 | 0 | 112.2 | V588 T589 S590 P655 E656 | V588-L685 WeakPolarHBondContact O-CD1 3.43Å; T589-L685 PolarHBondContact O-N 3.03Å; S590-L685 WeakPolarHBondContact CA-O 3.48Å; S590-L685 VanDerWaalsContact CB-O 3.22Å; S590-L685 WeakPolarHBondContact CB-O 3.36Å; P655-L685 WeakPolarHBondContact CA-O 3.38Å; P655-L685 WeakPolarHBondContact CB-O 3.27Å; E656-L685 PolarHBondContact N-O 2.8Å; E656-L685 VanDerWaalsContact N-O 3.13Å |
| 686 | K | 75.3 | Confident | 63.3 | Low | 128 Ų | 128 | 98.5 Ų | 98.5 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -74.6 | 132.4 | 172.9 | -162.4 | 179.2 | -164 | 76.4 | 0 | 110.5 | E656 | E656-K686 IonicContact OE1-NZ 2.73Å; E656-K686 PolarHBondContact OE1-NZ 2.71Å; E656-K686 IonicContact OE2-NZ 3.42Å; E656-K686 PolarHBondContact OE2-NZ 3.3Å |
| 687 | E | 63.9 | Low | 61.7 | Low | 120 Ų | 120 | 101.5 Ų | 101.5 | 56% | 0.561 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 134 | -179 | -171.2 | 164.3 | -145.9 | 0 | 0 | 111.9 | P655 V689 | P655-E687 HydrophobicContact CB-CB 4.03Å; P655-E687 HydrophobicContact CG-CB 3.76Å; E687-V689 PolarHBondContact O-N 3.41Å |
| 688 | Q | 51.1 | Low | 60.6 | Low | 134 Ų | 134 | 100.3 Ų | 100.3 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | trans | -91.9 | 88.8 | -177.5 | -62.1 | -155.8 | 16.7 | 0 | 0 | 111.2 | L690 | Q688-L690 PolarHBondContact O-N 3.41Š| ||
| 689 | V | 47.3 | Very low | 59.4 | Low | 118 Ų | 118 | 104.5 Ų | 104.5 | 72% | 0.715 | 55% | 0.549 | S | S | * | . | trans | -59.5 | 116.6 | 170.3 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | E687 S691 | E687-V689 PolarHBondContact O-N 3.41Å; V689-S691 PolarHBondContact O-N 2.94Å | ||
| 690 | L | 30.9 | Very low | 58.7 | Low | 175 Ų | 175 | 112.6 Ų | 112.6 | 92% | 0.916 | 58% | 0.577 | S | S | * | * | trans | -93.1 | 71 | -173.8 | -166.7 | 83.5 | 0 | 0 | 0 | 111.7 | Q688 | Q688-L690 PolarHBondContact O-N 3.41Š| ||
| 691 | S | 30.6 | Very low | 58.4 | Low | 80 Ų | 80 | 116.1 Ų | 116.1 | 56% | 0.559 | 59% | 0.585 | S | S | * | * | trans | -154.9 | 99.6 | 174.9 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | V689 | V689-S691 PolarHBondContact O-N 2.94Š| ||
| 692 | H | 36.5 | Very low | 57.5 | Low | 198 Ų | 198 | 113.2 Ų | 113.2 | 92% | 0.917 | 57% | 0.566 | S | S | * | * | trans | -159.4 | 150.3 | 144.4 | -93.8 | -66 | 0 | 0 | 0 | 108.4 | E694 | H692-E694 PolarHBondContact O-N 3.32Š| ||
| 693 | Q | 32.1 | Very low | 57 | Low | 192 Ų | 192 | 114.6 Ų | 114.6 | 90% | 0.897 | 57% | 0.573 | S | S | * | * | trans | -79.4 | 105.3 | -173.5 | -67.4 | 166 | -84.9 | 0 | 0 | 110.8 | V695 | Q693-V695 PolarHBondContact O-N 3.17Š| ||
| 694 | E | 37.9 | Very low | 56.6 | Low | 144 Ų | 144 | 117 Ų | 117 | 67% | 0.673 | 58% | 0.579 | S | S | * | * | trans | -61.6 | 131.9 | 161.2 | -75.4 | -179.6 | 153.8 | 0 | 0 | 108.6 | H692 Q696 K833 | H692-E694 PolarHBondContact O-N 3.32Å; E694-Q696 PolarHBondContact O-N 2.87Å; E694-K833 IonicContact OE1-NZ 3.53Å; E694-K833 PolarHBondContact OE1-NZ 2.84Å; E694-K833 VanDerWaalsContact OE1-NZ 3.17Å | ||
| 695 | V | 41.6 | Very low | 56.4 | Low | 121 Ų | 121 | 118.9 Ų | 118.9 | 73% | 0.733 | 59% | 0.592 | S | S | * | * | trans | -68.4 | 99.1 | 168.9 | 176.5 | 0 | 0 | 0 | 0 | 107.3 | Q693 L697 | Q693-V695 PolarHBondContact O-N 3.17Å; V695-L697 PolarHBondContact O-N 3.43Å | ||
| 696 | Q | 43.9 | Very low | 56.7 | Low | 178 Ų | 178 | 114.2 Ų | 114.2 | 83% | 0.832 | 57% | 0.568 | S | S | * | * | trans | -68.1 | 93.1 | 176.8 | -68.9 | -171.5 | -12.5 | 0 | 0 | 110 | E694 S698 | E694-Q696 PolarHBondContact O-N 2.87Å; Q696-S698 PolarHBondContact O-N 2.97Å | ||
| 697 | L | 54 | Low | 57.1 | Low | 69 Ų | 69 | 113.5 Ų | 113.5 | 36% | 0.361 | 57% | 0.565 | S | S | . | * | trans | -52.9 | 132.8 | 145.3 | -89.6 | 74.3 | 0 | 0 | 0 | 106.6 | V695 E701 S702 | V695-L697 PolarHBondContact O-N 3.43Å; L697-E701 HydrophobicContact CD2-CB 4.49Å; L697-S702 VanDerWaalsContact CB-OG 3.29Å; L697-S702 WeakPolarHBondContact CB-OG 3.34Å | ||
| 698 | S | 57.2 | Low | 58.2 | Low | 52 Ų | 52 | 111 Ų | 111 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | trans | -60.4 | 147.5 | 175.2 | 67.3 | 0 | 0 | 0 | 0 | 109.7 | Q696 R700 E701 S702 | Q696-S698 PolarHBondContact O-N 2.97Å; S698-R700 PolarHBondContact O-N 3.05Å; S698-E701 VanDerWaalsContact CB-OE2 3.29Å; S698-E701 WeakPolarHBondContact CB-OE2 3.37Å; S698-E701 PolarHBondContact N-OE2 2.78Å; S698-E701 PolarHBondContact O-N 3.43Å; S698-E701 VanDerWaalsContact OG-CD 3.28Å; S698-E701 WeakPolarHBondContact OG-CG 3.49Å; S698-E701 PolarHBondContact OG-N 3.11Å; S698-E701 PolarHBondContact OG-OE2 3.43Å; S698-S702 PolarHBondContact O-N 2.86Å; S698-S702 PolarHBondContact O-OG 2.71Å | ||
| 699 | D | 60.7 | Low | 59.8 | Low | 122 Ų | 122 | 104.6 Ų | 104.6 | 65% | 0.652 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -47.4 | -34.4 | 176.9 | -79.9 | -41.5 | 0 | 0 | 0 | 112.1 | L703 | D699-L703 WeakPolarHBondContact O-CB 3.44Å; D699-L703 PolarHBondContact O-N 3.44Å |
| 700 | R | 70.7 | Confident | 61.6 | Low | 212 Ų | 212 | 103.4 Ų | 103.4 | 80% | 0.8 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70 | -36.4 | 179.2 | -169.8 | 176.3 | -174 | 168.8 | 2.2 | 113.9 | S698 K704 | S698-R700 PolarHBondContact O-N 3.05Å; R700-K704 WeakPolarHBondContact O-CB 3.24Å; R700-K704 PolarHBondContact O-N 2.95Å; R700-K704 VanDerWaalsContact O-N 3.16Å |
| 701 | E | 71.3 | Confident | 64.4 | Low | 105 Ų | 105 | 95.3 Ų | 95.3 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -75.2 | -42.3 | 175.3 | -72.7 | 160.4 | 133.6 | 0 | 0 | 110.9 | L697 S698 L703 K704 S705 | L697-E701 HydrophobicContact CD2-CB 4.49Å; S698-E701 VanDerWaalsContact CB-OE2 3.29Å; S698-E701 WeakPolarHBondContact CB-OE2 3.37Å; S698-E701 PolarHBondContact N-OE2 2.78Å; S698-E701 PolarHBondContact O-N 3.43Å; S698-E701 VanDerWaalsContact OG-CD 3.28Å; S698-E701 WeakPolarHBondContact OG-CG 3.49Å; S698-E701 PolarHBondContact OG-N 3.11Å; S698-E701 PolarHBondContact OG-OE2 3.43Å; E701-L703 VanDerWaalsContact C-N 3.34Å; E701-L703 PolarHBondContact O-N 2.9Å; E701-K704 PolarHBondContact O-N 3.04Å; E701-K704 VanDerWaalsContact O-N 3.11Å; E701-S705 PolarHBondContact O-N 2.93Å; E701-S705 PolarHBondContact O-OG 2.98Å |
| 702 | S | 65.3 | Low | 67.1 | Low | 14 Ų | 14 | 95.9 Ų | 95.9 | 10% | 0.098 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 173.2 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | L697 S698 K704 S705 F706 M739 | L697-S702 VanDerWaalsContact CB-OG 3.29Å; L697-S702 WeakPolarHBondContact CB-OG 3.34Å; S698-S702 PolarHBondContact O-N 2.86Å; S698-S702 PolarHBondContact O-OG 2.71Å; S702-K704 VanDerWaalsContact C-N 3.33Å; S702-K704 PolarHBondContact O-N 2.86Å; S702-S705 PolarHBondContact O-N 2.89Å; S702-F706 WeakPolarHBondContact O-CB 3.2Å; S702-F706 PolarHBondContact O-N 2.88Å; S702-M739 VanDerWaalsContact CB-SD 3.55Å |
| 703 | L | 73.5 | Confident | 69.5 | Low | 44 Ų | 44 | 86.6 Ų | 86.6 | 23% | 0.23 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 172.7 | -136.3 | 85.7 | 0 | 0 | 0 | 113.4 | D699 E701 K707 M874 I877 | D699-L703 WeakPolarHBondContact O-CB 3.44Å; D699-L703 PolarHBondContact O-N 3.44Å; E701-L703 VanDerWaalsContact C-N 3.34Å; E701-L703 PolarHBondContact O-N 2.9Å; L703-K707 WeakPolarHBondContact O-CG 3.3Å; L703-K707 PolarHBondContact O-N 2.95Å; L703-K707 VanDerWaalsContact O-N 3.14Å; L703-M874 HydrophobicContact CD2-CE 4.28Å; L703-M874 HydrophobicContact CD2-SD 4.31Å; L703-I877 HydrophobicContact CD1-CD1 3.55Å; L703-I877 HydrophobicContact CD2-CD1 4.04Å; L703-I877 HydrophobicContact CG-CD1 3.85Å |
| 704 | K | 80.5 | Confident | 71.8 | Confident | 149 Ų | 149 | 80 Ų | 80 | 65% | 0.648 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -73.7 | -35.5 | -178 | -173.9 | -172.9 | 175.2 | -165.8 | 0 | 111.2 | R700 E701 S702 N708 | R700-K704 WeakPolarHBondContact O-CB 3.24Å; R700-K704 PolarHBondContact O-N 2.95Å; R700-K704 VanDerWaalsContact O-N 3.16Å; E701-K704 PolarHBondContact O-N 3.04Å; E701-K704 VanDerWaalsContact O-N 3.11Å; S702-K704 VanDerWaalsContact C-N 3.33Å; S702-K704 PolarHBondContact O-N 2.86Å; K704-N708 PolarHBondContact O-ND2 3.43Å |
| 705 | S | 80.3 | Confident | 73.9 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.5 | -49.6 | 172.8 | -52.7 | 0 | 0 | 0 | 0 | 109.9 | E701 S702 K707 N708 V709 | E701-S705 PolarHBondContact O-N 2.93Å; E701-S705 PolarHBondContact O-OG 2.98Å; S702-S705 PolarHBondContact O-N 2.89Å; S705-K707 VanDerWaalsContact C-N 3.29Å; S705-K707 PolarHBondContact O-N 3.49Å; S705-N708 WeakPolarHBondContact O-CA 3.47Å; S705-N708 PolarHBondContact O-N 2.96Å; S705-V709 PolarHBondContact O-N 2.85Å |
| 706 | F | 85.3 | Confident | 76.1 | Confident | 3 Ų | 3 | 73.5 Ų | 73.5 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -51.9 | -43.3 | 176.5 | -175.4 | -88.5 | 0 | 0 | 0 | 113.3 | S702 N708 V709 M739 V740 A867 I877 | S702-F706 WeakPolarHBondContact O-CB 3.2Å; S702-F706 PolarHBondContact O-N 2.88Å; F706-N708 PolarHBondContact O-N 3.5Å; F706-V709 WeakPolarHBondContact O-CB 3.28Å; F706-V709 VanDerWaalsContact O-CG2 3.23Å; F706-V709 WeakPolarHBondContact O-CG2 3.27Å; F706-V709 PolarHBondContact O-N 3.31Å; F706-M739 HydrophobicContact CB-SD 4.36Å; F706-M739 HydrophobicContact CD2-CB 3.96Å; F706-V740 HydrophobicContact CE2-CG2 4.03Å; F706-A867 HydrophobicContact CE2-CB 4.47Å; F706-A867 HydrophobicContact CZ-CB 4.19Å; F706-I877 HydrophobicContact CD1-CG2 3.97Å; F706-I877 HydrophobicContact CE1-CB 4.44Å; F706-I877 HydrophobicContact CE1-CG2 4.18Å; F706-I877 VanDerWaalsContact CE1-O 3.3Å; F706-I877 WeakPolarHBondContact CE1-O 3.34Å |
| 707 | K | 85.3 | Confident | 77.9 | Confident | 113 Ų | 113 | 70.1 Ų | 70.1 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -13.5 | 176.7 | -76.7 | -174.5 | 174.6 | -172.5 | 0 | 115.1 | L703 S705 I877 | L703-K707 WeakPolarHBondContact O-CG 3.3Å; L703-K707 PolarHBondContact O-N 2.95Å; L703-K707 VanDerWaalsContact O-N 3.14Å; S705-K707 VanDerWaalsContact C-N 3.29Å; S705-K707 PolarHBondContact O-N 3.49Å; K707-I877 HydrophobicContact CD-CG2 4.39Å; K707-I877 HydrophobicContact CG-CG2 3.93Å |
| 708 | N | 85.4 | Confident | 79.3 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 35% | 0.353 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -3.3 | 178.2 | -74.4 | -66.4 | 0 | 0 | 0 | 114 | K704 S705 F706 N710 R880 | K704-N708 PolarHBondContact O-ND2 3.43Å; S705-N708 WeakPolarHBondContact O-CA 3.47Å; S705-N708 PolarHBondContact O-N 2.96Å; F706-N708 PolarHBondContact O-N 3.5Å; N708-N710 PolarHBondContact O-N 2.85Å; N708-N710 PolarHBondContact O-ND2 2.73Å; N708-N710 VanDerWaalsContact O-ND2 3.13Å; N708-R880 PolarHBondContact OD1-NE 3.28Å; N708-R880 PolarHBondContact OD1-NH2 3.36Å |
| 709 | V | 85.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 122.7 | 172.5 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | S705 F706 L711 I730 E732 V736 | S705-V709 PolarHBondContact O-N 2.85Å; F706-V709 WeakPolarHBondContact O-CB 3.28Å; F706-V709 VanDerWaalsContact O-CG2 3.23Å; F706-V709 WeakPolarHBondContact O-CG2 3.27Å; F706-V709 PolarHBondContact O-N 3.31Å; V709-L711 HydrophobicContact CG1-CD1 4.04Å; V709-I730 HydrophobicContact CG1-CD1 3.46Å; V709-I730 VanDerWaalsContact CG1-CD1 3.46Å; V709-I730 HydrophobicContact CG1-CG1 3.76Å; V709-E732 WeakPolarHBondContact CA-OE1 3.15Å; V709-E732 HydrophobicContact CB-CG 4.46Å; V709-E732 HydrophobicContact CG1-CG 4.12Å; V709-E732 HydrophobicContact CG2-CG 3.9Å; V709-V736 HydrophobicContact CG2-CG1 3.62Å |
| 710 | N | 85.6 | Confident | 81.4 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 125.5 | 175.9 | -55.4 | -76.4 | 0 | 0 | 0 | 108.7 | N708 R880 | N708-N710 PolarHBondContact O-N 2.85Å; N708-N710 PolarHBondContact O-ND2 2.73Å; N708-N710 VanDerWaalsContact O-ND2 3.13Å; N710-R880 WeakPolarHBondContact OD1-CD 3.39Å; N710-R880 PolarHBondContact OD1-NH1 3.44Å |
| 711 | L | 89.4 | Confident | 82.1 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.8 | 173.4 | -65.4 | 89.4 | 0 | 0 | 0 | 109.2 | V709 S729 Y743 V865 A867 S879 S882 | V709-L711 HydrophobicContact CG1-CD1 4.04Å; L711-S729 WeakPolarHBondContact CA-O 3.46Å; L711-Y743 HydrophobicContact CD2-CD1 3.54Å; L711-Y743 HydrophobicContact CD2-CE1 3.69Å; L711-V865 HydrophobicContact CD2-CG1 4.17Å; L711-A867 HydrophobicContact CD1-CB 4.04Å; L711-A867 HydrophobicContact CD2-CB 4.18Å; L711-S879 WeakPolarHBondContact CD1-OG 3.45Å; L711-S882 VanDerWaalsContact O-CA 3.27Å; L711-S882 WeakPolarHBondContact O-CA 3.39Å; L711-S882 WeakPolarHBondContact O-CB 2.97Å |
| 712 | I | 88.6 | Confident | 82.9 | Confident | 91 Ų | 91 | 56 Ų | 56 | 47% | 0.467 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 112 | 175.9 | -57.3 | 173.8 | 0 | 0 | 0 | 107.4 | L714 W728 S729 | I712-L714 HydrophobicContact CG2-CD2 4.15Å; I712-L714 PolarHBondContact O-N 3.28Å; I712-W728 CarbonylContact O-C 3.47Å; I712-W728 WeakPolarHBondContact O-CA 3.32Å; I712-W728 WeakPolarHBondContact O-CB 2.96Å; I712-S729 PolarHBondContact N-O 2.95Å; I712-S729 PolarHBondContact O-N 3.4Å |
| 713 | L | 85.2 | Confident | 84 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 110.1 | 171.3 | -171.9 | 59.9 | 0 | 0 | 0 | 107.8 | L716 V726 S727 W728 I863 V865 N883 L885 | L713-L716 HydrophobicContact CD2-CD2 4.46Å; L713-V726 HydrophobicContact CD1-CG1 3.62Å; L713-S727 WeakPolarHBondContact CD1-O 3.32Å; L713-W728 HydrophobicContact CD1-CB 4.23Å; L713-I863 WeakPolarHBondContact CD2-O 3.45Å; L713-V865 HydrophobicContact CD1-CG2 3.74Å; L713-N883 WeakPolarHBondContact CB-O 3.48Å; L713-N883 WeakPolarHBondContact CD2-O 3.26Å; L713-N883 PolarHBondContact N-OD1 3.25Å; L713-N883 PolarHBondContact O-ND2 3.06Å; L713-L885 HydrophobicContact CB-CD1 4.44Å; L713-L885 HydrophobicContact CD2-CB 3.88Å; L713-L885 HydrophobicContact CD2-CD1 4.18Å; L713-L885 HydrophobicContact CD2-CG 3.9Å; L713-L885 HydrophobicContact CG-CD1 3.92Å; L713-L885 HydrophobicContact CG-CG 4.14Å |
| 714 | L | 80.9 | Confident | 84.6 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 28% | 0.277 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -68 | -171.5 | -60.2 | 170.3 | 0 | 0 | 0 | 110.1 | I712 S727 Q847 | I712-L714 HydrophobicContact CG2-CD2 4.15Å; I712-L714 PolarHBondContact O-N 3.28Å; L714-S727 WeakPolarHBondContact CB-O 3.25Å; L714-S727 PolarHBondContact N-O 3.41Å; L714-Q847 HydrophobicContact CD1-CG 4.23Å |
| 715 | H | 83.2 | Confident | 85.1 | Confident | 106 Ų | 106 | 57.6 Ų | 57.6 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 150.6 | -175.9 | -68 | -91.7 | 0 | 0 | 0 | 112.7 | Y717 S727 | H715-Y717 HydrophobicContact CB-CD2 4.03Å; H715-Y717 HydrophobicContact CB-CE1 4.34Å; H715-Y717 HydrophobicContact CB-CE2 3.37Å; H715-Y717 AromaticContact CG-CZ 3.87Å; H715-S727 PolarHBondContact N-O 3.14Å; H715-S727 PolarHBondContact N-OG 3.3Å; H715-S727 PolarHBondContact O-N 2.75Å; H715-S727 PolarHBondContact O-OG 3.43Å |
| 716 | L | 87.5 | Confident | 85.6 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 109.6 | 169.3 | -60.8 | 176.7 | 0 | 0 | 0 | 108.6 | L713 P718 V724 V726 I863 L885 V887 | L713-L716 HydrophobicContact CD2-CD2 4.46Å; L716-P718 WeakPolarHBondContact O-CD 3.26Å; L716-V724 HydrophobicContact CB-CG1 4.26Å; L716-V726 HydrophobicContact CD2-CB 4.22Å; L716-V726 HydrophobicContact CD2-CG1 3.87Å; L716-V726 HydrophobicContact CD2-CG2 3.93Å; L716-I863 HydrophobicContact CD1-CB 4.15Å; L716-I863 HydrophobicContact CD1-CD1 3.97Å; L716-I863 HydrophobicContact CD1-CG1 4.43Å; L716-I863 HydrophobicContact CD2-CB 4.16Å; L716-I863 HydrophobicContact CD2-CD1 3.83Å; L716-I863 HydrophobicContact CD2-CG2 4.05Å; L716-L885 HydrophobicContact CD1-CB 3.42Å; L716-L885 VanDerWaalsContact CD1-CB 3.42Å; L716-L885 HydrophobicContact CG-CB 3.92Å; L716-L885 HydrophobicContact CG-CD1 4.37Å; L716-V887 HydrophobicContact CB-CB 3.99Å; L716-V887 HydrophobicContact CB-CG2 4.29Å; L716-V887 HydrophobicContact CD1-CB 3.91Å; L716-V887 HydrophobicContact CD1-CG1 4.06Å |
| 717 | Y | 81.8 | Confident | 85.8 | Confident | 107 Ų | 107 | 56 Ų | 56 | 42% | 0.42 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107 | 178.7 | -60.5 | -81.3 | 0 | 0 | 0 | 109.8 | H715 L719 V724 R725 | H715-Y717 HydrophobicContact CB-CD2 4.03Å; H715-Y717 HydrophobicContact CB-CE1 4.34Å; H715-Y717 HydrophobicContact CB-CE2 3.37Å; H715-Y717 AromaticContact CG-CZ 3.87Å; Y717-L719 PolarHBondContact O-N 2.86Å; Y717-V724 CarbonylContact O-C 3.47Å; Y717-V724 WeakPolarHBondContact O-CA 3.44Å; Y717-R725 PolarHBondContact N-O 3.07Å; Y717-R725 PolarHBondContact O-N 2.86Å |
| 718 | P | 82 | Confident | 86.2 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 133.1 | 167.4 | 28.5 | -32.7 | 0 | 0 | 0 | 109.2 | L716 V724 V887 F890 | L716-P718 WeakPolarHBondContact O-CD 3.26Å; P718-V724 HydrophobicContact CB-CG2 4.39Å; P718-V887 HydrophobicContact CB-CG2 4.04Å; P718-V887 HydrophobicContact CG-CG2 4.09Å; P718-F890 HydrophobicContact CB-CD1 4.06Å; P718-F890 HydrophobicContact CB-CE1 3.56Å; P718-F890 HydrophobicContact CB-CZ 3.97Å; P718-F890 HydrophobicContact CG-CD1 4.35Å; P718-F890 HydrophobicContact CG-CE1 3.55Å; P718-F890 HydrophobicContact CG-CZ 4.1Å; P718-F890 WeakPolarHBondContact O-CZ 3.48Å |
| 719 | L | 80.1 | Confident | 86.4 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 39% | 0.393 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -26.6 | -177.8 | -61.6 | -171.7 | 0 | 0 | 0 | 112.7 | Y717 R723 R725 L851 F890 | Y717-L719 PolarHBondContact O-N 2.86Å; L719-R723 HydrophobicContact CB-CB 4.38Å; L719-R723 PolarHBondContact N-O 3.19Å; L719-R725 HydrophobicContact CD1-CB 3.97Å; L719-R725 HydrophobicContact CG-CB 4.22Å; L719-L851 HydrophobicContact CD1-CD1 3.87Å; L719-F890 VanDerWaalsContact C-CE2 3.5Å |
| 720 | S | 82.6 | Confident | 86.6 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 24% | 0.238 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 174.9 | 173.8 | 86.8 | 0 | 0 | 0 | 0 | 109.9 | K722 R723 | S720-K722 PolarHBondContact O-N 2.73Å; S720-K722 PolarHBondContact OG-N 2.82Å; S720-R723 PolarHBondContact N-O 3.49Å; S720-R723 PolarHBondContact O-N 2.82Å; S720-R723 WeakPolarHBondContact OG-CB 3.28Å; S720-R723 PolarHBondContact OG-N 2.84Å |
| 721 | P | 85.6 | Confident | 86.7 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 21% | 0.214 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -16.4 | 172.5 | -25.3 | 35.1 | 0 | 0 | 0 | 115 | D856 A857 T889 F890 E891 | P721-D856 CarbonylContact O-C 3.5Å; P721-A857 HydrophobicContact CB-CB 3.74Å; P721-A857 VanDerWaalsContact O-CA 3.3Å; P721-A857 WeakPolarHBondContact O-CA 3.48Å; P721-A857 PolarHBondContact O-N 2.82Å; P721-T889 WeakPolarHBondContact O-CB 3.39Å; P721-F890 WeakPolarHBondContact CB-O 3.42Å; P721-F890 HydrophobicContact CG-CB 4.02Å; P721-E891 WeakPolarHBondContact CG-O 3.28Å |
| 722 | K | 88 | Confident | 86.6 | Confident | 90 Ų | 90 | 47.8 Ų | 47.8 | 39% | 0.391 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 7.3 | -180 | -62.6 | -150 | 154 | -104 | 0 | 114.9 | S720 R853 D854 L855 D856 | S720-K722 PolarHBondContact O-N 2.73Å; S720-K722 PolarHBondContact OG-N 2.82Å; K722-R853 CarbonylContact O-C 3.57Å; K722-D854 PolarHBondContact O-N 2.77Å; K722-D854 VanDerWaalsContact O-N 3.09Å; K722-L855 WeakPolarHBondContact CA-O 3.48Å; K722-L855 VanDerWaalsContact CB-O 3.31Å; K722-L855 WeakPolarHBondContact CB-O 3.34Å; K722-L855 VanDerWaalsContact CD-O 3.29Å; K722-L855 WeakPolarHBondContact CD-O 3.31Å; K722-L855 WeakPolarHBondContact CE-O 3.33Å; K722-L855 WeakPolarHBondContact CG-O 3.46Å; K722-L855 PolarHBondContact NZ-O 2.65Å; K722-L855 PolarHBondContact O-N 3.36Å; K722-D856 IonicContact NZ-OD1 3.25Å; K722-D856 PolarHBondContact NZ-OD1 3Å |
| 723 | R | 88.7 | Confident | 86.3 | Confident | 129 Ų | 129 | 46 Ų | 46 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 134.9 | -171.5 | -66.2 | -178.2 | -177.2 | 173.9 | 1.7 | 113.3 | L719 S720 L851 L852 | L719-R723 HydrophobicContact CB-CB 4.38Å; L719-R723 PolarHBondContact N-O 3.19Å; S720-R723 PolarHBondContact N-O 3.49Å; S720-R723 PolarHBondContact O-N 2.82Å; S720-R723 WeakPolarHBondContact OG-CB 3.28Å; S720-R723 PolarHBondContact OG-N 2.84Å; R723-L851 HydrophobicContact CB-CD1 4.12Å; R723-L852 WeakPolarHBondContact CA-O 3.19Å |
| 724 | V | 86.2 | Confident | 86 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 126.9 | 174.2 | 173.2 | 0 | 0 | 0 | 0 | 109.7 | L716 Y717 P718 V726 L852 L855 I863 V887 T889 | L716-V724 HydrophobicContact CB-CG1 4.26Å; Y717-V724 CarbonylContact O-C 3.47Å; Y717-V724 WeakPolarHBondContact O-CA 3.44Å; P718-V724 HydrophobicContact CB-CG2 4.39Å; V724-V726 HydrophobicContact CG1-CG2 4.37Å; V724-L852 HydrophobicContact CB-CB 4.48Å; V724-L852 PolarHBondContact N-O 3.4Å; V724-L852 VanDerWaalsContact N-O 3.09Å; V724-L852 PolarHBondContact O-N 2.78Å; V724-L855 HydrophobicContact CB-CD1 4.03Å; V724-L855 HydrophobicContact CG2-CD1 3.61Å; V724-I863 HydrophobicContact CG1-CD1 4.39Å; V724-V887 HydrophobicContact CG1-CG1 4.18Å; V724-V887 HydrophobicContact CG1-CG2 4.22Å; V724-V887 HydrophobicContact CG2-CG1 3.96Å; V724-V887 HydrophobicContact CG2-CG2 3.94Å; V724-T889 HydrophobicContact CG2-CG2 4.36Å |
| 725 | R | 89.6 | Confident | 85.9 | Confident | 110 Ų | 110 | 47.7 Ų | 47.7 | 42% | 0.415 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.4 | 166.7 | -179 | -170.6 | -64.2 | 137.2 | -2.4 | 109.4 | Y717 L719 S850 | Y717-R725 PolarHBondContact N-O 3.07Å; Y717-R725 PolarHBondContact O-N 2.86Å; L719-R725 HydrophobicContact CD1-CB 3.97Å; L719-R725 HydrophobicContact CG-CB 4.22Å; R725-S850 CarbonylContact C-O 3.43Å; R725-S850 WeakPolarHBondContact CA-O 3.08Å |
| 726 | V | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 136.5 | 176.6 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | L713 L716 V724 W728 V745 T849 S850 L852 I863 V865 | L713-V726 HydrophobicContact CD1-CG1 3.62Å; L716-V726 HydrophobicContact CD2-CB 4.22Å; L716-V726 HydrophobicContact CD2-CG1 3.87Å; L716-V726 HydrophobicContact CD2-CG2 3.93Å; V724-V726 HydrophobicContact CG1-CG2 4.37Å; V726-W728 HydrophobicContact CB-CZ3 4.27Å; V726-W728 HydrophobicContact CG1-CE3 3.96Å; V726-W728 HydrophobicContact CG1-CZ3 4.1Å; V726-V745 HydrophobicContact CG1-CG1 4.41Å; V726-V745 HydrophobicContact CG2-CG1 4.48Å; V726-T849 CarbonylContact O-C 3.52Å; V726-T849 WeakPolarHBondContact O-CA 3.27Å; V726-T849 WeakPolarHBondContact O-CB 2.99Å; V726-S850 PolarHBondContact N-O 3.32Å; V726-S850 PolarHBondContact O-N 2.94Å; V726-L852 HydrophobicContact CG2-CD1 3.86Å; V726-L852 HydrophobicContact CG2-CG 3.71Å; V726-I863 HydrophobicContact CG1-CG2 4.24Å; V726-I863 HydrophobicContact CG2-CD1 4.46Å; V726-I863 HydrophobicContact CG2-CG2 4.35Å; V726-V865 HydrophobicContact CG1-CG2 4.32Å |
| 727 | S | 90.3 | Very high | 85.6 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 132 | -179.7 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | L713 L714 H715 E848 | L713-S727 WeakPolarHBondContact CD1-O 3.32Å; L714-S727 WeakPolarHBondContact CB-O 3.25Å; L714-S727 PolarHBondContact N-O 3.41Å; H715-S727 PolarHBondContact N-O 3.14Å; H715-S727 PolarHBondContact N-OG 3.3Å; H715-S727 PolarHBondContact O-N 2.75Å; H715-S727 PolarHBondContact O-OG 3.43Å; S727-E848 WeakPolarHBondContact CA-O 3.46Å |
| 728 | W | 92.7 | Very high | 85.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 163.3 | -178.1 | 62.4 | 94.1 | 0 | 0 | 0 | 111.4 | I712 L713 V726 Y743 V745 I827 Q847 E848 V865 | I712-W728 CarbonylContact O-C 3.47Å; I712-W728 WeakPolarHBondContact O-CA 3.32Å; I712-W728 WeakPolarHBondContact O-CB 2.96Å; L713-W728 HydrophobicContact CD1-CB 4.23Å; V726-W728 HydrophobicContact CB-CZ3 4.27Å; V726-W728 HydrophobicContact CG1-CE3 3.96Å; V726-W728 HydrophobicContact CG1-CZ3 4.1Å; W728-Y743 AromaticContact CZ2-CD2 3.79Å; W728-Y743 HydrophobicContact CZ2-CD2 3.79Å; W728-Y743 HydrophobicContact CZ2-CE2 4.32Å; W728-Y743 AromaticContact CZ2-CG 3.91Å; W728-Y743 HydrophobicContact CZ2-CG 3.91Å; W728-Y743 AromaticContact NE1-CD1 3.5Å; W728-Y743 AromaticContact NE1-CE1 3.5Å; W728-Y743 AromaticContact NE1-CG 3.75Å; W728-Y743 AromaticContact NE1-CZ 3.76Å; W728-V745 HydrophobicContact CH2-CG2 4.4Å; W728-V745 HydrophobicContact CZ3-CG2 4.24Å; W728-I827 HydrophobicContact CH2-CD1 4.09Å; W728-I827 HydrophobicContact CH2-CG2 4.45Å; W728-Q847 WeakPolarHBondContact O-CA 3.5Å; W728-E848 HydrophobicContact CD2-CB 4.5Å; W728-E848 HydrophobicContact CH2-CB 4.45Å; W728-E848 HydrophobicContact CZ2-CB 3.71Å; W728-E848 PolarHBondContact N-O 2.78Å; W728-E848 PolarHBondContact O-N 2.85Å; W728-V865 HydrophobicContact CD2-CG1 4.18Å; W728-V865 HydrophobicContact CE3-CG2 4.36Å; W728-V865 HydrophobicContact CG-CG1 4.38Å |
| 729 | S | 91 | Very high | 85.5 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.4 | 168.2 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | L711 I712 I846 | L711-S729 WeakPolarHBondContact CA-O 3.46Å; I712-S729 PolarHBondContact N-O 2.95Å; I712-S729 PolarHBondContact O-N 3.4Å; S729-I846 VanDerWaalsContact CA-O 3.23Å; S729-I846 WeakPolarHBondContact CA-O 3.33Å; S729-I846 WeakPolarHBondContact CB-O 3.48Å |
| 730 | I | 89.7 | Confident | 85.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.9 | 169.4 | -179.4 | 172.3 | 0 | 0 | 0 | 106.9 | V709 E732 L737 V740 T845 I846 | V709-I730 HydrophobicContact CG1-CD1 3.46Å; V709-I730 VanDerWaalsContact CG1-CD1 3.46Å; V709-I730 HydrophobicContact CG1-CG1 3.76Å; I730-E732 HydrophobicContact CG1-CG 4.21Å; I730-L737 HydrophobicContact CD1-CD2 3.73Å; I730-L737 HydrophobicContact CG1-CD2 3.88Å; I730-L737 HydrophobicContact CG2-CD2 4.01Å; I730-V740 HydrophobicContact CD1-CG2 3.88Å; I730-T845 CarbonylContact O-C 3.52Å; I730-T845 VanDerWaalsContact O-CA 3.31Å; I730-T845 WeakPolarHBondContact O-CA 3.28Å; I730-I846 HydrophobicContact CG2-CB 3.85Å; I730-I846 PolarHBondContact N-O 3.4Å; I730-I846 PolarHBondContact O-N 2.9Å |
| 731 | T | 87 | Confident | 85.9 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 104 | 178.8 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | A843 L844 T845 | T731-A843 HydrophobicContact CG2-CB 4.19Å; T731-L844 WeakPolarHBondContact CA-O 3.48Å; T731-T845 VanDerWaalsContact CG2-OG1 3.31Å; T731-T845 WeakPolarHBondContact CG2-OG1 3.37Å; T731-T845 WeakPolarHBondContact OG1-CB 3.47Å; T731-T845 WeakPolarHBondContact OG1-CG2 3.33Å; T731-T845 PolarHBondContact OG1-OG1 2.77Å |
| 732 | E | 86.2 | Confident | 86.1 | Confident | 36 Ų | 36 | 39.5 Ų | 39.5 | 17% | 0.168 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 165.4 | -170.6 | -83.5 | -64.6 | 170.3 | 0 | 0 | 111.2 | V709 I730 V736 L737 A843 L844 | V709-E732 WeakPolarHBondContact CA-OE1 3.15Å; V709-E732 HydrophobicContact CB-CG 4.46Å; V709-E732 HydrophobicContact CG1-CG 4.12Å; V709-E732 HydrophobicContact CG2-CG 3.9Å; I730-E732 HydrophobicContact CG1-CG 4.21Å; E732-V736 HydrophobicContact CB-CB 4.31Å; E732-V736 HydrophobicContact CB-CG1 4.24Å; E732-V736 HydrophobicContact CG-CG1 4.01Å; E732-L737 HydrophobicContact CB-CD2 3.77Å; E732-L737 HydrophobicContact CB-CG 3.8Å; E732-L737 WeakPolarHBondContact O-CD1 3.39Å; E732-A843 WeakPolarHBondContact O-CA 3.22Å; E732-L844 PolarHBondContact N-O 2.83Å; E732-L844 PolarHBondContact O-N 2.69Å |
| 733 | V | 82.3 | Confident | 86.4 | Confident | 54 Ų | 54 | 35.4 Ų | 35.4 | 33% | 0.327 | 18% | 0.181 | S | C | . | . | trans | -73.6 | 147.5 | 174 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | P735 V736 L737 | V733-P735 VanDerWaalsContact C-CD 3.42Å; V733-P735 VanDerWaalsContact C-N 3.34Å; V733-P735 VanDerWaalsContact O-N 3.12Å; V733-V736 HydrophobicContact CG2-CB 4.23Å; V733-V736 HydrophobicContact CG2-CG2 3.75Å; V733-V736 PolarHBondContact O-N 3.49Å; V733-L737 PolarHBondContact O-N 2.9Å; V733-L737 VanDerWaalsContact O-N 3.08Å | ||
| 734 | P | 80.4 | Confident | 86.6 | Confident | 26 Ų | 26 | 30.6 Ų | 30.6 | 17% | 0.169 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -52.1 | -35.2 | -175.1 | -30.7 | 37.6 | 0 | 0 | 0 | 116.9 | V736 L737 S738 I840 | P734-V736 PolarHBondContact O-N 2.85Å; P734-L737 PolarHBondContact O-N 3.32Å; P734-S738 WeakPolarHBondContact O-CB 3.39Å; P734-S738 PolarHBondContact O-N 2.95Å; P734-I840 WeakPolarHBondContact CG-O 3.38Å |
| 735 | P | 77.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 30.6 Ų | 30.6 | 42% | 0.422 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 173 | -26 | 36.1 | 0 | 0 | 0 | 113.4 | V733 S738 | V733-P735 VanDerWaalsContact C-CD 3.42Å; V733-P735 VanDerWaalsContact C-N 3.34Å; V733-P735 VanDerWaalsContact O-N 3.12Å; P735-S738 PolarHBondContact O-N 3.38Å; P735-S738 PolarHBondContact O-OG 3.33Å |
| 736 | V | 82.1 | Confident | 87 | Confident | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -73.4 | -40.4 | 179.1 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | V709 E732 V733 P734 S738 M739 | V709-V736 HydrophobicContact CG2-CG1 3.62Å; E732-V736 HydrophobicContact CB-CB 4.31Å; E732-V736 HydrophobicContact CB-CG1 4.24Å; E732-V736 HydrophobicContact CG-CG1 4.01Å; V733-V736 HydrophobicContact CG2-CB 4.23Å; V733-V736 HydrophobicContact CG2-CG2 3.75Å; V733-V736 PolarHBondContact O-N 3.49Å; P734-V736 PolarHBondContact O-N 2.85Å; V736-S738 VanDerWaalsContact C-N 3.27Å; V736-S738 PolarHBondContact O-N 2.91Å; V736-M739 WeakPolarHBondContact O-CB 3.43Å; V736-M739 PolarHBondContact O-N 3.08Å; V736-M739 VanDerWaalsContact O-N 3.1Å |
| 737 | L | 83 | Confident | 87.1 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 5% | 0.047 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.7 | -39.3 | 171.8 | -67.9 | 172.6 | 0 | 0 | 0 | 111.7 | I730 E732 V733 P734 M739 V740 L844 I846 | I730-L737 HydrophobicContact CD1-CD2 3.73Å; I730-L737 HydrophobicContact CG1-CD2 3.88Å; I730-L737 HydrophobicContact CG2-CD2 4.01Å; E732-L737 HydrophobicContact CB-CD2 3.77Å; E732-L737 HydrophobicContact CB-CG 3.8Å; E732-L737 WeakPolarHBondContact O-CD1 3.39Å; V733-L737 PolarHBondContact O-N 2.9Å; V733-L737 VanDerWaalsContact O-N 3.08Å; P734-L737 PolarHBondContact O-N 3.32Å; L737-M739 PolarHBondContact O-N 3.38Å; L737-M739 VanDerWaalsContact O-N 3.16Å; L737-V740 WeakPolarHBondContact O-CB 3.27Å; L737-V740 WeakPolarHBondContact O-CG2 3.4Å; L737-V740 PolarHBondContact O-N 2.89Å; L737-L844 HydrophobicContact CD1-CB 3.79Å; L737-L844 HydrophobicContact CD1-CD2 4.06Å; L737-L844 HydrophobicContact CD1-CG 4.24Å; L737-I846 HydrophobicContact CD1-CD1 3.98Å; L737-I846 HydrophobicContact CD1-CG1 4.28Å; L737-I846 HydrophobicContact CD2-CD1 4.1Å; L737-I846 HydrophobicContact CG-CD1 4.49Å |
| 738 | S | 79 | Confident | 87.2 | Confident | 74 Ų | 74 | 31 Ų | 31 | 52% | 0.517 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12.9 | 177.7 | 81.2 | 0 | 0 | 0 | 0 | 114.7 | P734 P735 V736 | P734-S738 WeakPolarHBondContact O-CB 3.39Å; P734-S738 PolarHBondContact O-N 2.95Å; P735-S738 PolarHBondContact O-N 3.38Å; P735-S738 PolarHBondContact O-OG 3.33Å; V736-S738 VanDerWaalsContact C-N 3.27Å; V736-S738 PolarHBondContact O-N 2.91Å |
| 739 | M | 82.3 | Confident | 87.1 | Confident | 41 Ų | 41 | 34.2 Ų | 34.2 | 20% | 0.202 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -19.7 | 170.5 | -68.1 | -161.6 | 135.8 | 0 | 0 | 113.7 | S702 F706 V736 L737 K741 S869 | S702-M739 VanDerWaalsContact CB-SD 3.55Å; F706-M739 HydrophobicContact CB-SD 4.36Å; F706-M739 HydrophobicContact CD2-CB 3.96Å; V736-M739 WeakPolarHBondContact O-CB 3.43Å; V736-M739 PolarHBondContact O-N 3.08Å; V736-M739 VanDerWaalsContact O-N 3.1Å; L737-M739 PolarHBondContact O-N 3.38Å; L737-M739 VanDerWaalsContact O-N 3.16Å; M739-K741 PolarHBondContact O-N 3.5Å; M739-S869 WeakPolarHBondContact O-CB 3.22Å; M739-S869 PolarHBondContact O-OG 2.8Å |
| 740 | V | 85.8 | Confident | 86.9 | Confident | 11 Ų | 11 | 34.4 Ų | 34.4 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | trans | -69.2 | 127.5 | 179.5 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | F706 I730 L737 Y743 T829 A867 | F706-V740 HydrophobicContact CE2-CG2 4.03Å; I730-V740 HydrophobicContact CD1-CG2 3.88Å; L737-V740 WeakPolarHBondContact O-CB 3.27Å; L737-V740 WeakPolarHBondContact O-CG2 3.4Å; L737-V740 PolarHBondContact O-N 2.89Å; V740-Y743 HydrophobicContact CG1-CE1 4.08Å; V740-Y743 HydrophobicContact CG1-CE2 4.32Å; V740-T829 HydrophobicContact CB-CG2 4.32Å; V740-T829 HydrophobicContact CG1-CG2 3.72Å; V740-T829 PolarHBondContact O-OG1 3.34Å; V740-A867 HydrophobicContact CG1-CB 4.09Å | ||
| 741 | K | 85.8 | Confident | 86.8 | Confident | 102 Ų | 102 | 36.5 Ų | 36.5 | 44% | 0.443 | 19% | 0.194 | S | C | . | . | trans | -110.5 | -14 | 175.2 | -75.4 | -173.8 | 171.4 | 179.5 | 0 | 113.6 | M739 K828 T829 Y868 S870 | M739-K741 PolarHBondContact O-N 3.5Å; K741-K828 WeakPolarHBondContact O-CA 3.38Å; K741-T829 WeakPolarHBondContact CA-OG1 3.26Å; K741-T829 PolarHBondContact O-N 3.03Å; K741-T829 PolarHBondContact O-OG1 2.89Å; K741-T829 VanDerWaalsContact O-OG1 3.08Å; K741-Y868 HydrophobicContact CB-CD2 4.34Å; K741-Y868 HydrophobicContact CB-CE2 3.93Å; K741-Y868 PolarHBondContact N-O 2.85Å; K741-S870 VanDerWaalsContact CD-OG 3.28Å; K741-S870 WeakPolarHBondContact CD-OG 3.48Å; K741-S870 WeakPolarHBondContact CE-O 3.47Å; K741-S870 PolarHBondContact NZ-O 2.87Å; K741-S870 PolarHBondContact NZ-OG 2.95Å | ||
| 742 | G | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.1 | -173 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I827 A867 Y868 | G742-I827 CarbonylContact C-O 3.51Å; G742-I827 WeakPolarHBondContact CA-O 3.38Å; G742-A867 CarbonylContact O-C 3.48Å; G742-Y868 VanDerWaalsContact C-CD1 3.45Å; G742-Y868 VanDerWaalsContact C-CE1 3.42Å; G742-Y868 WeakPolarHBondContact O-CD1 3.39Å; G742-Y868 PolarHBondContact O-N 3.25Å |
| 743 | Y | 92.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.6 | -178.5 | -51.1 | -92.1 | 0 | 0 | 0 | 110.4 | L711 W728 V740 I827 T829 E848 V865 K866 A867 | L711-Y743 HydrophobicContact CD2-CD1 3.54Å; L711-Y743 HydrophobicContact CD2-CE1 3.69Å; W728-Y743 AromaticContact CZ2-CD2 3.79Å; W728-Y743 HydrophobicContact CZ2-CD2 3.79Å; W728-Y743 HydrophobicContact CZ2-CE2 4.32Å; W728-Y743 AromaticContact CZ2-CG 3.91Å; W728-Y743 HydrophobicContact CZ2-CG 3.91Å; W728-Y743 AromaticContact NE1-CD1 3.5Å; W728-Y743 AromaticContact NE1-CE1 3.5Å; W728-Y743 AromaticContact NE1-CG 3.75Å; W728-Y743 AromaticContact NE1-CZ 3.76Å; V740-Y743 HydrophobicContact CG1-CE1 4.08Å; V740-Y743 HydrophobicContact CG1-CE2 4.32Å; Y743-I827 PolarHBondContact N-O 2.87Å; Y743-I827 PolarHBondContact O-N 2.84Å; Y743-T829 HydrophobicContact CD2-CG2 4.4Å; Y743-T829 HydrophobicContact CE2-CG2 3.59Å; Y743-E848 WeakPolarHBondContact CE2-OE1 3.5Å; Y743-E848 WeakPolarHBondContact CE2-OE2 3.04Å; Y743-E848 VanDerWaalsContact CZ-OE1 3.25Å; Y743-E848 PolarHBondContact OH-OE1 2.94Å; Y743-V865 HydrophobicContact CD1-CG1 4.47Å; Y743-K866 CarbonylContact C-O 3.57Å; Y743-K866 WeakPolarHBondContact CA-O 3.39Å; Y743-K866 WeakPolarHBondContact CB-O 3.27Å; Y743-A867 HydrophobicContact CD1-CB 3.85Å; Y743-A867 HydrophobicContact CE1-CB 3.9Å |
| 744 | F | 93.1 | Very high | 86.7 | Confident | 28 Ų | 28 | 35.8 Ų | 35.8 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 115.4 | 166.2 | -64.5 | -46.4 | 0 | 0 | 0 | 108.9 | Y746 V824 I825 D826 V865 K866 Y868 I876 E878 | F744-Y746 HydrophobicContact CB-CD2 4.27Å; F744-Y746 HydrophobicContact CB-CE2 3.52Å; F744-Y746 WeakPolarHBondContact O-CD2 3.48Å; F744-Y746 WeakPolarHBondContact O-CE2 3.23Å; F744-V824 HydrophobicContact CB-CG1 3.75Å; F744-V824 HydrophobicContact CD1-CG1 4.04Å; F744-V824 HydrophobicContact CG-CG1 4.07Å; F744-I825 WeakPolarHBondContact CA-O 3.28Å; F744-D826 HydrophobicContact CD1-CB 4.22Å; F744-D826 HydrophobicContact CE1-CB 4.07Å; F744-V865 CarbonylContact O-C 2.97Å; F744-V865 WeakPolarHBondContact O-CA 3.38Å; F744-K866 PolarHBondContact N-O 2.03Å; F744-K866 PolarHBondContact O-N 3.45Å; F744-Y868 AromaticContact CD1-CD1 3.93Å; F744-Y868 HydrophobicContact CD1-CD1 3.93Å; F744-Y868 HydrophobicContact CD1-CE1 4.04Å; F744-Y868 AromaticContact CD2-CD1 3.87Å; F744-Y868 HydrophobicContact CD2-CD1 3.87Å; F744-Y868 HydrophobicContact CD2-CG 4.38Å; F744-Y868 AromaticContact CE1-CD1 3.68Å; F744-Y868 HydrophobicContact CE1-CD1 3.68Å; F744-Y868 AromaticContact CE1-CE1 3.66Å; F744-Y868 HydrophobicContact CE1-CE1 3.66Å; F744-Y868 AromaticContact CE2-CD1 3.63Å; F744-Y868 HydrophobicContact CE2-CD1 3.63Å; F744-Y868 HydrophobicContact CE2-CE1 4.42Å; F744-Y868 AromaticContact CE2-CG 3.85Å; F744-Y868 HydrophobicContact CE2-CG 3.85Å; F744-Y868 HydrophobicContact CG-CD1 4.01Å; F744-Y868 AromaticContact CZ-CD1 3.52Å; F744-Y868 HydrophobicContact CZ-CD1 3.52Å; F744-Y868 AromaticContact CZ-CE1 3.87Å; F744-Y868 HydrophobicContact CZ-CE1 3.87Å; F744-Y868 AromaticContact CZ-CG 3.92Å; F744-Y868 HydrophobicContact CZ-CG 3.92Å; F744-I876 HydrophobicContact CE2-CG2 3.93Å; F744-I876 HydrophobicContact CZ-CD1 4.22Å; F744-I876 HydrophobicContact CZ-CG2 4.12Å; F744-E878 HydrophobicContact CD2-CG 4.32Å; F744-E878 HydrophobicContact CE2-CG 4.34Å |
| 745 | V | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 114.9 | 168.1 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | V726 W728 V824 I825 I827 L852 I863 V865 | V726-V745 HydrophobicContact CG1-CG1 4.41Å; V726-V745 HydrophobicContact CG2-CG1 4.48Å; W728-V745 HydrophobicContact CH2-CG2 4.4Å; W728-V745 HydrophobicContact CZ3-CG2 4.24Å; V745-V824 WeakPolarHBondContact O-CA 3.3Å; V745-I825 PolarHBondContact N-O 2.7Å; V745-I825 PolarHBondContact O-N 2.72Å; V745-I827 HydrophobicContact CB-CD1 4.05Å; V745-I827 HydrophobicContact CG2-CD1 3.31Å; V745-L852 HydrophobicContact CG1-CD2 3.94Å; V745-I863 HydrophobicContact CG1-CG2 3.84Å; V745-V865 HydrophobicContact CG2-CG1 4.02Å; V745-V865 HydrophobicContact CG2-CG2 3.97Å |
| 746 | Y | 92.5 | Very high | 86.8 | Confident | 25 Ų | 25 | 31.9 Ų | 31.9 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.2 | 176.4 | -55.9 | -102.9 | 0 | 0 | 0 | 108.5 | F744 W822 T823 V824 I863 K864 K866 E878 | F744-Y746 HydrophobicContact CB-CD2 4.27Å; F744-Y746 HydrophobicContact CB-CE2 3.52Å; F744-Y746 WeakPolarHBondContact O-CD2 3.48Å; F744-Y746 WeakPolarHBondContact O-CE2 3.23Å; Y746-W822 HydrophobicContact CD1-CB 4.27Å; Y746-T823 CarbonylContact C-O 3.52Å; Y746-T823 WeakPolarHBondContact CA-O 3.38Å; Y746-V824 HydrophobicContact CD1-CB 4.37Å; Y746-V824 HydrophobicContact CD1-CG1 4.05Å; Y746-V824 HydrophobicContact CD1-CG2 3.53Å; Y746-V824 HydrophobicContact CE1-CB 4.49Å; Y746-V824 HydrophobicContact CE1-CG1 3.91Å; Y746-V824 HydrophobicContact CE1-CG2 3.71Å; Y746-V824 HydrophobicContact CG-CG1 4.45Å; Y746-V824 HydrophobicContact CG-CG2 4.45Å; Y746-I863 WeakPolarHBondContact O-CA 3.26Å; Y746-K864 HydrophobicContact CD2-CG 4.41Å; Y746-K864 PolarHBondContact N-O 2.84Å; Y746-K864 PolarHBondContact O-N 2.66Å; Y746-K866 HydrophobicContact CE2-CB 4.14Å; Y746-K866 HydrophobicContact CE2-CD 3.8Å; Y746-K866 HydrophobicContact CE2-CG 3.78Å; Y746-E878 PolarHBondContact OH-OE1 2.82Å |
| 747 | H | 92.9 | Very high | 86 | Confident | 21 Ų | 21 | 35.3 Ų | 35.3 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 159.4 | 170.5 | 65.4 | 115.9 | 0 | 0 | 0 | 111.6 | W822 T823 L852 E862 I863 | H747-W822 CarbonylContact O-C 3.2Å; H747-W822 WeakPolarHBondContact O-CA 3.2Å; H747-T823 PolarHBondContact CD2-O 3.07Å; H747-T823 PolarHBondContact CD2-OG1 2.97Å; H747-T823 PolarHBondContact CE1-OG1 2.94Å; H747-T823 VanDerWaalsContact CG-OG1 3.3Å; H747-T823 PolarHBondContact N-O 2.79Å; H747-T823 PolarHBondContact ND1-OG1 2.81Å; H747-T823 PolarHBondContact NE2-OG1 3.2Å; H747-T823 PolarHBondContact O-N 3.32Å; H747-T823 PolarHBondContact O-OG1 3.28Å; H747-T823 VanDerWaalsContact O-OG1 3.07Å; H747-L852 HydrophobicContact CB-CD1 4.11Å; H747-E862 CarbonylContact C-O 3.55Å; H747-E862 VanDerWaalsContact CA-O 3.31Å; H747-E862 WeakPolarHBondContact CA-O 3.31Å; H747-I863 HydrophobicContact CB-CG1 3.88Å |
| 748 | R | 92.2 | Very high | 84.7 | Confident | 84 Ų | 84 | 41 Ų | 41 | 32% | 0.317 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 151 | 168.3 | 61 | 178.3 | 178.8 | -179.3 | -1.3 | 110.8 | V750 W822 Y861 E862 | R748-V750 HydrophobicContact CG-CG1 4.14Å; R748-W822 HydrophobicContact CB-CD2 4.42Å; R748-W822 HydrophobicContact CB-CE3 4.29Å; R748-W822 HydrophobicContact CG-CD2 4.05Å; R748-W822 HydrophobicContact CG-CE3 3.9Å; R748-W822 HydrophobicContact CG-CH2 4.28Å; R748-W822 HydrophobicContact CG-CZ2 4.4Å; R748-W822 HydrophobicContact CG-CZ3 4.02Å; R748-W822 VanDerWaalsContact CZ-CZ2 3.49Å; R748-W822 VanDerWaalsContact NE-CZ2 3.32Å; R748-Y861 WeakPolarHBondContact O-CA 3.23Å; R748-Y861 WeakPolarHBondContact O-CD1 3.21Å; R748-E862 HydrophobicContact CG-CB 4.27Å; R748-E862 IonicContact CZ-OE2 3.41Å; R748-E862 VanDerWaalsContact CZ-OE2 3.26Å; R748-E862 PolarHBondContact N-O 3.1Å; R748-E862 IonicContact NE-OE2 2.75Å; R748-E862 PolarHBondContact NE-OE2 2.9Å; R748-E862 IonicContact NH2-OE2 3.53Å; R748-E862 PolarHBondContact NH2-OE2 3.32Å; R748-E862 PolarHBondContact O-N 3.45Å |
| 749 | E | 90.6 | Very high | 83.5 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 145.1 | 167 | -170.2 | 179.6 | -158.4 | 0 | 0 | 109.1 | R859 Y861 | E749-R859 WeakPolarHBondContact OE1-CD 3.42Å; E749-R859 WeakPolarHBondContact OE1-CG 3.43Å; E749-R859 IonicContact OE1-NE 3.51Å; E749-R859 PolarHBondContact OE1-NE 3.22Å; E749-Y861 HydrophobicContact CB-CD1 4.37Å; E749-Y861 HydrophobicContact CB-CE1 3.98Å |
| 750 | V | 88.3 | Confident | 81.9 | Confident | 11 Ų | 11 | 42.7 Ų | 42.7 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 158.3 | 170.8 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | R748 L752 K754 C860 E862 | R748-V750 HydrophobicContact CG-CG1 4.14Å; V750-L752 PolarHBondContact O-N 2.84Å; V750-K754 HydrophobicContact CB-CD 4.16Å; V750-K754 HydrophobicContact CG2-CB 4.19Å; V750-K754 HydrophobicContact CG2-CD 4.25Å; V750-C860 HydrophobicContact CG2-CB 4.04Å; V750-C860 WeakPolarHBondContact CG2-SG 3.41Å; V750-C860 PolarHBondContact N-O 3.38Å; V750-E862 HydrophobicContact CG1-CB 3.71Å; V750-E862 HydrophobicContact CG2-CB 4.32Å |
| 751 | P | 87.4 | Confident | 79.9 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 30% | 0.299 | 25% | 0.25 | S | C | . | . | trans | -50.6 | 129.5 | -178.5 | -30 | 35.5 | 0 | 0 | 0 | 112.5 | M753 K754 Q800 | P751-M753 PolarHBondContact O-N 2.94Å; P751-K754 WeakPolarHBondContact O-CB 3.47Å; P751-K754 PolarHBondContact O-N 2.81Å; P751-Q800 VanDerWaalsContact C-OE1 3.32Å | ||
| 752 | L | 85.6 | Confident | 77.8 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -42.9 | -172.1 | 178.1 | 61 | 0 | 0 | 0 | 113.3 | V750 K754 C755 I756 L796 M799 Q800 F858 L888 | V750-L752 PolarHBondContact O-N 2.84Å; L752-K754 PolarHBondContact O-N 2.87Å; L752-K754 VanDerWaalsContact O-N 3.14Å; L752-C755 PolarHBondContact O-N 2.82Å; L752-I756 HydrophobicContact CD1-CD1 4.31Å; L752-I756 HydrophobicContact CD2-CD1 4.45Å; L752-I756 HydrophobicContact CG-CD1 3.98Å; L752-L796 HydrophobicContact CD2-CD2 4.25Å; L752-M799 HydrophobicContact CD2-CE 3.34Å; L752-Q800 HydrophobicContact CB-CG 4.49Å; L752-F858 HydrophobicContact CD2-CD1 4.28Å; L752-F858 HydrophobicContact CD2-CE1 3.93Å; L752-F858 HydrophobicContact CD2-CZ 4.45Å; L752-L888 HydrophobicContact CD1-CD1 3.44Å; L752-L888 VanDerWaalsContact CD1-CD1 3.44Å |
| 753 | M | 83.4 | Confident | 75.8 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 17% | 0.167 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.6 | -29 | 179.9 | -67.8 | -58.5 | -77.6 | 0 | 0 | 112.8 | P751 C755 I756 S757 L793 L796 E797 Q800 | P751-M753 PolarHBondContact O-N 2.94Å; M753-C755 PolarHBondContact O-N 2.96Å; M753-C755 VanDerWaalsContact O-N 3.11Å; M753-I756 PolarHBondContact O-N 3.3Å; M753-I756 HydrophobicContact SD-CD1 4.41Å; M753-S757 WeakPolarHBondContact O-CB 3.5Å; M753-S757 PolarHBondContact O-N 3.36Å; M753-S757 PolarHBondContact O-OG 2.94Å; M753-L793 HydrophobicContact CE-CD1 3.73Å; M753-L796 HydrophobicContact SD-CB 4.45Å; M753-E797 HydrophobicContact CE-CG 3.94Å; M753-E797 HydrophobicContact SD-CG 4.26Å; M753-Q800 VanDerWaalsContact CG-OE1 3.31Å |
| 754 | K | 84.1 | Confident | 73.3 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -14.7 | 175.4 | -67.3 | -175.4 | -179.5 | 177.3 | 0 | 114.4 | V750 P751 L752 | V750-K754 HydrophobicContact CB-CD 4.16Å; V750-K754 HydrophobicContact CG2-CB 4.19Å; V750-K754 HydrophobicContact CG2-CD 4.25Å; P751-K754 WeakPolarHBondContact O-CB 3.47Å; P751-K754 PolarHBondContact O-N 2.81Å; L752-K754 PolarHBondContact O-N 2.87Å; L752-K754 VanDerWaalsContact O-N 3.14Å |
| 755 | C | 83.2 | Confident | 70.7 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.02 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -95.6 | -14.8 | 169.8 | -81.4 | 0 | 0 | 0 | 0 | 113.5 | L752 M753 K759 C860 V887 L888 | L752-C755 PolarHBondContact O-N 2.82Å; M753-C755 PolarHBondContact O-N 2.96Å; M753-C755 VanDerWaalsContact O-N 3.11Å; C755-K759 VanDerWaalsContact O-CB 3.27Å; C755-K759 WeakPolarHBondContact O-CB 3.45Å; C755-C860 HydrophobicContact CB-CB 3.64Å; C755-C860 WeakPolarHBondContact CB-SG 3.24Å; C755-C860 PolarHBondContact N-SG 2.91Å; C755-C860 VanDerWaalsContact N-SG 3.36Å; C755-C860 VanDerWaalsContact SG-CA 3.5Å; C755-C860 WeakPolarHBondContact SG-CB 3.26Å; C755-C860 CovalentContact SG-SG 2.02Å; C755-C860 PolarHBondContact SG-SG 3.34Å; C755-V887 VanDerWaalsContact SG-C 3.53Å; C755-V887 PolarHBondContact SG-O 2.88Å; C755-V887 VanDerWaalsContact SG-O 3.34Å; C755-L888 HydrophobicContact CB-CB 4.15Å |
| 756 | I | 76.8 | Confident | 68.2 | Low | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -102.4 | -49.7 | -174.9 | -58 | -179.2 | 0 | 0 | 0 | 109.9 | L752 M753 N758 K759 L760 I782 L796 | L752-I756 HydrophobicContact CD1-CD1 4.31Å; L752-I756 HydrophobicContact CD2-CD1 4.45Å; L752-I756 HydrophobicContact CG-CD1 3.98Å; M753-I756 PolarHBondContact O-N 3.3Å; M753-I756 HydrophobicContact SD-CD1 4.41Å; I756-N758 PolarHBondContact O-N 3.43Å; I756-N758 VanDerWaalsContact O-N 3.1Å; I756-K759 PolarHBondContact O-N 3.02Å; I756-K759 VanDerWaalsContact O-N 3.12Å; I756-L760 HydrophobicContact CG2-CD1 4.13Å; I756-L760 HydrophobicContact CG2-CG 4.35Å; I756-L760 PolarHBondContact O-N 2.84Å; I756-I782 HydrophobicContact CD1-CD1 4.25Å; I756-L796 HydrophobicContact CD1-CD1 4.12Å |
| 757 | S | 65.6 | Low | 65.6 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 51% | 0.51 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.1 | -178.4 | 62.1 | 0 | 0 | 0 | 0 | 114.8 | M753 | M753-S757 WeakPolarHBondContact O-CB 3.5Å; M753-S757 PolarHBondContact O-N 3.36Å; M753-S757 PolarHBondContact O-OG 2.94Å |
| 758 | N | 55.8 | Low | 63.1 | Low | 129 Ų | 129 | 69.6 Ų | 69.6 | 69% | 0.69 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.7 | 11.7 | -176.1 | -69.8 | 67.9 | 0 | 0 | 0 | 112.7 | I756 | I756-N758 PolarHBondContact O-N 3.43Å; I756-N758 VanDerWaalsContact O-N 3.1Å |
| 759 | K | 52.5 | Low | 60.6 | Low | 78 Ų | 78 | 67.6 Ų | 67.6 | 34% | 0.339 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.8 | 1 | -169.9 | -117.9 | 177.3 | 176.8 | 178.7 | 0 | 114.7 | C755 I756 E761 G762 I763 K886 | C755-K759 VanDerWaalsContact O-CB 3.27Å; C755-K759 WeakPolarHBondContact O-CB 3.45Å; I756-K759 PolarHBondContact O-N 3.02Å; I756-K759 VanDerWaalsContact O-N 3.12Å; K759-E761 PolarHBondContact O-N 2.84Å; K759-G762 PolarHBondContact O-N 3.39Å; K759-G762 VanDerWaalsContact O-N 3.08Å; K759-I763 HydrophobicContact CB-CD1 3.81Å; K759-I763 HydrophobicContact CB-CG1 3.89Å; K759-I763 HydrophobicContact CD-CD1 4.07Å; K759-I763 HydrophobicContact CD-CG1 3.89Å; K759-I763 HydrophobicContact CG-CD1 4.2Å; K759-I763 HydrophobicContact CG-CG1 3.84Å; K759-I763 WeakPolarHBondContact O-CB 3.11Å; K759-I763 PolarHBondContact O-N 3.24Å; K759-K886 PolarHBondContact NZ-O 2.91Å |
| 760 | L | 49.3 | Very low | 58.9 | Low | 73 Ų | 73 | 66.5 Ų | 66.5 | 38% | 0.382 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.1 | 171 | -84.9 | 158 | 0 | 0 | 0 | 114 | I756 Y764 | I756-L760 HydrophobicContact CG2-CD1 4.13Å; I756-L760 HydrophobicContact CG2-CG 4.35Å; I756-L760 PolarHBondContact O-N 2.84Å; L760-Y764 HydrophobicContact CD2-CE2 4.11Å; L760-Y764 WeakPolarHBondContact O-CD2 3.25Å; L760-Y764 WeakPolarHBondContact O-CE2 3.22Å |
| 761 | E | 44 | Very low | 57.1 | Low | 189 Ų | 189 | 68.6 Ų | 68.6 | 88% | 0.883 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -23.1 | 170.8 | -62.1 | 178.7 | 134.2 | 0 | 0 | 112.9 | K759 | K759-E761 PolarHBondContact O-N 2.84Š|
| 762 | G | 41.9 | Very low | 55.3 | Low | 46 Ų | 46 | 68.2 Ų | 68.2 | 47% | 0.474 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -16.9 | -168 | 0 | 0 | 0 | 0 | 0 | 116.6 | K759 | K759-G762 PolarHBondContact O-N 3.39Å; K759-G762 VanDerWaalsContact O-N 3.08Å |
| 763 | I | 46.4 | Very low | 53.5 | Low | 47 Ų | 47 | 78.2 Ų | 78.2 | 24% | 0.241 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -72.9 | -19.3 | 166.9 | -72.6 | 171.6 | 0 | 0 | 0 | 110.7 | K759 L770 | K759-I763 HydrophobicContact CB-CD1 3.81Å; K759-I763 HydrophobicContact CB-CG1 3.89Å; K759-I763 HydrophobicContact CD-CD1 4.07Å; K759-I763 HydrophobicContact CD-CG1 3.89Å; K759-I763 HydrophobicContact CG-CD1 4.2Å; K759-I763 HydrophobicContact CG-CG1 3.84Å; K759-I763 WeakPolarHBondContact O-CB 3.11Å; K759-I763 PolarHBondContact O-N 3.24Å; I763-L770 HydrophobicContact CG2-CD1 3.9Å; I763-L770 HydrophobicContact CG2-CD2 3.79Å; I763-L770 HydrophobicContact CG2-CG 4.19Å |
| 764 | Y | 42 | Very low | 51.7 | Low | 69 Ų | 69 | 83.4 Ų | 83.4 | 27% | 0.271 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -99.2 | -6.8 | -161.5 | -68.7 | -108.4 | 0 | 0 | 0 | 113.9 | L760 | L760-Y764 HydrophobicContact CD2-CE2 4.11Å; L760-Y764 WeakPolarHBondContact O-CD2 3.25Å; L760-Y764 WeakPolarHBondContact O-CE2 3.22Å |
| 765 | S | 37.5 | Very low | 50.2 | Low | 92 Ų | 92 | 81.2 Ų | 81.2 | 64% | 0.643 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -77.5 | -40.5 | 176 | 56 | 0 | 0 | 0 | 0 | 113 | A767 | S765-A767 PolarHBondContact O-N 3.15Š|
| 766 | D | 39.6 | Very low | 49 | Very low | 111 Ų | 111 | 86.7 Ų | 86.7 | 59% | 0.594 | 50% | 0.498 | S | S | * | . | trans | -93.8 | 73 | 175 | -78 | -37 | 0 | 0 | 0 | 110.5 | T768 G769 | D766-T768 PolarHBondContact O-N 3.14Å; D766-G769 PolarHBondContact O-N 3.25Å | ||
| 767 | A | 38.9 | Very low | 48.4 | Very low | 79 Ų | 79 | 94.2 Ų | 94.2 | 65% | 0.653 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -17.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | S765 | S765-A767 PolarHBondContact O-N 3.15Š|
| 768 | T | 39.3 | Very low | 48.7 | Very low | 121 Ų | 121 | 92.1 Ų | 92.1 | 74% | 0.742 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -18.2 | 172.4 | 49.9 | 0 | 0 | 0 | 0 | 113.9 | D766 | D766-T768 PolarHBondContact O-N 3.14Š|
| 769 | G | 41.2 | Very low | 49.9 | Very low | 43 Ų | 43 | 87.4 Ų | 87.4 | 44% | 0.443 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -89.6 | -6.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D766 M778 | D766-G769 PolarHBondContact O-N 3.25Å; G769-M778 WeakPolarHBondContact O-CE 3.24Å |
| 770 | L | 53.4 | Low | 51.1 | Low | 44 Ų | 44 | 85.5 Ų | 85.5 | 23% | 0.23 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -94.9 | -6.9 | -175.5 | -81.3 | 166.1 | 0 | 0 | 0 | 114.6 | I763 M778 Y779 | I763-L770 HydrophobicContact CG2-CD1 3.9Å; I763-L770 HydrophobicContact CG2-CD2 3.79Å; I763-L770 HydrophobicContact CG2-CG 4.19Å; L770-M778 WeakPolarHBondContact O-CB 3.43Å; L770-M778 WeakPolarHBondContact O-CG 3.41Å; L770-M778 PolarHBondContact O-N 3.24Å; L770-Y779 HydrophobicContact CD2-CD2 3.73Å; L770-Y779 HydrophobicContact CD2-CE2 4.05Å |
| 771 | T | 51.8 | Low | 52.2 | Low | 55 Ų | 55 | 82.5 Ų | 82.5 | 34% | 0.337 | 46% | 0.463 | S | S | . | . | B | Isolated β-bridge | trans | -115.7 | 144.2 | 175.4 | 48 | 0 | 0 | 0 | 0 | 110.6 | G775 E776 R777 | T771-G775 WeakPolarHBondContact CG2-O 3.48Å; T771-E776 CarbonylContact C-O 3.54Å; T771-E776 VanDerWaalsContact CA-O 3.28Å; T771-E776 WeakPolarHBondContact CA-O 3.45Å; T771-R777 HydrophobicContact CG2-CG 4.32Å |
| 772 | T | 49.8 | Very low | 53.5 | Low | 39 Ų | 39 | 74.9 Ų | 74.9 | 24% | 0.239 | 43% | 0.428 | C | S | . | . | trans | -60.9 | 167.2 | 164.8 | 67 | 0 | 0 | 0 | 0 | 110 | N774 G775 E776 | T772-N774 PolarHBondContact O-N 3.34Å; T772-N774 PolarHBondContact OG1-N 3.49Å; T772-G775 PolarHBondContact O-N 2.69Å; T772-E776 HydrophobicContact CG2-CB 4.13Å; T772-E776 PolarHBondContact N-O 3.47Å; T772-E776 WeakPolarHBondContact OG1-CB 3.21Å; T772-E776 PolarHBondContact OG1-N 2.71Å | ||
| 773 | K | 46.9 | Very low | 54.3 | Low | 216 Ų | 216 | 78.2 Ų | 78.2 | 94% | 0.939 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -19.7 | 171.4 | -75 | -170.4 | 175.3 | -174.6 | 0 | 113.1 | ||
| 774 | N | 46.2 | Very low | 54.4 | Low | 142 Ų | 142 | 79.9 Ų | 79.9 | 76% | 0.759 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 8.9 | -178.3 | -55.2 | 16.5 | 0 | 0 | 0 | 112.1 | T772 E776 | T772-N774 PolarHBondContact O-N 3.34Å; T772-N774 PolarHBondContact OG1-N 3.49Å; N774-E776 VanDerWaalsContact C-N 3.33Å; N774-E776 PolarHBondContact O-N 3.31Å |
| 775 | G | 52.2 | Low | 54.4 | Low | 49 Ų | 49 | 80 Ų | 80 | 51% | 0.505 | 45% | 0.453 | S | S | . | . | trans | 82.6 | -2.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | T771 T772 R777 | T771-G775 WeakPolarHBondContact CG2-O 3.48Å; T772-G775 PolarHBondContact O-N 2.69Å; G775-R777 PolarHBondContact O-N 3.42Å | ||
| 776 | E | 57.4 | Low | 54.9 | Low | 118 Ų | 118 | 83.4 Ų | 83.4 | 55% | 0.551 | 47% | 0.47 | S | S | * | . | trans | -70.4 | 122.8 | -178.5 | -54.8 | 177.6 | 129.2 | 0 | 0 | 110.9 | T771 T772 N774 M778 | T771-E776 CarbonylContact C-O 3.54Å; T771-E776 VanDerWaalsContact CA-O 3.28Å; T771-E776 WeakPolarHBondContact CA-O 3.45Å; T772-E776 HydrophobicContact CG2-CB 4.13Å; T772-E776 PolarHBondContact N-O 3.47Å; T772-E776 WeakPolarHBondContact OG1-CB 3.21Å; T772-E776 PolarHBondContact OG1-N 2.71Å; N774-E776 VanDerWaalsContact C-N 3.33Å; N774-E776 PolarHBondContact O-N 3.31Å; E776-M778 PolarHBondContact O-N 3.29Å | ||
| 777 | R | 64.7 | Low | 55.4 | Low | 165 Ų | 165 | 82 Ų | 82 | 62% | 0.623 | 47% | 0.469 | S | S | * | . | B | Isolated β-bridge | trans | -63.4 | 124.1 | 175.8 | -67.1 | -176.5 | 178.1 | 174.7 | -0.9 | 110.6 | T771 G775 K975 | T771-R777 HydrophobicContact CG2-CG 4.32Å; G775-R777 PolarHBondContact O-N 3.42Å; R777-K975 PolarHBondContact O-NZ 3.44Å |
| 778 | M | 72.7 | Confident | 56.1 | Low | 29 Ų | 29 | 79.5 Ų | 79.5 | 14% | 0.143 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -64.5 | -42.1 | -178.9 | -69.1 | 173.1 | 179.2 | 0 | 0 | 111.9 | G769 L770 E776 F890 K975 | G769-M778 WeakPolarHBondContact O-CE 3.24Å; L770-M778 WeakPolarHBondContact O-CB 3.43Å; L770-M778 WeakPolarHBondContact O-CG 3.41Å; L770-M778 PolarHBondContact O-N 3.24Å; E776-M778 PolarHBondContact O-N 3.29Å; M778-F890 HydrophobicContact CB-CD1 3.77Å; M778-F890 HydrophobicContact CB-CE1 3.77Å; M778-F890 HydrophobicContact CB-CG 4.22Å; M778-F890 HydrophobicContact CB-CZ 4.26Å; M778-F890 HydrophobicContact CE-CE1 4.43Å; M778-F890 HydrophobicContact CE-CE2 4.42Å; M778-F890 HydrophobicContact CE-CZ 3.79Å; M778-F890 HydrophobicContact CG-CD1 4.18Å; M778-F890 HydrophobicContact CG-CD2 4.47Å; M778-F890 HydrophobicContact CG-CE1 3.76Å; M778-F890 HydrophobicContact CG-CE2 4.11Å; M778-F890 HydrophobicContact CG-CZ 3.74Å; M778-F890 HydrophobicContact SD-CD1 4.31Å; M778-F890 HydrophobicContact SD-CE1 3.37Å; M778-F890 WeakPolarHBondContact SD-CE1 3.31Å; M778-F890 HydrophobicContact SD-CE2 4.21Å; M778-F890 HydrophobicContact SD-CZ 3.32Å; M778-F890 WeakPolarHBondContact SD-CZ 3.24Å; M778-K975 WeakPolarHBondContact O-CE 3.32Å; M778-K975 PolarHBondContact O-NZ 3.07Å |
| 779 | Y | 81.2 | Confident | 57.1 | Low | 31 Ų | 31 | 76.9 Ų | 76.9 | 12% | 0.122 | 43% | 0.426 | C | S | . | . | trans | -118.5 | 131.9 | 169.8 | -41.8 | -82.6 | 0 | 0 | 0 | 107.6 | L770 F858 L888 T889 F890 E891 | L770-Y779 HydrophobicContact CD2-CD2 3.73Å; L770-Y779 HydrophobicContact CD2-CE2 4.05Å; Y779-F858 HydrophobicContact CD1-CD2 4.38Å; Y779-F858 HydrophobicContact CD1-CE2 4.31Å; Y779-L888 HydrophobicContact CD1-CD2 4.16Å; Y779-L888 HydrophobicContact CD1-CG 4.46Å; Y779-L888 HydrophobicContact CE1-CB 4.4Å; Y779-L888 HydrophobicContact CE1-CD2 3.81Å; Y779-L888 HydrophobicContact CE1-CG 3.71Å; Y779-L888 PolarHBondContact OH-O 3.31Å; Y779-T889 WeakPolarHBondContact CE1-O 3.26Å; Y779-F890 HydrophobicContact CE1-CD1 4.04Å; Y779-F890 HydrophobicContact CE2-CD1 4.3Å; Y779-F890 HydrophobicContact CE2-CE1 4.49Å; Y779-F890 AromaticContact CZ-CD1 3.71Å; Y779-E891 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 780 | C | 76.5 | Confident | 58.1 | Low | 37 Ų | 37 | 79.5 Ų | 79.5 | 25% | 0.25 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -124.4 | -16.5 | -174.9 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | E891 C974 | C780-E891 PolarHBondContact N-OE1 3.24Å; C780-C974 VanDerWaalsContact CA-SG 3.53Å; C780-C974 HydrophobicContact CB-CB 3.64Å; C780-C974 WeakPolarHBondContact CB-SG 3.48Å; C780-C974 WeakPolarHBondContact SG-CB 3.32Å; C780-C974 PolarHBondContact SG-O 2.89Å; C780-C974 CovalentContact SG-SG 2.04Å; C780-C974 PolarHBondContact SG-SG 2.85Å |
| 781 | S | 73.2 | Confident | 58.9 | Low | 10 Ų | 10 | 81.8 Ų | 81.8 | 7% | 0.07 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -81.1 | -31.2 | 171.4 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | K783 E891 C974 | S781-K783 PolarHBondContact O-N 3.17Å; S781-E891 VanDerWaalsContact CB-OE2 3.22Å; S781-E891 WeakPolarHBondContact CB-OE2 3.33Å; S781-E891 PolarHBondContact N-OE1 3.28Å; S781-E891 PolarHBondContact OG-OE1 3.47Å; S781-E891 PolarHBondContact OG-OE2 2.89Å; S781-C974 PolarHBondContact N-SG 2.95Å |
| 782 | I | 70.1 | Confident | 59.6 | Low | 30 Ų | 30 | 79.8 Ų | 79.8 | 15% | 0.154 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -84.1 | 96.4 | 172.9 | -52.7 | 177.2 | 0 | 0 | 0 | 108.1 | I756 L788 F858 L888 | I756-I782 HydrophobicContact CD1-CD1 4.25Å; I782-L788 HydrophobicContact CG2-CD1 3.97Å; I782-F858 HydrophobicContact CD1-CE2 4.02Å; I782-F858 HydrophobicContact CD1-CZ 4.19Å; I782-F858 HydrophobicContact CG1-CE2 4.49Å; I782-F858 HydrophobicContact CG1-CZ 4.38Å; I782-L888 HydrophobicContact CD1-CD2 4.27Å |
| 783 | K | 59.5 | Low | 60.6 | Low | 116 Ų | 116 | 80.7 Ų | 80.7 | 50% | 0.504 | 44% | 0.438 | S | S | . | . | trans | -67.8 | 141.2 | 174.5 | -70.9 | 179.5 | -179.2 | 171.3 | 0 | 110.3 | S781 T785 | S781-K783 PolarHBondContact O-N 3.17Å; K783-T785 PolarHBondContact O-N 3.48Å; K783-T785 VanDerWaalsContact O-N 3.1Å | ||
| 784 | S | 49 | Very low | 62 | Low | 82 Ų | 82 | 76.2 Ų | 76.2 | 57% | 0.573 | 42% | 0.419 | S | S | * | . | trans | -80.9 | 23.9 | -179.9 | 69.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 785 | T | 42.5 | Very low | 63.7 | Low | 72 Ų | 72 | 71 Ų | 71 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -79 | 144.2 | 176.6 | 43.1 | 0 | 0 | 0 | 0 | 110.1 | K783 S787 | K783-T785 PolarHBondContact O-N 3.48Å; K783-T785 VanDerWaalsContact O-N 3.1Å; T785-S787 CarbonylContact C-O 3.51Å; T785-S787 WeakPolarHBondContact CB-O 3.47Å; T785-S787 CarbonylContact O-C 3.49Å; T785-S787 PolarHBondContact O-N 3.07Å; T785-S787 VanDerWaalsContact O-N 3.14Å; T785-S787 PolarHBondContact OG1-O 3.13Å |
| 786 | T | 47.3 | Very low | 65.1 | Low | 162 Ų | 162 | 68.8 Ų | 68.8 | 99% | 0.994 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -62.2 | -20.6 | -175.3 | 41.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 787 | S | 49 | Very low | 66.2 | Low | 83 Ų | 83 | 67 Ų | 67 | 58% | 0.58 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -101.3 | 125.6 | 152.1 | 59.3 | 0 | 0 | 0 | 0 | 109.6 | T785 D789 | T785-S787 CarbonylContact C-O 3.51Å; T785-S787 WeakPolarHBondContact CB-O 3.47Å; T785-S787 CarbonylContact O-C 3.49Å; T785-S787 PolarHBondContact O-N 3.07Å; T785-S787 VanDerWaalsContact O-N 3.14Å; T785-S787 PolarHBondContact OG1-O 3.13Å; S787-D789 PolarHBondContact O-N 3.14Å |
| 788 | L | 53.9 | Low | 67 | Low | 26 Ų | 26 | 61.5 Ų | 61.5 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 121.7 | 154.8 | -165.6 | 73.3 | 0 | 0 | 0 | 106.5 | I782 S790 L793 L796 | I782-L788 HydrophobicContact CG2-CD1 3.97Å; L788-S790 PolarHBondContact O-N 3.23Å; L788-L793 HydrophobicContact CD2-CB 4.12Å; L788-L793 HydrophobicContact CD2-CD1 3.99Å; L788-L796 HydrophobicContact CD2-CD1 4.13Å |
| 789 | D | 61.5 | Low | 67.4 | Low | 66 Ų | 66 | 60.2 Ų | 60.2 | 35% | 0.353 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 128.2 | 177.7 | 177.6 | -11.7 | 0 | 0 | 0 | 109.5 | S787 H791 S792 L793 | S787-D789 PolarHBondContact O-N 3.14Å; D789-H791 PolarHBondContact O-N 3.36Å; D789-H791 VanDerWaalsContact O-N 3.14Å; D789-H791 WeakPolarHBondContact OD1-CB 3.24Å; D789-H791 PolarHBondContact OD1-N 2.92Å; D789-S792 CarbonylContact O-C 3.47Å; D789-S792 WeakPolarHBondContact O-CA 3.34Å; D789-S792 WeakPolarHBondContact O-CB 3.42Å; D789-S792 PolarHBondContact O-N 2.95Å; D789-L793 PolarHBondContact O-N 2.83Å |
| 790 | S | 62.1 | Low | 67.5 | Low | 97 Ų | 97 | 60 Ų | 60 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.9 | -30.2 | -177.8 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | L788 F794 | L788-S790 PolarHBondContact O-N 3.23Å; S790-F794 VanDerWaalsContact O-CB 3.3Å; S790-F794 WeakPolarHBondContact O-CB 3.42Å; S790-F794 PolarHBondContact O-N 2.74Å |
| 791 | H | 68.9 | Low | 67.8 | Low | 93 Ų | 93 | 61.4 Ų | 61.4 | 43% | 0.431 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | 172.3 | -174.3 | -128.3 | 0 | 0 | 0 | 112.2 | D789 R795 Y949 | D789-H791 PolarHBondContact O-N 3.36Å; D789-H791 VanDerWaalsContact O-N 3.14Å; D789-H791 WeakPolarHBondContact OD1-CB 3.24Å; D789-H791 PolarHBondContact OD1-N 2.92Å; H791-R795 WeakPolarHBondContact O-CB 3.49Å; H791-R795 WeakPolarHBondContact O-CG 3.29Å; H791-R795 PolarHBondContact O-N 2.79Å; H791-Y949 PolarHBondContact CE1-OH 2.88Å; H791-Y949 VanDerWaalsContact CE1-OH 3.32Å; H791-Y949 PolarHBondContact NE2-OH 2.76Å |
| 792 | S | 66.3 | Low | 68.1 | Low | 13 Ų | 13 | 65.1 Ų | 65.1 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.7 | -38.5 | 173.2 | -77.1 | 0 | 0 | 0 | 0 | 112.8 | D789 R795 L796 | D789-S792 CarbonylContact O-C 3.47Å; D789-S792 WeakPolarHBondContact O-CA 3.34Å; D789-S792 WeakPolarHBondContact O-CB 3.42Å; D789-S792 PolarHBondContact O-N 2.95Å; S792-R795 PolarHBondContact O-N 2.7Å; S792-L796 WeakPolarHBondContact O-CG 3.28Å; S792-L796 PolarHBondContact O-N 2.99Å; S792-L796 VanDerWaalsContact O-N 3.1Å |
| 793 | L | 72.1 | Confident | 68.6 | Low | 57 Ų | 57 | 64.6 Ų | 64.6 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -52.6 | 174.7 | -176.9 | 67 | 0 | 0 | 0 | 110.5 | M753 L788 D789 R795 L796 E797 | M753-L793 HydrophobicContact CE-CD1 3.73Å; L788-L793 HydrophobicContact CD2-CB 4.12Å; L788-L793 HydrophobicContact CD2-CD1 3.99Å; D789-L793 PolarHBondContact O-N 2.83Å; L793-R795 PolarHBondContact O-N 3.48Å; L793-L796 WeakPolarHBondContact O-CB 3.35Å; L793-L796 PolarHBondContact O-N 2.74Å; L793-E797 WeakPolarHBondContact O-CG 3.36Å; L793-E797 PolarHBondContact O-N 3.05Å |
| 794 | F | 76.8 | Confident | 69.5 | Low | 123 Ų | 123 | 62.9 Ų | 62.9 | 54% | 0.539 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.7 | -36.2 | 176.6 | -178.9 | -103.6 | 0 | 0 | 0 | 112.6 | S790 E797 T798 | S790-F794 VanDerWaalsContact O-CB 3.3Å; S790-F794 WeakPolarHBondContact O-CB 3.42Å; S790-F794 PolarHBondContact O-N 2.74Å; F794-E797 PolarHBondContact O-N 3.14Å; F794-T798 HydrophobicContact CD1-CG2 4.3Å; F794-T798 HydrophobicContact CD2-CG2 4.42Å; F794-T798 HydrophobicContact CE1-CG2 3.91Å; F794-T798 HydrophobicContact CE2-CG2 4.04Å; F794-T798 HydrophobicContact CZ-CG2 3.76Å; F794-T798 WeakPolarHBondContact O-CB 3.21Å; F794-T798 WeakPolarHBondContact O-CG2 3.22Å; F794-T798 PolarHBondContact O-N 2.81Å; F794-T798 PolarHBondContact O-OG1 3.45Å |
| 795 | R | 80.5 | Confident | 71 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 13% | 0.125 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70 | -30.8 | 175.1 | -74.3 | 176.7 | 73.4 | -157.8 | 3.4 | 113.9 | H791 S792 L793 T798 M799 L926 L927 Y949 | H791-R795 WeakPolarHBondContact O-CB 3.49Å; H791-R795 WeakPolarHBondContact O-CG 3.29Å; H791-R795 PolarHBondContact O-N 2.79Å; S792-R795 PolarHBondContact O-N 2.7Å; L793-R795 PolarHBondContact O-N 3.48Å; R795-T798 WeakPolarHBondContact CA-OG1 3.4Å; R795-T798 PolarHBondContact O-OG1 3.28Å; R795-M799 VanDerWaalsContact O-CB 3.24Å; R795-M799 WeakPolarHBondContact O-CB 3.45Å; R795-M799 PolarHBondContact O-N 2.87Å; R795-M799 VanDerWaalsContact O-N 3.15Å; R795-L926 HydrophobicContact CB-CD1 4.06Å; R795-L926 HydrophobicContact CB-CD2 4.33Å; R795-L927 PolarHBondContact NH2-O 3.19Å; R795-Y949 VanDerWaalsContact CZ-CE1 3.41Å; R795-Y949 PolarHBondContact NE-OH 3.11Å; R795-Y949 VanDerWaalsContact NH2-CD1 3.3Å; R795-Y949 VanDerWaalsContact NH2-CE1 3.35Å |
| 796 | L | 82 | Confident | 72.4 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.3 | -40.8 | 172.3 | -69.7 | 165 | 0 | 0 | 0 | 111.6 | L752 M753 I756 L788 S792 L793 M799 Q800 F858 L926 | L752-L796 HydrophobicContact CD2-CD2 4.25Å; M753-L796 HydrophobicContact SD-CB 4.45Å; I756-L796 HydrophobicContact CD1-CD1 4.12Å; L788-L796 HydrophobicContact CD2-CD1 4.13Å; S792-L796 WeakPolarHBondContact O-CG 3.28Å; S792-L796 PolarHBondContact O-N 2.99Å; S792-L796 VanDerWaalsContact O-N 3.1Å; L793-L796 WeakPolarHBondContact O-CB 3.35Å; L793-L796 PolarHBondContact O-N 2.74Å; L796-M799 PolarHBondContact O-N 2.76Å; L796-Q800 PolarHBondContact O-N 2.92Å; L796-F858 HydrophobicContact CD2-CE1 3.75Å; L796-F858 HydrophobicContact CD2-CZ 3.76Å; L796-L926 HydrophobicContact CD2-CD1 4.09Å; L796-L926 HydrophobicContact CD2-CD2 3.94Å; L796-L926 HydrophobicContact CD2-CG 3.91Å; L796-L926 HydrophobicContact CG-CD1 4.17Å; L796-L926 HydrophobicContact CG-CD2 4.45Å; L796-L926 HydrophobicContact CG-CG 4.5Å |
| 797 | E | 81 | Confident | 73.7 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 37% | 0.369 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 178.2 | -69.8 | 175.2 | 165.1 | 0 | 0 | 112.1 | M753 L793 F794 Q800 T801 | M753-E797 HydrophobicContact CE-CG 3.94Å; M753-E797 HydrophobicContact SD-CG 4.26Å; L793-E797 WeakPolarHBondContact O-CG 3.36Å; L793-E797 PolarHBondContact O-N 3.05Å; F794-E797 PolarHBondContact O-N 3.14Å; E797-Q800 PolarHBondContact O-N 2.78Å; E797-T801 WeakPolarHBondContact O-CB 3.41Å; E797-T801 PolarHBondContact O-N 3.43Å; E797-T801 PolarHBondContact O-OG1 3.4Å |
| 798 | T | 80.5 | Confident | 74.8 | Confident | 51 Ų | 51 | 58.7 Ų | 58.7 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 173.4 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | F794 R795 Q800 T801 L802 | F794-T798 HydrophobicContact CD1-CG2 4.3Å; F794-T798 HydrophobicContact CD2-CG2 4.42Å; F794-T798 HydrophobicContact CE1-CG2 3.91Å; F794-T798 HydrophobicContact CE2-CG2 4.04Å; F794-T798 HydrophobicContact CZ-CG2 3.76Å; F794-T798 WeakPolarHBondContact O-CB 3.21Å; F794-T798 WeakPolarHBondContact O-CG2 3.22Å; F794-T798 PolarHBondContact O-N 2.81Å; F794-T798 PolarHBondContact O-OG1 3.45Å; R795-T798 WeakPolarHBondContact CA-OG1 3.4Å; R795-T798 PolarHBondContact O-OG1 3.28Å; T798-Q800 PolarHBondContact O-N 3.17Å; T798-T801 PolarHBondContact O-N 2.87Å; T798-L802 WeakPolarHBondContact O-CB 3.2Å; T798-L802 VanDerWaalsContact O-CG 3.29Å; T798-L802 WeakPolarHBondContact O-CG 3.25Å; T798-L802 PolarHBondContact O-N 2.91Å |
| 799 | M | 82.6 | Confident | 75.5 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 173.3 | -170.8 | -166.5 | 72.2 | 0 | 0 | 111.7 | L752 R795 L796 L802 Q803 F858 V920 W923 L926 | L752-M799 HydrophobicContact CD2-CE 3.34Å; R795-M799 VanDerWaalsContact O-CB 3.24Å; R795-M799 WeakPolarHBondContact O-CB 3.45Å; R795-M799 PolarHBondContact O-N 2.87Å; R795-M799 VanDerWaalsContact O-N 3.15Å; L796-M799 PolarHBondContact O-N 2.76Å; M799-L802 PolarHBondContact O-N 3.23Å; M799-Q803 WeakPolarHBondContact O-CG 3.26Å; M799-Q803 PolarHBondContact O-N 3.42Å; M799-F858 HydrophobicContact CE-CD1 3.95Å; M799-F858 HydrophobicContact CE-CE1 3.88Å; M799-V920 HydrophobicContact CB-CG1 4.43Å; M799-V920 HydrophobicContact CG-CG1 3.44Å; M799-V920 VanDerWaalsContact CG-CG1 3.44Å; M799-W923 HydrophobicContact CB-CZ3 4.4Å; M799-W923 HydrophobicContact CG-CE3 3.87Å; M799-W923 HydrophobicContact CG-CZ3 3.97Å; M799-W923 HydrophobicContact SD-CE3 4.01Å; M799-L926 HydrophobicContact CB-CD2 4.29Å; M799-L926 HydrophobicContact SD-CD2 3.91Å |
| 800 | Q | 81.8 | Confident | 75.6 | Confident | 26 Ų | 26 | 65.6 Ų | 65.6 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.9 | -168.9 | -166.9 | -93.9 | 0 | 0 | 111.4 | P751 L752 M753 L796 E797 T798 L802 Q803 Q804 | P751-Q800 VanDerWaalsContact C-OE1 3.32Å; L752-Q800 HydrophobicContact CB-CG 4.49Å; M753-Q800 VanDerWaalsContact CG-OE1 3.31Å; L796-Q800 PolarHBondContact O-N 2.92Å; E797-Q800 PolarHBondContact O-N 2.78Å; T798-Q800 PolarHBondContact O-N 3.17Å; Q800-L802 VanDerWaalsContact C-N 3.31Å; Q800-L802 PolarHBondContact O-N 2.98Å; Q800-Q803 PolarHBondContact O-N 3.32Å; Q800-Q804 HydrophobicContact CG-CG 4.38Å; Q800-Q804 WeakPolarHBondContact O-CG 3.33Å; Q800-Q804 PolarHBondContact O-N 3.14Å |
| 801 | T | 82.3 | Confident | 75.7 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 179.1 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | E797 T798 Q804 N805 | E797-T801 WeakPolarHBondContact O-CB 3.41Å; E797-T801 PolarHBondContact O-N 3.43Å; E797-T801 PolarHBondContact O-OG1 3.4Å; T798-T801 PolarHBondContact O-N 2.87Å; T801-Q804 PolarHBondContact O-N 2.93Å; T801-N805 WeakPolarHBondContact O-CB 3.34Å; T801-N805 PolarHBondContact O-N 2.82Å; T801-N805 PolarHBondContact O-ND2 3.09Å |
| 802 | L | 81.3 | Confident | 75.1 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 174.8 | -68.8 | 168.9 | 0 | 0 | 0 | 112.4 | T798 M799 Q800 N805 F806 V920 | T798-L802 WeakPolarHBondContact O-CB 3.2Å; T798-L802 VanDerWaalsContact O-CG 3.29Å; T798-L802 WeakPolarHBondContact O-CG 3.25Å; T798-L802 PolarHBondContact O-N 2.91Å; M799-L802 PolarHBondContact O-N 3.23Å; Q800-L802 VanDerWaalsContact C-N 3.31Å; Q800-L802 PolarHBondContact O-N 2.98Å; L802-N805 PolarHBondContact O-N 2.79Å; L802-F806 WeakPolarHBondContact O-CB 2.98Å; L802-F806 PolarHBondContact O-N 2.79Å; L802-V920 HydrophobicContact CB-CB 4.33Å; L802-V920 HydrophobicContact CB-CG1 4.29Å; L802-V920 HydrophobicContact CB-CG2 3.85Å; L802-V920 HydrophobicContact CD1-CG2 4.14Å |
| 803 | Q | 80.7 | Confident | 74.6 | Confident | 20 Ų | 20 | 74 Ų | 74 | 9% | 0.093 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 174 | -73.9 | 172.7 | -13.6 | 0 | 0 | 112.1 | M799 Q800 F806 K807 V920 | M799-Q803 WeakPolarHBondContact O-CG 3.26Å; M799-Q803 PolarHBondContact O-N 3.42Å; Q800-Q803 PolarHBondContact O-N 3.32Å; Q803-F806 PolarHBondContact O-N 2.92Å; Q803-K807 PolarHBondContact O-N 2.73Å; Q803-V920 HydrophobicContact CG-CB 4.12Å; Q803-V920 HydrophobicContact CG-CG1 3.77Å; Q803-V920 PolarHBondContact NE2-O 3.34Å |
| 804 | Q | 78.4 | Confident | 73.5 | Confident | 79 Ų | 79 | 79.8 Ų | 79.8 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.9 | -70.3 | 178.6 | -75.8 | 0 | 0 | 111.4 | Q800 T801 F806 K807 N808 | Q800-Q804 HydrophobicContact CG-CG 4.38Å; Q800-Q804 WeakPolarHBondContact O-CG 3.33Å; Q800-Q804 PolarHBondContact O-N 3.14Å; T801-Q804 PolarHBondContact O-N 2.93Å; Q804-F806 VanDerWaalsContact C-N 3.29Å; Q804-F806 PolarHBondContact O-N 3.03Å; Q804-K807 PolarHBondContact O-N 2.88Å; Q804-N808 VanDerWaalsContact O-CB 3.29Å; Q804-N808 WeakPolarHBondContact O-CB 3.13Å; Q804-N808 PolarHBondContact O-N 2.8Å; Q804-N808 PolarHBondContact O-ND2 2.91Å; Q804-N808 PolarHBondContact O-OD1 2.68Å |
| 805 | N | 78.6 | Confident | 71.7 | Confident | 93 Ų | 93 | 80 Ų | 80 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 174.6 | -72.3 | -16.7 | 0 | 0 | 0 | 112.3 | T801 L802 K809 | T801-N805 WeakPolarHBondContact O-CB 3.34Å; T801-N805 PolarHBondContact O-N 2.82Å; T801-N805 PolarHBondContact O-ND2 3.09Å; L802-N805 PolarHBondContact O-N 2.79Å; N805-K809 WeakPolarHBondContact O-CB 3.28Å; N805-K809 PolarHBondContact O-N 3.45Å |
| 806 | F | 73.8 | Confident | 69.6 | Low | 75 Ų | 75 | 86.5 Ų | 86.5 | 33% | 0.329 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.5 | -47.5 | 175 | -165.4 | -87.2 | 0 | 0 | 0 | 112 | L802 Q803 Q804 K809 Q810 P919 I921 | L802-F806 WeakPolarHBondContact O-CB 2.98Å; L802-F806 PolarHBondContact O-N 2.79Å; Q803-F806 PolarHBondContact O-N 2.92Å; Q804-F806 VanDerWaalsContact C-N 3.29Å; Q804-F806 PolarHBondContact O-N 3.03Å; F806-K809 PolarHBondContact O-N 2.86Å; F806-Q810 HydrophobicContact CD1-CG 4.45Å; F806-Q810 HydrophobicContact CE1-CG 4.26Å; F806-Q810 PolarHBondContact O-N 2.83Å; F806-Q810 VanDerWaalsContact O-N 3.14Å; F806-P919 HydrophobicContact CE2-CB 4.48Å; F806-I921 HydrophobicContact CD1-CD1 4.38Å; F806-I921 HydrophobicContact CD1-CG2 3.84Å; F806-I921 HydrophobicContact CE1-CD1 3.7Å; F806-I921 HydrophobicContact CE1-CG1 4.25Å; F806-I921 HydrophobicContact CE1-CG2 4.26Å; F806-I921 HydrophobicContact CG-CG2 4.44Å; F806-I921 HydrophobicContact CZ-CD1 4.16Å |
| 807 | K | 72.9 | Confident | 67.5 | Low | 65 Ų | 65 | 90.9 Ų | 90.9 | 28% | 0.283 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 176.4 | -167.3 | 176 | -178.2 | 176.6 | 0 | 111.3 | Q803 Q804 K809 Q810 E811 D820 | Q803-K807 PolarHBondContact O-N 2.73Å; Q804-K807 PolarHBondContact O-N 2.88Å; K807-K809 VanDerWaalsContact C-N 3.27Å; K807-K809 PolarHBondContact O-N 3.46Å; K807-Q810 PolarHBondContact O-N 2.83Å; K807-Q810 VanDerWaalsContact O-N 3.13Å; K807-E811 WeakPolarHBondContact CE-OE1 3.23Å; K807-E811 WeakPolarHBondContact O-CG 2.98Å; K807-E811 PolarHBondContact O-N 3.42Å; K807-D820 IonicContact NZ-OD1 3.67Å; K807-D820 PolarHBondContact NZ-OD1 3.25Å; K807-D820 IonicContact NZ-OD2 2.74Å; K807-D820 PolarHBondContact NZ-OD2 2.74Å |
| 808 | N | 73.5 | Confident | 65.6 | Low | 79 Ų | 79 | 93.3 Ų | 93.3 | 42% | 0.422 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.4 | -37.9 | 175.4 | -69 | -7.4 | 0 | 0 | 0 | 112.5 | Q804 E811 Q812 | Q804-N808 VanDerWaalsContact O-CB 3.29Å; Q804-N808 WeakPolarHBondContact O-CB 3.13Å; Q804-N808 PolarHBondContact O-N 2.8Å; Q804-N808 PolarHBondContact O-ND2 2.91Å; Q804-N808 PolarHBondContact O-OD1 2.68Å; N808-E811 PolarHBondContact O-N 3.13Å; N808-Q812 WeakPolarHBondContact O-CB 3.5Å; N808-Q812 WeakPolarHBondContact O-CG 3.42Å; N808-Q812 PolarHBondContact O-N 2.94Å |
| 809 | K | 68.6 | Low | 64.1 | Low | 132 Ų | 132 | 96 Ų | 96 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.8 | -41.7 | 177.2 | -168.9 | -177.4 | 176 | -169.4 | 0 | 111.7 | N805 F806 K807 Q812 E813 | N805-K809 WeakPolarHBondContact O-CB 3.28Å; N805-K809 PolarHBondContact O-N 3.45Å; F806-K809 PolarHBondContact O-N 2.86Å; K807-K809 VanDerWaalsContact C-N 3.27Å; K807-K809 PolarHBondContact O-N 3.46Å; K809-Q812 PolarHBondContact O-N 3.15Å; K809-E813 PolarHBondContact O-N 2.91Å |
| 810 | Q | 63.6 | Low | 62.8 | Low | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.2 | -67 | -174 | -49.7 | 0 | 0 | 112 | F806 K807 Q812 E813 F814 | F806-Q810 HydrophobicContact CD1-CG 4.45Å; F806-Q810 HydrophobicContact CE1-CG 4.26Å; F806-Q810 PolarHBondContact O-N 2.83Å; F806-Q810 VanDerWaalsContact O-N 3.14Å; K807-Q810 PolarHBondContact O-N 2.83Å; K807-Q810 VanDerWaalsContact O-N 3.13Å; Q810-Q812 VanDerWaalsContact C-N 3.35Å; Q810-Q812 PolarHBondContact O-N 2.86Å; Q810-E813 PolarHBondContact O-N 2.97Å; Q810-F814 PolarHBondContact O-N 2.78Å; Q810-F814 VanDerWaalsContact O-N 3.07Å |
| 811 | E | 62.6 | Low | 62.4 | Low | 96 Ų | 96 | 103.9 Ų | 103.9 | 45% | 0.449 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 175.4 | -71.9 | 178.1 | -166.6 | 0 | 0 | 112.7 | K807 N808 E813 F814 N815 | K807-E811 WeakPolarHBondContact CE-OE1 3.23Å; K807-E811 WeakPolarHBondContact O-CG 2.98Å; K807-E811 PolarHBondContact O-N 3.42Å; N808-E811 PolarHBondContact O-N 3.13Å; E811-E813 VanDerWaalsContact C-N 3.28Å; E811-E813 PolarHBondContact O-N 2.75Å; E811-F814 CarbonylContact O-C 3.26Å; E811-F814 PolarHBondContact O-N 2.75Å; E811-F814 VanDerWaalsContact O-N 3.15Å; E811-N815 PolarHBondContact O-N 3.48Å |
| 812 | Q | 56.9 | Low | 62.5 | Low | 142 Ų | 142 | 103.7 Ų | 103.7 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.1 | -24.2 | 172.7 | -77 | 179.1 | 1.9 | 0 | 0 | 113.5 | N808 K809 Q810 N815 | N808-Q812 WeakPolarHBondContact O-CB 3.5Å; N808-Q812 WeakPolarHBondContact O-CG 3.42Å; N808-Q812 PolarHBondContact O-N 2.94Å; K809-Q812 PolarHBondContact O-N 3.15Å; Q810-Q812 VanDerWaalsContact C-N 3.35Å; Q810-Q812 PolarHBondContact O-N 2.86Å; Q812-N815 PolarHBondContact O-ND2 2.81Å |
| 813 | E | 56.1 | Low | 62.8 | Low | 141 Ų | 141 | 102.9 Ų | 102.9 | 66% | 0.659 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -82 | -22.3 | 171 | -69.7 | 169.3 | -169.4 | 0 | 0 | 111.6 | K809 Q810 E811 | K809-E813 PolarHBondContact O-N 2.91Å; Q810-E813 PolarHBondContact O-N 2.97Å; E811-E813 VanDerWaalsContact C-N 3.28Å; E811-E813 PolarHBondContact O-N 2.75Å |
| 814 | F | 49.3 | Very low | 63.1 | Low | 180 Ų | 180 | 105.5 Ų | 105.5 | 79% | 0.789 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -116.1 | 59.9 | 179.2 | -99.5 | -90 | 0 | 0 | 0 | 113.7 | Q810 E811 | Q810-F814 PolarHBondContact O-N 2.78Å; Q810-F814 VanDerWaalsContact O-N 3.07Å; E811-F814 CarbonylContact O-C 3.26Å; E811-F814 PolarHBondContact O-N 2.75Å; E811-F814 VanDerWaalsContact O-N 3.15Å |
| 815 | N | 39.6 | Very low | 63.4 | Low | 126 Ų | 126 | 104.4 Ų | 104.4 | 67% | 0.674 | 55% | 0.554 | S | S | * | * | trans | -61.1 | 145.9 | -179.7 | -82.4 | -80 | 0 | 0 | 0 | 114.1 | E811 Q812 | E811-N815 PolarHBondContact O-N 3.48Å; Q812-N815 PolarHBondContact O-ND2 2.81Å | ||
| 816 | N | 35.4 | Very low | 63.9 | Low | 170 Ų | 170 | 103.8 Ų | 103.8 | 91% | 0.909 | 55% | 0.55 | S | S | * | * | trans | 76.1 | 49 | 176.6 | -61.9 | -21.1 | 0 | 0 | 0 | 117.8 | ||||
| 817 | A | 37.6 | Very low | 64.5 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 78% | 0.777 | 54% | 0.541 | S | S | * | . | trans | -117.5 | 129.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 818 | T | 42.6 | Very low | 65 | Low | 131 Ų | 131 | 104.1 Ų | 104.1 | 80% | 0.804 | 55% | 0.553 | S | S | * | * | trans | -85.1 | 119.6 | -176.7 | 50 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 819 | S | 48.1 | Very low | 65 | Low | 106 Ų | 106 | 102 Ų | 102 | 74% | 0.741 | 54% | 0.542 | S | S | * | . | S | Bend | trans | 47.3 | 96.3 | 162.6 | 63.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 820 | D | 54.8 | Low | 64.5 | Low | 90 Ų | 90 | 103.5 Ų | 103.5 | 48% | 0.481 | 55% | 0.551 | S | S | . | * | trans | 1.5 | 85.5 | 163.5 | -132.1 | 1.7 | 0 | 0 | 0 | 114.4 | K807 | K807-D820 IonicContact NZ-OD1 3.67Å; K807-D820 PolarHBondContact NZ-OD1 3.25Å; K807-D820 IonicContact NZ-OD2 2.74Å; K807-D820 PolarHBondContact NZ-OD2 2.74Å | ||
| 821 | P | 72.9 | Confident | 64.2 | Low | 103 Ų | 103 | 102.9 Ų | 102.9 | 67% | 0.669 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 140.6 | -168.3 | 27.8 | -34.5 | 0 | 0 | 0 | 111.8 | T823 | P821-T823 PolarHBondContact O-N 3.01Š|
| 822 | W | 85.4 | Confident | 63.5 | Low | 64 Ų | 64 | 106.4 Ų | 106.4 | 24% | 0.242 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -61.5 | 124.8 | 173.5 | -68.3 | 81.3 | 0 | 0 | 0 | 110.6 | Y746 H747 R748 V824 E862 K864 T884 | Y746-W822 HydrophobicContact CD1-CB 4.27Å; H747-W822 CarbonylContact O-C 3.2Å; H747-W822 WeakPolarHBondContact O-CA 3.2Å; R748-W822 HydrophobicContact CB-CD2 4.42Å; R748-W822 HydrophobicContact CB-CE3 4.29Å; R748-W822 HydrophobicContact CG-CD2 4.05Å; R748-W822 HydrophobicContact CG-CE3 3.9Å; R748-W822 HydrophobicContact CG-CH2 4.28Å; R748-W822 HydrophobicContact CG-CZ2 4.4Å; R748-W822 HydrophobicContact CG-CZ3 4.02Å; R748-W822 VanDerWaalsContact CZ-CZ2 3.49Å; R748-W822 VanDerWaalsContact NE-CZ2 3.32Å; W822-V824 WeakPolarHBondContact O-CG2 3.44Å; W822-E862 HydrophobicContact CH2-CG 4.05Å; W822-E862 WeakPolarHBondContact CZ3-O 3.35Å; W822-K864 HydrophobicContact CH2-CD 4.05Å; W822-K864 HydrophobicContact CH2-CG 4.04Å; W822-K864 HydrophobicContact CZ2-CD 4.37Å; W822-K864 HydrophobicContact CZ3-CD 4.38Å; W822-K864 HydrophobicContact CZ3-CG 3.91Å; W822-T884 HydrophobicContact CH2-CG2 4.23Å |
| 823 | T | 86.6 | Confident | 63.2 | Low | 71 Ų | 71 | 107.1 Ų | 107.1 | 44% | 0.436 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77 | 140.2 | 170 | 48.5 | 0 | 0 | 0 | 0 | 109.6 | Y746 H747 P821 | Y746-T823 CarbonylContact C-O 3.52Å; Y746-T823 WeakPolarHBondContact CA-O 3.38Å; H747-T823 PolarHBondContact CD2-O 3.07Å; H747-T823 PolarHBondContact CD2-OG1 2.97Å; H747-T823 PolarHBondContact CE1-OG1 2.94Å; H747-T823 VanDerWaalsContact CG-OG1 3.3Å; H747-T823 PolarHBondContact N-O 2.79Å; H747-T823 PolarHBondContact ND1-OG1 2.81Å; H747-T823 PolarHBondContact NE2-OG1 3.2Å; H747-T823 PolarHBondContact O-N 3.32Å; H747-T823 PolarHBondContact O-OG1 3.28Å; H747-T823 VanDerWaalsContact O-OG1 3.07Å; P821-T823 PolarHBondContact O-N 3.01Å |
| 824 | V | 87.1 | Confident | 62.7 | Low | 74 Ų | 74 | 105.1 Ų | 105.1 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.6 | -168.4 | -164.7 | 0 | 0 | 0 | 0 | 110.6 | F744 V745 Y746 W822 | F744-V824 HydrophobicContact CB-CG1 3.75Å; F744-V824 HydrophobicContact CD1-CG1 4.04Å; F744-V824 HydrophobicContact CG-CG1 4.07Å; V745-V824 WeakPolarHBondContact O-CA 3.3Å; Y746-V824 HydrophobicContact CD1-CB 4.37Å; Y746-V824 HydrophobicContact CD1-CG1 4.05Å; Y746-V824 HydrophobicContact CD1-CG2 3.53Å; Y746-V824 HydrophobicContact CE1-CB 4.49Å; Y746-V824 HydrophobicContact CE1-CG1 3.91Å; Y746-V824 HydrophobicContact CE1-CG2 3.71Å; Y746-V824 HydrophobicContact CG-CG1 4.45Å; Y746-V824 HydrophobicContact CG-CG2 4.45Å; W822-V824 WeakPolarHBondContact O-CG2 3.44Å |
| 825 | I | 86.2 | Confident | 62.6 | Low | 57 Ų | 57 | 104.2 Ų | 104.2 | 29% | 0.292 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.5 | 174.2 | -54.4 | -164.2 | 0 | 0 | 0 | 109.7 | F744 V745 I827 L852 | F744-I825 WeakPolarHBondContact CA-O 3.28Å; V745-I825 PolarHBondContact N-O 2.7Å; V745-I825 PolarHBondContact O-N 2.72Å; I825-I827 HydrophobicContact CG2-CG1 4.45Å; I825-L852 HydrophobicContact CD1-CD2 3.63Å; I825-L852 HydrophobicContact CG1-CD2 4.26Å |
| 826 | D | 88.2 | Confident | 63 | Low | 80 Ų | 80 | 106.7 Ų | 106.7 | 43% | 0.428 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.9 | 173.8 | 176.7 | 7.2 | 0 | 0 | 0 | 110.5 | F744 Y868 | F744-D826 HydrophobicContact CD1-CB 4.22Å; F744-D826 HydrophobicContact CE1-CB 4.07Å; D826-Y868 WeakPolarHBondContact OD1-CE1 3.41Å; D826-Y868 VanDerWaalsContact OD1-CZ 3.28Å; D826-Y868 PolarHBondContact OD1-OH 2.76Å; D826-Y868 PolarHBondContact OD2-OH 3.07Å |
| 827 | I | 85.9 | Confident | 63.7 | Low | 27 Ų | 27 | 102 Ų | 102 | 14% | 0.138 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 100.5 | 175.9 | -64.7 | 134 | 0 | 0 | 0 | 108 | W728 G742 Y743 V745 I825 S850 | W728-I827 HydrophobicContact CH2-CD1 4.09Å; W728-I827 HydrophobicContact CH2-CG2 4.45Å; G742-I827 CarbonylContact C-O 3.51Å; G742-I827 WeakPolarHBondContact CA-O 3.38Å; Y743-I827 PolarHBondContact N-O 2.87Å; Y743-I827 PolarHBondContact O-N 2.84Å; V745-I827 HydrophobicContact CB-CD1 4.05Å; V745-I827 HydrophobicContact CG2-CD1 3.31Å; I825-I827 HydrophobicContact CG2-CG1 4.45Å; I827-S850 WeakPolarHBondContact CD1-OG 3.43Å; I827-S850 WeakPolarHBondContact CG1-OG 3.18Å |
| 828 | K | 83.9 | Confident | 64.2 | Low | 120 Ų | 120 | 102.5 Ų | 102.5 | 52% | 0.522 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 135.5 | 176 | -57.9 | 173.5 | -170.9 | 169.7 | 0 | 110.2 | D391 K741 Q830 | D391-K828 IonicContact OD1-NZ 2.68Å; D391-K828 PolarHBondContact OD1-NZ 3.18Å; K741-K828 WeakPolarHBondContact O-CA 3.38Å; K828-Q830 PolarHBondContact O-N 3.49Å |
| 829 | T | 74.6 | Confident | 64.4 | Low | 34 Ų | 34 | 104.4 Ų | 104.4 | 21% | 0.209 | 52% | 0.522 | C | S | . | . | trans | -63.8 | 130 | 174.3 | 44.1 | 0 | 0 | 0 | 0 | 110.9 | V740 K741 Y743 Y831 | V740-T829 HydrophobicContact CB-CG2 4.32Å; V740-T829 HydrophobicContact CG1-CG2 3.72Å; V740-T829 PolarHBondContact O-OG1 3.34Å; K741-T829 WeakPolarHBondContact CA-OG1 3.26Å; K741-T829 PolarHBondContact O-N 3.03Å; K741-T829 PolarHBondContact O-OG1 2.89Å; K741-T829 VanDerWaalsContact O-OG1 3.08Å; Y743-T829 HydrophobicContact CD2-CG2 4.4Å; Y743-T829 HydrophobicContact CE2-CG2 3.59Å; T829-Y831 PolarHBondContact O-N 3.11Å | ||
| 830 | Q | 57.9 | Low | 64.6 | Low | 163 Ų | 163 | 102.8 Ų | 102.8 | 76% | 0.762 | 50% | 0.504 | S | S | * | . | trans | -84.9 | 19.4 | 170.4 | -68.9 | -173.1 | -30.2 | 0 | 0 | 113.3 | K828 Q832 | K828-Q830 PolarHBondContact O-N 3.49Å; Q830-Q832 PolarHBondContact O-N 2.85Å | ||
| 831 | Y | 57 | Low | 64.8 | Low | 91 Ų | 91 | 106.5 Ų | 106.5 | 36% | 0.357 | 52% | 0.518 | S | S | . | . | trans | -70.3 | 91.7 | -173.3 | -159.5 | -89.4 | 0 | 0 | 0 | 112 | T829 I846 | T829-Y831 PolarHBondContact O-N 3.11Å; Y831-I846 HydrophobicContact CD2-CD1 3.83Å; Y831-I846 HydrophobicContact CE2-CD1 3.48Å; Y831-I846 VanDerWaalsContact CE2-CD1 3.48Å | ||
| 832 | Q | 48.4 | Very low | 64.6 | Low | 171 Ų | 171 | 107.5 Ų | 107.5 | 80% | 0.799 | 52% | 0.518 | S | S | * | . | trans | -61.8 | 135.4 | 165.4 | -69 | -171.5 | -26.5 | 0 | 0 | 108.8 | Q830 D834 | Q830-Q832 PolarHBondContact O-N 2.85Å; Q832-D834 PolarHBondContact O-N 2.8Å | ||
| 833 | K | 50.2 | Low | 64.1 | Low | 157 Ų | 157 | 107.3 Ų | 107.3 | 68% | 0.683 | 53% | 0.53 | S | S | * | . | trans | -73.8 | 69.3 | -178.5 | -164.5 | 177.9 | -177.4 | -176.5 | 0 | 109.9 | E694 R835 | E694-K833 IonicContact OE1-NZ 3.53Å; E694-K833 PolarHBondContact OE1-NZ 2.84Å; E694-K833 VanDerWaalsContact OE1-NZ 3.17Å; K833-R835 PolarHBondContact O-N 2.95Å | ||
| 834 | D | 45.4 | Very low | 63.7 | Low | 99 Ų | 99 | 105.8 Ų | 105.8 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | trans | -66.2 | 123.3 | -170 | -164.7 | 3.7 | 0 | 0 | 0 | 110.9 | Q832 K836 F837 | Q832-D834 PolarHBondContact O-N 2.8Å; D834-K836 PolarHBondContact O-N 3.23Å; D834-F837 PolarHBondContact O-N 3.05Å | ||
| 835 | R | 46.7 | Very low | 63.5 | Low | 160 Ų | 160 | 105.9 Ų | 105.9 | 60% | 0.604 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -0.9 | -163.2 | -84.6 | -178.6 | 163.7 | -157 | -8.2 | 114.4 | K833 S838 | K833-R835 PolarHBondContact O-N 2.95Å; R835-S838 PolarHBondContact O-OG 3.2Å |
| 836 | K | 47.8 | Very low | 63.3 | Low | 179 Ų | 179 | 104.6 Ų | 104.6 | 78% | 0.778 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -12.7 | 177.3 | -68.8 | -177.6 | 175.4 | 179.6 | 0 | 114.5 | D834 | D834-K836 PolarHBondContact O-N 3.23Š|
| 837 | F | 50.8 | Low | 63.2 | Low | 71 Ų | 71 | 107.4 Ų | 107.4 | 31% | 0.311 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -83.9 | -3.7 | -179.1 | -87.7 | -80 | 0 | 0 | 0 | 114.9 | D834 E839 I840 L844 | D834-F837 PolarHBondContact O-N 3.05Å; F837-E839 PolarHBondContact O-N 2.91Å; F837-I840 HydrophobicContact CD1-CD1 3.87Å; F837-I840 HydrophobicContact CE1-CD1 4.02Å; F837-I840 PolarHBondContact O-N 3.34Å; F837-L844 HydrophobicContact CD1-CD2 3.93Å; F837-L844 HydrophobicContact CE1-CD1 3.93Å; F837-L844 HydrophobicContact CE1-CD2 3.54Å; F837-L844 HydrophobicContact CE1-CG 4.38Å; F837-L844 HydrophobicContact CZ-CD2 4.14Å |
| 838 | S | 47.5 | Very low | 63.1 | Low | 104 Ų | 104 | 107.8 Ų | 107.8 | 73% | 0.727 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -69.7 | -10.6 | -174.1 | 46.7 | 0 | 0 | 0 | 0 | 115.8 | R835 | R835-S838 PolarHBondContact O-OG 3.2Š|
| 839 | E | 47.9 | Very low | 63.3 | Low | 172 Ų | 172 | 106.3 Ų | 106.3 | 80% | 0.804 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -101.5 | -2.6 | -178.6 | -61.9 | -177.7 | 164.9 | 0 | 0 | 113.3 | F837 | F837-E839 PolarHBondContact O-N 2.91Š|
| 840 | I | 52 | Low | 63.8 | Low | 72 Ų | 72 | 106 Ų | 106 | 37% | 0.369 | 53% | 0.525 | S | S | . | . | trans | -99.2 | 101 | -172.6 | -58.4 | 179.1 | 0 | 0 | 0 | 110.5 | P734 F837 N842 | P734-I840 WeakPolarHBondContact CG-O 3.38Å; F837-I840 HydrophobicContact CD1-CD1 3.87Å; F837-I840 HydrophobicContact CE1-CD1 4.02Å; F837-I840 PolarHBondContact O-N 3.34Å; I840-N842 VanDerWaalsContact C-N 3.28Å; I840-N842 HydrophobicContact CG2-CB 4.01Å | ||
| 841 | H | 57.4 | Low | 65.2 | Low | 168 Ų | 168 | 100.9 Ų | 100.9 | 78% | 0.778 | 50% | 0.503 | S | S | * | . | trans | -77 | -11.4 | 171.2 | -71.7 | -57.6 | 0 | 0 | 0 | 114.1 | ||||
| 842 | N | 69.3 | Low | 66.7 | Low | 124 Ų | 124 | 96.6 Ų | 96.6 | 66% | 0.663 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -74 | 152.5 | -179.5 | -64.2 | -21.3 | 0 | 0 | 0 | 111.6 | I840 L844 | I840-N842 VanDerWaalsContact C-N 3.28Å; I840-N842 HydrophobicContact CG2-CB 4.01Å; N842-L844 PolarHBondContact O-N 2.79Å |
| 843 | A | 75.4 | Confident | 68.6 | Low | 59 Ų | 59 | 94 Ų | 94 | 49% | 0.488 | 47% | 0.469 | S | S | . | . | trans | -63.8 | 132 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T731 E732 | T731-A843 HydrophobicContact CG2-CB 4.19Å; E732-A843 WeakPolarHBondContact O-CA 3.22Å | ||
| 844 | L | 78.3 | Confident | 70.2 | Confident | 39 Ų | 39 | 93 Ų | 93 | 20% | 0.204 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.4 | -179.6 | 177.3 | 66.7 | 0 | 0 | 0 | 109.3 | T731 E732 L737 F837 N842 I846 | T731-L844 WeakPolarHBondContact CA-O 3.48Å; E732-L844 PolarHBondContact N-O 2.83Å; E732-L844 PolarHBondContact O-N 2.69Å; L737-L844 HydrophobicContact CD1-CB 3.79Å; L737-L844 HydrophobicContact CD1-CD2 4.06Å; L737-L844 HydrophobicContact CD1-CG 4.24Å; F837-L844 HydrophobicContact CD1-CD2 3.93Å; F837-L844 HydrophobicContact CE1-CD1 3.93Å; F837-L844 HydrophobicContact CE1-CD2 3.54Å; F837-L844 HydrophobicContact CE1-CG 4.38Å; F837-L844 HydrophobicContact CZ-CD2 4.14Å; N842-L844 PolarHBondContact O-N 2.79Å; L844-I846 HydrophobicContact CD2-CD1 4.44Å; L844-I846 HydrophobicContact CD2-CG1 4.15Å; L844-I846 HydrophobicContact CG-CG1 4.2Å |
| 845 | T | 82.6 | Confident | 72.3 | Confident | 77 Ų | 77 | 88.4 Ų | 88.4 | 47% | 0.472 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 111 | 169.9 | -58.1 | 0 | 0 | 0 | 0 | 109.8 | I730 T731 | I730-T845 CarbonylContact O-C 3.52Å; I730-T845 VanDerWaalsContact O-CA 3.31Å; I730-T845 WeakPolarHBondContact O-CA 3.28Å; T731-T845 VanDerWaalsContact CG2-OG1 3.31Å; T731-T845 WeakPolarHBondContact CG2-OG1 3.37Å; T731-T845 WeakPolarHBondContact OG1-CB 3.47Å; T731-T845 WeakPolarHBondContact OG1-CG2 3.33Å; T731-T845 PolarHBondContact OG1-OG1 2.77Å |
| 846 | I | 82.2 | Confident | 74.4 | Confident | 29 Ų | 29 | 84.1 Ų | 84.1 | 15% | 0.149 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134.5 | 167.6 | -53.4 | -179.5 | 0 | 0 | 0 | 107.8 | S729 I730 L737 Y831 L844 E848 | S729-I846 VanDerWaalsContact CA-O 3.23Å; S729-I846 WeakPolarHBondContact CA-O 3.33Å; S729-I846 WeakPolarHBondContact CB-O 3.48Å; I730-I846 HydrophobicContact CG2-CB 3.85Å; I730-I846 PolarHBondContact N-O 3.4Å; I730-I846 PolarHBondContact O-N 2.9Å; L737-I846 HydrophobicContact CD1-CD1 3.98Å; L737-I846 HydrophobicContact CD1-CG1 4.28Å; L737-I846 HydrophobicContact CD2-CD1 4.1Å; L737-I846 HydrophobicContact CG-CD1 4.49Å; Y831-I846 HydrophobicContact CD2-CD1 3.83Å; Y831-I846 HydrophobicContact CE2-CD1 3.48Å; Y831-I846 VanDerWaalsContact CE2-CD1 3.48Å; L844-I846 HydrophobicContact CD2-CD1 4.44Å; L844-I846 HydrophobicContact CD2-CG1 4.15Å; L844-I846 HydrophobicContact CG-CG1 4.2Å; I846-E848 HydrophobicContact CG2-CG 3.97Å |
| 847 | Q | 86.4 | Confident | 76.4 | Confident | 140 Ų | 140 | 75.8 Ų | 75.8 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.9 | 166.8 | -64.1 | -170.2 | -3.6 | 0 | 0 | 109.2 | L714 W728 | L714-Q847 HydrophobicContact CD1-CG 4.23Å; W728-Q847 WeakPolarHBondContact O-CA 3.5Å |
| 848 | E | 84.4 | Confident | 78.3 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 16% | 0.164 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 154.9 | 176.3 | -70.8 | -167.1 | -130.5 | 0 | 0 | 110.9 | S727 W728 Y743 I846 | S727-E848 WeakPolarHBondContact CA-O 3.46Å; W728-E848 HydrophobicContact CD2-CB 4.5Å; W728-E848 HydrophobicContact CH2-CB 4.45Å; W728-E848 HydrophobicContact CZ2-CB 3.71Å; W728-E848 PolarHBondContact N-O 2.78Å; W728-E848 PolarHBondContact O-N 2.85Å; Y743-E848 WeakPolarHBondContact CE2-OE1 3.5Å; Y743-E848 WeakPolarHBondContact CE2-OE2 3.04Å; Y743-E848 VanDerWaalsContact CZ-OE1 3.25Å; Y743-E848 PolarHBondContact OH-OE1 2.94Å; I846-E848 HydrophobicContact CG2-CG 3.97Å |
| 849 | T | 86.7 | Confident | 80.4 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 55% | 0.546 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.6 | 179.8 | 76.8 | 0 | 0 | 0 | 0 | 111.1 | V726 | V726-T849 CarbonylContact O-C 3.52Å; V726-T849 WeakPolarHBondContact O-CA 3.27Å; V726-T849 WeakPolarHBondContact O-CB 2.99Å |
| 850 | S | 85.7 | Confident | 82.4 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 170 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | R725 V726 I827 | R725-S850 CarbonylContact C-O 3.43Å; R725-S850 WeakPolarHBondContact CA-O 3.08Å; V726-S850 PolarHBondContact N-O 3.32Å; V726-S850 PolarHBondContact O-N 2.94Å; I827-S850 WeakPolarHBondContact CD1-OG 3.43Å; I827-S850 WeakPolarHBondContact CG1-OG 3.18Å |
| 851 | L | 88 | Confident | 84.3 | Confident | 57 Ų | 57 | 57.4 Ų | 57.4 | 30% | 0.298 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 104.8 | -176.9 | -179.5 | 63.3 | 0 | 0 | 0 | 109.5 | L719 R723 R853 | L719-L851 HydrophobicContact CD1-CD1 3.87Å; R723-L851 HydrophobicContact CB-CD1 4.12Å; L851-R853 HydrophobicContact CD2-CG 4.42Å; L851-R853 HydrophobicContact CG-CG 4.19Å; L851-R853 PolarHBondContact O-N 3.24Å |
| 852 | L | 87.6 | Confident | 86 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 132.5 | 163.5 | -62.2 | -177.5 | 0 | 0 | 0 | 108.4 | R723 V724 V726 V745 H747 I825 L855 I863 | R723-L852 WeakPolarHBondContact CA-O 3.19Å; V724-L852 HydrophobicContact CB-CB 4.48Å; V724-L852 PolarHBondContact N-O 3.4Å; V724-L852 VanDerWaalsContact N-O 3.09Å; V724-L852 PolarHBondContact O-N 2.78Å; V726-L852 HydrophobicContact CG2-CD1 3.86Å; V726-L852 HydrophobicContact CG2-CG 3.71Å; V745-L852 HydrophobicContact CG1-CD2 3.94Å; H747-L852 HydrophobicContact CB-CD1 4.11Å; I825-L852 HydrophobicContact CD1-CD2 3.63Å; I825-L852 HydrophobicContact CG1-CD2 4.26Å; L852-L855 HydrophobicContact CB-CD1 4.12Å; L852-L855 HydrophobicContact CB-CG 4.48Å; L852-I863 HydrophobicContact CD1-CD1 3.44Å; L852-I863 VanDerWaalsContact CD1-CD1 3.44Å; L852-I863 HydrophobicContact CD1-CG1 4.05Å |
| 853 | R | 87.6 | Confident | 87.1 | Confident | 115 Ų | 115 | 44.6 Ų | 44.6 | 43% | 0.434 | 24% | 0.237 | S | C | . | . | trans | -116.9 | 170.4 | 178 | -57 | -179 | -173.7 | 178.2 | 3.9 | 108.9 | K722 L851 L855 | K722-R853 CarbonylContact O-C 3.57Å; L851-R853 HydrophobicContact CD2-CG 4.42Å; L851-R853 HydrophobicContact CG-CG 4.19Å; L851-R853 PolarHBondContact O-N 3.24Å; R853-L855 PolarHBondContact O-N 2.79Å | ||
| 854 | D | 84.7 | Confident | 87.9 | Confident | 136 Ų | 136 | 43 Ų | 43 | 73% | 0.727 | 22% | 0.219 | S | C | * | . | S | Bend | trans | 57.5 | 25.3 | 166.7 | -46.3 | -45.5 | 0 | 0 | 0 | 115.1 | K722 | K722-D854 PolarHBondContact O-N 2.77Å; K722-D854 VanDerWaalsContact O-N 3.09Å |
| 855 | L | 89.7 | Confident | 88.6 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 165 | 166.6 | -57.4 | 176.1 | 0 | 0 | 0 | 110.3 | K722 V724 L852 R853 Y861 T889 | K722-L855 WeakPolarHBondContact CA-O 3.48Å; K722-L855 VanDerWaalsContact CB-O 3.31Å; K722-L855 WeakPolarHBondContact CB-O 3.34Å; K722-L855 VanDerWaalsContact CD-O 3.29Å; K722-L855 WeakPolarHBondContact CD-O 3.31Å; K722-L855 WeakPolarHBondContact CE-O 3.33Å; K722-L855 WeakPolarHBondContact CG-O 3.46Å; K722-L855 PolarHBondContact NZ-O 2.65Å; K722-L855 PolarHBondContact O-N 3.36Å; V724-L855 HydrophobicContact CB-CD1 4.03Å; V724-L855 HydrophobicContact CG2-CD1 3.61Å; L852-L855 HydrophobicContact CB-CD1 4.12Å; L852-L855 HydrophobicContact CB-CG 4.48Å; R853-L855 PolarHBondContact O-N 2.79Å; L855-Y861 HydrophobicContact CB-CD2 4.41Å; L855-Y861 HydrophobicContact CB-CE2 3.76Å; L855-Y861 HydrophobicContact CD1-CD2 4.26Å; L855-Y861 HydrophobicContact CD1-CE2 4.42Å; L855-Y861 HydrophobicContact CD2-CD1 4.06Å; L855-Y861 HydrophobicContact CD2-CD2 4.23Å; L855-Y861 HydrophobicContact CD2-CE1 3.9Å; L855-Y861 HydrophobicContact CD2-CE2 4.04Å; L855-Y861 HydrophobicContact CD2-CG 4.24Å; L855-Y861 HydrophobicContact CG-CE2 4.28Å; L855-T889 HydrophobicContact CB-CG2 4.03Å; L855-T889 HydrophobicContact CD1-CG2 4.06Å |
| 856 | D | 91 | Very high | 89.1 | Confident | 71 Ų | 71 | 39 Ų | 39 | 38% | 0.38 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -95.9 | 153.5 | 174.2 | -76.5 | -45.6 | 0 | 0 | 0 | 113.4 | P721 K722 R859 Y861 T889 | P721-D856 CarbonylContact O-C 3.5Å; K722-D856 IonicContact NZ-OD1 3.25Å; K722-D856 PolarHBondContact NZ-OD1 3Å; D856-R859 HydrophobicContact CB-CG 3.86Å; D856-Y861 PolarHBondContact N-OH 3.45Å; D856-T889 WeakPolarHBondContact O-CB 3.4Å; D856-T889 PolarHBondContact O-OG1 2.9Å |
| 857 | A | 90.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 140.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P721 R859 N924 | P721-A857 HydrophobicContact CB-CB 3.74Å; P721-A857 VanDerWaalsContact O-CA 3.3Å; P721-A857 WeakPolarHBondContact O-CA 3.48Å; P721-A857 PolarHBondContact O-N 2.82Å; A857-R859 VanDerWaalsContact C-N 3.33Å; A857-R859 PolarHBondContact O-N 2.9Å; A857-R859 PolarHBondContact O-NH1 3.21Å; A857-N924 HydrophobicContact CB-CB 3.75Å |
| 858 | F | 90.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 47.7 | -176.4 | -159.6 | -126.8 | 0 | 0 | 0 | 113.8 | L752 Y779 I782 L796 M799 L888 T889 F890 E891 N924 | L752-F858 HydrophobicContact CD2-CD1 4.28Å; L752-F858 HydrophobicContact CD2-CE1 3.93Å; L752-F858 HydrophobicContact CD2-CZ 4.45Å; Y779-F858 HydrophobicContact CD1-CD2 4.38Å; Y779-F858 HydrophobicContact CD1-CE2 4.31Å; I782-F858 HydrophobicContact CD1-CE2 4.02Å; I782-F858 HydrophobicContact CD1-CZ 4.19Å; I782-F858 HydrophobicContact CG1-CE2 4.49Å; I782-F858 HydrophobicContact CG1-CZ 4.38Å; L796-F858 HydrophobicContact CD2-CE1 3.75Å; L796-F858 HydrophobicContact CD2-CZ 3.76Å; M799-F858 HydrophobicContact CE-CD1 3.95Å; M799-F858 HydrophobicContact CE-CE1 3.88Å; F858-L888 HydrophobicContact CD2-CD1 4.16Å; F858-L888 HydrophobicContact CD2-CD2 4.43Å; F858-L888 HydrophobicContact CE2-CD2 4.17Å; F858-T889 WeakPolarHBondContact CA-O 3.34Å; F858-T889 PolarHBondContact N-OG1 2.71Å; F858-T889 VanDerWaalsContact N-OG1 3.13Å; F858-F890 PolarHBondContact N-O 2.95Å; F858-F890 VanDerWaalsContact N-O 3.08Å; F858-E891 HydrophobicContact CB-CG 4.19Å; F858-E891 HydrophobicContact CD1-CG 4.49Å; F858-E891 HydrophobicContact CD2-CG 3.31Å; F858-E891 HydrophobicContact CE2-CG 3.64Å; F858-E891 HydrophobicContact CG-CG 3.79Å; F858-E891 HydrophobicContact CZ-CG 4.35Å; F858-N924 WeakPolarHBondContact CB-O 3.03Å |
| 859 | R | 90.2 | Very high | 89.9 | Confident | 16 Ų | 16 | 30.8 Ų | 30.8 | 6% | 0.06 | 16% | 0.156 | C | C | . | . | trans | -122.4 | 146.9 | 177 | -64.9 | -51.3 | -160.4 | -78.2 | -8 | 112.3 | E749 D856 A857 Y861 L888 T889 I921 | E749-R859 WeakPolarHBondContact OE1-CD 3.42Å; E749-R859 WeakPolarHBondContact OE1-CG 3.43Å; E749-R859 IonicContact OE1-NE 3.51Å; E749-R859 PolarHBondContact OE1-NE 3.22Å; D856-R859 HydrophobicContact CB-CG 3.86Å; A857-R859 VanDerWaalsContact C-N 3.33Å; A857-R859 PolarHBondContact O-N 2.9Å; A857-R859 PolarHBondContact O-NH1 3.21Å; R859-Y861 HydrophobicContact CB-CD2 4.3Å; R859-Y861 HydrophobicContact CB-CE2 3.65Å; R859-L888 WeakPolarHBondContact O-CA 3.29Å; R859-L888 WeakPolarHBondContact O-CD1 3.38Å; R859-T889 PolarHBondContact N-OG1 2.83Å; R859-T889 PolarHBondContact O-N 2.91Å; R859-T889 PolarHBondContact O-OG1 2.83Å; R859-I921 PolarHBondContact NH2-O 3.29Å | ||
| 860 | C | 90.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121.9 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | V750 C755 V887 | V750-C860 HydrophobicContact CG2-CB 4.04Å; V750-C860 WeakPolarHBondContact CG2-SG 3.41Å; V750-C860 PolarHBondContact N-O 3.38Å; C755-C860 HydrophobicContact CB-CB 3.64Å; C755-C860 WeakPolarHBondContact CB-SG 3.24Å; C755-C860 PolarHBondContact N-SG 2.91Å; C755-C860 VanDerWaalsContact N-SG 3.36Å; C755-C860 VanDerWaalsContact SG-CA 3.5Å; C755-C860 WeakPolarHBondContact SG-CB 3.26Å; C755-C860 CovalentContact SG-SG 2.02Å; C755-C860 PolarHBondContact SG-SG 3.34Å; C860-V887 WeakPolarHBondContact CA-O 3.27Å |
| 861 | Y | 92.1 | Very high | 88.4 | Confident | 15 Ų | 15 | 30.9 Ų | 30.9 | 6% | 0.059 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.1 | 174.7 | -70 | -83.2 | 0 | 0 | 0 | 111.2 | R748 E749 L855 D856 R859 K886 V887 T889 | R748-Y861 WeakPolarHBondContact O-CA 3.23Å; R748-Y861 WeakPolarHBondContact O-CD1 3.21Å; E749-Y861 HydrophobicContact CB-CD1 4.37Å; E749-Y861 HydrophobicContact CB-CE1 3.98Å; L855-Y861 HydrophobicContact CB-CD2 4.41Å; L855-Y861 HydrophobicContact CB-CE2 3.76Å; L855-Y861 HydrophobicContact CD1-CD2 4.26Å; L855-Y861 HydrophobicContact CD1-CE2 4.42Å; L855-Y861 HydrophobicContact CD2-CD1 4.06Å; L855-Y861 HydrophobicContact CD2-CD2 4.23Å; L855-Y861 HydrophobicContact CD2-CE1 3.9Å; L855-Y861 HydrophobicContact CD2-CE2 4.04Å; L855-Y861 HydrophobicContact CD2-CG 4.24Å; L855-Y861 HydrophobicContact CG-CE2 4.28Å; D856-Y861 PolarHBondContact N-OH 3.45Å; R859-Y861 HydrophobicContact CB-CD2 4.3Å; R859-Y861 HydrophobicContact CB-CE2 3.65Å; Y861-K886 WeakPolarHBondContact O-CA 3.36Å; Y861-V887 PolarHBondContact N-O 3.17Å; Y861-V887 PolarHBondContact O-N 3.06Å; Y861-T889 HydrophobicContact CD2-CG2 4.02Å; Y861-T889 HydrophobicContact CE2-CG2 4Å |
| 862 | E | 92.1 | Very high | 87 | Confident | 22 Ų | 22 | 34 Ų | 34 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.8 | 173.2 | -172 | 172.3 | -105.3 | 0 | 0 | 108.7 | H747 R748 V750 W822 T884 K886 | H747-E862 CarbonylContact C-O 3.55Å; H747-E862 VanDerWaalsContact CA-O 3.31Å; H747-E862 WeakPolarHBondContact CA-O 3.31Å; R748-E862 HydrophobicContact CG-CB 4.27Å; R748-E862 IonicContact CZ-OE2 3.41Å; R748-E862 VanDerWaalsContact CZ-OE2 3.26Å; R748-E862 PolarHBondContact N-O 3.1Å; R748-E862 IonicContact NE-OE2 2.75Å; R748-E862 PolarHBondContact NE-OE2 2.9Å; R748-E862 IonicContact NH2-OE2 3.53Å; R748-E862 PolarHBondContact NH2-OE2 3.32Å; R748-E862 PolarHBondContact O-N 3.45Å; V750-E862 HydrophobicContact CG1-CB 3.71Å; V750-E862 HydrophobicContact CG2-CB 4.32Å; W822-E862 HydrophobicContact CH2-CG 4.05Å; W822-E862 WeakPolarHBondContact CZ3-O 3.35Å; E862-T884 HydrophobicContact CG-CG2 3.3Å; E862-K886 HydrophobicContact CB-CG 4.3Å; E862-K886 HydrophobicContact CG-CG 4.18Å; E862-K886 WeakPolarHBondContact OE1-CE 3.15Å; E862-K886 IonicContact OE1-NZ 3.43Å |
| 863 | I | 92.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 137.5 | -166.6 | -59.9 | 169.7 | 0 | 0 | 0 | 111 | L713 L716 V724 V726 V745 Y746 H747 L852 T884 L885 V887 | L713-I863 WeakPolarHBondContact CD2-O 3.45Å; L716-I863 HydrophobicContact CD1-CB 4.15Å; L716-I863 HydrophobicContact CD1-CD1 3.97Å; L716-I863 HydrophobicContact CD1-CG1 4.43Å; L716-I863 HydrophobicContact CD2-CB 4.16Å; L716-I863 HydrophobicContact CD2-CD1 3.83Å; L716-I863 HydrophobicContact CD2-CG2 4.05Å; V724-I863 HydrophobicContact CG1-CD1 4.39Å; V726-I863 HydrophobicContact CG1-CG2 4.24Å; V726-I863 HydrophobicContact CG2-CD1 4.46Å; V726-I863 HydrophobicContact CG2-CG2 4.35Å; V745-I863 HydrophobicContact CG1-CG2 3.84Å; Y746-I863 WeakPolarHBondContact O-CA 3.26Å; H747-I863 HydrophobicContact CB-CG1 3.88Å; L852-I863 HydrophobicContact CD1-CD1 3.44Å; L852-I863 VanDerWaalsContact CD1-CD1 3.44Å; L852-I863 HydrophobicContact CD1-CG1 4.05Å; I863-T884 WeakPolarHBondContact O-CA 3.37Å; I863-L885 PolarHBondContact N-O 3.35Å; I863-L885 PolarHBondContact O-N 2.88Å; I863-V887 HydrophobicContact CD1-CG1 3.68Å |
| 864 | K | 93.1 | Very high | 84 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 162.8 | 172.6 | 63.1 | 176.3 | 173.6 | 170.2 | 0 | 112.4 | Y746 W822 E881 T884 | Y746-K864 HydrophobicContact CD2-CG 4.41Å; Y746-K864 PolarHBondContact N-O 2.84Å; Y746-K864 PolarHBondContact O-N 2.66Å; W822-K864 HydrophobicContact CH2-CD 4.05Å; W822-K864 HydrophobicContact CH2-CG 4.04Å; W822-K864 HydrophobicContact CZ2-CD 4.37Å; W822-K864 HydrophobicContact CZ3-CD 4.38Å; W822-K864 HydrophobicContact CZ3-CG 3.91Å; K864-E881 HydrophobicContact CD-CB 4.32Å; K864-E881 IonicContact NZ-OE1 2.81Å; K864-E881 PolarHBondContact NZ-OE1 3.08Å; K864-E881 IonicContact NZ-OE2 3.6Å; K864-E881 PolarHBondContact NZ-OE2 2.93Å; K864-T884 HydrophobicContact CB-CG2 4.43Å |
| 865 | V | 93.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 144.6 | -172.2 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | L711 L713 V726 W728 Y743 F744 V745 E881 S882 | L711-V865 HydrophobicContact CD2-CG1 4.17Å; L713-V865 HydrophobicContact CD1-CG2 3.74Å; V726-V865 HydrophobicContact CG1-CG2 4.32Å; W728-V865 HydrophobicContact CD2-CG1 4.18Å; W728-V865 HydrophobicContact CE3-CG2 4.36Å; W728-V865 HydrophobicContact CG-CG1 4.38Å; Y743-V865 HydrophobicContact CD1-CG1 4.47Å; F744-V865 CarbonylContact O-C 2.97Å; F744-V865 WeakPolarHBondContact O-CA 3.38Å; V745-V865 HydrophobicContact CG2-CG1 4.02Å; V745-V865 HydrophobicContact CG2-CG2 3.97Å; V865-E881 CarbonylContact O-C 3.4Å; V865-E881 WeakPolarHBondContact O-CA 3.41Å; V865-S882 PolarHBondContact N-OG 2.7Å; V865-S882 PolarHBondContact O-N 3.09Å |
| 866 | K | 93.2 | Very high | 82.7 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 145.8 | 165.9 | -62.3 | -177.9 | -167.3 | 172.3 | 0 | 109.8 | Y743 F744 Y746 E878 E881 | Y743-K866 CarbonylContact C-O 3.57Å; Y743-K866 WeakPolarHBondContact CA-O 3.39Å; Y743-K866 WeakPolarHBondContact CB-O 3.27Å; F744-K866 PolarHBondContact N-O 2.03Å; F744-K866 PolarHBondContact O-N 3.45Å; Y746-K866 HydrophobicContact CE2-CB 4.14Å; Y746-K866 HydrophobicContact CE2-CD 3.8Å; Y746-K866 HydrophobicContact CE2-CG 3.78Å; K866-E878 HydrophobicContact CD-CB 4.05Å; K866-E878 HydrophobicContact CD-CG 4.34Å; K866-E878 VanDerWaalsContact CD-OE2 3.29Å; K866-E878 WeakPolarHBondContact CD-OE2 3.26Å; K866-E878 IonicContact NZ-OE2 2.81Å; K866-E878 PolarHBondContact NZ-OE2 2.91Å; K866-E881 HydrophobicContact CD-CB 4.41Å; K866-E881 WeakPolarHBondContact CE-OE2 3.33Å; K866-E881 HydrophobicContact CG-CB 3.81Å |
| 867 | A | 91.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 154 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F706 L711 V740 G742 Y743 E878 S879 | F706-A867 HydrophobicContact CE2-CB 4.47Å; F706-A867 HydrophobicContact CZ-CB 4.19Å; L711-A867 HydrophobicContact CD1-CB 4.04Å; L711-A867 HydrophobicContact CD2-CB 4.18Å; V740-A867 HydrophobicContact CG1-CB 4.09Å; G742-A867 CarbonylContact O-C 3.48Å; Y743-A867 HydrophobicContact CD1-CB 3.85Å; Y743-A867 HydrophobicContact CE1-CB 3.9Å; A867-E878 WeakPolarHBondContact O-CA 3.45Å; A867-S879 PolarHBondContact N-OG 2.9Å; A867-S879 PolarHBondContact O-N 3.41Å; A867-S879 PolarHBondContact O-OG 3.44Å |
| 868 | Y | 91.1 | Very high | 82.2 | Confident | 17 Ų | 17 | 49.2 Ų | 49.2 | 7% | 0.067 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 155.5 | 168.9 | 75.2 | -101.8 | 0 | 0 | 0 | 113.5 | K741 G742 F744 D826 I876 I877 | K741-Y868 HydrophobicContact CB-CD2 4.34Å; K741-Y868 HydrophobicContact CB-CE2 3.93Å; K741-Y868 PolarHBondContact N-O 2.85Å; G742-Y868 VanDerWaalsContact C-CD1 3.45Å; G742-Y868 VanDerWaalsContact C-CE1 3.42Å; G742-Y868 WeakPolarHBondContact O-CD1 3.39Å; G742-Y868 PolarHBondContact O-N 3.25Å; F744-Y868 AromaticContact CD1-CD1 3.93Å; F744-Y868 HydrophobicContact CD1-CD1 3.93Å; F744-Y868 HydrophobicContact CD1-CE1 4.04Å; F744-Y868 AromaticContact CD2-CD1 3.87Å; F744-Y868 HydrophobicContact CD2-CD1 3.87Å; F744-Y868 HydrophobicContact CD2-CG 4.38Å; F744-Y868 AromaticContact CE1-CD1 3.68Å; F744-Y868 HydrophobicContact CE1-CD1 3.68Å; F744-Y868 AromaticContact CE1-CE1 3.66Å; F744-Y868 HydrophobicContact CE1-CE1 3.66Å; F744-Y868 AromaticContact CE2-CD1 3.63Å; F744-Y868 HydrophobicContact CE2-CD1 3.63Å; F744-Y868 HydrophobicContact CE2-CE1 4.42Å; F744-Y868 AromaticContact CE2-CG 3.85Å; F744-Y868 HydrophobicContact CE2-CG 3.85Å; F744-Y868 HydrophobicContact CG-CD1 4.01Å; F744-Y868 AromaticContact CZ-CD1 3.52Å; F744-Y868 HydrophobicContact CZ-CD1 3.52Å; F744-Y868 AromaticContact CZ-CE1 3.87Å; F744-Y868 HydrophobicContact CZ-CE1 3.87Å; F744-Y868 AromaticContact CZ-CG 3.92Å; F744-Y868 HydrophobicContact CZ-CG 3.92Å; D826-Y868 WeakPolarHBondContact OD1-CE1 3.41Å; D826-Y868 VanDerWaalsContact OD1-CZ 3.28Å; D826-Y868 PolarHBondContact OD1-OH 2.76Å; D826-Y868 PolarHBondContact OD2-OH 3.07Å; Y868-I876 HydrophobicContact CD2-CG2 3.86Å; Y868-I876 HydrophobicContact CG-CG2 3.95Å; Y868-I877 CarbonylContact C-O 3.48Å; Y868-I877 WeakPolarHBondContact CA-O 3.17Å; Y868-I877 WeakPolarHBondContact CB-O 3.47Å |
| 869 | S | 85.2 | Confident | 82.2 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 157.4 | 171.4 | -167.9 | 0 | 0 | 0 | 0 | 110.4 | M739 I876 I877 | M739-S869 WeakPolarHBondContact O-CB 3.22Å; M739-S869 PolarHBondContact O-OG 2.8Å; S869-I876 WeakPolarHBondContact O-CA 3.43Å; S869-I877 PolarHBondContact N-O 3.07Å; S869-I877 PolarHBondContact O-N 3.09Å |
| 870 | S | 76.5 | Confident | 82.2 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 29% | 0.287 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 136.5 | 172.8 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | K741 | K741-S870 VanDerWaalsContact CD-OG 3.28Å; K741-S870 WeakPolarHBondContact CD-OG 3.48Å; K741-S870 WeakPolarHBondContact CE-O 3.47Å; K741-S870 PolarHBondContact NZ-O 2.87Å; K741-S870 PolarHBondContact NZ-OG 2.95Å |
| 871 | N | 64.9 | Low | 82.2 | Confident | 75 Ų | 75 | 59 Ų | 59 | 40% | 0.401 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 148.8 | 174.7 | -172.2 | -27 | 0 | 0 | 0 | 107.3 | L873 M874 | N871-L873 PolarHBondContact O-N 2.91Å; N871-M874 PolarHBondContact O-N 2.69Å |
| 872 | S | 59.2 | Low | 82.2 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 85% | 0.853 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20.1 | -178.5 | 49.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 873 | L | 57.1 | Low | 82.1 | Confident | 157 Ų | 157 | 61.1 Ų | 61.1 | 82% | 0.822 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -3.3 | 176.3 | -73.4 | 125.7 | 0 | 0 | 0 | 115.4 | N871 | N871-L873 PolarHBondContact O-N 2.91Š|
| 874 | M | 54.3 | Low | 81.9 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 51% | 0.512 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.9 | -179.6 | -68.7 | -155.8 | -166.9 | 0 | 0 | 113.4 | L703 N871 I877 | L703-M874 HydrophobicContact CD2-CE 4.28Å; L703-M874 HydrophobicContact CD2-SD 4.31Å; N871-M874 PolarHBondContact O-N 2.69Å; M874-I877 HydrophobicContact SD-CD1 3.9Å |
| 875 | K | 67 | Low | 81.8 | Confident | 196 Ų | 196 | 65.1 Ų | 65.1 | 85% | 0.852 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 156.6 | 161.8 | -72.7 | -174.1 | 176.7 | -177.8 | 0 | 110.3 | I877 | K875-I877 WeakPolarHBondContact O-CG1 3.39Å; K875-I877 PolarHBondContact O-N 2.85Å |
| 876 | I | 79.8 | Confident | 81.6 | Confident | 96 Ų | 96 | 68.4 Ų | 68.4 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.9 | 132.1 | 179.2 | -56.5 | 176.9 | 0 | 0 | 0 | 110.3 | F744 Y868 S869 | F744-I876 HydrophobicContact CE2-CG2 3.93Å; F744-I876 HydrophobicContact CZ-CD1 4.22Å; F744-I876 HydrophobicContact CZ-CG2 4.12Å; Y868-I876 HydrophobicContact CD2-CG2 3.86Å; Y868-I876 HydrophobicContact CG-CG2 3.95Å; S869-I876 WeakPolarHBondContact O-CA 3.43Å |
| 877 | I | 82.7 | Confident | 81.4 | Confident | 19 Ų | 19 | 67 Ų | 67 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.7 | 178.7 | -53.7 | -179.9 | 0 | 0 | 0 | 107.4 | L703 F706 K707 Y868 S869 M874 K875 | L703-I877 HydrophobicContact CD1-CD1 3.55Å; L703-I877 HydrophobicContact CD2-CD1 4.04Å; L703-I877 HydrophobicContact CG-CD1 3.85Å; F706-I877 HydrophobicContact CD1-CG2 3.97Å; F706-I877 HydrophobicContact CE1-CB 4.44Å; F706-I877 HydrophobicContact CE1-CG2 4.18Å; F706-I877 VanDerWaalsContact CE1-O 3.3Å; F706-I877 WeakPolarHBondContact CE1-O 3.34Å; K707-I877 HydrophobicContact CD-CG2 4.39Å; K707-I877 HydrophobicContact CG-CG2 3.93Å; Y868-I877 CarbonylContact C-O 3.48Å; Y868-I877 WeakPolarHBondContact CA-O 3.17Å; Y868-I877 WeakPolarHBondContact CB-O 3.47Å; S869-I877 PolarHBondContact N-O 3.07Å; S869-I877 PolarHBondContact O-N 3.09Å; M874-I877 HydrophobicContact SD-CD1 3.9Å; K875-I877 WeakPolarHBondContact O-CG1 3.39Å; K875-I877 PolarHBondContact O-N 2.85Å |
| 878 | E | 88.9 | Confident | 81.3 | Confident | 79 Ų | 79 | 67.5 Ų | 67.5 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 151.6 | 176.5 | -61.3 | 177.1 | 175.2 | 0 | 0 | 111.4 | F744 Y746 K866 A867 | F744-E878 HydrophobicContact CD2-CG 4.32Å; F744-E878 HydrophobicContact CE2-CG 4.34Å; Y746-E878 PolarHBondContact OH-OE1 2.82Å; K866-E878 HydrophobicContact CD-CB 4.05Å; K866-E878 HydrophobicContact CD-CG 4.34Å; K866-E878 VanDerWaalsContact CD-OE2 3.29Å; K866-E878 WeakPolarHBondContact CD-OE2 3.26Å; K866-E878 IonicContact NZ-OE2 2.81Å; K866-E878 PolarHBondContact NZ-OE2 2.91Å; A867-E878 WeakPolarHBondContact O-CA 3.45Å |
| 879 | S | 90 | Very high | 81.2 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 8% | 0.077 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -171.1 | 166.8 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | L711 A867 | L711-S879 WeakPolarHBondContact CD1-OG 3.45Å; A867-S879 PolarHBondContact N-OG 2.9Å; A867-S879 PolarHBondContact O-N 3.41Å; A867-S879 PolarHBondContact O-OG 3.44Å |
| 880 | R | 90.8 | Very high | 81.3 | Confident | 122 Ų | 122 | 66.7 Ų | 66.7 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 156.6 | 159.5 | -62.2 | 174.3 | 176.5 | -159.3 | 0.8 | 110.3 | N708 N710 | N708-R880 PolarHBondContact OD1-NE 3.28Å; N708-R880 PolarHBondContact OD1-NH2 3.36Å; N710-R880 WeakPolarHBondContact OD1-CD 3.39Å; N710-R880 PolarHBondContact OD1-NH1 3.44Å |
| 881 | E | 90.2 | Very high | 81.8 | Confident | 91 Ų | 91 | 64.8 Ų | 64.8 | 43% | 0.425 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 149.7 | 171.3 | 54.7 | -172.6 | -126.4 | 0 | 0 | 112.6 | K864 V865 K866 | K864-E881 HydrophobicContact CD-CB 4.32Å; K864-E881 IonicContact NZ-OE1 2.81Å; K864-E881 PolarHBondContact NZ-OE1 3.08Å; K864-E881 IonicContact NZ-OE2 3.6Å; K864-E881 PolarHBondContact NZ-OE2 2.93Å; V865-E881 CarbonylContact O-C 3.4Å; V865-E881 WeakPolarHBondContact O-CA 3.41Å; K866-E881 HydrophobicContact CD-CB 4.41Å; K866-E881 WeakPolarHBondContact CE-OE2 3.33Å; K866-E881 HydrophobicContact CG-CB 3.81Å |
| 882 | S | 92.2 | Very high | 83 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 166.5 | 174.9 | 72.2 | 0 | 0 | 0 | 0 | 112.4 | L711 V865 T884 | L711-S882 VanDerWaalsContact O-CA 3.27Å; L711-S882 WeakPolarHBondContact O-CA 3.39Å; L711-S882 WeakPolarHBondContact O-CB 2.97Å; V865-S882 PolarHBondContact N-OG 2.7Å; V865-S882 PolarHBondContact O-N 3.09Å; S882-T884 PolarHBondContact O-N 2.66Å |
| 883 | N | 89.3 | Confident | 84.4 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 39% | 0.39 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -48.5 | 140.2 | 154.5 | 57.8 | -58.4 | 0 | 0 | 0 | 110.1 | L713 | L713-N883 WeakPolarHBondContact CB-O 3.48Å; L713-N883 WeakPolarHBondContact CD2-O 3.26Å; L713-N883 PolarHBondContact N-OD1 3.25Å; L713-N883 PolarHBondContact O-ND2 3.06Å |
| 884 | T | 89.9 | Confident | 86 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 34% | 0.344 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -96.2 | 127.2 | -178.6 | -61 | 0 | 0 | 0 | 0 | 109.1 | W822 E862 I863 K864 S882 | W822-T884 HydrophobicContact CH2-CG2 4.23Å; E862-T884 HydrophobicContact CG-CG2 3.3Å; I863-T884 WeakPolarHBondContact O-CA 3.37Å; K864-T884 HydrophobicContact CB-CG2 4.43Å; S882-T884 PolarHBondContact O-N 2.66Å |
| 885 | L | 89.7 | Confident | 87.7 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 28% | 0.277 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 159.5 | -179.6 | -66.5 | -174 | 0 | 0 | 0 | 111.5 | L713 L716 I863 | L713-L885 HydrophobicContact CB-CD1 4.44Å; L713-L885 HydrophobicContact CD2-CB 3.88Å; L713-L885 HydrophobicContact CD2-CD1 4.18Å; L713-L885 HydrophobicContact CD2-CG 3.9Å; L713-L885 HydrophobicContact CG-CD1 3.92Å; L713-L885 HydrophobicContact CG-CG 4.14Å; L716-L885 HydrophobicContact CD1-CB 3.42Å; L716-L885 VanDerWaalsContact CD1-CB 3.42Å; L716-L885 HydrophobicContact CG-CB 3.92Å; L716-L885 HydrophobicContact CG-CD1 4.37Å; I863-L885 PolarHBondContact N-O 3.35Å; I863-L885 PolarHBondContact O-N 2.88Å |
| 886 | K | 90.2 | Very high | 88.7 | Confident | 70 Ų | 70 | 43.5 Ų | 43.5 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 135.3 | -177.6 | -66.8 | 172.2 | -175.2 | 162 | 0 | 112.6 | K759 Y861 E862 | K759-K886 PolarHBondContact NZ-O 2.91Å; Y861-K886 WeakPolarHBondContact O-CA 3.36Å; E862-K886 HydrophobicContact CB-CG 4.3Å; E862-K886 HydrophobicContact CG-CG 4.18Å; E862-K886 WeakPolarHBondContact OE1-CE 3.15Å; E862-K886 IonicContact OE1-NZ 3.43Å |
| 887 | V | 88.2 | Confident | 89.2 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 141.6 | -177.1 | 64.1 | 0 | 0 | 0 | 0 | 110.9 | L716 P718 V724 C755 C860 Y861 I863 | L716-V887 HydrophobicContact CB-CB 3.99Å; L716-V887 HydrophobicContact CB-CG2 4.29Å; L716-V887 HydrophobicContact CD1-CB 3.91Å; L716-V887 HydrophobicContact CD1-CG1 4.06Å; P718-V887 HydrophobicContact CB-CG2 4.04Å; P718-V887 HydrophobicContact CG-CG2 4.09Å; V724-V887 HydrophobicContact CG1-CG1 4.18Å; V724-V887 HydrophobicContact CG1-CG2 4.22Å; V724-V887 HydrophobicContact CG2-CG1 3.96Å; V724-V887 HydrophobicContact CG2-CG2 3.94Å; C755-V887 VanDerWaalsContact SG-C 3.53Å; C755-V887 PolarHBondContact SG-O 2.88Å; C755-V887 VanDerWaalsContact SG-O 3.34Å; C860-V887 WeakPolarHBondContact CA-O 3.27Å; Y861-V887 PolarHBondContact N-O 3.17Å; Y861-V887 PolarHBondContact O-N 3.06Å; I863-V887 HydrophobicContact CD1-CG1 3.68Å |
| 888 | L | 90.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.3 | 172.1 | 177.5 | 56.4 | 0 | 0 | 0 | 108.4 | L752 C755 Y779 I782 F858 R859 | L752-L888 HydrophobicContact CD1-CD1 3.44Å; L752-L888 VanDerWaalsContact CD1-CD1 3.44Å; C755-L888 HydrophobicContact CB-CB 4.15Å; Y779-L888 HydrophobicContact CD1-CD2 4.16Å; Y779-L888 HydrophobicContact CD1-CG 4.46Å; Y779-L888 HydrophobicContact CE1-CB 4.4Å; Y779-L888 HydrophobicContact CE1-CD2 3.81Å; Y779-L888 HydrophobicContact CE1-CG 3.71Å; Y779-L888 PolarHBondContact OH-O 3.31Å; I782-L888 HydrophobicContact CD1-CD2 4.27Å; F858-L888 HydrophobicContact CD2-CD1 4.16Å; F858-L888 HydrophobicContact CD2-CD2 4.43Å; F858-L888 HydrophobicContact CE2-CD2 4.17Å; R859-L888 WeakPolarHBondContact O-CA 3.29Å; R859-L888 WeakPolarHBondContact O-CD1 3.38Å |
| 889 | T | 89.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 150.5 | 172.1 | 51.1 | 0 | 0 | 0 | 0 | 111.1 | P721 V724 Y779 L855 D856 F858 R859 Y861 | P721-T889 WeakPolarHBondContact O-CB 3.39Å; V724-T889 HydrophobicContact CG2-CG2 4.36Å; Y779-T889 WeakPolarHBondContact CE1-O 3.26Å; L855-T889 HydrophobicContact CB-CG2 4.03Å; L855-T889 HydrophobicContact CD1-CG2 4.06Å; D856-T889 WeakPolarHBondContact O-CB 3.4Å; D856-T889 PolarHBondContact O-OG1 2.9Å; F858-T889 WeakPolarHBondContact CA-O 3.34Å; F858-T889 PolarHBondContact N-OG1 2.71Å; F858-T889 VanDerWaalsContact N-OG1 3.13Å; R859-T889 PolarHBondContact N-OG1 2.83Å; R859-T889 PolarHBondContact O-N 2.91Å; R859-T889 PolarHBondContact O-OG1 2.83Å; Y861-T889 HydrophobicContact CD2-CG2 4.02Å; Y861-T889 HydrophobicContact CE2-CG2 4Å |
| 890 | F | 87 | Confident | 89.4 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 155.9 | -178 | -58.2 | -23.5 | 0 | 0 | 0 | 112.9 | P718 L719 P721 M778 Y779 F858 | P718-F890 HydrophobicContact CB-CD1 4.06Å; P718-F890 HydrophobicContact CB-CE1 3.56Å; P718-F890 HydrophobicContact CB-CZ 3.97Å; P718-F890 HydrophobicContact CG-CD1 4.35Å; P718-F890 HydrophobicContact CG-CE1 3.55Å; P718-F890 HydrophobicContact CG-CZ 4.1Å; P718-F890 WeakPolarHBondContact O-CZ 3.48Å; L719-F890 VanDerWaalsContact C-CE2 3.5Å; P721-F890 WeakPolarHBondContact CB-O 3.42Å; P721-F890 HydrophobicContact CG-CB 4.02Å; M778-F890 HydrophobicContact CB-CD1 3.77Å; M778-F890 HydrophobicContact CB-CE1 3.77Å; M778-F890 HydrophobicContact CB-CG 4.22Å; M778-F890 HydrophobicContact CB-CZ 4.26Å; M778-F890 HydrophobicContact CE-CE1 4.43Å; M778-F890 HydrophobicContact CE-CE2 4.42Å; M778-F890 HydrophobicContact CE-CZ 3.79Å; M778-F890 HydrophobicContact CG-CD1 4.18Å; M778-F890 HydrophobicContact CG-CD2 4.47Å; M778-F890 HydrophobicContact CG-CE1 3.76Å; M778-F890 HydrophobicContact CG-CE2 4.11Å; M778-F890 HydrophobicContact CG-CZ 3.74Å; M778-F890 HydrophobicContact SD-CD1 4.31Å; M778-F890 HydrophobicContact SD-CE1 3.37Å; M778-F890 WeakPolarHBondContact SD-CE1 3.31Å; M778-F890 HydrophobicContact SD-CE2 4.21Å; M778-F890 HydrophobicContact SD-CZ 3.32Å; M778-F890 WeakPolarHBondContact SD-CZ 3.24Å; Y779-F890 HydrophobicContact CE1-CD1 4.04Å; Y779-F890 HydrophobicContact CE2-CD1 4.3Å; Y779-F890 HydrophobicContact CE2-CE1 4.49Å; Y779-F890 AromaticContact CZ-CD1 3.71Å; F858-F890 PolarHBondContact N-O 2.95Å; F858-F890 VanDerWaalsContact N-O 3.08Å |
| 891 | E | 88 | Confident | 89.4 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 154.5 | 170.3 | -71.2 | -175.9 | -91.2 | 0 | 0 | 111.6 | P721 Y779 C780 S781 F858 N924 G925 L926 C974 K975 | P721-E891 WeakPolarHBondContact CG-O 3.28Å; Y779-E891 WeakPolarHBondContact CA-OE1 3.35Å; C780-E891 PolarHBondContact N-OE1 3.24Å; S781-E891 VanDerWaalsContact CB-OE2 3.22Å; S781-E891 WeakPolarHBondContact CB-OE2 3.33Å; S781-E891 PolarHBondContact N-OE1 3.28Å; S781-E891 PolarHBondContact OG-OE1 3.47Å; S781-E891 PolarHBondContact OG-OE2 2.89Å; F858-E891 HydrophobicContact CB-CG 4.19Å; F858-E891 HydrophobicContact CD1-CG 4.49Å; F858-E891 HydrophobicContact CD2-CG 3.31Å; F858-E891 HydrophobicContact CE2-CG 3.64Å; F858-E891 HydrophobicContact CG-CG 3.79Å; F858-E891 HydrophobicContact CZ-CG 4.35Å; E891-N924 CarbonylContact C-O 3.45Å; E891-N924 WeakPolarHBondContact CA-O 3.24Å; E891-G925 WeakPolarHBondContact OE2-CA 3.45Å; E891-L926 PolarHBondContact OE2-N 2.65Å; E891-C974 PolarHBondContact OE2-SG 2.96Å; E891-K975 HydrophobicContact CB-CD 4.49Å; E891-K975 HydrophobicContact CB-CG 3.84Å; E891-K975 WeakPolarHBondContact O-CE 3.41Å |
| 892 | S | 89 | Confident | 89.5 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 21% | 0.21 | 19% | 0.191 | C | C | . | . | trans | -142 | -179.3 | 175.6 | -161.8 | 0 | 0 | 0 | 0 | 111.4 | N924 T973 | S892-N924 PolarHBondContact N-O 3.11Å; S892-T973 PolarHBondContact O-OG1 3.38Å | ||
| 893 | F | 89.2 | Confident | 89.4 | Confident | 83 Ų | 83 | 35.1 Ų | 35.1 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | trans | -71 | 150.5 | 172.3 | -42.8 | -90.1 | 0 | 0 | 0 | 111.1 | S895 N924 K975 I977 | F893-S895 PolarHBondContact O-N 2.88Å; F893-N924 WeakPolarHBondContact O-CB 3.22Å; F893-N924 PolarHBondContact O-ND2 2.82Å; F893-K975 HydrophobicContact CD1-CB 4.36Å; F893-K975 HydrophobicContact CE1-CB 4.38Å; F893-K975 WeakPolarHBondContact CE1-O 3.44Å; F893-I977 WeakPolarHBondContact CD1-O 3.46Å | ||
| 894 | P | 89.5 | Confident | 89.4 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | trans | -57.8 | 128.7 | 171.8 | -28 | 37.1 | 0 | 0 | 0 | 112.6 | S896 H922 A971 T973 G978 V979 | P894-S896 VanDerWaalsContact C-N 3.32Å; P894-H922 WeakPolarHBondContact CA-O 3.28Å; P894-A971 HydrophobicContact CB-CB 3.81Å; P894-A971 HydrophobicContact CG-CB 3.86Å; P894-T973 HydrophobicContact CG-CG2 3.86Å; P894-G978 WeakPolarHBondContact O-CA 3.11Å; P894-V979 PolarHBondContact O-N 3.07Å | ||
| 895 | S | 90 | Very high | 89.3 | Confident | 63 Ų | 63 | 31 Ų | 31 | 44% | 0.441 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -88 | 1.8 | -179.4 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | F893 H922 N924 | F893-S895 PolarHBondContact O-N 2.88Å; S895-H922 PolarHBondContact N-O 3.36Å; S895-H922 WeakPolarHBondContact OG-CB 3.42Å; S895-H922 PolarHBondContact OG-O 2.77Å; S895-N924 WeakPolarHBondContact CB-ND2 3.06Å; S895-N924 PolarHBondContact N-ND2 3.5Å; S895-N924 PolarHBondContact OG-ND2 2.88Å |
| 896 | S | 88.5 | Confident | 89.2 | Confident | 28 Ų | 28 | 31.6 Ų | 31.6 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -137.2 | 137.9 | 177.5 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | P894 | P894-S896 VanDerWaalsContact C-N 3.32Š|
| 897 | P | 91.2 | Very high | 88.9 | Confident | 33 Ų | 33 | 29.9 Ų | 29.9 | 21% | 0.214 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 168.7 | 170.2 | 32.8 | -36.1 | 0 | 0 | 0 | 111.2 | ||
| 898 | P | 90.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 147 | 165 | -21.8 | 34.9 | 0 | 0 | 0 | 111.3 | I901 W915 D916 Y930 M969 | P898-I901 HydrophobicContact CB-CD1 4.27Å; P898-I901 HydrophobicContact CB-CG1 4.27Å; P898-I901 WeakPolarHBondContact O-CD1 3.42Å; P898-W915 HydrophobicContact CB-CB 4.08Å; P898-W915 HydrophobicContact CB-CG 4.18Å; P898-D916 WeakPolarHBondContact CA-O 3.38Å; P898-D916 WeakPolarHBondContact CB-O 3.43Å; P898-Y930 HydrophobicContact CB-CE1 4.44Å; P898-Y930 HydrophobicContact CG-CD1 3.64Å; P898-Y930 HydrophobicContact CG-CE1 3.86Å; P898-M969 HydrophobicContact CG-CB 4.04Å |
| 899 | D | 86.7 | Confident | 88.3 | Confident | 93 Ų | 93 | 36.7 Ų | 36.7 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 172.4 | -177.8 | -162.4 | 6.3 | 0 | 0 | 0 | 110.9 | I901 D916 | D899-I901 PolarHBondContact O-N 2.89Å; D899-D916 HydrophobicContact CB-CB 4.36Å; D899-D916 PolarHBondContact N-O 3.13Å; D899-D916 PolarHBondContact O-N 3.38Å |
| 900 | K | 88.7 | Confident | 88.2 | Confident | 53 Ų | 53 | 38 Ų | 38 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.4 | 29.1 | 176 | -57 | -170.8 | -165.8 | 152.9 | 0 | 114.9 | F902 D916 W999 | K900-F902 VanDerWaalsContact O-CD1 3.28Å; K900-F902 WeakPolarHBondContact O-CD1 3.3Å; K900-F902 PolarHBondContact O-N 2.83Å; K900-D916 HydrophobicContact CB-CB 4.2Å; K900-D916 HydrophobicContact CD-CB 4.33Å; K900-D916 VanDerWaalsContact CD-OD2 3.3Å; K900-D916 WeakPolarHBondContact CD-OD2 3.38Å; K900-D916 WeakPolarHBondContact CE-OD2 3.42Å; K900-D916 HydrophobicContact CG-CB 4.29Å; K900-D916 IonicContact NZ-OD2 3.89Å; K900-D916 PolarHBondContact NZ-OD2 2.86Å; K900-W999 VanDerWaalsContact C-CB 3.48Å; K900-W999 HydrophobicContact CB-CB 4.33Å; K900-W999 HydrophobicContact CB-CD2 3.66Å; K900-W999 HydrophobicContact CB-CE3 3.73Å; K900-W999 HydrophobicContact CB-CG 3.91Å; K900-W999 HydrophobicContact CB-CZ3 4.32Å; K900-W999 HydrophobicContact CD-CD2 4.1Å; K900-W999 HydrophobicContact CD-CE3 4.01Å; K900-W999 HydrophobicContact CD-CH2 3.69Å; K900-W999 HydrophobicContact CD-CZ2 3.75Å; K900-W999 HydrophobicContact CD-CZ3 3.79Å; K900-W999 HydrophobicContact CG-CD2 3.82Å; K900-W999 HydrophobicContact CG-CE3 4.11Å; K900-W999 HydrophobicContact CG-CG 4.24Å; K900-W999 HydrophobicContact CG-CH2 4.46Å; K900-W999 HydrophobicContact CG-CZ2 4.16Å; K900-W999 HydrophobicContact CG-CZ3 4.4Å; K900-W999 WeakPolarHBondContact O-CB 3.28Å |
| 901 | I | 90 | Very high | 88.3 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 9% | 0.087 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 126.3 | -174.4 | -48.5 | 168.9 | 0 | 0 | 0 | 110.2 | P898 D899 L913 S914 W915 M969 I984 W999 | P898-I901 HydrophobicContact CB-CD1 4.27Å; P898-I901 HydrophobicContact CB-CG1 4.27Å; P898-I901 WeakPolarHBondContact O-CD1 3.42Å; D899-I901 PolarHBondContact O-N 2.89Å; I901-L913 HydrophobicContact CG2-CD1 3.91Å; I901-L913 HydrophobicContact CG2-CG 4.37Å; I901-S914 WeakPolarHBondContact CA-O 3.32Å; I901-W915 HydrophobicContact CB-CB 4.42Å; I901-W915 HydrophobicContact CG1-CB 3.89Å; I901-W915 HydrophobicContact CG2-CB 4.48Å; I901-M969 HydrophobicContact CD1-CB 3.9Å; I901-M969 HydrophobicContact CD1-CG 4.07Å; I901-M969 HydrophobicContact CD1-SD 4.24Å; I901-M969 HydrophobicContact CG1-SD 4.35Å; I901-M969 HydrophobicContact CG2-CG 4.34Å; I901-M969 HydrophobicContact CG2-SD 3.82Å; I901-I984 HydrophobicContact CB-CD1 3.91Å; I901-I984 HydrophobicContact CG2-CD1 3.54Å; I901-I984 WeakPolarHBondContact O-CD1 3.48Å; I901-W999 PolarHBondContact O-N 2.88Å |
| 902 | F | 91.9 | Very high | 88.5 | Confident | 49 Ų | 49 | 39.4 Ų | 39.4 | 22% | 0.215 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151.9 | 173.1 | 64.6 | -98.5 | 0 | 0 | 0 | 112.7 | K900 I904 L913 S914 V997 W999 F1001 | K900-F902 VanDerWaalsContact O-CD1 3.28Å; K900-F902 WeakPolarHBondContact O-CD1 3.3Å; K900-F902 PolarHBondContact O-N 2.83Å; F902-I904 HydrophobicContact CD2-CD1 4.17Å; F902-I904 HydrophobicContact CD2-CG1 4.02Å; F902-I904 HydrophobicContact CE2-CD1 3.9Å; F902-I904 HydrophobicContact CE2-CG1 4.22Å; F902-L913 CarbonylContact O-C 3.59Å; F902-L913 WeakPolarHBondContact O-CA 3.25Å; F902-S914 PolarHBondContact N-O 3.03Å; F902-S914 PolarHBondContact O-N 2.86Å; F902-V997 CarbonylContact C-O 3.52Å; F902-V997 WeakPolarHBondContact CA-O 3.48Å; F902-W999 HydrophobicContact CB-CB 4.5Å; F902-W999 WeakPolarHBondContact CB-O 3.22Å; F902-W999 HydrophobicContact CD1-CE3 4.23Å; F902-W999 HydrophobicContact CE1-CE3 4.49Å; F902-F1001 HydrophobicContact CB-CD2 4.03Å; F902-F1001 HydrophobicContact CB-CE2 4.03Å; F902-F1001 AromaticContact CD2-CE2 3.86Å; F902-F1001 HydrophobicContact CD2-CE2 3.86Å; F902-F1001 HydrophobicContact CG-CE2 4.06Å |
| 903 | A | 89.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I911 E912 L913 L986 G996 V997 | A903-I911 HydrophobicContact CB-CD1 3.76Å; A903-E912 CarbonylContact C-O 3.36Å; A903-E912 VanDerWaalsContact CA-O 3.27Å; A903-E912 WeakPolarHBondContact CA-O 3.45Å; A903-L913 HydrophobicContact CB-CD1 3.83Å; A903-L986 HydrophobicContact CB-CD2 4.03Å; A903-G996 CarbonylContact O-C 3.57Å; A903-G996 WeakPolarHBondContact O-CA 3.37Å; A903-V997 HydrophobicContact CB-CG2 4.17Å; A903-V997 PolarHBondContact N-O 2.82Å; A903-V997 PolarHBondContact O-N 3.38Å |
| 904 | I | 89.7 | Confident | 88.9 | Confident | 40 Ų | 40 | 34.7 Ų | 34.7 | 21% | 0.205 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.5 | 176.8 | -56 | 177.9 | 0 | 0 | 0 | 109.5 | F902 I906 I911 E912 F1001 | F902-I904 HydrophobicContact CD2-CD1 4.17Å; F902-I904 HydrophobicContact CD2-CG1 4.02Å; F902-I904 HydrophobicContact CE2-CD1 3.9Å; F902-I904 HydrophobicContact CE2-CG1 4.22Å; I904-I906 PolarHBondContact O-N 2.79Å; I904-I911 CarbonylContact O-C 3.6Å; I904-I911 VanDerWaalsContact O-CA 3.22Å; I904-I911 WeakPolarHBondContact O-CA 3.46Å; I904-E912 PolarHBondContact N-O 3.45Å; I904-E912 PolarHBondContact O-N 2.81Å; I904-F1001 HydrophobicContact CD1-CE2 4.37Å; I904-F1001 HydrophobicContact CD1-CZ 3.82Å; I904-F1001 HydrophobicContact CG1-CE2 4.08Å; I904-F1001 HydrophobicContact CG1-CZ 3.7Å |
| 905 | W | 87.4 | Confident | 89.1 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.1 | 173.2 | -67.8 | 100.8 | 0 | 0 | 0 | 110.8 | I911 L959 L986 R991 K993 G994 L995 | W905-I911 HydrophobicContact CD2-CG2 3.49Å; W905-I911 VanDerWaalsContact CD2-CG2 3.49Å; W905-I911 HydrophobicContact CE3-CG2 3.33Å; W905-I911 HydrophobicContact CG-CG2 4.08Å; W905-I911 HydrophobicContact CH2-CG2 4.11Å; W905-I911 HydrophobicContact CZ2-CG2 4.26Å; W905-I911 HydrophobicContact CZ3-CG2 3.67Å; W905-L959 HydrophobicContact CH2-CD1 3.79Å; W905-L959 HydrophobicContact CZ3-CB 4.5Å; W905-L959 HydrophobicContact CZ3-CD1 3.73Å; W905-L986 HydrophobicContact CH2-CB 4.31Å; W905-L986 HydrophobicContact CZ2-CB 3.84Å; W905-R991 HydrophobicContact CD2-CB 4.35Å; W905-R991 HydrophobicContact CD2-CG 3.92Å; W905-R991 HydrophobicContact CE3-CB 4.48Å; W905-R991 HydrophobicContact CE3-CG 3.98Å; W905-R991 HydrophobicContact CH2-CG 3.57Å; W905-R991 HydrophobicContact CZ2-CG 3.46Å; W905-R991 VanDerWaalsContact CZ2-CG 3.46Å; W905-R991 HydrophobicContact CZ3-CG 3.81Å; W905-K993 WeakPolarHBondContact O-CA 3.3Å; W905-G994 PolarHBondContact O-N 3.21Å; W905-L995 PolarHBondContact N-O 2.87Å |
| 906 | I | 87.7 | Confident | 89.2 | Confident | 66 Ų | 66 | 34.8 Ų | 34.8 | 34% | 0.338 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -93.2 | -34.3 | 172.2 | -73.2 | 175.9 | 0 | 0 | 0 | 110.5 | I904 T910 E912 L955 K993 | I904-I906 PolarHBondContact O-N 2.79Å; I906-T910 PolarHBondContact N-O 2.77Å; I906-E912 HydrophobicContact CD1-CB 3.75Å; I906-E912 HydrophobicContact CG1-CB 4.44Å; I906-L955 HydrophobicContact CD1-CD2 3.59Å; I906-K993 WeakPolarHBondContact O-CG 3.24Å |
| 907 | S | 83.6 | Confident | 89.2 | Confident | 35 Ų | 35 | 35.7 Ų | 35.7 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -141.4 | -174.7 | 173.4 | 75.9 | 0 | 0 | 0 | 0 | 110.1 | T909 T910 | S907-T909 PolarHBondContact O-N 2.85Å; S907-T909 PolarHBondContact OG-N 2.84Å; S907-T909 VanDerWaalsContact OG-N 3.14Å; S907-T909 PolarHBondContact OG-OG1 3.44Å; S907-T910 WeakPolarHBondContact CB-OG1 3.37Å; S907-T910 PolarHBondContact N-O 3.19Å; S907-T910 PolarHBondContact N-OG1 3.21Å; S907-T910 WeakPolarHBondContact OG-CB 3.46Å; S907-T910 WeakPolarHBondContact OG-CG2 3.42Å; S907-T910 PolarHBondContact OG-N 3.28Å; S907-T910 PolarHBondContact OG-OG1 3.44Å |
| 908 | N | 80.9 | Confident | 89.1 | Confident | 102 Ų | 102 | 34.2 Ų | 34.2 | 55% | 0.545 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -72 | -11.5 | 172.4 | 59.8 | -13.2 | 0 | 0 | 0 | 114.2 | R991 | N908-R991 PolarHBondContact O-NH1 2.9Š|
| 909 | T | 85.4 | Confident | 89 | Confident | 53 Ų | 53 | 36 Ų | 36 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -127.8 | 1.3 | -175.9 | 58.4 | 0 | 0 | 0 | 0 | 114 | S907 G958 L959 | S907-T909 PolarHBondContact O-N 2.85Å; S907-T909 PolarHBondContact OG-N 2.84Å; S907-T909 VanDerWaalsContact OG-N 3.14Å; S907-T909 PolarHBondContact OG-OG1 3.44Å; T909-G958 PolarHBondContact O-N 2.86Å; T909-L959 WeakPolarHBondContact CA-O 3.42Å; T909-L959 PolarHBondContact O-N 2.79Å |
| 910 | T | 87.2 | Confident | 89 | Confident | 26 Ų | 26 | 32.6 Ų | 32.6 | 16% | 0.16 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 134.6 | -175.3 | 69.2 | 0 | 0 | 0 | 0 | 112.9 | I906 S907 I956 K957 | I906-T910 PolarHBondContact N-O 2.77Å; S907-T910 WeakPolarHBondContact CB-OG1 3.37Å; S907-T910 PolarHBondContact N-O 3.19Å; S907-T910 PolarHBondContact N-OG1 3.21Å; S907-T910 WeakPolarHBondContact OG-CB 3.46Å; S907-T910 WeakPolarHBondContact OG-CG2 3.42Å; S907-T910 PolarHBondContact OG-N 3.28Å; S907-T910 PolarHBondContact OG-OG1 3.44Å; T910-I956 VanDerWaalsContact CA-O 3.27Å; T910-I956 WeakPolarHBondContact CA-O 3.16Å; T910-K957 HydrophobicContact CG2-CB 4.03Å; T910-K957 HydrophobicContact CG2-CG 3.89Å |
| 911 | I | 89.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.9 | 171.3 | 59.7 | 165.5 | 0 | 0 | 0 | 111.5 | A903 I904 W905 L955 I956 L959 V967 L986 | A903-I911 HydrophobicContact CB-CD1 3.76Å; I904-I911 CarbonylContact O-C 3.6Å; I904-I911 VanDerWaalsContact O-CA 3.22Å; I904-I911 WeakPolarHBondContact O-CA 3.46Å; W905-I911 HydrophobicContact CD2-CG2 3.49Å; W905-I911 VanDerWaalsContact CD2-CG2 3.49Å; W905-I911 HydrophobicContact CE3-CG2 3.33Å; W905-I911 HydrophobicContact CG-CG2 4.08Å; W905-I911 HydrophobicContact CH2-CG2 4.11Å; W905-I911 HydrophobicContact CZ2-CG2 4.26Å; W905-I911 HydrophobicContact CZ3-CG2 3.67Å; I911-L955 WeakPolarHBondContact O-CA 3.42Å; I911-I956 HydrophobicContact CD1-CB 4.32Å; I911-I956 HydrophobicContact CD1-CD1 3.9Å; I911-I956 HydrophobicContact CG1-CB 3.81Å; I911-I956 HydrophobicContact CG1-CD1 4.27Å; I911-I956 PolarHBondContact N-O 2.83Å; I911-I956 PolarHBondContact O-N 2.96Å; I911-L959 HydrophobicContact CG1-CD1 4.19Å; I911-L959 HydrophobicContact CG2-CD1 4.21Å; I911-V967 HydrophobicContact CD1-CG2 4.41Å; I911-L986 HydrophobicContact CD1-CD1 3.66Å; I911-L986 HydrophobicContact CD1-CD2 4.19Å |
| 912 | E | 93 | Very high | 88.9 | Confident | 49 Ų | 49 | 34.9 Ų | 34.9 | 23% | 0.229 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 121.6 | 158 | -177.7 | 172.8 | -144.8 | 0 | 0 | 107.9 | A903 I904 I906 K953 T954 L955 | A903-E912 CarbonylContact C-O 3.36Å; A903-E912 VanDerWaalsContact CA-O 3.27Å; A903-E912 WeakPolarHBondContact CA-O 3.45Å; I904-E912 PolarHBondContact N-O 3.45Å; I904-E912 PolarHBondContact O-N 2.81Å; I906-E912 HydrophobicContact CD1-CB 3.75Å; I906-E912 HydrophobicContact CG1-CB 4.44Å; E912-K953 IonicContact OE1-NZ 3.52Å; E912-K953 PolarHBondContact OE1-NZ 3.46Å; E912-T954 CarbonylContact C-O 3.48Å; E912-T954 WeakPolarHBondContact CA-O 3.39Å; E912-L955 HydrophobicContact CB-CD2 3.87Å; E912-L955 HydrophobicContact CG-CD2 4.31Å |
| 913 | L | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.9 | 173.7 | -171.3 | 75.6 | 0 | 0 | 0 | 108 | I901 F902 A903 W915 I932 K953 T954 I956 V967 M969 | I901-L913 HydrophobicContact CG2-CD1 3.91Å; I901-L913 HydrophobicContact CG2-CG 4.37Å; F902-L913 CarbonylContact O-C 3.59Å; F902-L913 WeakPolarHBondContact O-CA 3.25Å; A903-L913 HydrophobicContact CB-CD1 3.83Å; L913-W915 HydrophobicContact CB-CZ3 4.22Å; L913-W915 HydrophobicContact CD2-CE3 4.23Å; L913-W915 HydrophobicContact CD2-CZ3 4.09Å; L913-W915 HydrophobicContact CG-CE3 4.07Å; L913-W915 HydrophobicContact CG-CZ3 4.09Å; L913-W915 WeakPolarHBondContact O-CZ3 3.43Å; L913-I932 HydrophobicContact CD2-CD1 3.62Å; L913-I932 HydrophobicContact CD2-CG1 3.87Å; L913-I932 HydrophobicContact CD2-CG2 3.87Å; L913-K953 CarbonylContact O-C 3.56Å; L913-K953 WeakPolarHBondContact O-CA 3.33Å; L913-K953 WeakPolarHBondContact O-CB 3.36Å; L913-T954 PolarHBondContact N-O 2.04Å; L913-T954 PolarHBondContact O-N 2.7Å; L913-I956 HydrophobicContact CB-CD1 4.21Å; L913-I956 HydrophobicContact CD2-CD1 4.08Å; L913-V967 HydrophobicContact CD1-CG1 4.09Å; L913-V967 HydrophobicContact CD2-CG1 3.86Å; L913-M969 HydrophobicContact CD2-CE 4.49Å; L913-M969 HydrophobicContact CD2-CG 4.11Å; L913-M969 HydrophobicContact CD2-SD 3.57Å; L913-M969 VanDerWaalsContact CD2-SD 3.57Å; L913-M969 HydrophobicContact CG-SD 4.24Å |
| 914 | S | 93.8 | Very high | 88.8 | Confident | 14 Ų | 14 | 35 Ų | 35 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.9 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 111.1 | I901 F902 Q952 K953 | I901-S914 WeakPolarHBondContact CA-O 3.32Å; F902-S914 PolarHBondContact N-O 3.03Å; F902-S914 PolarHBondContact O-N 2.86Å; S914-Q952 CarbonylContact C-O 3.55Å; S914-Q952 VanDerWaalsContact CA-O 3.31Å; S914-Q952 WeakPolarHBondContact CA-O 3.36Å; S914-K953 VanDerWaalsContact OG-CB 3.28Å; S914-K953 WeakPolarHBondContact OG-CB 3.39Å |
| 915 | W | 93.4 | Very high | 88.7 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 154.3 | -175 | 57.4 | 90.5 | 0 | 0 | 0 | 112.8 | P898 I901 L913 Y930 I932 L947 E951 Q952 K953 T954 M969 | P898-W915 HydrophobicContact CB-CB 4.08Å; P898-W915 HydrophobicContact CB-CG 4.18Å; I901-W915 HydrophobicContact CB-CB 4.42Å; I901-W915 HydrophobicContact CG1-CB 3.89Å; I901-W915 HydrophobicContact CG2-CB 4.48Å; L913-W915 HydrophobicContact CB-CZ3 4.22Å; L913-W915 HydrophobicContact CD2-CE3 4.23Å; L913-W915 HydrophobicContact CD2-CZ3 4.09Å; L913-W915 HydrophobicContact CG-CE3 4.07Å; L913-W915 HydrophobicContact CG-CZ3 4.09Å; L913-W915 WeakPolarHBondContact O-CZ3 3.43Å; W915-Y930 HydrophobicContact CZ2-CD2 4.23Å; W915-Y930 AromaticContact NE1-CD2 3.5Å; W915-Y930 AromaticContact NE1-CE2 3.45Å; W915-Y930 AromaticContact NE1-CG 3.82Å; W915-Y930 AromaticContact NE1-CZ 3.71Å; W915-I932 HydrophobicContact CH2-CD1 4.35Å; W915-I932 HydrophobicContact CZ3-CD1 4.3Å; W915-L947 HydrophobicContact CH2-CD1 3.34Å; W915-L947 HydrophobicContact CZ2-CD1 3.58Å; W915-L947 HydrophobicContact CZ3-CD1 4.39Å; W915-E951 HydrophobicContact CZ2-CB 4.45Å; W915-E951 WeakPolarHBondContact CZ2-O 3.46Å; W915-E951 PolarHBondContact NE1-O 3.25Å; W915-Q952 PolarHBondContact N-O 2.83Å; W915-K953 VanDerWaalsContact CH2-C 3.45Å; W915-K953 VanDerWaalsContact CH2-CA 3.46Å; W915-T954 HydrophobicContact CH2-CG2 4.08Å; W915-T954 HydrophobicContact CZ3-CG2 4.19Å; W915-M969 HydrophobicContact CB-SD 4.13Å; W915-M969 HydrophobicContact CD2-CE 3.27Å; W915-M969 HydrophobicContact CD2-SD 3.62Å; W915-M969 VanDerWaalsContact CE2-CE 3.47Å; W915-M969 HydrophobicContact CE3-CE 3.44Å; W915-M969 VanDerWaalsContact CE3-CE 3.44Å; W915-M969 HydrophobicContact CE3-SD 3.44Å; W915-M969 HydrophobicContact CG-CE 3.8Å; W915-M969 HydrophobicContact CG-SD 3.91Å; W915-M969 HydrophobicContact CH2-CE 4.05Å; W915-M969 HydrophobicContact CZ2-CE 3.87Å; W915-M969 HydrophobicContact CZ3-CE 3.84Å; W915-M969 HydrophobicContact CZ3-SD 4.15Å |
| 916 | D | 91.5 | Very high | 88.7 | Confident | 61 Ų | 61 | 33.1 Ų | 33.1 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 148.9 | 166.8 | -86.4 | 27.4 | 0 | 0 | 0 | 110.5 | P898 D899 K900 | P898-D916 WeakPolarHBondContact CA-O 3.38Å; P898-D916 WeakPolarHBondContact CB-O 3.43Å; D899-D916 HydrophobicContact CB-CB 4.36Å; D899-D916 PolarHBondContact N-O 3.13Å; D899-D916 PolarHBondContact O-N 3.38Å; K900-D916 HydrophobicContact CB-CB 4.2Å; K900-D916 HydrophobicContact CD-CB 4.33Å; K900-D916 VanDerWaalsContact CD-OD2 3.3Å; K900-D916 WeakPolarHBondContact CD-OD2 3.38Å; K900-D916 WeakPolarHBondContact CE-OD2 3.42Å; K900-D916 HydrophobicContact CG-CB 4.29Å; K900-D916 IonicContact NZ-OD2 3.89Å; K900-D916 PolarHBondContact NZ-OD2 2.86Å |
| 917 | P | 88.5 | Confident | 88.7 | Confident | 48 Ų | 48 | 30.1 Ų | 30.1 | 31% | 0.312 | 17% | 0.167 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 147 | 171.8 | 28.5 | -34.9 | 0 | 0 | 0 | 111.3 | Y930 | P917-Y930 WeakPolarHBondContact CA-OH 3.39Å; P917-Y930 WeakPolarHBondContact CB-OH 3.45Å |
| 918 | P | 89.8 | Confident | 88.8 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 151.8 | 172.4 | 24.4 | -32.8 | 0 | 0 | 0 | 111 | V920 W923 A971 | P918-V920 PolarHBondContact O-N 2.91Å; P918-W923 PolarHBondContact O-NE1 2.8Å; P918-A971 HydrophobicContact CG-CB 3.9Å |
| 919 | P | 87.8 | Confident | 89.1 | Confident | 43 Ų | 43 | 27 Ų | 27 | 28% | 0.279 | 15% | 0.146 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 135.5 | 176.4 | -26.8 | 34.9 | 0 | 0 | 0 | 112.8 | F806 I921 H922 | F806-P919 HydrophobicContact CE2-CB 4.48Å; P919-I921 HydrophobicContact CB-CG1 4.02Å; P919-I921 PolarHBondContact O-N 2.84Å; P919-H922 PolarHBondContact O-N 2.89Å |
| 920 | V | 87.5 | Confident | 89.5 | Confident | 20 Ų | 20 | 24.6 Ų | 24.6 | 12% | 0.121 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -63.3 | -19.6 | -170.5 | -163.5 | 0 | 0 | 0 | 0 | 113.5 | M799 L802 Q803 P918 H922 W923 | M799-V920 HydrophobicContact CB-CG1 4.43Å; M799-V920 HydrophobicContact CG-CG1 3.44Å; M799-V920 VanDerWaalsContact CG-CG1 3.44Å; L802-V920 HydrophobicContact CB-CB 4.33Å; L802-V920 HydrophobicContact CB-CG1 4.29Å; L802-V920 HydrophobicContact CB-CG2 3.85Å; L802-V920 HydrophobicContact CD1-CG2 4.14Å; Q803-V920 HydrophobicContact CG-CB 4.12Å; Q803-V920 HydrophobicContact CG-CG1 3.77Å; Q803-V920 PolarHBondContact NE2-O 3.34Å; P918-V920 PolarHBondContact O-N 2.91Å; V920-H922 VanDerWaalsContact C-N 3.27Å; V920-H922 PolarHBondContact O-N 2.92Å; V920-W923 HydrophobicContact CB-CD2 4.43Å; V920-W923 HydrophobicContact CG1-CD2 3.89Å; V920-W923 HydrophobicContact CG1-CE3 3.91Å; V920-W923 HydrophobicContact CG1-CG 4.44Å; V920-W923 HydrophobicContact CG1-CH2 4.28Å; V920-W923 HydrophobicContact CG1-CZ2 4.26Å; V920-W923 HydrophobicContact CG1-CZ3 4.11Å; V920-W923 HydrophobicContact CG2-CH2 4.43Å; V920-W923 HydrophobicContact CG2-CZ2 3.9Å |
| 921 | I | 86 | Confident | 89.5 | Confident | 48 Ų | 48 | 24.4 Ų | 24.4 | 25% | 0.246 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -63.8 | -30.2 | 170.6 | 54.8 | 164 | 0 | 0 | 0 | 113.1 | F806 R859 P919 | F806-I921 HydrophobicContact CD1-CD1 4.38Å; F806-I921 HydrophobicContact CD1-CG2 3.84Å; F806-I921 HydrophobicContact CE1-CD1 3.7Å; F806-I921 HydrophobicContact CE1-CG1 4.25Å; F806-I921 HydrophobicContact CE1-CG2 4.26Å; F806-I921 HydrophobicContact CG-CG2 4.44Å; F806-I921 HydrophobicContact CZ-CD1 4.16Å; R859-I921 PolarHBondContact NH2-O 3.29Å; P919-I921 HydrophobicContact CB-CG1 4.02Å; P919-I921 PolarHBondContact O-N 2.84Å |
| 922 | H | 89.7 | Confident | 89.5 | Confident | 71 Ų | 71 | 24.4 Ų | 24.4 | 33% | 0.329 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -98.5 | 2.5 | -174 | -63.1 | -42.3 | 0 | 0 | 0 | 114.4 | P894 S895 P919 V920 N924 | P894-H922 WeakPolarHBondContact CA-O 3.28Å; S895-H922 PolarHBondContact N-O 3.36Å; S895-H922 WeakPolarHBondContact OG-CB 3.42Å; S895-H922 PolarHBondContact OG-O 2.77Å; P919-H922 PolarHBondContact O-N 2.89Å; V920-H922 VanDerWaalsContact C-N 3.27Å; V920-H922 PolarHBondContact O-N 2.92Å; H922-N924 VanDerWaalsContact C-N 3.35Å; H922-N924 PolarHBondContact O-ND2 3.24Å |
| 923 | W | 89.6 | Confident | 89.2 | Confident | 34 Ų | 34 | 23 Ų | 23 | 13% | 0.129 | 12% | 0.122 | C | C | . | . | trans | -67.3 | -34.5 | 179.6 | -70.4 | 10.5 | 0 | 0 | 0 | 112.7 | M799 P918 V920 G925 L927 T973 | M799-W923 HydrophobicContact CB-CZ3 4.4Å; M799-W923 HydrophobicContact CG-CE3 3.87Å; M799-W923 HydrophobicContact CG-CZ3 3.97Å; M799-W923 HydrophobicContact SD-CE3 4.01Å; P918-W923 PolarHBondContact O-NE1 2.8Å; V920-W923 HydrophobicContact CB-CD2 4.43Å; V920-W923 HydrophobicContact CG1-CD2 3.89Å; V920-W923 HydrophobicContact CG1-CE3 3.91Å; V920-W923 HydrophobicContact CG1-CG 4.44Å; V920-W923 HydrophobicContact CG1-CH2 4.28Å; V920-W923 HydrophobicContact CG1-CZ2 4.26Å; V920-W923 HydrophobicContact CG1-CZ3 4.11Å; V920-W923 HydrophobicContact CG2-CH2 4.43Å; V920-W923 HydrophobicContact CG2-CZ2 3.9Å; W923-G925 WeakPolarHBondContact CB-O 3.49Å; W923-G925 PolarHBondContact O-N 2.71Å; W923-G925 VanDerWaalsContact O-N 3.09Å; W923-L927 HydrophobicContact CD2-CB 3.84Å; W923-L927 HydrophobicContact CD2-CD2 4.48Å; W923-L927 HydrophobicContact CE3-CB 3.77Å; W923-L927 HydrophobicContact CG-CB 4.39Å; W923-L927 HydrophobicContact CH2-CB 4.37Å; W923-L927 HydrophobicContact CH2-CD2 4.44Å; W923-L927 HydrophobicContact CZ2-CB 4.43Å; W923-L927 HydrophobicContact CZ2-CD2 3.95Å; W923-L927 HydrophobicContact CZ3-CB 4.05Å; W923-T973 WeakPolarHBondContact O-CG2 3.48Å | ||
| 924 | N | 89.9 | Confident | 88.8 | Confident | 17 Ų | 17 | 23.1 Ų | 23.1 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 58.8 | 15.6 | 178.3 | -54.6 | -33.8 | 0 | 0 | 0 | 115.8 | A857 F858 E891 S892 F893 S895 H922 | A857-N924 HydrophobicContact CB-CB 3.75Å; F858-N924 WeakPolarHBondContact CB-O 3.03Å; E891-N924 CarbonylContact C-O 3.45Å; E891-N924 WeakPolarHBondContact CA-O 3.24Å; S892-N924 PolarHBondContact N-O 3.11Å; F893-N924 WeakPolarHBondContact O-CB 3.22Å; F893-N924 PolarHBondContact O-ND2 2.82Å; S895-N924 WeakPolarHBondContact CB-ND2 3.06Å; S895-N924 PolarHBondContact N-ND2 3.5Å; S895-N924 PolarHBondContact OG-ND2 2.88Å; H922-N924 VanDerWaalsContact C-N 3.35Å; H922-N924 PolarHBondContact O-ND2 3.24Å |
| 925 | G | 87.6 | Confident | 88.3 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 168.5 | -176.8 | -176 | 0 | 0 | 0 | 0 | 0 | 108.7 | E891 W923 L927 | E891-G925 WeakPolarHBondContact OE2-CA 3.45Å; W923-G925 WeakPolarHBondContact CB-O 3.49Å; W923-G925 PolarHBondContact O-N 2.71Å; W923-G925 VanDerWaalsContact O-N 3.09Å; G925-L927 PolarHBondContact O-N 2.9Å |
| 926 | L | 87.7 | Confident | 87.6 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | trans | -73.6 | 125 | 168.2 | -74.9 | -172.6 | 0 | 0 | 0 | 110.4 | R795 L796 M799 E891 M928 | R795-L926 HydrophobicContact CB-CD1 4.06Å; R795-L926 HydrophobicContact CB-CD2 4.33Å; L796-L926 HydrophobicContact CD2-CD1 4.09Å; L796-L926 HydrophobicContact CD2-CD2 3.94Å; L796-L926 HydrophobicContact CD2-CG 3.91Å; L796-L926 HydrophobicContact CG-CD1 4.17Å; L796-L926 HydrophobicContact CG-CD2 4.45Å; L796-L926 HydrophobicContact CG-CG 4.5Å; M799-L926 HydrophobicContact CB-CD2 4.29Å; M799-L926 HydrophobicContact SD-CD2 3.91Å; E891-L926 PolarHBondContact OE2-N 2.65Å; L926-M928 HydrophobicContact CB-CE 3.43Å; L926-M928 VanDerWaalsContact CB-CE 3.43Å; L926-M928 WeakPolarHBondContact O-CE 3.5Å; L926-M928 PolarHBondContact O-N 3.25Å | ||
| 927 | L | 87.8 | Confident | 86.8 | Confident | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 114.2 | 174.3 | -178.1 | 69.2 | 0 | 0 | 0 | 109.9 | R795 W923 G925 Y930 Y949 A971 V972 | R795-L927 PolarHBondContact NH2-O 3.19Å; W923-L927 HydrophobicContact CD2-CB 3.84Å; W923-L927 HydrophobicContact CD2-CD2 4.48Å; W923-L927 HydrophobicContact CE3-CB 3.77Å; W923-L927 HydrophobicContact CG-CB 4.39Å; W923-L927 HydrophobicContact CH2-CB 4.37Å; W923-L927 HydrophobicContact CH2-CD2 4.44Å; W923-L927 HydrophobicContact CZ2-CB 4.43Å; W923-L927 HydrophobicContact CZ2-CD2 3.95Å; W923-L927 HydrophobicContact CZ3-CB 4.05Å; G925-L927 PolarHBondContact O-N 2.9Å; L927-Y930 HydrophobicContact CD2-CE1 4.25Å; L927-Y949 WeakPolarHBondContact O-CB 3.41Å; L927-A971 HydrophobicContact CD1-CB 3.75Å; L927-V972 CarbonylContact C-O 3.59Å |
| 928 | M | 85.2 | Confident | 86 | Confident | 66 Ų | 66 | 32.4 Ų | 32.4 | 33% | 0.325 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -34.1 | 179.8 | -66.7 | -61.9 | 109.6 | 0 | 0 | 112.4 | L926 Y949 V972 C974 | L926-M928 HydrophobicContact CB-CE 3.43Å; L926-M928 VanDerWaalsContact CB-CE 3.43Å; L926-M928 WeakPolarHBondContact O-CE 3.5Å; L926-M928 PolarHBondContact O-N 3.25Å; M928-Y949 PolarHBondContact O-N 2.93Å; M928-V972 PolarHBondContact N-O 2.83Å; M928-C974 HydrophobicContact CG-CB 4.26Å |
| 929 | G | 87.9 | Confident | 84.6 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | -161.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L947 V972 | G929-L947 CarbonylContact C-O 3.59Å; G929-L947 WeakPolarHBondContact CA-O 3.34Å; G929-V972 PolarHBondContact N-O 3.23Å; G929-V972 PolarHBondContact O-N 3.31Å |
| 930 | Y | 92.8 | Very high | 83.4 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 152.2 | -179.6 | -53.3 | -76.9 | 0 | 0 | 0 | 110.9 | P898 W915 P917 L927 L947 S948 E951 A970 A971 | P898-Y930 HydrophobicContact CB-CE1 4.44Å; P898-Y930 HydrophobicContact CG-CD1 3.64Å; P898-Y930 HydrophobicContact CG-CE1 3.86Å; W915-Y930 HydrophobicContact CZ2-CD2 4.23Å; W915-Y930 AromaticContact NE1-CD2 3.5Å; W915-Y930 AromaticContact NE1-CE2 3.45Å; W915-Y930 AromaticContact NE1-CG 3.82Å; W915-Y930 AromaticContact NE1-CZ 3.71Å; P917-Y930 WeakPolarHBondContact CA-OH 3.39Å; P917-Y930 WeakPolarHBondContact CB-OH 3.45Å; L927-Y930 HydrophobicContact CD2-CE1 4.25Å; Y930-L947 PolarHBondContact N-O 2.6Å; Y930-L947 PolarHBondContact O-N 3.14Å; Y930-S948 WeakPolarHBondContact CD2-O 3.43Å; Y930-E951 WeakPolarHBondContact CD2-O 3.38Å; Y930-E951 WeakPolarHBondContact CE2-O 3.3Å; Y930-A970 CarbonylContact C-O 3.48Å; Y930-A970 WeakPolarHBondContact CA-O 3.23Å; Y930-A971 HydrophobicContact CD1-CB 4.34Å; Y930-A971 HydrophobicContact CE1-CB 4.4Å |
| 931 | I | 87.5 | Confident | 82.2 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.2 | 168.8 | -62.3 | 172.1 | 0 | 0 | 0 | 108.3 | Y933 F945 M969 A970 V972 I977 | I931-Y933 HydrophobicContact CB-CE2 4.34Å; I931-Y933 HydrophobicContact CG2-CD2 4.32Å; I931-Y933 HydrophobicContact CG2-CE1 4.08Å; I931-Y933 HydrophobicContact CG2-CE2 3.82Å; I931-F945 WeakPolarHBondContact CA-O 3.48Å; I931-M969 CarbonylContact O-C 3.51Å; I931-M969 WeakPolarHBondContact O-CA 3.3Å; I931-A970 PolarHBondContact N-O 2.87Å; I931-A970 PolarHBondContact O-N 3.31Å; I931-V972 HydrophobicContact CD1-CG2 3.73Å; I931-V972 HydrophobicContact CG1-CG2 3.76Å; I931-I977 HydrophobicContact CD1-CD1 3.62Å; I931-I977 HydrophobicContact CD1-CG1 3.84Å; I931-I977 HydrophobicContact CD1-CG2 4.48Å |
| 932 | I | 89.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.3 | 170.2 | -54.3 | 159.9 | 0 | 0 | 0 | 108.3 | L913 W915 V934 N944 F945 L947 T954 I956 V967 Q968 M969 | L913-I932 HydrophobicContact CD2-CD1 3.62Å; L913-I932 HydrophobicContact CD2-CG1 3.87Å; L913-I932 HydrophobicContact CD2-CG2 3.87Å; W915-I932 HydrophobicContact CH2-CD1 4.35Å; W915-I932 HydrophobicContact CZ3-CD1 4.3Å; I932-V934 HydrophobicContact CG2-CG2 3.99Å; I932-N944 CarbonylContact O-C 3.51Å; I932-N944 VanDerWaalsContact O-CA 3.3Å; I932-N944 WeakPolarHBondContact O-CA 3.4Å; I932-F945 HydrophobicContact CB-CB 4.26Å; I932-F945 HydrophobicContact CB-CD2 4.48Å; I932-F945 HydrophobicContact CD1-CB 4.42Å; I932-F945 PolarHBondContact N-O 3.25Å; I932-F945 PolarHBondContact O-N 2.93Å; I932-L947 HydrophobicContact CD1-CD1 3.52Å; I932-L947 HydrophobicContact CG1-CD1 4.16Å; I932-T954 HydrophobicContact CD1-CG2 3.39Å; I932-I956 HydrophobicContact CG2-CD1 4.13Å; I932-V967 HydrophobicContact CG2-CG1 3.57Å; I932-Q968 CarbonylContact C-O 3.3Å; I932-Q968 WeakPolarHBondContact CA-O 3.44Å; I932-M969 HydrophobicContact CD1-CE 4.24Å; I932-M969 HydrophobicContact CG1-CE 3.58Å; I932-M969 HydrophobicContact CG1-CG 4.04Å; I932-M969 HydrophobicContact CG1-SD 4.15Å; I932-M969 HydrophobicContact CG2-CG 4.47Å |
| 933 | Y | 87.3 | Confident | 80.8 | Confident | 20 Ų | 20 | 43 Ų | 43 | 8% | 0.078 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.8 | 169.1 | -57.3 | -88.6 | 0 | 0 | 0 | 108.5 | I931 N944 V967 Q968 A970 I977 R980 | I931-Y933 HydrophobicContact CB-CE2 4.34Å; I931-Y933 HydrophobicContact CG2-CD2 4.32Å; I931-Y933 HydrophobicContact CG2-CE1 4.08Å; I931-Y933 HydrophobicContact CG2-CE2 3.82Å; Y933-N944 WeakPolarHBondContact CD1-OD1 3.41Å; Y933-V967 WeakPolarHBondContact O-CA 3.38Å; Y933-Q968 HydrophobicContact CD2-CB 4.43Å; Y933-Q968 PolarHBondContact N-O 2.86Å; Y933-Q968 PolarHBondContact O-N 2.92Å; Y933-A970 HydrophobicContact CE2-CB 4.26Å; Y933-I977 WeakPolarHBondContact OH-CD1 3.28Å; Y933-R980 HydrophobicContact CD2-CG 4.32Å; Y933-R980 VanDerWaalsContact CE1-NH2 3.28Å; Y933-R980 HydrophobicContact CE2-CG 3.98Å; Y933-R980 VanDerWaalsContact CE2-NE 3.27Å |
| 934 | V | 84.1 | Confident | 80.5 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.5 | 172.2 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | I932 H942 Q943 F945 I956 L959 Y965 F966 V967 | I932-V934 HydrophobicContact CG2-CG2 3.99Å; V934-H942 CarbonylContact O-C 3.52Å; V934-H942 WeakPolarHBondContact O-CA 3.4Å; V934-Q943 HydrophobicContact CB-CB 4.46Å; V934-Q943 PolarHBondContact N-O 3.04Å; V934-Q943 PolarHBondContact O-N 3.44Å; V934-F945 HydrophobicContact CB-CE2 4.32Å; V934-F945 HydrophobicContact CG2-CD2 4.07Å; V934-F945 HydrophobicContact CG2-CE2 3.72Å; V934-I956 HydrophobicContact CG2-CD1 3.92Å; V934-I956 HydrophobicContact CG2-CG2 4.24Å; V934-L959 HydrophobicContact CG1-CD2 4.13Å; V934-Y965 HydrophobicContact CG1-CD1 4.07Å; V934-F966 WeakPolarHBondContact CA-O 3.46Å; V934-V967 HydrophobicContact CG1-CG2 4.49Å; V934-V967 HydrophobicContact CG2-CG2 4.31Å |
| 935 | Y | 83 | Confident | 80.1 | Confident | 56 Ų | 56 | 48 Ų | 48 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 155.9 | 178.4 | 57.4 | -81.7 | 0 | 0 | 0 | 111.1 | N941 Y965 F966 Q968 | Y935-N941 WeakPolarHBondContact CA-O 3.44Å; Y935-Y965 CarbonylContact O-C 3.46Å; Y935-Y965 VanDerWaalsContact O-CA 3.29Å; Y935-Y965 WeakPolarHBondContact O-CA 3.35Å; Y935-F966 HydrophobicContact CD1-CB 4.34Å; Y935-F966 HydrophobicContact CD2-CB 4.08Å; Y935-F966 HydrophobicContact CD2-CD2 4.35Å; Y935-F966 HydrophobicContact CE1-CB 3.9Å; Y935-F966 HydrophobicContact CE2-CB 3.61Å; Y935-F966 HydrophobicContact CE2-CD2 4.02Å; Y935-F966 AromaticContact CE2-CG 3.99Å; Y935-F966 HydrophobicContact CE2-CG 3.99Å; Y935-F966 HydrophobicContact CG-CB 4.41Å; Y935-F966 VanDerWaalsContact CZ-CB 3.49Å; Y935-F966 PolarHBondContact N-O 2.93Å; Y935-F966 PolarHBondContact O-N 2.76Å; Y935-Q968 HydrophobicContact CE1-CG 4.24Å |
| 936 | D | 79.1 | Confident | 80.1 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 170.9 | 171.8 | 56 | -15.5 | 0 | 0 | 0 | 112.3 | D938 A939 S940 N941 T963 I964 Y965 | D936-D938 VanDerWaalsContact C-N 3.29Å; D936-D938 PolarHBondContact O-N 2.96Å; D936-A939 WeakPolarHBondContact O-CA 3.28Å; D936-A939 PolarHBondContact O-N 2.93Å; D936-A939 VanDerWaalsContact OD1-CA 3.26Å; D936-A939 WeakPolarHBondContact OD1-CA 3.31Å; D936-A939 PolarHBondContact OD1-N 2.88Å; D936-S940 PolarHBondContact OD1-N 3.23Å; D936-S940 PolarHBondContact OD2-OG 2.9Å; D936-N941 PolarHBondContact OD1-N 2.94Å; D936-N941 PolarHBondContact OD2-N 2.81Å; D936-T963 HydrophobicContact CB-CG2 3.48Å; D936-T963 VanDerWaalsContact CB-CG2 3.48Å; D936-I964 WeakPolarHBondContact CA-O 3.12Å; D936-Y965 HydrophobicContact CB-CD1 4.37Å; D936-Y965 HydrophobicContact CB-CE1 4.38Å |
| 937 | E | 75.4 | Confident | 80.1 | Confident | 116 Ų | 116 | 54.9 Ų | 54.9 | 54% | 0.542 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -33.9 | -177 | -166.3 | 156.7 | -133.9 | 0 | 0 | 113.8 | A939 I964 F966 | E937-A939 VanDerWaalsContact C-N 3.31Å; E937-I964 HydrophobicContact CB-CB 4.41Å; E937-I964 PolarHBondContact N-O 2.96Å; E937-I964 WeakPolarHBondContact OE2-CD1 3.35Å; E937-F966 HydrophobicContact CB-CE2 4.07Å; E937-F966 HydrophobicContact CG-CE2 4.16Å |
| 938 | D | 70.7 | Confident | 80 | Confident | 142 Ų | 142 | 56.7 Ų | 56.7 | 76% | 0.759 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -3.1 | 173.5 | -58.3 | -60.3 | 0 | 0 | 0 | 113.6 | D936 S940 | D936-D938 VanDerWaalsContact C-N 3.29Å; D936-D938 PolarHBondContact O-N 2.96Å; D938-S940 PolarHBondContact O-N 2.8Å; D938-S940 VanDerWaalsContact O-N 3.12Å |
| 939 | A | 60.7 | Low | 80 | Confident | 59 Ų | 59 | 56.9 Ų | 56.9 | 49% | 0.488 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 52.7 | 21.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D936 E937 | D936-A939 WeakPolarHBondContact O-CA 3.28Å; D936-A939 PolarHBondContact O-N 2.93Å; D936-A939 VanDerWaalsContact OD1-CA 3.26Å; D936-A939 WeakPolarHBondContact OD1-CA 3.31Å; D936-A939 PolarHBondContact OD1-N 2.88Å; E937-A939 VanDerWaalsContact C-N 3.31Å |
| 940 | S | 62.4 | Low | 79.8 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | trans | -69.9 | -32.4 | 179.6 | 88.3 | 0 | 0 | 0 | 0 | 113.3 | D936 D938 | D936-S940 PolarHBondContact OD1-N 3.23Å; D936-S940 PolarHBondContact OD2-OG 2.9Å; D938-S940 PolarHBondContact O-N 2.8Å; D938-S940 VanDerWaalsContact O-N 3.12Å | ||
| 941 | N | 63.1 | Low | 79.5 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -124.4 | 93 | -174.5 | 178.9 | 2.7 | 0 | 0 | 0 | 109.5 | Y935 D936 Q943 | Y935-N941 WeakPolarHBondContact CA-O 3.44Å; D936-N941 PolarHBondContact OD1-N 2.94Å; D936-N941 PolarHBondContact OD2-N 2.81Å; N941-Q943 PolarHBondContact OD1-NE2 3.27Å; N941-Q943 VanDerWaalsContact OD1-NE2 3.14Å |
| 942 | H | 71 | Confident | 79.5 | Confident | 136 Ų | 136 | 68.6 Ų | 68.6 | 63% | 0.63 | 36% | 0.36 | S | S | * | . | trans | -103.5 | 133.9 | 178.9 | 58.2 | -88.6 | 0 | 0 | 0 | 111.3 | V934 | V934-H942 CarbonylContact O-C 3.52Å; V934-H942 WeakPolarHBondContact O-CA 3.4Å | ||
| 943 | Q | 74.2 | Confident | 79.6 | Confident | 62 Ų | 62 | 74.4 Ų | 74.4 | 29% | 0.29 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 131 | -179.8 | -59.5 | -178.4 | 12 | 0 | 0 | 109.9 | V934 N941 F945 | V934-Q943 HydrophobicContact CB-CB 4.46Å; V934-Q943 PolarHBondContact N-O 3.04Å; V934-Q943 PolarHBondContact O-N 3.44Å; N941-Q943 PolarHBondContact OD1-NE2 3.27Å; N941-Q943 VanDerWaalsContact OD1-NE2 3.14Å; Q943-F945 HydrophobicContact CB-CE2 3.85Å; Q943-F945 HydrophobicContact CB-CZ 4.16Å |
| 944 | N | 84.4 | Confident | 79.7 | Confident | 95 Ų | 95 | 75.1 Ų | 75.1 | 51% | 0.508 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.9 | -178.8 | -60.2 | -19.4 | 0 | 0 | 0 | 109.4 | I932 Y933 | I932-N944 CarbonylContact O-C 3.51Å; I932-N944 VanDerWaalsContact O-CA 3.3Å; I932-N944 WeakPolarHBondContact O-CA 3.4Å; Y933-N944 WeakPolarHBondContact CD1-OD1 3.41Å |
| 945 | F | 81.3 | Confident | 80.1 | Confident | 62 Ų | 62 | 79 Ų | 79 | 27% | 0.272 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 118.4 | 177.2 | -56 | -93.4 | 0 | 0 | 0 | 109.3 | I931 I932 V934 Q943 I956 | I931-F945 WeakPolarHBondContact CA-O 3.48Å; I932-F945 HydrophobicContact CB-CB 4.26Å; I932-F945 HydrophobicContact CB-CD2 4.48Å; I932-F945 HydrophobicContact CD1-CB 4.42Å; I932-F945 PolarHBondContact N-O 3.25Å; I932-F945 PolarHBondContact O-N 2.93Å; V934-F945 HydrophobicContact CB-CE2 4.32Å; V934-F945 HydrophobicContact CG2-CD2 4.07Å; V934-F945 HydrophobicContact CG2-CE2 3.72Å; Q943-F945 HydrophobicContact CB-CE2 3.85Å; Q943-F945 HydrophobicContact CB-CZ 4.16Å; F945-I956 HydrophobicContact CE2-CG1 4.47Å; F945-I956 HydrophobicContact CE2-CG2 4.23Å; F945-I956 HydrophobicContact CZ-CG2 4.24Å |
| 946 | N | 87.8 | Confident | 80.3 | Confident | 123 Ų | 123 | 76.4 Ų | 76.4 | 66% | 0.658 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.6 | 177.5 | -61.1 | -9.6 | 0 | 0 | 0 | 109.3 | ||
| 947 | L | 86.2 | Confident | 80.7 | Confident | 24 Ų | 24 | 82.4 Ų | 82.4 | 13% | 0.126 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154.3 | -175.5 | -63.2 | 169.3 | 0 | 0 | 0 | 111.1 | W915 G929 Y930 I932 E951 T954 | W915-L947 HydrophobicContact CH2-CD1 3.34Å; W915-L947 HydrophobicContact CZ2-CD1 3.58Å; W915-L947 HydrophobicContact CZ3-CD1 4.39Å; G929-L947 CarbonylContact C-O 3.59Å; G929-L947 WeakPolarHBondContact CA-O 3.34Å; Y930-L947 PolarHBondContact N-O 2.6Å; Y930-L947 PolarHBondContact O-N 3.14Å; I932-L947 HydrophobicContact CD1-CD1 3.52Å; I932-L947 HydrophobicContact CG1-CD1 4.16Å; L947-E951 HydrophobicContact CB-CB 4.34Å; L947-E951 WeakPolarHBondContact CD2-OE1 3.41Å; L947-T954 HydrophobicContact CD1-CG2 4.01Å |
| 948 | S | 87.6 | Confident | 80.9 | Confident | 41 Ų | 41 | 79.5 Ų | 79.5 | 29% | 0.287 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 158.6 | 173.4 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | Y930 T950 E951 | Y930-S948 WeakPolarHBondContact CD2-O 3.43Å; S948-T950 WeakPolarHBondContact CB-OG1 3.28Å; S948-T950 PolarHBondContact O-N 3.31Å; S948-T950 PolarHBondContact OG-OG1 2.62Å; S948-E951 VanDerWaalsContact CB-OE2 3.31Å; S948-E951 WeakPolarHBondContact CB-OE2 3.47Å; S948-E951 PolarHBondContact N-OE2 2.96Å; S948-E951 PolarHBondContact O-N 2.78Å; S948-E951 VanDerWaalsContact O-N 3.15Å; S948-E951 WeakPolarHBondContact OG-CG 3.43Å; S948-E951 PolarHBondContact OG-OE2 3.37Å |
| 949 | Y | 84.5 | Confident | 81.3 | Confident | 70 Ų | 70 | 72.8 Ų | 72.8 | 28% | 0.275 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.5 | 175.4 | 72.4 | -84.9 | 0 | 0 | 0 | 113.4 | H791 R795 L927 M928 | H791-Y949 PolarHBondContact CE1-OH 2.88Å; H791-Y949 VanDerWaalsContact CE1-OH 3.32Å; H791-Y949 PolarHBondContact NE2-OH 2.76Å; R795-Y949 VanDerWaalsContact CZ-CE1 3.41Å; R795-Y949 PolarHBondContact NE-OH 3.11Å; R795-Y949 VanDerWaalsContact NH2-CD1 3.3Å; R795-Y949 VanDerWaalsContact NH2-CE1 3.35Å; L927-Y949 WeakPolarHBondContact O-CB 3.41Å; M928-Y949 PolarHBondContact O-N 2.93Å |
| 950 | T | 84.4 | Confident | 82 | Confident | 95 Ų | 95 | 73.2 Ų | 73.2 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14 | 175.9 | 34 | 0 | 0 | 0 | 0 | 113.6 | S948 | S948-T950 WeakPolarHBondContact CB-OG1 3.28Å; S948-T950 PolarHBondContact O-N 3.31Å; S948-T950 PolarHBondContact OG-OG1 2.62Å |
| 951 | E | 85.1 | Confident | 82 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 33% | 0.332 | 38% | 0.383 | S | S | . | . | trans | -89.5 | 124.6 | 178.6 | -75.3 | 161.6 | 109.4 | 0 | 0 | 111 | W915 Y930 L947 S948 | W915-E951 HydrophobicContact CZ2-CB 4.45Å; W915-E951 WeakPolarHBondContact CZ2-O 3.46Å; W915-E951 PolarHBondContact NE1-O 3.25Å; Y930-E951 WeakPolarHBondContact CD2-O 3.38Å; Y930-E951 WeakPolarHBondContact CE2-O 3.3Å; L947-E951 HydrophobicContact CB-CB 4.34Å; L947-E951 WeakPolarHBondContact CD2-OE1 3.41Å; S948-E951 VanDerWaalsContact CB-OE2 3.31Å; S948-E951 WeakPolarHBondContact CB-OE2 3.47Å; S948-E951 PolarHBondContact N-OE2 2.96Å; S948-E951 PolarHBondContact O-N 2.78Å; S948-E951 VanDerWaalsContact O-N 3.15Å; S948-E951 WeakPolarHBondContact OG-CG 3.43Å; S948-E951 PolarHBondContact OG-OE2 3.37Å | ||
| 952 | Q | 87.5 | Confident | 82.4 | Confident | 110 Ų | 110 | 78 Ų | 78 | 51% | 0.514 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -112 | -0.8 | 174.6 | -69.8 | 174.2 | -31.6 | 0 | 0 | 112.4 | S914 W915 | S914-Q952 CarbonylContact C-O 3.55Å; S914-Q952 VanDerWaalsContact CA-O 3.31Å; S914-Q952 WeakPolarHBondContact CA-O 3.36Å; W915-Q952 PolarHBondContact N-O 2.83Å |
| 953 | K | 91.5 | Very high | 82.7 | Confident | 122 Ų | 122 | 73.6 Ų | 73.6 | 53% | 0.53 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 154.8 | 175.5 | 66 | -179.4 | -163.9 | 152.2 | 0 | 112.7 | E912 L913 S914 W915 | E912-K953 IonicContact OE1-NZ 3.52Å; E912-K953 PolarHBondContact OE1-NZ 3.46Å; L913-K953 CarbonylContact O-C 3.56Å; L913-K953 WeakPolarHBondContact O-CA 3.33Å; L913-K953 WeakPolarHBondContact O-CB 3.36Å; S914-K953 VanDerWaalsContact OG-CB 3.28Å; S914-K953 WeakPolarHBondContact OG-CB 3.39Å; W915-K953 VanDerWaalsContact CH2-C 3.45Å; W915-K953 VanDerWaalsContact CH2-CA 3.46Å |
| 954 | T | 90.7 | Very high | 83.1 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 171.9 | 175.4 | -160.4 | 0 | 0 | 0 | 0 | 113 | E912 L913 W915 I932 L947 I956 | E912-T954 CarbonylContact C-O 3.48Å; E912-T954 WeakPolarHBondContact CA-O 3.39Å; L913-T954 PolarHBondContact N-O 2.04Å; L913-T954 PolarHBondContact O-N 2.7Å; W915-T954 HydrophobicContact CH2-CG2 4.08Å; W915-T954 HydrophobicContact CZ3-CG2 4.19Å; I932-T954 HydrophobicContact CD1-CG2 3.39Å; L947-T954 HydrophobicContact CD1-CG2 4.01Å; T954-I956 HydrophobicContact CG2-CG1 4.5Å |
| 955 | L | 92.3 | Very high | 83.1 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 45% | 0.445 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 109.4 | -179.1 | -70.3 | 170.4 | 0 | 0 | 0 | 111.8 | I906 I911 E912 | I906-L955 HydrophobicContact CD1-CD2 3.59Å; I911-L955 WeakPolarHBondContact O-CA 3.42Å; E912-L955 HydrophobicContact CB-CD2 3.87Å; E912-L955 HydrophobicContact CG-CD2 4.31Å |
| 956 | I | 87.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.9 | 174.5 | -60.3 | 160 | 0 | 0 | 0 | 108.4 | T910 I911 L913 I932 V934 F945 T954 L959 | T910-I956 VanDerWaalsContact CA-O 3.27Å; T910-I956 WeakPolarHBondContact CA-O 3.16Å; I911-I956 HydrophobicContact CD1-CB 4.32Å; I911-I956 HydrophobicContact CD1-CD1 3.9Å; I911-I956 HydrophobicContact CG1-CB 3.81Å; I911-I956 HydrophobicContact CG1-CD1 4.27Å; I911-I956 PolarHBondContact N-O 2.83Å; I911-I956 PolarHBondContact O-N 2.96Å; L913-I956 HydrophobicContact CB-CD1 4.21Å; L913-I956 HydrophobicContact CD2-CD1 4.08Å; I932-I956 HydrophobicContact CG2-CD1 4.13Å; V934-I956 HydrophobicContact CG2-CD1 3.92Å; V934-I956 HydrophobicContact CG2-CG2 4.24Å; F945-I956 HydrophobicContact CE2-CG1 4.47Å; F945-I956 HydrophobicContact CE2-CG2 4.23Å; F945-I956 HydrophobicContact CZ-CG2 4.24Å; T954-I956 HydrophobicContact CG2-CG1 4.5Å; I956-L959 HydrophobicContact CG2-CD2 4.21Å; I956-L959 HydrophobicContact CG2-CG 4.48Å |
| 957 | K | 86.5 | Confident | 83.3 | Confident | 136 Ų | 136 | 61.1 Ų | 61.1 | 59% | 0.591 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 154.3 | -173.6 | -56.3 | 178.1 | -175.2 | 172.4 | 0 | 110.8 | T910 | T910-K957 HydrophobicContact CG2-CB 4.03Å; T910-K957 HydrophobicContact CG2-CG 3.89Å |
| 958 | G | 80.8 | Confident | 83.4 | Confident | 54 Ų | 54 | 61.4 Ų | 61.4 | 56% | 0.557 | 33% | 0.329 | S | S | * | . | trans | 94 | 14.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T909 T960 | T909-G958 PolarHBondContact O-N 2.86Å; G958-T960 PolarHBondContact O-N 2.85Å | ||
| 959 | L | 79.3 | Confident | 83.4 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | trans | -70.2 | 114 | 179.9 | -58.4 | 176.8 | 0 | 0 | 0 | 110.8 | W905 T909 I911 V934 I956 Y965 L986 R991 | W905-L959 HydrophobicContact CH2-CD1 3.79Å; W905-L959 HydrophobicContact CZ3-CB 4.5Å; W905-L959 HydrophobicContact CZ3-CD1 3.73Å; T909-L959 WeakPolarHBondContact CA-O 3.42Å; T909-L959 PolarHBondContact O-N 2.79Å; I911-L959 HydrophobicContact CG1-CD1 4.19Å; I911-L959 HydrophobicContact CG2-CD1 4.21Å; V934-L959 HydrophobicContact CG1-CD2 4.13Å; I956-L959 HydrophobicContact CG2-CD2 4.21Å; I956-L959 HydrophobicContact CG2-CG 4.48Å; L959-Y965 HydrophobicContact CB-CD2 4.22Å; L959-Y965 HydrophobicContact CB-CE2 3.9Å; L959-Y965 HydrophobicContact CD2-CD1 4.03Å; L959-Y965 HydrophobicContact CD2-CD2 3.98Å; L959-Y965 HydrophobicContact CD2-CE1 4.06Å; L959-Y965 HydrophobicContact CD2-CE2 4.03Å; L959-Y965 HydrophobicContact CD2-CG 3.96Å; L959-L986 HydrophobicContact CD1-CD1 3.83Å; L959-R991 PolarHBondContact O-NH1 2.94Å | ||
| 960 | T | 75.4 | Confident | 83.5 | Confident | 68 Ų | 68 | 56.1 Ų | 56.1 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | trans | -63.5 | 146.1 | -176.8 | 68.7 | 0 | 0 | 0 | 0 | 111.6 | G958 K962 T963 Y965 R991 | G958-T960 PolarHBondContact O-N 2.85Å; T960-K962 VanDerWaalsContact C-N 3.33Å; T960-K962 PolarHBondContact O-N 3.03Å; T960-T963 PolarHBondContact OG1-OG1 3.21Å; T960-T963 VanDerWaalsContact OG1-OG1 3.13Å; T960-Y965 PolarHBondContact N-OH 2.93Å; T960-Y965 VanDerWaalsContact N-OH 3.09Å; T960-Y965 PolarHBondContact OG1-OH 2.89Å; T960-R991 PolarHBondContact O-NH1 3.31Å; T960-R991 PolarHBondContact O-NH2 2.96Å | ||
| 961 | G | 61.5 | Low | 83.6 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -68 | -18.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 962 | K | 71.3 | Confident | 83.7 | Confident | 197 Ų | 197 | 49.4 Ų | 49.4 | 86% | 0.857 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -106.8 | -23.7 | -173.5 | -68.2 | -174.5 | 177.2 | -177.7 | 0 | 114.6 | T960 P988 | T960-K962 VanDerWaalsContact C-N 3.33Å; T960-K962 PolarHBondContact O-N 3.03Å; K962-P988 WeakPolarHBondContact O-CG 3.27Å |
| 963 | T | 77.5 | Confident | 83.7 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | trans | -81.7 | 142.7 | -169.2 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | D936 T960 Y965 R991 | D936-T963 HydrophobicContact CB-CG2 3.48Å; D936-T963 VanDerWaalsContact CB-CG2 3.48Å; T960-T963 PolarHBondContact OG1-OG1 3.21Å; T960-T963 VanDerWaalsContact OG1-OG1 3.13Å; T963-Y965 HydrophobicContact CG2-CE2 4.3Å; T963-R991 PolarHBondContact O-NH2 2.84Å | ||
| 964 | I | 83.7 | Confident | 83.3 | Confident | 39 Ų | 39 | 40.6 Ų | 40.6 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | trans | -78.5 | 125.4 | 165 | -70.8 | 172.8 | 0 | 0 | 0 | 107.6 | D936 E937 F966 Q985 P988 | D936-I964 WeakPolarHBondContact CA-O 3.12Å; E937-I964 HydrophobicContact CB-CB 4.41Å; E937-I964 PolarHBondContact N-O 2.96Å; E937-I964 WeakPolarHBondContact OE2-CD1 3.35Å; I964-F966 HydrophobicContact CG2-CD2 4.4Å; I964-F966 HydrophobicContact CG2-CE2 3.75Å; I964-F966 HydrophobicContact CG2-CZ 3.96Å; I964-Q985 HydrophobicContact CG2-CG 3.7Å; I964-P988 HydrophobicContact CG1-CG 4.24Å | ||
| 965 | Y | 82.7 | Confident | 82.9 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 153.2 | 174.2 | -71.7 | -87.9 | 0 | 0 | 0 | 110.7 | V934 Y935 D936 L959 T960 T963 L986 | V934-Y965 HydrophobicContact CG1-CD1 4.07Å; Y935-Y965 CarbonylContact O-C 3.46Å; Y935-Y965 VanDerWaalsContact O-CA 3.29Å; Y935-Y965 WeakPolarHBondContact O-CA 3.35Å; D936-Y965 HydrophobicContact CB-CD1 4.37Å; D936-Y965 HydrophobicContact CB-CE1 4.38Å; L959-Y965 HydrophobicContact CB-CD2 4.22Å; L959-Y965 HydrophobicContact CB-CE2 3.9Å; L959-Y965 HydrophobicContact CD2-CD1 4.03Å; L959-Y965 HydrophobicContact CD2-CD2 3.98Å; L959-Y965 HydrophobicContact CD2-CE1 4.06Å; L959-Y965 HydrophobicContact CD2-CE2 4.03Å; L959-Y965 HydrophobicContact CD2-CG 3.96Å; T960-Y965 PolarHBondContact N-OH 2.93Å; T960-Y965 VanDerWaalsContact N-OH 3.09Å; T960-Y965 PolarHBondContact OG1-OH 2.89Å; T963-Y965 HydrophobicContact CG2-CE2 4.3Å; Y965-L986 WeakPolarHBondContact O-CB 3.26Å; Y965-L986 PolarHBondContact O-N 3.46Å |
| 966 | F | 88 | Confident | 82.3 | Confident | 36 Ų | 36 | 38.8 Ų | 38.8 | 16% | 0.158 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.8 | 174 | -65 | -89.5 | 0 | 0 | 0 | 109.4 | V934 Y935 E937 I964 P983 I984 Q985 | V934-F966 WeakPolarHBondContact CA-O 3.46Å; Y935-F966 HydrophobicContact CD1-CB 4.34Å; Y935-F966 HydrophobicContact CD2-CB 4.08Å; Y935-F966 HydrophobicContact CD2-CD2 4.35Å; Y935-F966 HydrophobicContact CE1-CB 3.9Å; Y935-F966 HydrophobicContact CE2-CB 3.61Å; Y935-F966 HydrophobicContact CE2-CD2 4.02Å; Y935-F966 AromaticContact CE2-CG 3.99Å; Y935-F966 HydrophobicContact CE2-CG 3.99Å; Y935-F966 HydrophobicContact CG-CB 4.41Å; Y935-F966 VanDerWaalsContact CZ-CB 3.49Å; Y935-F966 PolarHBondContact N-O 2.93Å; Y935-F966 PolarHBondContact O-N 2.76Å; E937-F966 HydrophobicContact CB-CE2 4.07Å; E937-F966 HydrophobicContact CG-CE2 4.16Å; I964-F966 HydrophobicContact CG2-CD2 4.4Å; I964-F966 HydrophobicContact CG2-CE2 3.75Å; I964-F966 HydrophobicContact CG2-CZ 3.96Å; F966-P983 HydrophobicContact CB-CB 4.33Å; F966-P983 HydrophobicContact CD1-CB 4.16Å; F966-I984 WeakPolarHBondContact CA-O 3.48Å; F966-Q985 HydrophobicContact CD1-CB 4.03Å; F966-Q985 HydrophobicContact CD1-CG 4.09Å; F966-Q985 HydrophobicContact CE1-CB 3.84Å; F966-Q985 HydrophobicContact CE1-CG 3.58Å; F966-Q985 HydrophobicContact CZ-CG 3.96Å |
| 967 | V | 85.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.2 | 178.1 | -175.3 | 0 | 0 | 0 | 0 | 110.2 | I911 L913 I932 Y933 V934 P983 I984 L986 | I911-V967 HydrophobicContact CD1-CG2 4.41Å; L913-V967 HydrophobicContact CD1-CG1 4.09Å; L913-V967 HydrophobicContact CD2-CG1 3.86Å; I932-V967 HydrophobicContact CG2-CG1 3.57Å; Y933-V967 WeakPolarHBondContact O-CA 3.38Å; V934-V967 HydrophobicContact CG1-CG2 4.49Å; V934-V967 HydrophobicContact CG2-CG2 4.31Å; V967-P983 CarbonylContact O-C 3.55Å; V967-P983 WeakPolarHBondContact O-CA 3.38Å; V967-I984 PolarHBondContact N-O 2.89Å; V967-I984 PolarHBondContact O-N 3.31Å; V967-L986 HydrophobicContact CG2-CD1 3.62Å; V967-L986 HydrophobicContact CG2-CD2 4.25Å; V967-L986 HydrophobicContact CG2-CG 3.91Å |
| 968 | Q | 88.5 | Confident | 81.9 | Confident | 30 Ų | 30 | 36.5 Ų | 36.5 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151.2 | 169.6 | -65.3 | -172.6 | -66.7 | 0 | 0 | 110.5 | I932 Y933 Y935 S981 P983 | I932-Q968 CarbonylContact C-O 3.3Å; I932-Q968 WeakPolarHBondContact CA-O 3.44Å; Y933-Q968 HydrophobicContact CD2-CB 4.43Å; Y933-Q968 PolarHBondContact N-O 2.86Å; Y933-Q968 PolarHBondContact O-N 2.92Å; Y935-Q968 HydrophobicContact CE1-CG 4.24Å; Q968-S981 WeakPolarHBondContact CA-OG 3.3Å; Q968-S981 PolarHBondContact NE2-O 3.32Å; Q968-P983 HydrophobicContact CG-CB 3.8Å |
| 969 | M | 88.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.3 | 172.9 | -59.2 | -164.8 | 62.7 | 0 | 0 | 111.9 | P898 I901 L913 W915 I931 I932 R980 S981 | P898-M969 HydrophobicContact CG-CB 4.04Å; I901-M969 HydrophobicContact CD1-CB 3.9Å; I901-M969 HydrophobicContact CD1-CG 4.07Å; I901-M969 HydrophobicContact CD1-SD 4.24Å; I901-M969 HydrophobicContact CG1-SD 4.35Å; I901-M969 HydrophobicContact CG2-CG 4.34Å; I901-M969 HydrophobicContact CG2-SD 3.82Å; L913-M969 HydrophobicContact CD2-CE 4.49Å; L913-M969 HydrophobicContact CD2-CG 4.11Å; L913-M969 HydrophobicContact CD2-SD 3.57Å; L913-M969 VanDerWaalsContact CD2-SD 3.57Å; L913-M969 HydrophobicContact CG-SD 4.24Å; W915-M969 HydrophobicContact CB-SD 4.13Å; W915-M969 HydrophobicContact CD2-CE 3.27Å; W915-M969 HydrophobicContact CD2-SD 3.62Å; W915-M969 VanDerWaalsContact CE2-CE 3.47Å; W915-M969 HydrophobicContact CE3-CE 3.44Å; W915-M969 VanDerWaalsContact CE3-CE 3.44Å; W915-M969 HydrophobicContact CE3-SD 3.44Å; W915-M969 HydrophobicContact CG-CE 3.8Å; W915-M969 HydrophobicContact CG-SD 3.91Å; W915-M969 HydrophobicContact CH2-CE 4.05Å; W915-M969 HydrophobicContact CZ2-CE 3.87Å; W915-M969 HydrophobicContact CZ3-CE 3.84Å; W915-M969 HydrophobicContact CZ3-SD 4.15Å; I931-M969 CarbonylContact O-C 3.51Å; I931-M969 WeakPolarHBondContact O-CA 3.3Å; I932-M969 HydrophobicContact CD1-CE 4.24Å; I932-M969 HydrophobicContact CG1-CE 3.58Å; I932-M969 HydrophobicContact CG1-CG 4.04Å; I932-M969 HydrophobicContact CG1-SD 4.15Å; I932-M969 HydrophobicContact CG2-CG 4.47Å; M969-R980 CarbonylContact O-C 3.55Å; M969-R980 WeakPolarHBondContact O-CA 3.18Å; M969-S981 PolarHBondContact N-OG 3.39Å; M969-S981 PolarHBondContact O-N 2.99Å |
| 970 | A | 85.2 | Confident | 82.3 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 144.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y930 I931 Y933 I977 R980 | Y930-A970 CarbonylContact C-O 3.48Å; Y930-A970 WeakPolarHBondContact CA-O 3.23Å; I931-A970 PolarHBondContact N-O 2.87Å; I931-A970 PolarHBondContact O-N 3.31Å; Y933-A970 HydrophobicContact CE2-CB 4.26Å; A970-I977 HydrophobicContact CB-CG2 3.52Å; A970-R980 HydrophobicContact CB-CG 4.1Å |
| 971 | A | 88.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 151.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P894 P918 L927 Y930 G978 | P894-A971 HydrophobicContact CB-CB 3.81Å; P894-A971 HydrophobicContact CG-CB 3.86Å; P918-A971 HydrophobicContact CG-CB 3.9Å; L927-A971 HydrophobicContact CD1-CB 3.75Å; Y930-A971 HydrophobicContact CD1-CB 4.34Å; Y930-A971 HydrophobicContact CE1-CB 4.4Å; A971-G978 WeakPolarHBondContact O-CA 3.47Å; A971-G978 PolarHBondContact O-N 2.84Å |
| 972 | V | 87.3 | Confident | 83.9 | Confident | 26 Ų | 26 | 42 Ų | 42 | 16% | 0.158 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129 | -174.8 | -180 | 0 | 0 | 0 | 0 | 111.1 | L927 M928 G929 I931 G976 I977 | L927-V972 CarbonylContact C-O 3.59Å; M928-V972 PolarHBondContact N-O 2.83Å; G929-V972 PolarHBondContact N-O 3.23Å; G929-V972 PolarHBondContact O-N 3.31Å; I931-V972 HydrophobicContact CD1-CG2 3.73Å; I931-V972 HydrophobicContact CG1-CG2 3.76Å; V972-G976 WeakPolarHBondContact CA-O 3.22Å; V972-I977 HydrophobicContact CG2-CG1 4.48Å; V972-I977 HydrophobicContact CG2-CG2 4.46Å |
| 973 | T | 87.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 176.1 | 161.9 | 55.3 | 0 | 0 | 0 | 0 | 110 | S892 P894 W923 K975 G976 | S892-T973 PolarHBondContact O-OG1 3.38Å; P894-T973 HydrophobicContact CG-CG2 3.86Å; W923-T973 WeakPolarHBondContact O-CG2 3.48Å; T973-K975 PolarHBondContact O-N 3.19Å; T973-K975 VanDerWaalsContact O-N 3.11Å; T973-K975 PolarHBondContact OG1-N 3.11Å; T973-G976 PolarHBondContact N-O 2.94Å; T973-G976 PolarHBondContact O-N 3.45Å |
| 974 | C | 81.9 | Confident | 84.9 | Confident | 45 Ų | 45 | 34.5 Ų | 34.5 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -13.7 | 172.5 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | C780 S781 E891 M928 | C780-C974 VanDerWaalsContact CA-SG 3.53Å; C780-C974 HydrophobicContact CB-CB 3.64Å; C780-C974 WeakPolarHBondContact CB-SG 3.48Å; C780-C974 WeakPolarHBondContact SG-CB 3.32Å; C780-C974 PolarHBondContact SG-O 2.89Å; C780-C974 CovalentContact SG-SG 2.04Å; C780-C974 PolarHBondContact SG-SG 2.85Å; S781-C974 PolarHBondContact N-SG 2.95Å; E891-C974 PolarHBondContact OE2-SG 2.96Å; M928-C974 HydrophobicContact CG-CB 4.26Å |
| 975 | K | 82.9 | Confident | 85 | Confident | 59 Ų | 59 | 35.7 Ų | 35.7 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -24.5 | 170 | -70.8 | -65 | -167.4 | 174.4 | 0 | 113 | R777 M778 E891 F893 T973 | R777-K975 PolarHBondContact O-NZ 3.44Å; M778-K975 WeakPolarHBondContact O-CE 3.32Å; M778-K975 PolarHBondContact O-NZ 3.07Å; E891-K975 HydrophobicContact CB-CD 4.49Å; E891-K975 HydrophobicContact CB-CG 3.84Å; E891-K975 WeakPolarHBondContact O-CE 3.41Å; F893-K975 HydrophobicContact CD1-CB 4.36Å; F893-K975 HydrophobicContact CE1-CB 4.38Å; F893-K975 WeakPolarHBondContact CE1-O 3.44Å; T973-K975 PolarHBondContact O-N 3.19Å; T973-K975 VanDerWaalsContact O-N 3.11Å; T973-K975 PolarHBondContact OG1-N 3.11Å |
| 976 | G | 79.6 | Confident | 85.2 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 22% | 0.216 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.2 | -155.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V972 T973 | V972-G976 WeakPolarHBondContact CA-O 3.22Å; T973-G976 PolarHBondContact N-O 2.94Å; T973-G976 PolarHBondContact O-N 3.45Å |
| 977 | I | 82 | Confident | 84.9 | Confident | 74 Ų | 74 | 37.3 Ų | 37.3 | 38% | 0.379 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 128.6 | -168.8 | -43.5 | 179.1 | 0 | 0 | 0 | 110.2 | F893 I931 Y933 A970 V972 | F893-I977 WeakPolarHBondContact CD1-O 3.46Å; I931-I977 HydrophobicContact CD1-CD1 3.62Å; I931-I977 HydrophobicContact CD1-CG1 3.84Å; I931-I977 HydrophobicContact CD1-CG2 4.48Å; Y933-I977 WeakPolarHBondContact OH-CD1 3.28Å; A970-I977 HydrophobicContact CB-CG2 3.52Å; V972-I977 HydrophobicContact CG2-CG1 4.48Å; V972-I977 HydrophobicContact CG2-CG2 4.46Å |
| 978 | G | 83.2 | Confident | 84.6 | Confident | 14 Ų | 14 | 39 Ų | 39 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -164.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P894 A971 | P894-G978 WeakPolarHBondContact O-CA 3.11Å; A971-G978 WeakPolarHBondContact O-CA 3.47Å; A971-G978 PolarHBondContact O-N 2.84Å |
| 979 | V | 83.9 | Confident | 84.2 | Confident | 75 Ų | 75 | 43.8 Ų | 43.8 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 136.9 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 111 | P894 | P894-V979 PolarHBondContact O-N 3.07Å |
| 980 | R | 84.8 | Confident | 83.7 | Confident | 124 Ų | 124 | 44.3 Ų | 44.3 | 47% | 0.468 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 144.6 | 172.3 | -68.8 | -177.3 | -174.3 | 174.9 | 4.1 | 111.3 | Y933 M969 A970 | Y933-R980 HydrophobicContact CD2-CG 4.32Å; Y933-R980 VanDerWaalsContact CE1-NH2 3.28Å; Y933-R980 HydrophobicContact CE2-CG 3.98Å; Y933-R980 VanDerWaalsContact CE2-NE 3.27Å; M969-R980 CarbonylContact O-C 3.55Å; M969-R980 WeakPolarHBondContact O-CA 3.18Å; A970-R980 HydrophobicContact CB-CG 4.1Å |
| 981 | S | 88.2 | Confident | 83.3 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 165.3 | 172.9 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | Q968 M969 | Q968-S981 WeakPolarHBondContact CA-OG 3.3Å; Q968-S981 PolarHBondContact NE2-O 3.32Å; M969-S981 PolarHBondContact N-OG 3.39Å; M969-S981 PolarHBondContact O-N 2.99Å |
| 982 | A | 81.7 | Confident | 82.8 | Confident | 81 Ų | 81 | 52.3 Ų | 52.3 | 67% | 0.669 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 143.8 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I984 | A982-I984 PolarHBondContact O-N 3.39Š|
| 983 | P | 84.1 | Confident | 82.5 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 121.9 | -179.2 | 29.9 | -34 | 0 | 0 | 0 | 111.8 | F966 V967 Q968 | F966-P983 HydrophobicContact CB-CB 4.33Å; F966-P983 HydrophobicContact CD1-CB 4.16Å; V967-P983 CarbonylContact O-C 3.55Å; V967-P983 WeakPolarHBondContact O-CA 3.38Å; Q968-P983 HydrophobicContact CG-CB 3.8Å |
| 984 | I | 86.1 | Confident | 82.1 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 11% | 0.108 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.3 | 174.1 | -59.2 | 178.2 | 0 | 0 | 0 | 108.9 | I901 F966 V967 A982 L986 V997 | I901-I984 HydrophobicContact CB-CD1 3.91Å; I901-I984 HydrophobicContact CG2-CD1 3.54Å; I901-I984 WeakPolarHBondContact O-CD1 3.48Å; F966-I984 WeakPolarHBondContact CA-O 3.48Å; V967-I984 PolarHBondContact N-O 2.89Å; V967-I984 PolarHBondContact O-N 3.31Å; A982-I984 PolarHBondContact O-N 3.39Å; I984-L986 HydrophobicContact CG2-CD2 4.29Å; I984-L986 PolarHBondContact O-N 2.83Å; I984-V997 HydrophobicContact CG2-CB 4.06Å; I984-V997 HydrophobicContact CG2-CG2 3.61Å |
| 985 | Q | 86.4 | Confident | 82.3 | Confident | 64 Ų | 64 | 61 Ų | 61 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 112.4 | -178.9 | -168 | -179.7 | 37.4 | 0 | 0 | 111.9 | I964 F966 K987 | I964-Q985 HydrophobicContact CG2-CG 3.7Å; F966-Q985 HydrophobicContact CD1-CB 4.03Å; F966-Q985 HydrophobicContact CD1-CG 4.09Å; F966-Q985 HydrophobicContact CE1-CB 3.84Å; F966-Q985 HydrophobicContact CE1-CG 3.58Å; F966-Q985 HydrophobicContact CZ-CG 3.96Å; Q985-K987 HydrophobicContact CG-CG 4.1Å; Q985-K987 PolarHBondContact O-N 3.36Å |
| 986 | L | 85.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 80.8 | 177.7 | -54.9 | -171.3 | 0 | 0 | 0 | 111 | A903 W905 I911 L959 Y965 V967 I984 V997 | A903-L986 HydrophobicContact CB-CD2 4.03Å; W905-L986 HydrophobicContact CH2-CB 4.31Å; W905-L986 HydrophobicContact CZ2-CB 3.84Å; I911-L986 HydrophobicContact CD1-CD1 3.66Å; I911-L986 HydrophobicContact CD1-CD2 4.19Å; L959-L986 HydrophobicContact CD1-CD1 3.83Å; Y965-L986 WeakPolarHBondContact O-CB 3.26Å; Y965-L986 PolarHBondContact O-N 3.46Å; V967-L986 HydrophobicContact CG2-CD1 3.62Å; V967-L986 HydrophobicContact CG2-CD2 4.25Å; V967-L986 HydrophobicContact CG2-CG 3.91Å; I984-L986 HydrophobicContact CG2-CD2 4.29Å; I984-L986 PolarHBondContact O-N 2.83Å; L986-V997 HydrophobicContact CD2-CG2 3.64Å |
| 987 | K | 81.7 | Confident | 82.5 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 33% | 0.326 | 31% | 0.31 | S | S | . | . | trans | -69.7 | 138.2 | -178.6 | -65.2 | -170.4 | 177.7 | -173.6 | 0 | 113.3 | Q985 D989 L990 | Q985-K987 HydrophobicContact CG-CG 4.1Å; Q985-K987 PolarHBondContact O-N 3.36Å; K987-D989 VanDerWaalsContact C-N 3.28Å; K987-D989 PolarHBondContact O-N 3.13Å; K987-L990 HydrophobicContact CB-CG 4.49Å; K987-L990 PolarHBondContact O-N 3.49Å | ||
| 988 | P | 80.2 | Confident | 82.6 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -51.3 | -39.2 | 173.9 | -30.2 | 35.8 | 0 | 0 | 0 | 115.2 | K962 I964 L990 R991 | K962-P988 WeakPolarHBondContact O-CG 3.27Å; I964-P988 HydrophobicContact CG1-CG 4.24Å; P988-L990 PolarHBondContact O-N 3.49Å; P988-L990 VanDerWaalsContact O-N 3.15Å; P988-R991 VanDerWaalsContact O-CB 3.26Å; P988-R991 WeakPolarHBondContact O-CB 3.24Å; P988-R991 VanDerWaalsContact O-CG 3.25Å; P988-R991 WeakPolarHBondContact O-CG 3.36Å; P988-R991 PolarHBondContact O-N 3.47Å; P988-R991 VanDerWaalsContact O-N 3.14Å |
| 989 | D | 78.9 | Confident | 82.6 | Confident | 130 Ų | 130 | 60 Ų | 60 | 70% | 0.695 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -64.1 | -23.8 | -175.3 | -47.9 | -54 | 0 | 0 | 0 | 113.7 | K987 | K987-D989 VanDerWaalsContact C-N 3.28Å; K987-D989 PolarHBondContact O-N 3.13Å |
| 990 | L | 77.2 | Confident | 82.4 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -92 | 2.8 | -177.9 | -58.5 | -177.5 | 0 | 0 | 0 | 113.2 | K987 P988 K992 L995 V997 | K987-L990 HydrophobicContact CB-CG 4.49Å; K987-L990 PolarHBondContact O-N 3.49Å; P988-L990 PolarHBondContact O-N 3.49Å; P988-L990 VanDerWaalsContact O-N 3.15Å; L990-K992 PolarHBondContact O-N 2.66Å; L990-L995 HydrophobicContact CD2-CD1 4.45Å; L990-L995 WeakPolarHBondContact O-CB 3.48Å; L990-V997 HydrophobicContact CD1-CG1 3.47Å; L990-V997 VanDerWaalsContact CD1-CG1 3.47Å |
| 991 | R | 76.9 | Confident | 82.3 | Confident | 27 Ų | 27 | 51.8 Ų | 51.8 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | trans | -72.6 | 54.2 | -178.2 | -67.7 | 178.4 | -179.8 | -134.5 | 17.6 | 114.2 | W905 N908 L959 T960 T963 P988 | W905-R991 HydrophobicContact CD2-CB 4.35Å; W905-R991 HydrophobicContact CD2-CG 3.92Å; W905-R991 HydrophobicContact CE3-CB 4.48Å; W905-R991 HydrophobicContact CE3-CG 3.98Å; W905-R991 HydrophobicContact CH2-CG 3.57Å; W905-R991 HydrophobicContact CZ2-CG 3.46Å; W905-R991 VanDerWaalsContact CZ2-CG 3.46Å; W905-R991 HydrophobicContact CZ3-CG 3.81Å; N908-R991 PolarHBondContact O-NH1 2.9Å; L959-R991 PolarHBondContact O-NH1 2.94Å; T960-R991 PolarHBondContact O-NH1 3.31Å; T960-R991 PolarHBondContact O-NH2 2.96Å; T963-R991 PolarHBondContact O-NH2 2.84Å; P988-R991 VanDerWaalsContact O-CB 3.26Å; P988-R991 WeakPolarHBondContact O-CB 3.24Å; P988-R991 VanDerWaalsContact O-CG 3.25Å; P988-R991 WeakPolarHBondContact O-CG 3.36Å; P988-R991 PolarHBondContact O-N 3.47Å; P988-R991 VanDerWaalsContact O-N 3.14Å | ||
| 992 | K | 78.6 | Confident | 81.9 | Confident | 140 Ų | 140 | 54 Ų | 54 | 61% | 0.609 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -121.3 | 137.1 | 175.7 | -62.1 | 175 | -176.8 | 170.9 | 0 | 109.1 | L990 G994 L995 | L990-K992 PolarHBondContact O-N 2.66Å; K992-G994 PolarHBondContact O-N 3.47Å; K992-L995 HydrophobicContact CB-CD1 3.87Å; K992-L995 HydrophobicContact CB-CG 4.1Å; K992-L995 HydrophobicContact CD-CD1 4.29Å; K992-L995 HydrophobicContact CG-CD1 4.42Å; K992-L995 WeakPolarHBondContact O-CB 3.37Å; K992-L995 PolarHBondContact O-N 3.46Å |
| 993 | K | 81.8 | Confident | 81.5 | Confident | 177 Ų | 177 | 56.4 Ų | 56.4 | 77% | 0.77 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 123.9 | -175.7 | -176 | 173.7 | -179.7 | 179.7 | 0 | 111 | W905 I906 | W905-K993 WeakPolarHBondContact O-CA 3.3Å; I906-K993 WeakPolarHBondContact O-CG 3.24Å |
| 994 | G | 78.2 | Confident | 81.1 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 2.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | W905 K992 | W905-G994 PolarHBondContact O-N 3.21Å; K992-G994 PolarHBondContact O-N 3.47Å |
| 995 | L | 85.4 | Confident | 80.9 | Confident | 30 Ų | 30 | 64 Ų | 64 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | trans | -85.9 | 147.4 | 159.5 | -60.7 | -173.4 | 0 | 0 | 0 | 109.9 | W905 L990 K992 G1006 K1007 | W905-L995 PolarHBondContact N-O 2.87Å; L990-L995 HydrophobicContact CD2-CD1 4.45Å; L990-L995 WeakPolarHBondContact O-CB 3.48Å; K992-L995 HydrophobicContact CB-CD1 3.87Å; K992-L995 HydrophobicContact CB-CG 4.1Å; K992-L995 HydrophobicContact CD-CD1 4.29Å; K992-L995 HydrophobicContact CG-CD1 4.42Å; K992-L995 WeakPolarHBondContact O-CB 3.37Å; K992-L995 PolarHBondContact O-N 3.46Å; L995-G1006 CarbonylContact C-O 3.53Å; L995-G1006 VanDerWaalsContact CA-O 3.23Å; L995-G1006 WeakPolarHBondContact CA-O 3.03Å; L995-G1006 WeakPolarHBondContact CB-O 3.01Å; L995-K1007 HydrophobicContact CD2-CG 4.02Å | ||
| 996 | G | 83 | Confident | 80.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 174.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A903 F1001 G1006 | A903-G996 CarbonylContact O-C 3.57Å; A903-G996 WeakPolarHBondContact O-CA 3.37Å; G996-F1001 VanDerWaalsContact C-CG 3.46Å; G996-F1001 WeakPolarHBondContact O-CB 3.29Å; G996-G1006 PolarHBondContact N-O 2.88Å; G996-G1006 CarbonylContact O-C 3.6Å; G996-G1006 WeakPolarHBondContact O-CA 3.25Å |
| 997 | V | 85.2 | Confident | 80.2 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.7 | -178.9 | -72.5 | 0 | 0 | 0 | 0 | 110.1 | F902 A903 I984 L986 L990 | F902-V997 CarbonylContact C-O 3.52Å; F902-V997 WeakPolarHBondContact CA-O 3.48Å; A903-V997 HydrophobicContact CB-CG2 4.17Å; A903-V997 PolarHBondContact N-O 2.82Å; A903-V997 PolarHBondContact O-N 3.38Å; I984-V997 HydrophobicContact CG2-CB 4.06Å; I984-V997 HydrophobicContact CG2-CG2 3.61Å; L986-V997 HydrophobicContact CD2-CG2 3.64Å; L990-V997 HydrophobicContact CD1-CG1 3.47Å; L990-V997 VanDerWaalsContact CD1-CG1 3.47Å |
| 998 | G | 83.4 | Confident | 79.8 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 32% | 0.32 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.7 | -153.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112 | G1000 F1001 | G998-G1000 PolarHBondContact O-N 2.79Å; G998-F1001 PolarHBondContact O-N 3.04Å; G998-F1001 VanDerWaalsContact O-N 3.14Å |
| 999 | W | 82.1 | Confident | 79.1 | Confident | 106 Ų | 106 | 69.2 Ų | 69.2 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 132.7 | -174.2 | -170.5 | 77.2 | 0 | 0 | 0 | 112.4 | K900 I901 F902 F1001 M1012 | K900-W999 VanDerWaalsContact C-CB 3.48Å; K900-W999 HydrophobicContact CB-CB 4.33Å; K900-W999 HydrophobicContact CB-CD2 3.66Å; K900-W999 HydrophobicContact CB-CE3 3.73Å; K900-W999 HydrophobicContact CB-CG 3.91Å; K900-W999 HydrophobicContact CB-CZ3 4.32Å; K900-W999 HydrophobicContact CD-CD2 4.1Å; K900-W999 HydrophobicContact CD-CE3 4.01Å; K900-W999 HydrophobicContact CD-CH2 3.69Å; K900-W999 HydrophobicContact CD-CZ2 3.75Å; K900-W999 HydrophobicContact CD-CZ3 3.79Å; K900-W999 HydrophobicContact CG-CD2 3.82Å; K900-W999 HydrophobicContact CG-CE3 4.11Å; K900-W999 HydrophobicContact CG-CG 4.24Å; K900-W999 HydrophobicContact CG-CH2 4.46Å; K900-W999 HydrophobicContact CG-CZ2 4.16Å; K900-W999 HydrophobicContact CG-CZ3 4.4Å; K900-W999 WeakPolarHBondContact O-CB 3.28Å; I901-W999 PolarHBondContact O-N 2.88Å; F902-W999 HydrophobicContact CB-CB 4.5Å; F902-W999 WeakPolarHBondContact CB-O 3.22Å; F902-W999 HydrophobicContact CD1-CE3 4.23Å; F902-W999 HydrophobicContact CE1-CE3 4.49Å; W999-F1001 VanDerWaalsContact C-N 3.28Å; W999-F1001 VanDerWaalsContact O-CD2 3.28Å; W999-F1001 WeakPolarHBondContact O-CD2 3.46Å; W999-F1001 PolarHBondContact O-N 2.82Å; W999-M1012 HydrophobicContact CD2-CE 4.32Å; W999-M1012 HydrophobicContact CE3-CE 3.64Å; W999-M1012 HydrophobicContact CH2-CE 3.58Å; W999-M1012 HydrophobicContact CH2-SD 4.28Å; W999-M1012 HydrophobicContact CZ2-CE 4.27Å; W999-M1012 HydrophobicContact CZ3-CE 3.25Å; W999-M1012 HydrophobicContact CZ3-SD 4.44Å |
| 1000 | G | 80.1 | Confident | 78 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -2.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | G998 L1009 M1012 | G998-G1000 PolarHBondContact O-N 2.79Å; G1000-L1009 WeakPolarHBondContact O-CB 3.33Å; G1000-L1009 WeakPolarHBondContact O-CG 3.46Å; G1000-L1009 PolarHBondContact O-N 3.34Å; G1000-M1012 WeakPolarHBondContact CA-SD 3.23Å |
| 1001 | F | 84.2 | Confident | 76.5 | Confident | 17 Ų | 17 | 77.6 Ų | 77.6 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -112 | 143.2 | -178.9 | -70.2 | -87.9 | 0 | 0 | 0 | 113.7 | F902 I904 G996 G998 W999 I1003 L1008 | F902-F1001 HydrophobicContact CB-CD2 4.03Å; F902-F1001 HydrophobicContact CB-CE2 4.03Å; F902-F1001 AromaticContact CD2-CE2 3.86Å; F902-F1001 HydrophobicContact CD2-CE2 3.86Å; F902-F1001 HydrophobicContact CG-CE2 4.06Å; I904-F1001 HydrophobicContact CD1-CE2 4.37Å; I904-F1001 HydrophobicContact CD1-CZ 3.82Å; I904-F1001 HydrophobicContact CG1-CE2 4.08Å; I904-F1001 HydrophobicContact CG1-CZ 3.7Å; G996-F1001 VanDerWaalsContact C-CG 3.46Å; G996-F1001 WeakPolarHBondContact O-CB 3.29Å; G998-F1001 PolarHBondContact O-N 3.04Å; G998-F1001 VanDerWaalsContact O-N 3.14Å; W999-F1001 VanDerWaalsContact C-N 3.28Å; W999-F1001 VanDerWaalsContact O-CD2 3.28Å; W999-F1001 WeakPolarHBondContact O-CD2 3.46Å; W999-F1001 PolarHBondContact O-N 2.82Å; F1001-I1003 PolarHBondContact O-N 2.83Å; F1001-L1008 HydrophobicContact CD1-CB 4.29Å; F1001-L1008 HydrophobicContact CD1-CD1 4.32Å; F1001-L1008 HydrophobicContact CD2-CD1 4.44Å; F1001-L1008 HydrophobicContact CE1-CB 3.96Å; F1001-L1008 HydrophobicContact CE1-CD1 3.84Å; F1001-L1008 HydrophobicContact CE2-CD1 3.96Å; F1001-L1008 HydrophobicContact CZ-CD1 3.63Å |
| 1002 | N | 78.5 | Confident | 74.6 | Confident | 56 Ų | 56 | 79.5 Ų | 79.5 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | trans | -77.8 | 115.5 | 176.5 | 177.8 | -82.6 | 0 | 0 | 0 | 111.2 | Q1004 T1005 G1006 K1007 L1009 | N1002-Q1004 PolarHBondContact O-N 3.35Å; N1002-Q1004 PolarHBondContact OD1-N 2.86Å; N1002-T1005 WeakPolarHBondContact CB-OG1 3.46Å; N1002-T1005 VanDerWaalsContact CG-OG1 3.27Å; N1002-T1005 PolarHBondContact O-N 2.76Å; N1002-T1005 PolarHBondContact OD1-N 2.82Å; N1002-T1005 PolarHBondContact OD1-OG1 2.76Å; N1002-G1006 WeakPolarHBondContact O-CA 3.47Å; N1002-G1006 PolarHBondContact O-N 3.17Å; N1002-K1007 PolarHBondContact N-O 2.79Å; N1002-L1009 HydrophobicContact CB-CD2 3.82Å; N1002-L1009 HydrophobicContact CB-CG 4.43Å | ||
| 1003 | I | 73.3 | Confident | 72.5 | Confident | 133 Ų | 133 | 80.3 Ų | 80.3 | 68% | 0.682 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.9 | -173.1 | -57.3 | 173.2 | 0 | 0 | 0 | 114 | F1001 | F1001-I1003 PolarHBondContact O-N 2.83Š|
| 1004 | Q | 77 | Confident | 70.4 | Confident | 176 Ų | 176 | 74.7 Ų | 74.7 | 82% | 0.822 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -33.2 | -177.7 | -68.7 | -178.5 | -13.9 | 0 | 0 | 113.9 | N1002 | N1002-Q1004 PolarHBondContact O-N 3.35Å; N1002-Q1004 PolarHBondContact OD1-N 2.86Å |
| 1005 | T | 80 | Confident | 68.3 | Low | 67 Ų | 67 | 80.4 Ų | 80.4 | 41% | 0.411 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -12.4 | -172.1 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | N1002 K1007 | N1002-T1005 WeakPolarHBondContact CB-OG1 3.46Å; N1002-T1005 VanDerWaalsContact CG-OG1 3.27Å; N1002-T1005 PolarHBondContact O-N 2.76Å; N1002-T1005 PolarHBondContact OD1-N 2.82Å; N1002-T1005 PolarHBondContact OD1-OG1 2.76Å; T1005-K1007 PolarHBondContact O-N 3.29Å; T1005-K1007 VanDerWaalsContact O-N 3.11Å; T1005-K1007 PolarHBondContact OG1-N 2.83Å |
| 1006 | G | 78 | Confident | 65.9 | Low | 0 Ų | 0 | 89.5 Ų | 89.5 | 0% | 0 | 43% | 0.432 | C | S | . | . | trans | 64 | 6.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L995 G996 N1002 | L995-G1006 CarbonylContact C-O 3.53Å; L995-G1006 VanDerWaalsContact CA-O 3.23Å; L995-G1006 WeakPolarHBondContact CA-O 3.03Å; L995-G1006 WeakPolarHBondContact CB-O 3.01Å; G996-G1006 PolarHBondContact N-O 2.88Å; G996-G1006 CarbonylContact O-C 3.6Å; G996-G1006 WeakPolarHBondContact O-CA 3.25Å; N1002-G1006 WeakPolarHBondContact O-CA 3.47Å; N1002-G1006 PolarHBondContact O-N 3.17Å | ||
| 1007 | K | 80.5 | Confident | 63.4 | Low | 138 Ų | 138 | 94.2 Ų | 94.2 | 60% | 0.6 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 144 | 179.7 | -68.1 | -176.1 | 177.2 | -178 | 0 | 110.3 | L995 N1002 T1005 L1009 | L995-K1007 HydrophobicContact CD2-CG 4.02Å; N1002-K1007 PolarHBondContact N-O 2.79Å; T1005-K1007 PolarHBondContact O-N 3.29Å; T1005-K1007 VanDerWaalsContact O-N 3.11Å; T1005-K1007 PolarHBondContact OG1-N 2.83Å; K1007-L1009 PolarHBondContact O-N 3.41Å |
| 1008 | L | 73.9 | Confident | 60.8 | Low | 89 Ų | 89 | 101.2 Ų | 101.2 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -56.2 | 129.9 | 167.6 | -169.1 | 77.4 | 0 | 0 | 0 | 108.8 | F1001 Q1010 M1012 | F1001-L1008 HydrophobicContact CD1-CB 4.29Å; F1001-L1008 HydrophobicContact CD1-CD1 4.32Å; F1001-L1008 HydrophobicContact CD2-CD1 4.44Å; F1001-L1008 HydrophobicContact CE1-CB 3.96Å; F1001-L1008 HydrophobicContact CE1-CD1 3.84Å; F1001-L1008 HydrophobicContact CE2-CD1 3.96Å; F1001-L1008 HydrophobicContact CZ-CD1 3.63Å; L1008-Q1010 PolarHBondContact O-N 3.29Å; L1008-M1012 HydrophobicContact CD1-CG 4.04Å; L1008-M1012 HydrophobicContact CD2-CB 4.43Å; L1008-M1012 HydrophobicContact CG-CG 4.12Å |
| 1009 | L | 66.1 | Low | 58.4 | Low | 57 Ų | 57 | 104.8 Ų | 104.8 | 30% | 0.298 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 123.6 | 171.9 | -66.3 | 168.1 | 0 | 0 | 0 | 107.7 | G1000 N1002 K1007 F1011 M1012 | G1000-L1009 WeakPolarHBondContact O-CB 3.33Å; G1000-L1009 WeakPolarHBondContact O-CG 3.46Å; G1000-L1009 PolarHBondContact O-N 3.34Å; N1002-L1009 HydrophobicContact CB-CD2 3.82Å; N1002-L1009 HydrophobicContact CB-CG 4.43Å; K1007-L1009 PolarHBondContact O-N 3.41Å; L1009-F1011 HydrophobicContact CB-CD2 3.86Å; L1009-F1011 HydrophobicContact CB-CE2 4.44Å; L1009-F1011 HydrophobicContact CD2-CD2 4.23Å; L1009-F1011 HydrophobicContact CD2-CE2 4.07Å; L1009-F1011 HydrophobicContact CG-CD2 4.48Å; L1009-F1011 PolarHBondContact O-N 2.79Å; L1009-M1012 VanDerWaalsContact O-CG 3.22Å; L1009-M1012 WeakPolarHBondContact O-CG 3.5Å; L1009-M1012 PolarHBondContact O-N 3.41Å; L1009-M1012 VanDerWaalsContact O-N 3.1Å |
| 1010 | Q | 54 | Low | 56 | Low | 179 Ų | 179 | 105.2 Ų | 105.2 | 84% | 0.836 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -66 | -1.5 | -179.9 | -69.7 | -177.9 | -46.6 | 0 | 0 | 113.4 | L1008 M1012 | L1008-Q1010 PolarHBondContact O-N 3.29Å; Q1010-M1012 PolarHBondContact O-N 3.36Å |
| 1011 | F | 46.2 | Very low | 53.8 | Low | 138 Ų | 138 | 110.7 Ų | 110.7 | 61% | 0.605 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -77.9 | -0.2 | 172.1 | -38.2 | -50.1 | 0 | 0 | 0 | 113.3 | L1009 N1013 I1014 | L1009-F1011 HydrophobicContact CB-CD2 3.86Å; L1009-F1011 HydrophobicContact CB-CE2 4.44Å; L1009-F1011 HydrophobicContact CD2-CD2 4.23Å; L1009-F1011 HydrophobicContact CD2-CE2 4.07Å; L1009-F1011 HydrophobicContact CG-CD2 4.48Å; L1009-F1011 PolarHBondContact O-N 2.79Å; F1011-N1013 VanDerWaalsContact C-N 3.31Å; F1011-N1013 PolarHBondContact O-N 2.82Å; F1011-I1014 HydrophobicContact CB-CD1 4.37Å; F1011-I1014 HydrophobicContact CD1-CD1 4.38Å; F1011-I1014 WeakPolarHBondContact O-CB 3.21Å; F1011-I1014 PolarHBondContact O-N 3.28Å |
| 1012 | M | 37.8 | Very low | 51.5 | Low | 68 Ų | 68 | 116.9 Ų | 116.9 | 34% | 0.335 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -76.7 | -14.9 | 179 | -63.5 | -70.8 | -78.5 | 0 | 0 | 113.8 | W999 G1000 L1008 L1009 Q1010 I1014 | W999-M1012 HydrophobicContact CD2-CE 4.32Å; W999-M1012 HydrophobicContact CE3-CE 3.64Å; W999-M1012 HydrophobicContact CH2-CE 3.58Å; W999-M1012 HydrophobicContact CH2-SD 4.28Å; W999-M1012 HydrophobicContact CZ2-CE 4.27Å; W999-M1012 HydrophobicContact CZ3-CE 3.25Å; W999-M1012 HydrophobicContact CZ3-SD 4.44Å; G1000-M1012 WeakPolarHBondContact CA-SD 3.23Å; L1008-M1012 HydrophobicContact CD1-CG 4.04Å; L1008-M1012 HydrophobicContact CD2-CB 4.43Å; L1008-M1012 HydrophobicContact CG-CG 4.12Å; L1009-M1012 VanDerWaalsContact O-CG 3.22Å; L1009-M1012 WeakPolarHBondContact O-CG 3.5Å; L1009-M1012 PolarHBondContact O-N 3.41Å; L1009-M1012 VanDerWaalsContact O-N 3.1Å; Q1010-M1012 PolarHBondContact O-N 3.36Å; M1012-I1014 PolarHBondContact O-N 2.77Å |
| 1013 | N | 34.6 | Very low | 49.4 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 84% | 0.84 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -88.3 | 25 | 169.5 | -76.3 | -13.2 | 0 | 0 | 0 | 112.5 | F1011 | F1011-N1013 VanDerWaalsContact C-N 3.31Å; F1011-N1013 PolarHBondContact O-N 2.82Å |
| 1014 | I | 37.3 | Very low | 47.7 | Very low | 58 Ų | 58 | 121.7 Ų | 121.7 | 30% | 0.297 | 58% | 0.583 | S | S | . | * | trans | -118.2 | 6.8 | -167.6 | -59.4 | -167.4 | 0 | 0 | 0 | 114.4 | F1011 M1012 R1016 K1017 E1018 | F1011-I1014 HydrophobicContact CB-CD1 4.37Å; F1011-I1014 HydrophobicContact CD1-CD1 4.38Å; F1011-I1014 WeakPolarHBondContact O-CB 3.21Å; F1011-I1014 PolarHBondContact O-N 3.28Å; M1012-I1014 PolarHBondContact O-N 2.77Å; I1014-R1016 PolarHBondContact O-N 3.18Å; I1014-K1017 HydrophobicContact CB-CB 4.48Å; I1014-K1017 HydrophobicContact CG2-CB 3.97Å; I1014-K1017 PolarHBondContact O-N 3.1Å; I1014-E1018 HydrophobicContact CG2-CG 4.38Å; I1014-E1018 PolarHBondContact O-N 3.32Å | ||
| 1015 | E | 34.8 | Very low | 46.1 | Very low | 170 Ų | 170 | 118.8 Ų | 118.8 | 79% | 0.794 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 32.9 | 160.5 | -71.3 | -164.1 | 167.9 | 0 | 0 | 113.8 | ||
| 1016 | R | 34.8 | Very low | 44.3 | Very low | 220 Ų | 220 | 121.1 Ų | 121.1 | 83% | 0.83 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.5 | 13.2 | 151.1 | -151.3 | 170.7 | -72.1 | -165.2 | -2 | 113.5 | K128 I1014 | K128-R1016 PolarHBondContact NZ-O 3.24Å; I1014-R1016 PolarHBondContact O-N 3.18Å |
| 1017 | K | 29.3 | Very low | 42.7 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 44% | 0.435 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -143.4 | 18.4 | -169.3 | -120.1 | 170.4 | -173.3 | 164.4 | 0 | 116.1 | K128 I1014 | K128-K1017 HydrophobicContact CD-CG 4.24Å; I1014-K1017 HydrophobicContact CB-CB 4.48Å; I1014-K1017 HydrophobicContact CG2-CB 3.97Å; I1014-K1017 PolarHBondContact O-N 3.1Å |
| 1018 | E | 30.7 | Very low | 41.4 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 73% | 0.729 | 61% | 0.605 | S | S | * | * | trans | -55.5 | 161.1 | 164.6 | -67.5 | -158.4 | 126.8 | 0 | 0 | 112 | K128 I1014 | K128-E1018 WeakPolarHBondContact CE-O 3.45Å; I1014-E1018 HydrophobicContact CG2-CG 4.38Å; I1014-E1018 PolarHBondContact O-N 3.32Å | ||
| 1019 | I | 33.5 | Very low | 40 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 54% | 0.544 | 61% | 0.612 | S | S | . | * | S | Bend | trans | 65.5 | 71.7 | -158.1 | -42.9 | 174.7 | 0 | 0 | 0 | 111.9 | ||
| 1020 | N | 30.7 | Very low | 39.6 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | trans | -172.8 | 79.9 | 135.4 | -97.9 | -28.9 | 0 | 0 | 0 | 112.3 | ||||
| 1021 | D | 35.9 | Very low | 40.3 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | trans | -134 | 59.6 | 153.1 | -154.9 | 7.2 | 0 | 0 | 0 | 112.1 | R1023 | D1021-R1023 PolarHBondContact O-N 2.86Å; D1021-R1023 VanDerWaalsContact O-N 3.09Å; D1021-R1023 VanDerWaalsContact OD1-CB 3.31Å; D1021-R1023 WeakPolarHBondContact OD1-CB 3.44Å; D1021-R1023 WeakPolarHBondContact OD1-CD 3.38Å; D1021-R1023 WeakPolarHBondContact OD1-CG 3.31Å | ||
| 1022 | K | 34.4 | Very low | 41.7 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 64% | 0.635 | 60% | 0.601 | S | S | * | * | trans | -75.5 | 30 | 169.2 | -99.1 | -167.7 | 170 | -125.9 | 0 | 113 | G1024 E1025 | K1022-G1024 PolarHBondContact O-N 3.49Å; K1022-E1025 IonicContact NZ-OE2 2.7Å; K1022-E1025 PolarHBondContact NZ-OE2 3.19Å | ||
| 1023 | R | 35 | Very low | 43.1 | Very low | 231 Ų | 231 | 123.2 Ų | 123.2 | 87% | 0.872 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 42.7 | 178.8 | -71.1 | -178.6 | 159.2 | 169.7 | -3.7 | 113.9 | D1021 | D1021-R1023 PolarHBondContact O-N 2.86Å; D1021-R1023 VanDerWaalsContact O-N 3.09Å; D1021-R1023 VanDerWaalsContact OD1-CB 3.31Å; D1021-R1023 WeakPolarHBondContact OD1-CB 3.44Å; D1021-R1023 WeakPolarHBondContact OD1-CD 3.38Å; D1021-R1023 WeakPolarHBondContact OD1-CG 3.31Å |
| 1024 | G | 36.5 | Very low | 44.9 | Very low | 59 Ų | 59 | 119.4 Ų | 119.4 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -16.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1022 | K1022-G1024 PolarHBondContact O-N 3.49Š|
| 1025 | E | 43.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 54% | 0.542 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.3 | -34 | -170.4 | -62 | -172.5 | 119.6 | 0 | 0 | 113.6 | K1022 F1027 I1028 | K1022-E1025 IonicContact NZ-OE2 2.7Å; K1022-E1025 PolarHBondContact NZ-OE2 3.19Å; E1025-F1027 VanDerWaalsContact C-N 3.3Å; E1025-F1027 PolarHBondContact O-N 3.26Å; E1025-I1028 PolarHBondContact O-N 3.48Å |
| 1026 | D | 42.3 | Very low | 48.8 | Very low | 115 Ų | 115 | 115.7 Ų | 115.7 | 62% | 0.615 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -73.6 | -13.5 | -176.3 | -70.7 | -43.4 | 0 | 0 | 0 | 115.3 | I1028 N1029 | D1026-I1028 PolarHBondContact O-N 3.21Å; D1026-N1029 PolarHBondContact O-N 2.78Å |
| 1027 | F | 44.7 | Very low | 50.8 | Low | 135 Ų | 135 | 108.7 Ų | 108.7 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -63 | -25.9 | 177 | -135.6 | -81.1 | 0 | 0 | 0 | 112 | E1025 W1032 L1033 | E1025-F1027 VanDerWaalsContact C-N 3.3Å; E1025-F1027 PolarHBondContact O-N 3.26Å; F1027-W1032 AromaticContact CE1-CH2 3.94Å; F1027-W1032 HydrophobicContact CE1-CH2 3.94Å; F1027-W1032 AromaticContact CE1-CZ2 3.89Å; F1027-W1032 HydrophobicContact CE1-CZ2 3.89Å; F1027-W1032 HydrophobicContact CZ-CZ2 4.35Å; F1027-L1033 HydrophobicContact CD1-CD1 4.31Å; F1027-L1033 HydrophobicContact CE1-CD1 4.49Å |
| 1028 | I | 52.7 | Low | 53.3 | Low | 108 Ų | 108 | 108.1 Ų | 108.1 | 55% | 0.554 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -75 | -25.1 | -179.4 | -65.4 | 174 | 0 | 0 | 0 | 112.1 | E1025 D1026 | E1025-I1028 PolarHBondContact O-N 3.48Å; D1026-I1028 PolarHBondContact O-N 3.21Å |
| 1029 | N | 46.3 | Very low | 55.9 | Low | 114 Ų | 114 | 103.9 Ų | 103.9 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -93.6 | 4.6 | -178.3 | -71.4 | -28.3 | 0 | 0 | 0 | 113.9 | D1026 | D1026-N1029 PolarHBondContact O-N 2.78Š|
| 1030 | Q | 57.9 | Low | 58.1 | Low | 79 Ų | 79 | 102.7 Ų | 102.7 | 37% | 0.369 | 54% | 0.537 | S | S | . | . | trans | -63.8 | 124.8 | 175.9 | -73.3 | -74.9 | -46.3 | 0 | 0 | 110.8 | W1032 L1033 I1034 | Q1030-W1032 VanDerWaalsContact C-N 3.28Å; Q1030-W1032 PolarHBondContact O-N 2.79Å; Q1030-L1033 HydrophobicContact CB-CB 3.87Å; Q1030-L1033 WeakPolarHBondContact O-CB 3.19Å; Q1030-L1033 PolarHBondContact O-N 3.15Å; Q1030-I1034 PolarHBondContact O-N 3.05Å | ||
| 1031 | P | 68.1 | Low | 60.6 | Low | 97 Ų | 97 | 101.5 Ų | 101.5 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -57.7 | -37.9 | -176.6 | -28 | 35.3 | 0 | 0 | 0 | 113.9 | V1035 | P1031-V1035 WeakPolarHBondContact O-CG2 3.04Å; P1031-V1035 PolarHBondContact O-N 3.03Å |
| 1032 | W | 75.9 | Confident | 63 | Low | 136 Ų | 136 | 100.8 Ų | 100.8 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.9 | -34.8 | 176.1 | 65.3 | -92.2 | 0 | 0 | 0 | 112.2 | F1027 Q1030 V1035 T1036 | F1027-W1032 AromaticContact CE1-CH2 3.94Å; F1027-W1032 HydrophobicContact CE1-CH2 3.94Å; F1027-W1032 AromaticContact CE1-CZ2 3.89Å; F1027-W1032 HydrophobicContact CE1-CZ2 3.89Å; F1027-W1032 HydrophobicContact CZ-CZ2 4.35Å; Q1030-W1032 VanDerWaalsContact C-N 3.28Å; Q1030-W1032 PolarHBondContact O-N 2.79Å; W1032-V1035 PolarHBondContact O-N 3.39Å; W1032-T1036 WeakPolarHBondContact O-CG2 3.28Å; W1032-T1036 PolarHBondContact O-N 2.8Å; W1032-T1036 PolarHBondContact O-OG1 2.89Å |
| 1033 | L | 65.9 | Low | 65.6 | Low | 45 Ų | 45 | 98.3 Ų | 98.3 | 24% | 0.236 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -67 | -46.1 | 176.3 | -165.6 | 106 | 0 | 0 | 0 | 110.3 | F1027 Q1030 V1035 T1036 V1037 | F1027-L1033 HydrophobicContact CD1-CD1 4.31Å; F1027-L1033 HydrophobicContact CE1-CD1 4.49Å; Q1030-L1033 HydrophobicContact CB-CB 3.87Å; Q1030-L1033 WeakPolarHBondContact O-CB 3.19Å; Q1030-L1033 PolarHBondContact O-N 3.15Å; L1033-V1035 VanDerWaalsContact C-N 3.3Å; L1033-V1035 PolarHBondContact O-N 2.92Å; L1033-T1036 WeakPolarHBondContact CA-OG1 3.3Å; L1033-T1036 PolarHBondContact O-N 2.92Å; L1033-T1036 VanDerWaalsContact O-N 3.11Å; L1033-T1036 PolarHBondContact O-OG1 2.8Å; L1033-V1037 WeakPolarHBondContact O-CG2 3.29Å; L1033-V1037 PolarHBondContact O-N 2.92Å |
| 1034 | I | 72.8 | Confident | 67.9 | Low | 77 Ų | 77 | 95 Ų | 95 | 40% | 0.395 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.4 | -46 | 174.5 | -64.8 | 168.9 | 0 | 0 | 0 | 110.3 | Q1030 V1037 I1038 | Q1030-I1034 PolarHBondContact O-N 3.05Å; I1034-V1037 PolarHBondContact O-N 2.81Å; I1034-I1038 HydrophobicContact CG2-CD1 3.78Å; I1034-I1038 WeakPolarHBondContact O-CB 3.36Å; I1034-I1038 VanDerWaalsContact O-CG1 3.28Å; I1034-I1038 WeakPolarHBondContact O-CG1 3.29Å; I1034-I1038 PolarHBondContact O-N 2.9Å |
| 1035 | V | 76.8 | Confident | 70.2 | Confident | 84 Ų | 84 | 95.4 Ų | 95.4 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 174.3 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | P1031 W1032 L1033 V1037 I1038 C1039 | P1031-V1035 WeakPolarHBondContact O-CG2 3.04Å; P1031-V1035 PolarHBondContact O-N 3.03Å; W1032-V1035 PolarHBondContact O-N 3.39Å; L1033-V1035 VanDerWaalsContact C-N 3.3Å; L1033-V1035 PolarHBondContact O-N 2.92Å; V1035-V1037 PolarHBondContact O-N 2.97Å; V1035-I1038 PolarHBondContact O-N 2.98Å; V1035-C1039 WeakPolarHBondContact O-CB 3.5Å; V1035-C1039 PolarHBondContact O-N 3.25Å; V1035-C1039 PolarHBondContact O-SG 2.89Å; V1035-C1039 VanDerWaalsContact O-SG 3.32Å |
| 1036 | T | 77.6 | Confident | 72.2 | Confident | 66 Ų | 66 | 92.4 Ų | 92.4 | 41% | 0.405 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 177.8 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | W1032 L1033 C1039 S1040 | W1032-T1036 WeakPolarHBondContact O-CG2 3.28Å; W1032-T1036 PolarHBondContact O-N 2.8Å; W1032-T1036 PolarHBondContact O-OG1 2.89Å; L1033-T1036 WeakPolarHBondContact CA-OG1 3.3Å; L1033-T1036 PolarHBondContact O-N 2.92Å; L1033-T1036 VanDerWaalsContact O-N 3.11Å; L1033-T1036 PolarHBondContact O-OG1 2.8Å; T1036-C1039 PolarHBondContact O-N 3.04Å; T1036-S1040 WeakPolarHBondContact O-CB 3.43Å; T1036-S1040 PolarHBondContact O-N 3.11Å; T1036-S1040 PolarHBondContact O-OG 2.87Å |
| 1037 | V | 76.3 | Confident | 74 | Confident | 73 Ų | 73 | 89.9 Ų | 89.9 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L1033 I1034 V1035 S1040 L1041 | L1033-V1037 WeakPolarHBondContact O-CG2 3.29Å; L1033-V1037 PolarHBondContact O-N 2.92Å; I1034-V1037 PolarHBondContact O-N 2.81Å; V1035-V1037 PolarHBondContact O-N 2.97Å; V1037-S1040 PolarHBondContact O-N 2.03Å; V1037-L1041 HydrophobicContact CG1-CD1 4.15Å; V1037-L1041 WeakPolarHBondContact O-CB 3.19Å; V1037-L1041 PolarHBondContact O-N 2.87Å |
| 1038 | I | 82.4 | Confident | 75.7 | Confident | 87 Ų | 87 | 86.2 Ų | 86.2 | 45% | 0.446 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 173.7 | -69.9 | 169.1 | 0 | 0 | 0 | 110.8 | I1034 V1035 L1041 L1042 | I1034-I1038 HydrophobicContact CG2-CD1 3.78Å; I1034-I1038 WeakPolarHBondContact O-CB 3.36Å; I1034-I1038 VanDerWaalsContact O-CG1 3.28Å; I1034-I1038 WeakPolarHBondContact O-CG1 3.29Å; I1034-I1038 PolarHBondContact O-N 2.9Å; V1035-I1038 PolarHBondContact O-N 2.98Å; I1038-L1041 PolarHBondContact O-N 2.94Å; I1038-L1042 HydrophobicContact CG2-CD1 3.9Å; I1038-L1042 HydrophobicContact CG2-CG 4.36Å; I1038-L1042 WeakPolarHBondContact O-CB 3.44Å; I1038-L1042 VanDerWaalsContact O-CG 3.3Å; I1038-L1042 WeakPolarHBondContact O-CG 3.47Å; I1038-L1042 PolarHBondContact O-N 3.42Å |
| 1039 | C | 83.8 | Confident | 77 | Confident | 67 Ų | 67 | 83.5 Ų | 83.5 | 45% | 0.453 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 175.8 | -72.4 | 0 | 0 | 0 | 0 | 112.1 | V1035 T1036 L1042 V1043 | V1035-C1039 WeakPolarHBondContact O-CB 3.5Å; V1035-C1039 PolarHBondContact O-N 3.25Å; V1035-C1039 PolarHBondContact O-SG 2.89Å; V1035-C1039 VanDerWaalsContact O-SG 3.32Å; T1036-C1039 PolarHBondContact O-N 3.04Å; C1039-L1042 PolarHBondContact O-N 2.91Å; C1039-V1043 WeakPolarHBondContact O-CG2 3.38Å; C1039-V1043 PolarHBondContact O-N 2.78Å |
| 1040 | S | 80.8 | Confident | 78.6 | Confident | 81 Ų | 81 | 83.3 Ų | 83.3 | 57% | 0.566 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 175 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | T1036 V1037 V1043 W1044 | T1036-S1040 WeakPolarHBondContact O-CB 3.43Å; T1036-S1040 PolarHBondContact O-N 3.11Å; T1036-S1040 PolarHBondContact O-OG 2.87Å; V1037-S1040 PolarHBondContact O-N 2.03Å; S1040-V1043 PolarHBondContact O-N 2.88Å; S1040-W1044 VanDerWaalsContact O-CB 3.3Å; S1040-W1044 WeakPolarHBondContact O-CB 3.33Å; S1040-W1044 PolarHBondContact O-N 3.04Å |
| 1041 | L | 82.3 | Confident | 79.5 | Confident | 90 Ų | 90 | 84.5 Ų | 84.5 | 47% | 0.471 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 173.7 | -84.9 | 167.3 | 0 | 0 | 0 | 112.4 | V1037 I1038 W1044 C1045 | V1037-L1041 HydrophobicContact CG1-CD1 4.15Å; V1037-L1041 WeakPolarHBondContact O-CB 3.19Å; V1037-L1041 PolarHBondContact O-N 2.87Å; I1038-L1041 PolarHBondContact O-N 2.94Å; L1041-W1044 HydrophobicContact CD2-CE3 4.4Å; L1041-W1044 PolarHBondContact O-N 2.92Å; L1041-C1045 WeakPolarHBondContact O-CB 3.42Å; L1041-C1045 PolarHBondContact O-N 2.79Å; L1041-C1045 PolarHBondContact O-SG 2.9Å; L1041-C1045 VanDerWaalsContact O-SG 3.36Å |
| 1042 | L | 87.3 | Confident | 79.6 | Confident | 111 Ų | 111 | 83.1 Ų | 83.1 | 58% | 0.581 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.1 | -40.7 | 175 | -73.4 | 170.8 | 0 | 0 | 0 | 111.6 | I1038 C1039 A1046 | I1038-L1042 HydrophobicContact CG2-CD1 3.9Å; I1038-L1042 HydrophobicContact CG2-CG 4.36Å; I1038-L1042 WeakPolarHBondContact O-CB 3.44Å; I1038-L1042 VanDerWaalsContact O-CG 3.3Å; I1038-L1042 WeakPolarHBondContact O-CG 3.47Å; I1038-L1042 PolarHBondContact O-N 3.42Å; C1039-L1042 PolarHBondContact O-N 2.91Å; L1042-A1046 WeakPolarHBondContact O-CB 3.23Å; L1042-A1046 PolarHBondContact O-N 3.18Å |
| 1043 | V | 88.1 | Confident | 79.3 | Confident | 94 Ų | 94 | 83.4 Ų | 83.4 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.4 | -38.9 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | C1039 S1040 A1046 T1047 | C1039-V1043 WeakPolarHBondContact O-CG2 3.38Å; C1039-V1043 PolarHBondContact O-N 2.78Å; S1040-V1043 PolarHBondContact O-N 2.88Å; V1043-A1046 PolarHBondContact O-N 3.23Å; V1043-T1047 WeakPolarHBondContact O-CB 3.38Å; V1043-T1047 WeakPolarHBondContact O-CG2 3.32Å; V1043-T1047 PolarHBondContact O-N 2.83Å; V1043-T1047 PolarHBondContact O-OG1 2.83Å |
| 1044 | W | 84.4 | Confident | 79.2 | Confident | 161 Ų | 161 | 84.1 Ų | 84.1 | 61% | 0.61 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.1 | -45.3 | 175.2 | -171.9 | 71 | 0 | 0 | 0 | 112.1 | S1040 L1041 A1046 T1047 V1048 | S1040-W1044 VanDerWaalsContact O-CB 3.3Å; S1040-W1044 WeakPolarHBondContact O-CB 3.33Å; S1040-W1044 PolarHBondContact O-N 3.04Å; L1041-W1044 HydrophobicContact CD2-CE3 4.4Å; L1041-W1044 PolarHBondContact O-N 2.92Å; W1044-A1046 VanDerWaalsContact C-N 3.35Å; W1044-A1046 PolarHBondContact O-N 3.29Å; W1044-T1047 WeakPolarHBondContact CA-OG1 3.47Å; W1044-T1047 PolarHBondContact O-N 2.95Å; W1044-T1047 PolarHBondContact O-OG1 2.92Å; W1044-T1047 VanDerWaalsContact O-OG1 3.04Å; W1044-V1048 HydrophobicContact CD2-CG2 4.19Å; W1044-V1048 HydrophobicContact CZ2-CG2 4.18Å; W1044-V1048 WeakPolarHBondContact O-CB 3.46Å; W1044-V1048 VanDerWaalsContact O-CG2 3.28Å; W1044-V1048 WeakPolarHBondContact O-CG2 3.41Å; W1044-V1048 PolarHBondContact O-N 3.01Å |
| 1045 | C | 84.3 | Confident | 78.5 | Confident | 68 Ų | 68 | 84 Ų | 84 | 46% | 0.459 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 173.5 | -72.5 | 0 | 0 | 0 | 0 | 112 | L1041 A1049 | L1041-C1045 WeakPolarHBondContact O-CB 3.42Å; L1041-C1045 PolarHBondContact O-N 2.79Å; L1041-C1045 PolarHBondContact O-SG 2.9Å; L1041-C1045 VanDerWaalsContact O-SG 3.36Å; C1045-A1049 WeakPolarHBondContact O-CB 3.46Å; C1045-A1049 PolarHBondContact O-N 3Å |
| 1046 | A | 84.6 | Confident | 77.6 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 44% | 0.438 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1042 V1043 W1044 L1050 | L1042-A1046 WeakPolarHBondContact O-CB 3.23Å; L1042-A1046 PolarHBondContact O-N 3.18Å; V1043-A1046 PolarHBondContact O-N 3.23Å; W1044-A1046 VanDerWaalsContact C-N 3.35Å; W1044-A1046 PolarHBondContact O-N 3.29Å; A1046-L1050 WeakPolarHBondContact O-CB 3.25Å; A1046-L1050 PolarHBondContact O-N 2.9Å |
| 1047 | T | 81.8 | Confident | 76.6 | Confident | 62 Ų | 62 | 94.9 Ų | 94.9 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.7 | -39.4 | 176.4 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | V1043 W1044 A1049 L1050 I1051 | V1043-T1047 WeakPolarHBondContact O-CB 3.38Å; V1043-T1047 WeakPolarHBondContact O-CG2 3.32Å; V1043-T1047 PolarHBondContact O-N 2.83Å; V1043-T1047 PolarHBondContact O-OG1 2.83Å; W1044-T1047 WeakPolarHBondContact CA-OG1 3.47Å; W1044-T1047 PolarHBondContact O-N 2.95Å; W1044-T1047 PolarHBondContact O-OG1 2.92Å; W1044-T1047 VanDerWaalsContact O-OG1 3.04Å; T1047-A1049 VanDerWaalsContact C-N 3.33Å; T1047-L1050 PolarHBondContact O-N 2.9Å; T1047-I1051 WeakPolarHBondContact O-CB 3.31Å; T1047-I1051 WeakPolarHBondContact O-CD1 3.3Å; T1047-I1051 WeakPolarHBondContact O-CG1 3.49Å; T1047-I1051 PolarHBondContact O-N 2.88Å |
| 1048 | V | 80.7 | Confident | 75 | Confident | 58 Ų | 58 | 99 Ų | 99 | 35% | 0.352 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -36.8 | 171.3 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | W1044 T1052 | W1044-V1048 HydrophobicContact CD2-CG2 4.19Å; W1044-V1048 HydrophobicContact CZ2-CG2 4.18Å; W1044-V1048 WeakPolarHBondContact O-CB 3.46Å; W1044-V1048 VanDerWaalsContact O-CG2 3.28Å; W1044-V1048 WeakPolarHBondContact O-CG2 3.41Å; W1044-V1048 PolarHBondContact O-N 3.01Å; V1048-T1052 HydrophobicContact CG1-CG2 4.46Å; V1048-T1052 WeakPolarHBondContact O-CB 3.45Å; V1048-T1052 WeakPolarHBondContact O-CG2 3.44Å; V1048-T1052 PolarHBondContact O-N 2.88Å; V1048-T1052 PolarHBondContact O-OG1 2.79Å |
| 1049 | A | 79.9 | Confident | 73.1 | Confident | 51 Ų | 51 | 105.6 Ų | 105.6 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C1045 T1047 T1052 F1053 | C1045-A1049 WeakPolarHBondContact O-CB 3.46Å; C1045-A1049 PolarHBondContact O-N 3Å; T1047-A1049 VanDerWaalsContact C-N 3.33Å; A1049-T1052 PolarHBondContact O-N 2.89Å; A1049-T1052 PolarHBondContact O-OG1 2.76Å; A1049-F1053 WeakPolarHBondContact O-CB 3.36Å; A1049-F1053 PolarHBondContact O-N 3Å |
| 1050 | L | 79.3 | Confident | 71 | Confident | 110 Ų | 110 | 112 Ų | 112 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.7 | -46 | 175.1 | -100.6 | 163.4 | 0 | 0 | 0 | 112.1 | A1046 T1047 F1053 C1054 | A1046-L1050 WeakPolarHBondContact O-CB 3.25Å; A1046-L1050 PolarHBondContact O-N 2.9Å; T1047-L1050 PolarHBondContact O-N 2.9Å; L1050-F1053 PolarHBondContact O-N 2.86Å; L1050-C1054 VanDerWaalsContact O-CB 3.3Å; L1050-C1054 WeakPolarHBondContact O-CB 3.42Å; L1050-C1054 PolarHBondContact O-N 2.78Å; L1050-C1054 PolarHBondContact O-SG 3.25Å |
| 1051 | I | 76.8 | Confident | 68.8 | Low | 104 Ų | 104 | 119.4 Ų | 119.4 | 53% | 0.533 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.5 | -47.9 | 177.6 | -70.1 | 163.4 | 0 | 0 | 0 | 110.2 | T1047 F1053 C1054 C1055 | T1047-I1051 WeakPolarHBondContact O-CB 3.31Å; T1047-I1051 WeakPolarHBondContact O-CD1 3.3Å; T1047-I1051 WeakPolarHBondContact O-CG1 3.49Å; T1047-I1051 PolarHBondContact O-N 2.88Å; I1051-F1053 VanDerWaalsContact C-N 3.31Å; I1051-F1053 PolarHBondContact O-N 2.83Å; I1051-C1054 PolarHBondContact O-N 2.87Å; I1051-C1055 VanDerWaalsContact O-CB 3.3Å; I1051-C1055 WeakPolarHBondContact O-CB 3.46Å; I1051-C1055 PolarHBondContact O-N 2.98Å; I1051-C1055 PolarHBondContact O-SG 2.94Å |
| 1052 | T | 69.7 | Low | 66.3 | Low | 67 Ų | 67 | 123 Ų | 123 | 41% | 0.411 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.6 | -28.5 | 177.8 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | V1048 A1049 R1056 | V1048-T1052 HydrophobicContact CG1-CG2 4.46Å; V1048-T1052 WeakPolarHBondContact O-CB 3.45Å; V1048-T1052 WeakPolarHBondContact O-CG2 3.44Å; V1048-T1052 PolarHBondContact O-N 2.88Å; V1048-T1052 PolarHBondContact O-OG1 2.79Å; A1049-T1052 PolarHBondContact O-N 2.89Å; A1049-T1052 PolarHBondContact O-OG1 2.76Å; T1052-R1056 WeakPolarHBondContact O-CB 3.19Å; T1052-R1056 WeakPolarHBondContact O-CD 3.07Å; T1052-R1056 VanDerWaalsContact O-CG 3.22Å; T1052-R1056 WeakPolarHBondContact O-CG 3.29Å; T1052-R1056 PolarHBondContact O-N 2.86Å; T1052-R1056 VanDerWaalsContact O-N 3.1Å |
| 1053 | F | 69 | Low | 63.6 | Low | 143 Ų | 143 | 127.5 Ų | 127.5 | 63% | 0.627 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.2 | -45.9 | 172.4 | -157.9 | -92.9 | 0 | 0 | 0 | 111.1 | A1049 L1050 I1051 R1056 Y1057 | A1049-F1053 WeakPolarHBondContact O-CB 3.36Å; A1049-F1053 PolarHBondContact O-N 3Å; L1050-F1053 PolarHBondContact O-N 2.86Å; I1051-F1053 VanDerWaalsContact C-N 3.31Å; I1051-F1053 PolarHBondContact O-N 2.83Å; F1053-R1056 CarbonylContact O-C 3.53Å; F1053-R1056 PolarHBondContact O-N 3.4Å; F1053-Y1057 VanDerWaalsContact O-CB 3.28Å; F1053-Y1057 WeakPolarHBondContact O-CB 3.06Å; F1053-Y1057 PolarHBondContact O-N 3.01Å |
| 1054 | C | 64.7 | Low | 60.8 | Low | 60 Ų | 60 | 132.3 Ų | 132.3 | 41% | 0.405 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.2 | -45.6 | 173.8 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | L1050 I1051 R1056 Y1057 Q1058 | L1050-C1054 VanDerWaalsContact O-CB 3.3Å; L1050-C1054 WeakPolarHBondContact O-CB 3.42Å; L1050-C1054 PolarHBondContact O-N 2.78Å; L1050-C1054 PolarHBondContact O-SG 3.25Å; I1051-C1054 PolarHBondContact O-N 2.87Å; C1054-R1056 PolarHBondContact O-N 2.95Å; C1054-Y1057 PolarHBondContact O-N 2.95Å; C1054-Q1058 WeakPolarHBondContact O-CB 3.32Å; C1054-Q1058 WeakPolarHBondContact O-CG 3.14Å; C1054-Q1058 PolarHBondContact O-N 2.91Å |
| 1055 | C | 58.5 | Low | 58.3 | Low | 73 Ų | 73 | 127.4 Ų | 127.4 | 49% | 0.493 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.7 | -22.2 | 175.8 | -67.9 | 0 | 0 | 0 | 0 | 113.5 | I1051 | I1051-C1055 VanDerWaalsContact O-CB 3.3Å; I1051-C1055 WeakPolarHBondContact O-CB 3.46Å; I1051-C1055 PolarHBondContact O-N 2.98Å; I1051-C1055 PolarHBondContact O-SG 2.94Å |
| 1056 | R | 58.4 | Low | 56 | Low | 197 Ų | 197 | 129.2 Ų | 129.2 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -83.4 | -38.7 | 169.8 | -77.7 | 172.8 | 169.6 | 170.1 | -2.8 | 112.1 | T1052 F1053 C1054 R1059 | T1052-R1056 WeakPolarHBondContact O-CB 3.19Å; T1052-R1056 WeakPolarHBondContact O-CD 3.07Å; T1052-R1056 VanDerWaalsContact O-CG 3.22Å; T1052-R1056 WeakPolarHBondContact O-CG 3.29Å; T1052-R1056 PolarHBondContact O-N 2.86Å; T1052-R1056 VanDerWaalsContact O-N 3.1Å; F1053-R1056 CarbonylContact O-C 3.53Å; F1053-R1056 PolarHBondContact O-N 3.4Å; C1054-R1056 PolarHBondContact O-N 2.95Å; R1056-R1059 PolarHBondContact O-N 2.84Å |
| 1057 | Y | 55.5 | Low | 53.5 | Low | 182 Ų | 182 | 128.6 Ų | 128.6 | 71% | 0.714 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.1 | -38.6 | 180 | -162.5 | -100.3 | 0 | 0 | 0 | 112.5 | F1053 C1054 R1059 Y1060 | F1053-Y1057 VanDerWaalsContact O-CB 3.28Å; F1053-Y1057 WeakPolarHBondContact O-CB 3.06Å; F1053-Y1057 PolarHBondContact O-N 3.01Å; C1054-Y1057 PolarHBondContact O-N 2.95Å; Y1057-R1059 PolarHBondContact O-N 3.43Å; Y1057-Y1060 PolarHBondContact O-N 3.38Å |
| 1058 | Q | 43.3 | Very low | 51.1 | Low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.752 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -68.2 | -11.3 | 178.5 | -76.6 | -174.1 | -17.9 | 0 | 0 | 114.5 | C1054 Y1060 | C1054-Q1058 WeakPolarHBondContact O-CB 3.32Å; C1054-Q1058 WeakPolarHBondContact O-CG 3.14Å; C1054-Q1058 PolarHBondContact O-N 2.91Å; Q1058-Y1060 PolarHBondContact O-N 3.33Å |
| 1059 | R | 41.4 | Very low | 49 | Very low | 225 Ų | 225 | 135 Ų | 135 | 85% | 0.849 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -77.9 | 5.1 | 177.6 | -76.9 | -172.8 | 171.9 | -166.3 | -2.5 | 114.8 | R1056 Y1057 | R1056-R1059 PolarHBondContact O-N 2.84Å; Y1057-R1059 PolarHBondContact O-N 3.43Å |
| 1060 | Y | 40.7 | Very low | 46.7 | Very low | 201 Ų | 201 | 139.5 Ų | 139.5 | 79% | 0.788 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -109.9 | 0.1 | -170.4 | -116.5 | -87.1 | 0 | 0 | 0 | 117.8 | Y1057 Q1058 | Y1057-Y1060 PolarHBondContact O-N 3.38Å; Q1058-Y1060 PolarHBondContact O-N 3.33Å |
| 1061 | R | 34.5 | Very low | 44.2 | Very low | 237 Ų | 237 | 141 Ų | 141 | 89% | 0.894 | 67% | 0.671 | S | S | * | * | trans | -137.4 | 88.2 | 178.8 | -85.1 | -168.2 | 170.4 | -178.4 | -2 | 116.7 | ||||
| 1062 | F | 30.2 | Very low | 41.8 | Very low | 166 Ų | 166 | 140 Ų | 140 | 73% | 0.728 | 68% | 0.679 | S | S | * | * | 47.5 | 113.7 | 120.8 | -86.7 | -110.1 | 0 | 0 | 0 | 122.6 | |||||
| 1063 | R | 30.3 | Very low | 40 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | 80.4 | 127.6 | 125.1 | -81.3 | -169.5 | -177.5 | 157.1 | -2.1 | 123.5 | |||||
| 1064 | K | 29.6 | Very low | 38.3 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | trans | 93.5 | 145.5 | 140.6 | -78 | -173.2 | 171.7 | -167.5 | 0 | 119.9 | ||||
| 1065 | S | 32.2 | Very low | 36.5 | Very low | 57 Ų | 57 | 145.9 Ų | 145.9 | 40% | 0.399 | 71% | 0.713 | S | S | . | * | trans | -118.8 | -161.6 | -176.8 | 60.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1066 | P | 35.8 | Very low | 35.3 | Very low | 107 Ų | 107 | 151.4 Ų | 151.4 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | cis | -139.1 | 168.6 | -2.6 | 41.5 | -24 | 0 | 0 | 0 | 117.2 | ||||
| 1067 | G | 31.3 | Very low | 33.6 | Very low | 40 Ų | 40 | 148.3 Ų | 148.3 | 41% | 0.412 | 74% | 0.739 | S | S | . | * | trans | 67.3 | -176.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1068 | T | 32 | Very low | 32.1 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | cis | -163.5 | 147.2 | -23.6 | 10.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1069 | V | 36.6 | Very low | 31.2 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | trans | 21.1 | 137.8 | 149.8 | -166.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1070 | L | 31 | Very low | 30.4 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | 161.8 | 154.5 | 128.8 | -86.8 | 165.3 | 0 | 0 | 0 | 114.2 | |||||
| 1071 | I | 26.4 | Very low | 29.8 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | trans | 54 | 108.8 | 147.1 | -65.3 | 161 | 0 | 0 | 0 | 116.7 | ||||
| 1072 | A | 26 | Very low | 29.6 | Very low | 85 Ų | 85 | 127 Ų | 127 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | 71.8 | 93.8 | 60.1 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 1073 | N | 33 | Very low | 29.6 | Very low | 136 Ų | 136 | 122.3 Ų | 122.3 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 61.7 | 142.6 | 131.7 | -147.9 | 9 | 0 | 0 | 0 | 122.7 | ||||
| 1074 | H | 32.2 | Very low | 29.7 | Very low | 154 Ų | 154 | 116.8 Ų | 116.8 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | trans | 76.9 | 139.6 | 161.3 | -72 | -60.8 | 0 | 0 | 0 | 123.5 | ||||
| 1075 | S | 27.3 | Very low | 29.7 | Very low | 102 Ų | 102 | 113.9 Ų | 113.9 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | trans | 77.2 | 153 | 145.3 | 77.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 1076 | Q | 33 | Very low | 29.5 | Very low | 190 Ų | 190 | 116.4 Ų | 116.4 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | cis | -167.8 | 151.5 | -18.3 | -112.8 | 170.3 | 0.1 | 0 | 0 | 109.1 | ||||
| 1077 | C | 22.1 | Very low | 29.3 | Very low | 132 Ų | 132 | 117.6 Ų | 117.6 | 89% | 0.892 | 72% | 0.715 | S | S | * | * | trans | -166 | 137.7 | 150.9 | -161.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1078 | G | 24.1 | Very low | 29.2 | Very low | 63 Ų | 63 | 119.4 Ų | 119.4 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | trans | 63.3 | 110.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1079 | S | 26 | Very low | 29 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | cis | 59.8 | 110.7 | 42 | 92.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1080 | I | 24.1 | Very low | 28.8 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 82% | 0.821 | 72% | 0.724 | S | S | * | * | trans | 76.7 | 132.1 | 150.4 | -60.4 | 164.8 | 0 | 0 | 0 | 117.4 | ||||
| 1081 | A | 29 | Very low | 29 | Very low | 72 Ų | 72 | 116.8 Ų | 116.8 | 60% | 0.595 | 72% | 0.722 | S | S | * | * | trans | 68.2 | 138 | 156.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1082 | D | 29.3 | Very low | 29.2 | Very low | 157 Ų | 157 | 116.6 Ų | 116.6 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | 28.8 | 110 | 116.7 | -35 | -33.8 | 0 | 0 | 0 | 116.1 | |||||
| 1083 | G | 30.6 | Very low | 29.8 | Very low | 66 Ų | 66 | 119.3 Ų | 119.3 | 68% | 0.68 | 73% | 0.725 | S | S | * | * | cis | -175.8 | -147.8 | 3.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1084 | S | 32.1 | Very low | 29.6 | Very low | 89 Ų | 89 | 117.8 Ų | 117.8 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | 59.1 | 133 | 77.9 | 89.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1085 | N | 30 | Very low | 29.3 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | trans | 75.5 | 141.8 | 145.1 | -58.7 | -3.9 | 0 | 0 | 0 | 116.9 | ||||
| 1086 | N | 28.2 | Very low | 29.4 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 59% | 0.594 | 73% | 0.73 | S | S | * | * | cis | -147 | 140.5 | -4.2 | -111.4 | -7 | 0 | 0 | 0 | 110.6 | ||||
| 1087 | I | 31.3 | Very low | 29.2 | Very low | 132 Ų | 132 | 118.1 Ų | 118.1 | 68% | 0.677 | 72% | 0.722 | S | S | * | * | 50.7 | 77.9 | 94.4 | -57.2 | -176.8 | 0 | 0 | 0 | 110.7 | T1089 | I1087-T1089 VanDerWaalsContact C-N 3.26Å; I1087-T1089 HydrophobicContact CG2-CG2 3.58Å | |||
| 1088 | G | 28.6 | Very low | 29.5 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | -92 | 35.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1089 | T | 29 | Very low | 29.6 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 61% | 0.613 | 73% | 0.731 | S | S | * | * | trans | 34.2 | 105.5 | 155.3 | 54.9 | 0 | 0 | 0 | 0 | 117.6 | I1087 | I1087-T1089 VanDerWaalsContact C-N 3.26Å; I1087-T1089 HydrophobicContact CG2-CG2 3.58Å | ||
| 1090 | S | 32.6 | Very low | 29.7 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | 119.9 | 163.1 | 86.2 | 64.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1091 | I | 34.2 | Very low | 29.8 | Very low | 137 Ų | 137 | 123.2 Ų | 123.2 | 70% | 0.703 | 71% | 0.713 | S | S | * | * | cis | -143 | 129.4 | 24 | -66.7 | 177 | 0 | 0 | 0 | 111.2 | ||||
| 1092 | N | 30.1 | Very low | 29.7 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | 65.8 | 150.2 | 151.4 | -59.2 | -3.4 | 0 | 0 | 0 | 124.9 | ||||
| 1093 | N | 38.1 | Very low | 29.5 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | trans | 70 | 122.8 | 166.7 | -52.8 | -15.3 | 0 | 0 | 0 | 116.1 | ||||
| 1094 | S | 29.7 | Very low | 29.3 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | cis | 68.5 | 135.5 | 36.8 | 89.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1095 | M | 27.1 | Very low | 29 | Very low | 168 Ų | 168 | 125 Ų | 125 | 83% | 0.828 | 69% | 0.692 | S | S | * | * | cis | -138.5 | 163.7 | 17.8 | -60.7 | 167.4 | 109.4 | 0 | 0 | 113.9 | ||||
| 1096 | N | 28.8 | Very low | 28.8 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | trans | 55.9 | 144.8 | 149.8 | -80.1 | 32.4 | 0 | 0 | 0 | 125.6 | ||||
| 1097 | E | 28.6 | Very low | 28.6 | Very low | 153 Ų | 153 | 121.1 Ų | 121.1 | 72% | 0.715 | 67% | 0.671 | S | S | * | * | trans | 77 | 81.4 | 142.5 | -75.1 | 162.6 | -120.4 | 0 | 0 | 122.6 | ||||
| 1098 | N | 27.6 | Very low | 28.3 | Very low | 153 Ų | 153 | 122.2 Ų | 122.2 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | 43.3 | 95.4 | 111.4 | -60.5 | -15.4 | 0 | 0 | 0 | 120.2 | |||||
| 1099 | K | 27.5 | Very low | 28.1 | Very low | 210 Ų | 210 | 126.4 Ų | 126.4 | 91% | 0.913 | 67% | 0.669 | S | S | * | * | -165.8 | 148.8 | 102.6 | -106.9 | 176.9 | 179.7 | -179.6 | 0 | 113 | |||||
| 1100 | I | 28.3 | Very low | 27.9 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 71% | 0.708 | 67% | 0.667 | S | S | * | * | trans | -109.3 | 161.2 | -174 | -62.4 | 170.9 | 0 | 0 | 0 | 108.2 | H1304 | I1100-H1304 PolarHBondContact O-NE2 2.58Š| ||
| 1101 | S | 25.5 | Very low | 27.6 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 48% | 0.483 | 67% | 0.668 | S | S | . | * | cis | -176.5 | 149.9 | -49.9 | 78 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1102 | K | 27.1 | Very low | 27.1 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 67% | 0.674 | 67% | 0.666 | S | S | * | * | trans | 69.2 | 131.9 | 161.2 | -61.7 | 169 | -176.2 | 176.2 | 0 | 115.4 | ||||
| 1103 | S | 24.9 | Very low | 26.8 | Very low | 82 Ų | 82 | 129.6 Ų | 129.6 | 57% | 0.573 | 67% | 0.668 | S | S | * | * | 68.3 | 94.1 | 50.7 | 82.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1104 | S | 25.4 | Very low | 26.2 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | 73.3 | 140.9 | 91.5 | 72.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1105 | H | 27.4 | Very low | 26 | Very low | 98 Ų | 98 | 132 Ų | 132 | 45% | 0.454 | 67% | 0.667 | S | S | . | * | cis | -146.1 | -95.1 | 24.5 | -120.6 | -85.6 | 0 | 0 | 0 | 114.7 | D1276 Q1277 | H1105-D1276 VanDerWaalsContact C-OD2 3.22Å; H1105-D1276 WeakPolarHBondContact CA-OD2 3.27Å; H1105-D1276 WeakPolarHBondContact CB-OD1 3.5Å; H1105-D1276 WeakPolarHBondContact CB-OD2 3.26Å; H1105-D1276 PolarHBondContact N-OD2 3.46Å; H1105-Q1277 PolarHBondContact CD2-NE2 3.49Å | ||
| 1106 | L | 24.8 | Very low | 26.4 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 42% | 0.419 | 66% | 0.657 | S | S | . | * | trans | -102.1 | 174.6 | -140.9 | -119.3 | 68.5 | 0 | 0 | 0 | 119.5 | N1274 I1275 D1276 | L1106-N1274 VanDerWaalsContact O-CG 3.29Å; L1106-N1274 PolarHBondContact O-ND2 2.87Å; L1106-N1274 PolarHBondContact O-OD1 2.91Å; L1106-I1275 VanDerWaalsContact O-CA 3.24Å; L1106-I1275 WeakPolarHBondContact O-CA 3.44Å; L1106-I1275 PolarHBondContact O-N 3.16Å; L1106-D1276 VanDerWaalsContact CB-OD1 3.25Å; L1106-D1276 WeakPolarHBondContact CB-OD1 3.45Å; L1106-D1276 PolarHBondContact N-OD1 3.08Å; L1106-D1276 PolarHBondContact N-OD2 3.35Å | ||
| 1107 | L | 24.5 | Very low | 26.2 | Very low | 85 Ų | 85 | 129.2 Ų | 129.2 | 45% | 0.445 | 66% | 0.66 | S | S | . | * | trans | 81.7 | 93.9 | 145.3 | -77.2 | 161.1 | 0 | 0 | 0 | 123.6 | N1274 | L1107-N1274 PolarHBondContact N-OD1 3.01Å; L1107-N1274 WeakPolarHBondContact O-CA 3.49Å; L1107-N1274 PolarHBondContact O-OD1 3.33Å | ||
| 1108 | Q | 24.7 | Very low | 26 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | 84 | 100.4 | 113.3 | -168.1 | -178.9 | 34.1 | 0 | 0 | 119.8 | N1274 | Q1108-N1274 PolarHBondContact N-OD1 3.48Š| |||
| 1109 | K | 24.2 | Very low | 26 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 72% | 0.717 | 66% | 0.662 | S | S | * | * | -175.3 | 157.8 | 118.2 | -111.4 | 174.5 | 146.1 | -103.4 | 0 | 117.7 | |||||
| 1110 | D | 24.9 | Very low | 26 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 57% | 0.567 | 65% | 0.649 | S | S | * | * | trans | 71.2 | 149.9 | 144.5 | -60.1 | -22.2 | 0 | 0 | 0 | 124.9 | ||||
| 1111 | H | 26.3 | Very low | 25.8 | Very low | 165 Ų | 165 | 125.1 Ų | 125.1 | 76% | 0.764 | 64% | 0.642 | S | S | * | * | trans | 66.4 | 106.8 | 155.2 | -65.3 | -53.3 | 0 | 0 | 0 | 125.9 | ||||
| 1112 | V | 24.1 | Very low | 26.2 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 68% | 0.679 | 66% | 0.656 | S | S | * | * | 51.4 | 117.6 | 104.3 | -179.9 | 0 | 0 | 0 | 0 | 121 | |||||
| 1113 | Q | 23.8 | Very low | 26.5 | Very low | 167 Ų | 167 | 123.7 Ų | 123.7 | 78% | 0.78 | 64% | 0.644 | S | S | * | * | trans | 70 | 134.2 | 150.8 | -73 | 178.2 | -62.5 | 0 | 0 | 123.8 | ||||
| 1114 | L | 24.4 | Very low | 26.8 | Very low | 130 Ų | 130 | 127 Ų | 127 | 68% | 0.681 | 66% | 0.656 | S | S | * | * | trans | 37 | 119.5 | 143.8 | -77.9 | 93.1 | 0 | 0 | 0 | 123 | ||||
| 1115 | E | 26.4 | Very low | 26.9 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | 61.5 | 168.4 | 127.9 | -80.7 | -158.3 | 116.2 | 0 | 0 | 121.2 | |||||
| 1116 | P | 34.8 | Very low | 27.1 | Very low | 94 Ų | 94 | 135 Ų | 135 | 61% | 0.61 | 69% | 0.686 | S | S | * | * | -131.5 | -161.9 | -64.2 | 33.7 | -12.8 | 0 | 0 | 0 | 112.9 | |||||
| 1117 | L | 24.7 | Very low | 27.3 | Very low | 146 Ų | 146 | 136.9 Ų | 136.9 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | trans | 87.6 | 117.3 | 161.4 | -51.9 | 176 | 0 | 0 | 0 | 120.9 | ||||
| 1118 | L | 25.7 | Very low | 27.8 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | 13 | 143.4 | 117.3 | -61 | 162.4 | 0 | 0 | 0 | 117.7 | |||||
| 1119 | R | 25.6 | Very low | 28.1 | Very low | 202 Ų | 202 | 138.3 Ų | 138.3 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | cis | -163.3 | 156.8 | 33.9 | -146.9 | -167.7 | -169.4 | -179.1 | 3.5 | 113.5 | ||||
| 1120 | S | 27.5 | Very low | 28.3 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | 4.7 | 143.7 | 153.3 | 63 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1121 | E | 25.5 | Very low | 28.3 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 55% | 0.547 | 73% | 0.725 | S | S | . | * | trans | -144.8 | 145.5 | 135.5 | -125.2 | 175.9 | -153.2 | 0 | 0 | 112.3 | I1309 P1310 | E1121-I1309 WeakPolarHBondContact OE2-CA 3.48Å; E1121-I1309 WeakPolarHBondContact OE2-CG1 3.09Å; E1121-I1309 PolarHBondContact OE2-N 3.14Å; E1121-P1310 WeakPolarHBondContact OE1-CB 2.89Å | ||
| 1122 | T | 34.4 | Very low | 28.5 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | trans | -141.7 | 141.7 | 169.9 | 51.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1123 | P | 32.2 | Very low | 28.5 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 44% | 0.435 | 72% | 0.723 | S | S | . | * | -149.1 | 158.8 | 115.5 | 35.7 | -19.5 | 0 | 0 | 0 | 114.8 | |||||
| 1124 | N | 31.5 | Very low | 28.7 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | 175.7 | 122.2 | 113.1 | -87.6 | -14.6 | 0 | 0 | 0 | 111.6 | |||||
| 1125 | M | 27.4 | Very low | 28.9 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 92% | 0.916 | 73% | 0.725 | S | S | * | * | trans | -133.5 | 131.9 | 158.1 | -86 | -170.8 | 67.9 | 0 | 0 | 107.2 | ||||
| 1126 | E | 31.6 | Very low | 29 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | trans | -147.9 | 141.4 | 155.9 | -88 | -151.6 | 107.3 | 0 | 0 | 109.1 | ||||
| 1127 | N | 29.5 | Very low | 28.8 | Very low | 118 Ų | 118 | 137.4 Ų | 137.4 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | trans | 42 | 130.4 | 145.1 | -44 | -32.8 | 0 | 0 | 0 | 118.6 | ||||
| 1128 | D | 34 | Very low | 28.9 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | cis | -152 | 132.4 | 49.9 | -105.5 | -44 | 0 | 0 | 0 | 115.6 | ||||
| 1129 | N | 31.1 | Very low | 29.2 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | 41.2 | 149.8 | 125.7 | -74.6 | -59.3 | 0 | 0 | 0 | 125.3 | |||||
| 1130 | C | 28.5 | Very low | 29.3 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | 71.5 | 111.1 | 165.1 | -61.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1131 | L | 25.7 | Very low | 29.3 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | cis | 95.6 | 131.7 | 38.9 | -166.3 | 111.2 | 0 | 0 | 0 | 112.6 | ||||
| 1132 | E | 29 | Very low | 29.3 | Very low | 170 Ų | 170 | 143.9 Ų | 143.9 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 65.3 | 157.6 | 177.3 | -69.2 | 176.5 | -165 | 0 | 0 | 117.7 | ||||
| 1133 | S | 26.1 | Very low | 29 | Very low | 88 Ų | 88 | 145 Ų | 145 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | cis | -165.2 | 155.8 | -37.4 | 64.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1134 | M | 27.5 | Very low | 28.8 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | 60.4 | 171.8 | 164.5 | -66.9 | -172.2 | 178.4 | 0 | 0 | 117.3 | ||||
| 1135 | D | 29 | Very low | 28.4 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 59% | 0.588 | 77% | 0.769 | S | S | * | * | cis | -162.6 | 151.2 | -45.4 | -178 | 15.4 | 0 | 0 | 0 | 107.9 | ||||
| 1136 | K | 28.5 | Very low | 28.4 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | 47.1 | 115 | 174.3 | -66.3 | 133 | -171.6 | 156.3 | 0 | 119.2 | ||||
| 1137 | G | 28.9 | Very low | 28 | Very low | 80 Ų | 80 | 145.7 Ų | 145.7 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -170.5 | 56.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1138 | K | 27.4 | Very low | 27.9 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | -1.9 | 121.6 | 168.3 | -67.9 | 179.3 | 176.5 | -179.8 | 0 | 119.3 | V1140 | K1138-V1140 HydrophobicContact CB-CG2 4.18Å; K1138-V1140 HydrophobicContact CG-CG2 4.36Å | ||
| 1139 | Y | 32.2 | Very low | 27.7 | Very low | 243 Ų | 243 | 144.7 Ų | 144.7 | 95% | 0.953 | 76% | 0.757 | S | S | * | * | -129 | 150.1 | 129.5 | -103 | -91.9 | 0 | 0 | 0 | 108.3 | |||||
| 1140 | V | 27.2 | Very low | 27.7 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 76% | 0.758 | 76% | 0.761 | S | S | * | * | trans | -139.1 | 143.3 | -151.5 | 176.5 | 0 | 0 | 0 | 0 | 114.5 | K1138 | K1138-V1140 HydrophobicContact CB-CG2 4.18Å; K1138-V1140 HydrophobicContact CG-CG2 4.36Å | ||
| 1141 | G | 27.7 | Very low | 27.8 | Very low | 47 Ų | 47 | 146 Ų | 146 | 49% | 0.485 | 75% | 0.75 | S | S | . | * | trans | 103 | 136.6 | 154.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1142 | W | 27 | Very low | 28.2 | Very low | 250 Ų | 250 | 145.9 Ų | 145.9 | 95% | 0.947 | 75% | 0.746 | S | S | * | * | cis | -140.8 | 132.3 | 1.1 | -67.5 | 73.8 | 0 | 0 | 0 | 107.6 | ||||
| 1143 | H | 27.5 | Very low | 28.3 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | cis | 76.7 | 128.7 | 6.9 | -108.5 | -45.6 | 0 | 0 | 0 | 117.1 | ||||
| 1144 | H | 26.7 | Very low | 28.3 | Very low | 154 Ų | 154 | 145 Ų | 145 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | 75.5 | 147 | 174.3 | -55.1 | 62.4 | 0 | 0 | 0 | 114 | ||||
| 1145 | Y | 23.5 | Very low | 28.6 | Very low | 230 Ų | 230 | 143.5 Ų | 143.5 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | cis | 65.1 | 171 | 20.3 | -80.7 | -79.3 | 0 | 0 | 0 | 113.3 | ||||
| 1146 | P | 28.1 | Very low | 28.5 | Very low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | -92.1 | 157.7 | -142.2 | 35.5 | -38.9 | 0 | 0 | 0 | 118 | ||||
| 1147 | S | 23.9 | Very low | 28.4 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | 66.9 | 120.9 | 142.2 | 60.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1148 | T | 27.2 | Very low | 28.2 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | trans | 86.8 | 129.3 | 130.4 | 46.7 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1149 | T | 28.7 | Very low | 28.3 | Very low | 116 Ų | 116 | 143 Ų | 143 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | trans | 92.1 | 129.1 | 134 | 42.6 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1150 | Q | 31.4 | Very low | 28.1 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | 69.2 | 148.6 | 151.3 | -66.7 | -178.6 | 14.3 | 0 | 0 | 118.2 | ||||
| 1151 | N | 31.6 | Very low | 28 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 60% | 0.599 | 72% | 0.719 | S | S | * | * | cis | -171.6 | 168.4 | -3.4 | -108.9 | -3 | 0 | 0 | 0 | 108.7 | ||||
| 1152 | Q | 32.9 | Very low | 28.2 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | cis | -170.6 | 172.3 | -11.9 | -127.9 | 171 | 3 | 0 | 0 | 110.6 | ||||
| 1153 | T | 31.3 | Very low | 28.2 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | trans | 65.7 | 148.8 | 152.1 | 50.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1154 | L | 26.6 | Very low | 28.3 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 63% | 0.628 | 71% | 0.71 | S | S | * | * | cis | -169 | 163 | -18.1 | -172.2 | 57.2 | 0 | 0 | 0 | 113 | ||||
| 1155 | H | 33.4 | Very low | 28.5 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | trans | 99.7 | 111.9 | 162.5 | -61.3 | -64.5 | 0 | 0 | 0 | 116.4 | ||||
| 1156 | N | 26.8 | Very low | 28.7 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 64% | 0.642 | 69% | 0.692 | S | S | * | * | 80.8 | 107.9 | 52.1 | -67.2 | 14.8 | 0 | 0 | 0 | 114 | |||||
| 1157 | M | 26.4 | Very low | 28.7 | Very low | 189 Ų | 189 | 129.5 Ų | 129.5 | 93% | 0.931 | 69% | 0.693 | S | S | * | * | -171 | 151 | 101.9 | -102.2 | 174.9 | -72.9 | 0 | 0 | 113.8 | |||||
| 1158 | T | 25.9 | Very low | 28.9 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -79.4 | 154.8 | 174.3 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1159 | T | 27.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 131 Ų | 131 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | 173 | 141 | 106.8 | 40.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1160 | N | 27.7 | Very low | 29 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | trans | 52 | 124.8 | 138.8 | -59.2 | 2.4 | 0 | 0 | 0 | 122.5 | ||||
| 1161 | S | 25.8 | Very low | 28.7 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | 47.4 | 136.9 | 128.9 | 74.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1162 | H | 31.4 | Very low | 28.5 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | -166.7 | 160.8 | 50.1 | -114.6 | -72.5 | 0 | 0 | 0 | 111.2 | |||||
| 1163 | N | 28.5 | Very low | 28.2 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | trans | 61.5 | 112.4 | 147.9 | -72.9 | 26.9 | 0 | 0 | 0 | 118.6 | ||||
| 1164 | E | 27.7 | Very low | 27.9 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 65% | 0.654 | 69% | 0.69 | S | S | * | * | 100.5 | 161.3 | 82.5 | -86.3 | 168.4 | 178.5 | 0 | 0 | 110.3 | |||||
| 1165 | F | 30.8 | Very low | 27.9 | Very low | 149 Ų | 149 | 131 Ų | 131 | 65% | 0.654 | 70% | 0.695 | S | S | * | * | cis | -133.1 | 136 | 2.3 | -129.3 | -90.2 | 0 | 0 | 0 | 106.3 | ||||
| 1166 | N | 28.3 | Very low | 27.4 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 59% | 0.588 | 69% | 0.693 | S | S | * | * | trans | 34.6 | 145.5 | 135.9 | -61.4 | 25.7 | 0 | 0 | 0 | 119.5 | ||||
| 1167 | N | 27.8 | Very low | 27.4 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 68% | 0.684 | 69% | 0.692 | S | S | * | * | cis | 167.5 | 176.2 | 22.9 | -103 | 7 | 0 | 0 | 0 | 104.3 | ||||
| 1168 | T | 29 | Very low | 27.3 | Very low | 89 Ų | 89 | 124 Ų | 124 | 55% | 0.546 | 67% | 0.669 | S | S | . | * | cis | -153 | 160.1 | 3.3 | -4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1169 | E | 31.2 | Very low | 27.4 | Very low | 160 Ų | 160 | 124.5 Ų | 124.5 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | trans | 57.9 | 114.6 | 147.2 | -70.9 | 143.5 | -161.7 | 0 | 0 | 119 | ||||
| 1170 | S | 26.5 | Very low | 27.7 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | 74.5 | 139.5 | 58.1 | 79.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1171 | C | 26.1 | Very low | 27.7 | Very low | 106 Ų | 106 | 121 Ų | 121 | 72% | 0.716 | 66% | 0.662 | S | S | * | * | cis | -160.9 | 157.5 | -0.6 | -118.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1172 | D | 26.5 | Very low | 27.7 | Very low | 134 Ų | 134 | 124 Ų | 124 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | trans | 55.6 | 134.1 | 138.8 | -61.9 | -32.4 | 0 | 0 | 0 | 126.5 | ||||
| 1173 | T | 26.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | trans | 75.9 | 103.4 | 137.8 | 51 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1174 | Q | 25.7 | Very low | 27.2 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | 63.1 | 148.5 | 115.1 | -66.3 | -173.2 | -6.4 | 0 | 0 | 124.1 | |||||
| 1175 | F | 24.7 | Very low | 27.1 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 74% | 0.741 | 69% | 0.687 | S | S | * | * | trans | 77.7 | 115.7 | 159.2 | -76 | -68.3 | 0 | 0 | 0 | 122.1 | ||||
| 1176 | N | 24.7 | Very low | 26.9 | Very low | 125 Ų | 125 | 120 Ų | 120 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | trans | 51.9 | 121.1 | 143 | -62.8 | -4.5 | 0 | 0 | 0 | 121.9 | ||||
| 1177 | S | 25.8 | Very low | 26.9 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | 145.5 | 170.8 | 115.5 | 68.5 | 0 | 0 | 0 | 0 | 116.7 | T1743 | S1177-T1743 WeakPolarHBondContact CA-OG1 3.23Š| |||
| 1178 | F | 25.1 | Very low | 26.9 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 45% | 0.447 | 70% | 0.697 | S | S | . | * | trans | -75.5 | 132.1 | -174.9 | -99.2 | -136.3 | 0 | 0 | 0 | 110.4 | T1743 Y1744 | F1178-T1743 HydrophobicContact CB-CG2 3.89Å; F1178-T1743 VanDerWaalsContact CD2-CA 3.44Å; F1178-T1743 VanDerWaalsContact CD2-CB 3.49Å; F1178-T1743 HydrophobicContact CD2-CG2 3.42Å; F1178-T1743 VanDerWaalsContact CD2-CG2 3.42Å; F1178-T1743 VanDerWaalsContact CE2-CA 3.48Å; F1178-T1743 HydrophobicContact CE2-CG2 4.23Å; F1178-T1743 HydrophobicContact CG-CG2 3.98Å; F1178-Y1744 HydrophobicContact CB-CD1 4.37Å; F1178-Y1744 HydrophobicContact CB-CD2 4.33Å; F1178-Y1744 HydrophobicContact CB-CE1 4.44Å; F1178-Y1744 HydrophobicContact CB-CE2 4.37Å; F1178-Y1744 HydrophobicContact CB-CG 4.26Å; F1178-Y1744 AromaticContact CD1-CD2 3.8Å; F1178-Y1744 HydrophobicContact CD1-CD2 3.8Å; F1178-Y1744 AromaticContact CD1-CE2 3.51Å; F1178-Y1744 HydrophobicContact CD1-CE2 3.51Å; F1178-Y1744 VanDerWaalsContact CD2-CB 3.41Å; F1178-Y1744 HydrophobicContact CD2-CD1 4.29Å; F1178-Y1744 AromaticContact CD2-CD2 3.09Å; F1178-Y1744 HydrophobicContact CD2-CD2 3.09Å; F1178-Y1744 AromaticContact CD2-CE2 3.73Å; F1178-Y1744 HydrophobicContact CD2-CE2 3.73Å; F1178-Y1744 AromaticContact CD2-CG 3.36Å; F1178-Y1744 HydrophobicContact CD2-CG 3.36Å; F1178-Y1744 AromaticContact CE1-CD2 3.91Å; F1178-Y1744 HydrophobicContact CE1-CD2 3.91Å; F1178-Y1744 AromaticContact CE1-CE2 3.69Å; F1178-Y1744 HydrophobicContact CE1-CE2 3.69Å; F1178-Y1744 AromaticContact CE2-CD2 3.22Å; F1178-Y1744 HydrophobicContact CE2-CD2 3.22Å; F1178-Y1744 AromaticContact CE2-CE2 3.91Å; F1178-Y1744 HydrophobicContact CE2-CE2 3.91Å; F1178-Y1744 AromaticContact CE2-CG 3.89Å; F1178-Y1744 HydrophobicContact CE2-CG 3.89Å; F1178-Y1744 HydrophobicContact CG-CD1 4.3Å; F1178-Y1744 AromaticContact CG-CD2 3.42Å; F1178-Y1744 HydrophobicContact CG-CD2 3.42Å; F1178-Y1744 VanDerWaalsContact CG-CD2 3.42Å; F1178-Y1744 HydrophobicContact CG-CE1 4.43Å; F1178-Y1744 AromaticContact CG-CE2 3.55Å; F1178-Y1744 HydrophobicContact CG-CE2 3.55Å; F1178-Y1744 AromaticContact CG-CG 3.76Å; F1178-Y1744 HydrophobicContact CG-CG 3.76Å; F1178-Y1744 AromaticContact CZ-CD2 3.65Å; F1178-Y1744 HydrophobicContact CZ-CD2 3.65Å; F1178-Y1744 AromaticContact CZ-CE2 3.89Å; F1178-Y1744 HydrophobicContact CZ-CE2 3.89Å | ||
| 1179 | N | 27.8 | Very low | 26.9 | Very low | 132 Ų | 132 | 123.4 Ų | 123.4 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | -179.6 | 167.2 | 106.2 | -100.1 | -33 | 0 | 0 | 0 | 112.5 | |||||
| 1180 | P | 32.7 | Very low | 26.7 | Very low | 95 Ų | 95 | 122.4 Ų | 122.4 | 62% | 0.617 | 71% | 0.712 | S | S | * | * | trans | -105.3 | 169.7 | -172.2 | 39.6 | -32 | 0 | 0 | 0 | 113.4 | Y1744 | P1180-Y1744 VanDerWaalsContact CD-OH 3.26Å; P1180-Y1744 WeakPolarHBondContact CD-OH 3.27Å | ||
| 1181 | A | 28.5 | Very low | 26.6 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 72% | 0.719 | 71% | 0.711 | S | S | * | * | trans | 137.9 | 132.2 | 134.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1182 | L | 26.3 | Very low | 26.7 | Very low | 152 Ų | 152 | 127 Ų | 127 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | trans | 71.6 | 118.7 | 146.6 | -65 | 167 | 0 | 0 | 0 | 122.2 | ||||
| 1183 | L | 25.6 | Very low | 26.6 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | 78.8 | 117.9 | 128.4 | -73.7 | 171.5 | 0 | 0 | 0 | 122.2 | |||||
| 1184 | A | 24.5 | Very low | 26.6 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 65% | 0.645 | 73% | 0.729 | S | S | * | * | 111.7 | 118.4 | 118 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1185 | L | 24.4 | Very low | 26.6 | Very low | 165 Ų | 165 | 128 Ų | 128 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | 70.6 | 148.6 | 144.8 | -60.1 | 167.8 | 0 | 0 | 0 | 117.9 | ||||
| 1186 | S | 26.3 | Very low | 26.8 | Very low | 74 Ų | 74 | 126.8 Ų | 126.8 | 52% | 0.517 | 73% | 0.725 | S | S | . | * | cis | -168.8 | 165.4 | -16.1 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1187 | H | 28.2 | Very low | 26.9 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | 66.6 | 160.2 | 165.1 | -53.3 | -56.4 | 0 | 0 | 0 | 116.4 | ||||
| 1188 | S | 28.1 | Very low | 26.8 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | cis | -137.9 | 165.8 | 13.7 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1189 | P | 30 | Very low | 26.7 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | -106.5 | 174.4 | -162.8 | 41 | -35.4 | 0 | 0 | 0 | 115.5 | ||||
| 1190 | C | 27.2 | Very low | 26.5 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 94% | 0.939 | 76% | 0.758 | S | S | * | * | trans | -121.4 | 140.8 | 158.8 | -69.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1191 | I | 23.7 | Very low | 25.9 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | trans | -118.1 | 143.2 | -175.2 | -64.3 | 165.1 | 0 | 0 | 0 | 108.7 | ||||
| 1192 | L | 27.7 | Very low | 25.7 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | trans | -141.2 | 118.1 | 142 | -144.4 | 81.1 | 0 | 0 | 0 | 109 | ||||
| 1193 | N | 24.3 | Very low | 25.5 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | -85.8 | 150 | 168.9 | -74.9 | -21.6 | 0 | 0 | 0 | 108.9 | ||||
| 1194 | E | 28.1 | Very low | 25.8 | Very low | 200 Ų | 200 | 132.5 Ų | 132.5 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | -145 | 145.6 | 130 | -128.9 | 169.3 | -142 | 0 | 0 | 109.8 | |||||
| 1195 | T | 25.1 | Very low | 25.8 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 64% | 0.638 | 78% | 0.781 | S | S | * | * | trans | -125.6 | 147.9 | -167.8 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1196 | N | 28.3 | Very low | 26.2 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 175.4 | 149.9 | 130.2 | -88.4 | -25.1 | 0 | 0 | 0 | 113.5 | ||||
| 1197 | N | 27.3 | Very low | 26.3 | Very low | 135 Ų | 135 | 140 Ų | 140 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 50.7 | 118.5 | 152.2 | -53.8 | -19.5 | 0 | 0 | 0 | 119.2 | ||||
| 1198 | V | 23.2 | Very low | 26.2 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | 68.9 | 110.7 | 54.9 | -178.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1199 | G | 23.1 | Very low | 26 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | 129.3 | 122.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1200 | L | 23.3 | Very low | 25.8 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | trans | 75.4 | 167.8 | 138.7 | -67.7 | 162.2 | 0 | 0 | 0 | 120.9 | ||||
| 1201 | Y | 21.9 | Very low | 25.7 | Very low | 220 Ų | 220 | 138 Ų | 138 | 86% | 0.863 | 77% | 0.767 | S | S | * | * | trans | -97.4 | 152.1 | -160.6 | -74.4 | -115.3 | 0 | 0 | 0 | 113.6 | ||||
| 1202 | A | 22.5 | Very low | 25.8 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 72.3 | 154 | 141.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1203 | T | 23.3 | Very low | 25.8 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 84% | 0.84 | 76% | 0.759 | S | S | * | * | trans | 62 | 94.4 | 157.5 | 43.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1204 | A | 31.1 | Very low | 26 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | 25.1 | 129.2 | 122.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1205 | E | 24.1 | Very low | 25.9 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | -172.2 | 137.2 | 136.4 | -102.3 | 163.3 | -157.7 | 0 | 0 | 106.6 | ||||
| 1206 | N | 33.8 | Very low | 25.9 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | cis | 81.7 | 91.9 | 17.1 | -160 | 38.9 | 0 | 0 | 0 | 116.1 | ||||
| 1207 | I | 27.6 | Very low | 26.2 | Very low | 142 Ų | 142 | 135 Ų | 135 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | trans | -132.7 | 105.2 | 176.3 | -69.8 | -177 | 0 | 0 | 0 | 110.5 | ||||
| 1208 | T | 25.6 | Very low | 26.2 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | trans | 49.3 | 145.4 | 140.6 | 72 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1209 | N | 25.5 | Very low | 26.4 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | cis | -147.7 | 163.3 | 12 | -92 | -43.5 | 0 | 0 | 0 | 107.5 | ||||
| 1210 | T | 24.7 | Very low | 26.4 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | cis | -153.2 | 132.5 | -3.1 | 12.1 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 1211 | I | 24.7 | Very low | 26.5 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | 64.4 | 146.2 | 83.6 | -58.7 | 175.1 | 0 | 0 | 0 | 113.3 | |||||
| 1212 | V | 26.8 | Very low | 26.6 | Very low | 119 Ų | 119 | 130 Ų | 130 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | trans | 77.8 | 81 | -170.4 | -165.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1213 | H | 27.9 | Very low | 26.7 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 68% | 0.681 | 72% | 0.721 | S | S | * | * | 54.2 | 102.7 | 84.1 | -63.6 | -78.4 | 0 | 0 | 0 | 113.6 | |||||
| 1214 | N | 27.8 | Very low | 26.9 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | -159.5 | 135.7 | 87.3 | -92.2 | -48.1 | 0 | 0 | 0 | 108.7 | |||||
| 1215 | N | 25.7 | Very low | 26.5 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 54% | 0.54 | 69% | 0.693 | S | S | . | * | 48.7 | 93.9 | 80.8 | -60.3 | -38.6 | 0 | 0 | 0 | 109.7 | |||||
| 1216 | H | 25.3 | Very low | 26.4 | Very low | 163 Ų | 163 | 126.6 Ų | 126.6 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | 102 | 158.9 | 84.5 | -87.7 | -32.2 | 0 | 0 | 0 | 110.4 | |||||
| 1217 | H | 34.5 | Very low | 25.9 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 69% | 0.685 | 67% | 0.672 | S | S | * | * | trans | -16.2 | 133.3 | 158.9 | -72.9 | -61 | 0 | 0 | 0 | 116.2 | N1219 | H1217-N1219 HydrophobicContact CB-CB 3.68Š| ||
| 1218 | P | 27.3 | Very low | 25.7 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 67% | 0.667 | S | S | * | * | -96.2 | 146.7 | 76.3 | 28.2 | -36 | 0 | 0 | 0 | 112.5 | I1220 | P1218-I1220 HydrophobicContact CB-CB 4.43Š| |||
| 1219 | N | 27.9 | Very low | 25.6 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 63% | 0.631 | 67% | 0.666 | S | S | * | * | cis | 49.7 | 60.3 | 0.8 | -128.4 | 24.1 | 0 | 0 | 0 | 115.9 | H1217 | H1217-N1219 HydrophobicContact CB-CB 3.68Š| ||
| 1220 | I | 22.9 | Very low | 25.8 | Very low | 136 Ų | 136 | 127 Ų | 127 | 70% | 0.697 | 67% | 0.672 | S | S | * | * | trans | -163.3 | 102.3 | 143.2 | -96 | 145.3 | 0 | 0 | 0 | 103.4 | P1218 | P1218-I1220 HydrophobicContact CB-CB 4.43Š| ||
| 1221 | Q | 26.4 | Very low | 25.7 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | 60.1 | 91.9 | 71.6 | -62.8 | -178.3 | -19.5 | 0 | 0 | 112.6 | |||||
| 1222 | S | 24.2 | Very low | 25.6 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | trans | -176.6 | 147.3 | 134.2 | 32.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1223 | N | 24.6 | Very low | 25.4 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | cis | -158.1 | 172.9 | -28.7 | -120.7 | -19.4 | 0 | 0 | 0 | 110.7 | ||||
| 1224 | N | 25.7 | Very low | 25.3 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 44% | 0.444 | 68% | 0.681 | S | S | . | * | trans | 82.4 | 114.7 | 177.3 | -51.8 | -42.5 | 0 | 0 | 0 | 112.5 | ||||
| 1225 | T | 22.7 | Very low | 25.4 | Very low | 97 Ų | 97 | 124.8 Ų | 124.8 | 60% | 0.595 | 67% | 0.672 | S | S | * | * | 61.2 | 139.8 | 56.5 | 85.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1226 | Q | 23.5 | Very low | 25.5 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 55% | 0.547 | 67% | 0.67 | S | S | . | * | cis | -160.2 | 136.2 | 25.5 | -149.3 | 151.3 | -33.9 | 0 | 0 | 111.3 | ||||
| 1227 | T | 22.2 | Very low | 25.4 | Very low | 108 Ų | 108 | 120 Ų | 120 | 66% | 0.663 | 66% | 0.655 | S | S | * | * | trans | 60.4 | 158 | 142.5 | 51.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 1228 | N | 22.8 | Very low | 25.1 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 62% | 0.62 | 65% | 0.647 | S | S | * | * | trans | 69.4 | 115.8 | 141.3 | -72 | 7.1 | 0 | 0 | 0 | 120.4 | ||||
| 1229 | H | 23.5 | Very low | 25 | Very low | 145 Ų | 145 | 119.1 Ų | 119.1 | 67% | 0.671 | 65% | 0.647 | S | S | * | * | trans | 71.8 | 138.4 | 131.1 | -58.7 | -42.5 | 0 | 0 | 0 | 117.4 | ||||
| 1230 | H | 29.7 | Very low | 24.9 | Very low | 174 Ų | 174 | 118.9 Ų | 118.9 | 81% | 0.806 | 65% | 0.652 | S | S | * | * | 62.3 | 149 | 59.8 | -92.8 | -86.4 | 0 | 0 | 0 | 113.7 | |||||
| 1231 | I | 23.2 | Very low | 25.1 | Very low | 138 Ų | 138 | 121.4 Ų | 121.4 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | trans | 77.9 | 144.4 | 166.7 | -24 | -177.7 | 0 | 0 | 0 | 116.4 | ||||
| 1232 | L | 22.4 | Very low | 25.3 | Very low | 138 Ų | 138 | 119.7 Ų | 119.7 | 72% | 0.723 | 66% | 0.66 | S | S | * | * | trans | 66.2 | 113.9 | 175.3 | -60.3 | 113.7 | 0 | 0 | 0 | 115.9 | ||||
| 1233 | Q | 23.5 | Very low | 25.3 | Very low | 176 Ų | 176 | 121.4 Ų | 121.4 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | 76.3 | 116.6 | 51.8 | -67.5 | 179.1 | -59.2 | 0 | 0 | 113.9 | |||||
| 1234 | G | 26.6 | Very low | 25.3 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 66% | 0.66 | S | S | * | * | trans | 83.5 | -176 | 156.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1235 | P | 29.5 | Very low | 25.3 | Very low | 82 Ų | 82 | 127 Ų | 127 | 53% | 0.532 | 68% | 0.675 | S | S | . | * | -130.9 | 149 | -78.7 | 34.4 | -24.5 | 0 | 0 | 0 | 112.7 | R611 T1237 | R611-P1235 PolarHBondContact NH2-O 2.81Å; P1235-T1237 PolarHBondContact O-OG1 2.99Å | |||
| 1236 | N | 26.5 | Very low | 25.5 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 49% | 0.487 | 68% | 0.684 | S | S | . | * | trans | 27.4 | 107.4 | 144.3 | -80.2 | -17.7 | 0 | 0 | 0 | 116.4 | R611 | R611-N1236 HydrophobicContact CB-CB 3.79Å; R611-N1236 VanDerWaalsContact CB-O 3.28Å; R611-N1236 WeakPolarHBondContact CB-O 3.31Å; R611-N1236 WeakPolarHBondContact CD-O 3.47Å; R611-N1236 HydrophobicContact CG-CB 4.23Å; R611-N1236 WeakPolarHBondContact CG-O 3.22Å; R611-N1236 VanDerWaalsContact N-CB 3.27Å; R611-N1236 PolarHBondContact N-ND2 3.23Å; R611-N1236 PolarHBondContact NE-O 3.1Å; R611-N1236 PolarHBondContact NH2-O 3.39Å | ||
| 1237 | T | 24.4 | Very low | 25.5 | Very low | 72 Ų | 72 | 127.4 Ų | 127.4 | 44% | 0.442 | 69% | 0.69 | S | S | . | * | trans | -157.1 | 117.8 | 161.7 | -3.2 | 0 | 0 | 0 | 0 | 115.5 | R611 P1235 I1239 | R611-T1237 PolarHBondContact NH2-OG1 2.72Å; P1235-T1237 PolarHBondContact O-OG1 2.99Å; T1237-I1239 HydrophobicContact CG2-CD1 4.29Å; T1237-I1239 HydrophobicContact CG2-CG1 3.99Å | ||
| 1238 | L | 27.8 | Very low | 25.6 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 53% | 0.529 | 70% | 0.698 | S | S | . | * | trans | -62.1 | 117.7 | 150.1 | -81.5 | 159.1 | 0 | 0 | 0 | 110.5 | E608 T610 | E608-L1238 HydrophobicContact CG-CD2 4.43Å; E608-L1238 WeakPolarHBondContact O-CD1 3.36Å; T610-L1238 WeakPolarHBondContact OG1-CB 3.11Å; T610-L1238 WeakPolarHBondContact OG1-CD1 3.4Å; T610-L1238 VanDerWaalsContact OG1-CG 3.27Å; T610-L1238 WeakPolarHBondContact OG1-CG 3.28Å; T610-L1238 PolarHBondContact OG1-N 3.25Å | ||
| 1239 | I | 24.4 | Very low | 25.6 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 72% | 0.718 | 70% | 0.703 | S | S | * | * | trans | -157.9 | 150 | 160.6 | -9.5 | 170.6 | 0 | 0 | 0 | 108 | T1237 | T1237-I1239 HydrophobicContact CG2-CD1 4.29Å; T1237-I1239 HydrophobicContact CG2-CG1 3.99Å | ||
| 1240 | P | 26.6 | Very low | 25.6 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | -126.3 | -179.7 | -69.4 | 40.7 | -29.2 | 0 | 0 | 0 | 112.8 | |||||
| 1241 | F | 26.4 | Very low | 25.3 | Very low | 189 Ų | 189 | 133 Ų | 133 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 143.9 | 162.7 | -82.6 | -96.7 | 0 | 0 | 0 | 112.9 | ||
| 1242 | P | 30.5 | Very low | 25.3 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 132.6 | 139.4 | -0 | 19.6 | 0 | 0 | 0 | 109.6 | ||
| 1243 | N | 23.9 | Very low | 25.3 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 160.9 | 167.1 | -56 | -50.9 | 0 | 0 | 0 | 109.4 | ||
| 1244 | D | 25.1 | Very low | 25.2 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | -169.5 | 165.1 | 66.8 | -154.1 | 2.9 | 0 | 0 | 0 | 114.1 | |||||
| 1245 | R | 26.7 | Very low | 25.1 | Very low | 203 Ų | 203 | 136.6 Ų | 136.6 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | trans | 69.2 | 94.8 | 168.3 | -62.5 | 175.1 | -169.6 | -158.8 | -1.9 | 116.7 | ||||
| 1246 | T | 25.5 | Very low | 24.8 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | 63.7 | 128.1 | 87.6 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1247 | S | 25.1 | Very low | 24.8 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | cis | -172.3 | 164.6 | 1.9 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1248 | R | 24.3 | Very low | 24.8 | Very low | 220 Ų | 220 | 145.8 Ų | 145.8 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | 71 | 122.9 | 150.7 | -86.9 | 176.7 | 175.9 | 166 | -1.3 | 118.7 | ||||
| 1249 | T | 23 | Very low | 24.7 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | 29.8 | 132.9 | 126.2 | 62.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1250 | S | 23 | Very low | 25.1 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | -168.6 | 177 | 61.7 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1251 | Y | 23.1 | Very low | 25.1 | Very low | 218 Ų | 218 | 150.5 Ų | 150.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -38.3 | 152.4 | 157.9 | -45.7 | -91.2 | 0 | 0 | 0 | 115.5 | ||||
| 1252 | L | 23 | Very low | 25.2 | Very low | 160 Ų | 160 | 146 Ų | 146 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | 153 | 106.4 | 145.5 | -83.5 | 159.7 | 0 | 0 | 0 | 107.2 | ||||
| 1253 | S | 23 | Very low | 25.2 | Very low | 89 Ų | 89 | 148.8 Ų | 148.8 | 62% | 0.622 | 76% | 0.763 | S | S | * | * | 88.8 | 140.7 | 73.8 | 71.9 | 0 | 0 | 0 | 0 | 113.9 | Q1255 | S1253-Q1255 PolarHBondContact O-N 2.98Š| |||
| 1254 | Y | 21.3 | Very low | 25.5 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | trans | -42.8 | 127.3 | 171.6 | -105.1 | -116.5 | 0 | 0 | 0 | 112.9 | ||||
| 1255 | Q | 23.9 | Very low | 25.7 | Very low | 185 Ų | 185 | 150.4 Ų | 150.4 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -151.5 | 117.8 | 154.5 | -131.9 | 168.2 | -1.3 | 0 | 0 | 111 | S1253 | S1253-Q1255 PolarHBondContact O-N 2.98Š| ||
| 1256 | S | 23.5 | Very low | 25.8 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | trans | -87.5 | 138.4 | 165.3 | 47 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1257 | H | 26.5 | Very low | 26 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | trans | -171.3 | 173.6 | 149.1 | -99.2 | -53.5 | 0 | 0 | 0 | 111.5 | ||||
| 1258 | I | 24 | Very low | 26.3 | Very low | 154 Ų | 154 | 149.7 Ų | 149.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -114.2 | 164.9 | -168.4 | -54.2 | 162.2 | 0 | 0 | 0 | 108.8 | ||||
| 1259 | I | 25.9 | Very low | 26.7 | Very low | 157 Ų | 157 | 145 Ų | 145 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | 119.4 | 134.5 | 157 | -62.4 | 170.8 | 0 | 0 | 0 | 113.9 | ||||
| 1260 | P | 33.7 | Very low | 27 | Very low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -116.2 | 162.6 | -171.4 | 41.9 | -33 | 0 | 0 | 0 | 115.7 | ||||
| 1261 | Q | 26.4 | Very low | 27.3 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | 179.8 | 130.7 | 131.2 | -103.1 | 176.4 | 2.7 | 0 | 0 | 116 | ||||
| 1262 | S | 28.7 | Very low | 27.6 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | trans | 20 | 139.8 | 145.4 | 56.8 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 1263 | Q | 30 | Very low | 27.9 | Very low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 79.3 | 127.2 | 146.7 | -74.8 | -176.1 | -21.6 | 0 | 0 | 122.2 | ||||
| 1264 | I | 29.4 | Very low | 28.2 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | 179.7 | 151.8 | 108 | -89.6 | 168.3 | 0 | 0 | 0 | 111.1 | |||||
| 1265 | N | 29 | Very low | 28.6 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | trans | -95 | 170.1 | -174.5 | -76.9 | -23.2 | 0 | 0 | 0 | 115 | ||||
| 1266 | T | 29 | Very low | 28.9 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 77% | 0.767 | 73% | 0.73 | S | S | * | * | 174.2 | 149.5 | 117.8 | 35.3 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1267 | N | 31.3 | Very low | 29.2 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | trans | 74.5 | 118.8 | 160.7 | -49.9 | -35.1 | 0 | 0 | 0 | 119.3 | ||||
| 1268 | I | 30.9 | Very low | 29.3 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | cis | 73 | 134.2 | 39.4 | -55.5 | 176.7 | 0 | 0 | 0 | 112.2 | ||||
| 1269 | P | 31.2 | Very low | 29.5 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | cis | -125.4 | -179.9 | 19.1 | 28.8 | -6.3 | 0 | 0 | 0 | 116 | ||||
| 1270 | N | 29.8 | Very low | 29.4 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 70% | 0.704 | S | S | * | * | cis | 122.2 | 129.3 | -3.3 | -158.6 | 14.7 | 0 | 0 | 0 | 115.3 | ||||
| 1271 | G | 29.6 | Very low | 29 | Very low | 57 Ų | 57 | 131.8 Ų | 131.8 | 59% | 0.588 | 71% | 0.705 | S | S | * | * | trans | 117.1 | 143 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1272 | Y | 29 | Very low | 28.9 | Very low | 225 Ų | 225 | 129.1 Ų | 129.1 | 88% | 0.882 | 70% | 0.701 | S | S | * | * | cis | -152.2 | 168.2 | 5 | -120.1 | -89.1 | 0 | 0 | 0 | 113.2 | ||||
| 1273 | H | 30.6 | Very low | 28.8 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | -57 | 153.7 | -173.5 | -68.1 | -102.5 | 0 | 0 | 0 | 116.8 | ||||
| 1274 | N | 29.2 | Very low | 28.5 | Very low | 78 Ų | 78 | 133 Ų | 133 | 42% | 0.417 | 71% | 0.708 | S | S | . | * | 75 | 143.5 | 52.3 | -115.3 | 42.7 | 0 | 0 | 0 | 115.8 | L1106 L1107 Q1108 | L1106-N1274 VanDerWaalsContact O-CG 3.29Å; L1106-N1274 PolarHBondContact O-ND2 2.87Å; L1106-N1274 PolarHBondContact O-OD1 2.91Å; L1107-N1274 PolarHBondContact N-OD1 3.01Å; L1107-N1274 WeakPolarHBondContact O-CA 3.49Å; L1107-N1274 PolarHBondContact O-OD1 3.33Å; Q1108-N1274 PolarHBondContact N-OD1 3.48Å | |||
| 1275 | I | 29.4 | Very low | 28.4 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | trans | 116.3 | 107.8 | 173 | -66.6 | 164.5 | 0 | 0 | 0 | 112.7 | L1106 | L1106-I1275 VanDerWaalsContact O-CA 3.24Å; L1106-I1275 WeakPolarHBondContact O-CA 3.44Å; L1106-I1275 PolarHBondContact O-N 3.16Å | ||
| 1276 | D | 29.5 | Very low | 28.2 | Very low | 46 Ų | 46 | 129.7 Ų | 129.7 | 25% | 0.246 | 71% | 0.706 | C | S | . | * | 88.8 | 148.6 | 68.2 | -104.9 | -26.7 | 0 | 0 | 0 | 115 | H1105 L1106 | H1105-D1276 VanDerWaalsContact C-OD2 3.22Å; H1105-D1276 WeakPolarHBondContact CA-OD2 3.27Å; H1105-D1276 WeakPolarHBondContact CB-OD1 3.5Å; H1105-D1276 WeakPolarHBondContact CB-OD2 3.26Å; H1105-D1276 PolarHBondContact N-OD2 3.46Å; L1106-D1276 VanDerWaalsContact CB-OD1 3.25Å; L1106-D1276 WeakPolarHBondContact CB-OD1 3.45Å; L1106-D1276 PolarHBondContact N-OD1 3.08Å; L1106-D1276 PolarHBondContact N-OD2 3.35Å | |||
| 1277 | Q | 30.3 | Very low | 28.2 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 46% | 0.458 | 71% | 0.706 | S | S | . | * | cis | -159.3 | 175.4 | -10.3 | -154.7 | 175.1 | 16.1 | 0 | 0 | 110.2 | H1105 | H1105-Q1277 PolarHBondContact CD2-NE2 3.49Š| ||
| 1278 | N | 28.6 | Very low | 27.9 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 64% | 0.642 | 70% | 0.701 | S | S | * | * | trans | 104 | 100.9 | 150.7 | -66.1 | -25.7 | 0 | 0 | 0 | 122.3 | ||||
| 1279 | F | 27.5 | Very low | 27.7 | Very low | 181 Ų | 181 | 125.2 Ų | 125.2 | 79% | 0.794 | 69% | 0.687 | S | S | * | * | 57.4 | 115.8 | 123.5 | -81.4 | -82.2 | 0 | 0 | 0 | 123.8 | |||||
| 1280 | S | 24.9 | Very low | 27.5 | Very low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | 107.4 | 124.3 | 118.7 | 74.9 | 0 | 0 | 0 | 0 | 122 | |||||
| 1281 | S | 24.5 | Very low | 27.4 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | trans | 101.6 | 129.8 | 143.5 | 79.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1282 | V | 25.1 | Very low | 27.2 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 78% | 0.782 | 70% | 0.7 | S | S | * | * | trans | 61.2 | 131.3 | 164.4 | -133.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1283 | T | 26.3 | Very low | 27.1 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 70% | 0.698 | S | S | * | * | cis | -160.9 | 168.3 | 43 | -44.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1284 | R | 24.3 | Very low | 26.9 | Very low | 224 Ų | 224 | 124.4 Ų | 124.4 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | trans | -61.1 | 150.8 | 174.8 | -58.1 | 173 | 175.6 | 174.5 | -3.6 | 113.8 | ||||
| 1285 | I | 25.9 | Very low | 26.7 | Very low | 175 Ų | 175 | 126.7 Ų | 126.7 | 90% | 0.897 | 72% | 0.717 | S | S | * | * | 179 | 138.2 | 127.7 | -93.7 | 153.5 | 0 | 0 | 0 | 111.1 | |||||
| 1286 | G | 24.9 | Very low | 26.7 | Very low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | trans | 90.6 | 133.6 | 146 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1287 | L | 29.1 | Very low | 26.6 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | 71.1 | 86.8 | 163.4 | -54.6 | 175 | 0 | 0 | 0 | 118.3 | ||||
| 1288 | T | 26.3 | Very low | 26.8 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 61% | 0.613 | 76% | 0.764 | S | S | * | * | -60.9 | 176.4 | 128.8 | 31.8 | 0 | 0 | 0 | 0 | 110.4 | P255 G256 | P255-T1288 CarbonylContact C-O 3.56Å; P255-T1288 VanDerWaalsContact CB-C 3.47Å; P255-T1288 WeakPolarHBondContact CB-O 3.09Å; P255-T1288 VanDerWaalsContact CB-OG1 3.25Å; P255-T1288 WeakPolarHBondContact CB-OG1 3.44Å; P255-T1288 CarbonylContact O-C 3.59Å; P255-T1288 VanDerWaalsContact O-O 3.1Å; G256-T1288 PolarHBondContact N-O 2.67Å | |||
| 1289 | S | 26 | Very low | 26.8 | Very low | 66 Ų | 66 | 132.6 Ų | 132.6 | 46% | 0.462 | 78% | 0.775 | S | S | . | * | cis | -149.9 | 155.3 | 7.8 | 9.2 | 0 | 0 | 0 | 0 | 111.9 | P255 | P255-S1289 VanDerWaalsContact CB-OG 3.29Å; P255-S1289 WeakPolarHBondContact CB-OG 3.48Å; P255-S1289 VanDerWaalsContact CD-OG 3.28Å; P255-S1289 WeakPolarHBondContact CD-OG 3.42Å; P255-S1289 WeakPolarHBondContact CG-OG 3.4Å; P255-S1289 PolarHBondContact O-N 3.04Å; P255-S1289 PolarHBondContact O-OG 3.13Å | ||
| 1290 | L | 27.2 | Very low | 26.8 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -149.9 | 149.6 | 169.8 | -84.4 | 159.3 | 0 | 0 | 0 | 108.1 | ||||
| 1291 | P | 27.6 | Very low | 26.9 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -65.6 | 141.4 | 164.3 | 29.4 | -33.3 | 0 | 0 | 0 | 109.9 | I1293 | P1291-I1293 PolarHBondContact O-N 3.49Š| ||
| 1292 | L | 24.4 | Very low | 27 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | trans | -74.3 | 125 | -168.5 | -70.8 | 110.6 | 0 | 0 | 0 | 113.6 | ||||
| 1293 | I | 27.6 | Very low | 27.2 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | -112.4 | 137.5 | 150.1 | -63.2 | -179.4 | 0 | 0 | 0 | 107 | P1291 | P1291-I1293 PolarHBondContact O-N 3.49Š| ||
| 1294 | A | 26.7 | Very low | 27.4 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -76.2 | 140.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1295 | P | 25.1 | Very low | 27.5 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -88 | 146.5 | 171.7 | 34.8 | -33.4 | 0 | 0 | 0 | 112.3 | ||||
| 1296 | V | 28.5 | Very low | 27.5 | Very low | 148 Ų | 148 | 123.2 Ų | 123.2 | 90% | 0.897 | 72% | 0.724 | S | S | * | * | trans | -127.4 | 139.3 | 161.4 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1297 | A | 27.2 | Very low | 27.6 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 73% | 0.727 | S | S | * | * | trans | -114.5 | 161.5 | -164.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1298 | P | 35.6 | Very low | 27.6 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | trans | -97.4 | 172.3 | -164.2 | 39.1 | -37.4 | 0 | 0 | 0 | 114.6 | ||||
| 1299 | I | 28.7 | Very low | 27.8 | Very low | 171 Ų | 171 | 125.9 Ų | 125.9 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | trans | -154.8 | 151.1 | 157.2 | -104.8 | 147.2 | 0 | 0 | 0 | 113.5 | ||||
| 1300 | N | 26.4 | Very low | 28.1 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | trans | -42.7 | 134.5 | -169.1 | -61.4 | -8 | 0 | 0 | 0 | 122.7 | ||||
| 1301 | S | 28.1 | Very low | 28.1 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | 3 | 143.6 | 128.4 | 64.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1302 | L | 26.9 | Very low | 28.2 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 68% | 0.681 | 71% | 0.709 | S | S | * | * | -154.6 | 165.2 | 120 | -114.1 | 164 | 0 | 0 | 0 | 111.6 | |||||
| 1303 | Q | 29.5 | Very low | 28.5 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | -101.2 | 165.1 | -164.1 | -63.4 | 159.1 | -86.3 | 0 | 0 | 114.1 | ||||
| 1304 | H | 28.6 | Very low | 28.5 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 56% | 0.56 | 69% | 0.692 | S | S | * | * | trans | 147.3 | 143.5 | 131.1 | -80.4 | -63.7 | 0 | 0 | 0 | 112.3 | I1100 | I1100-H1304 PolarHBondContact O-NE2 2.58Š| ||
| 1305 | I | 27.8 | Very low | 28.5 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 63% | 0.631 | 70% | 0.696 | S | S | * | * | cis | -167.1 | 141.8 | -25.8 | -128.4 | -169.1 | 0 | 0 | 0 | 107.8 | ||||
| 1306 | N | 26.5 | Very low | 28.8 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | trans | 55.6 | 163 | 156.8 | -61.3 | 28.3 | 0 | 0 | 0 | 119.8 | ||||
| 1307 | E | 25.9 | Very low | 28.7 | Very low | 160 Ų | 160 | 122.6 Ų | 122.6 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | cis | -164.5 | 169.3 | -21.2 | -105.3 | 165.1 | 155 | 0 | 0 | 110.3 | ||||
| 1308 | S | 29.8 | Very low | 28.7 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | trans | 69.3 | 106.1 | 156.7 | 52.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 1309 | I | 29.4 | Very low | 28.4 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | 53.9 | 133 | 87.2 | -55.9 | 154.9 | 0 | 0 | 0 | 117.8 | E1121 | E1121-I1309 WeakPolarHBondContact OE2-CA 3.48Å; E1121-I1309 WeakPolarHBondContact OE2-CG1 3.09Å; E1121-I1309 PolarHBondContact OE2-N 3.14Å | |||
| 1310 | P | 33 | Very low | 28.4 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 42% | 0.422 | 69% | 0.686 | S | S | . | * | cis | -151.4 | -176 | -29.6 | 44.1 | -23.9 | 0 | 0 | 0 | 117 | E1121 | E1121-P1310 WeakPolarHBondContact OE1-CB 2.89Š| ||
| 1311 | S | 27.4 | Very low | 28.7 | Very low | 109 Ų | 109 | 125.9 Ų | 125.9 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | 71.8 | 160.6 | 148 | 87 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1312 | S | 28.7 | Very low | 28.8 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | cis | -157.7 | 161 | 3.5 | 73.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1313 | H | 30.7 | Very low | 29 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 82% | 0.819 | 70% | 0.704 | S | S | * | * | trans | 57.3 | 155.3 | 160 | -71.1 | -75.6 | 0 | 0 | 0 | 121 | ||||
| 1314 | S | 27.8 | Very low | 28.8 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | cis | -179.7 | 143.9 | -41.3 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1315 | I | 27.8 | Very low | 28.7 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 80% | 0.795 | 72% | 0.717 | S | S | * | * | trans | 158.8 | 138.2 | 143.3 | -85.4 | 158 | 0 | 0 | 0 | 113.7 | ||||
| 1316 | H | 30.7 | Very low | 28.6 | Very low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.745 | 73% | 0.73 | S | S | * | * | trans | 53.7 | 123.4 | 163.4 | -83 | -64.1 | 0 | 0 | 0 | 124.6 | ||||
| 1317 | D | 26 | Very low | 28.7 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | 88.1 | 126 | 131.7 | -70.9 | 4.3 | 0 | 0 | 0 | 125.4 | ||||
| 1318 | C | 27.2 | Very low | 28.7 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | trans | 81.3 | 134.1 | 149 | -71.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1319 | H | 29.9 | Very low | 28.5 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 88% | 0.884 | 74% | 0.739 | S | S | * | * | trans | 66.1 | 119.4 | 172.1 | -74.9 | -80.4 | 0 | 0 | 0 | 119.5 | ||||
| 1320 | G | 29.3 | Very low | 28.4 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 170.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1321 | Q | 30.9 | Very low | 28 | Very low | 188 Ų | 188 | 136 Ų | 136 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -96 | 155.4 | -168.1 | -60.1 | -178.7 | -68.5 | 0 | 0 | 113.7 | ||
| 1322 | I | 30.5 | Very low | 28 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -92 | 132.3 | -177.2 | -61.9 | 164.4 | 0 | 0 | 0 | 109.8 | ||
| 1323 | P | 30.6 | Very low | 28 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 152.3 | 172.6 | 31.7 | -34.5 | 0 | 0 | 0 | 112 | ||
| 1324 | Q | 26.6 | Very low | 27.8 | Very low | 194 Ų | 194 | 134.3 Ų | 134.3 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73 | 134.2 | -175 | -64.5 | 168.6 | -46.3 | 0 | 0 | 111.8 | ||
| 1325 | L | 26.7 | Very low | 27.7 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 59% | 0.586 | 79% | 0.794 | S | S | * | * | trans | -108.6 | 118.6 | 171.4 | -127.3 | 76.3 | 0 | 0 | 0 | 110.2 | P365 V1327 | P365-L1325 HydrophobicContact CG-CD2 4.06Å; P365-L1325 HydrophobicContact CG-CG 4.48Å; L1325-V1327 PolarHBondContact O-N 2.63Å | ||
| 1326 | T | 25.5 | Very low | 27.7 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -75.9 | 108.1 | 170.7 | 41.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1327 | V | 27.6 | Very low | 27.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 123.8 | 178.8 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | L1325 | L1325-V1327 PolarHBondContact O-N 2.63Š|
| 1328 | A | 26.8 | Very low | 27.7 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 134.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1330 | A1328-Y1330 PolarHBondContact O-N 2.87Š|
| 1329 | P | 26.2 | Very low | 27.7 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 116.6 | -171.8 | 30.9 | -33.8 | 0 | 0 | 0 | 111.9 | ||
| 1330 | Y | 26.1 | Very low | 27.6 | Very low | 232 Ų | 232 | 136.5 Ų | 136.5 | 91% | 0.91 | 80% | 0.795 | S | S | * | * | trans | -163.1 | 147.1 | 135.3 | -78.3 | -54 | 0 | 0 | 0 | 109.8 | A1328 | A1328-Y1330 PolarHBondContact O-N 2.87Š| ||
| 1331 | A | 26.1 | Very low | 27.5 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 62.6 | 86.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1332 | T | 27.4 | Very low | 27.5 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | trans | -128.6 | 124.8 | 151.9 | 40.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1333 | A | 26.7 | Very low | 27.3 | Very low | 82 Ų | 82 | 134.8 Ų | 134.8 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -127.2 | 106.4 | 168 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1334 | S | 26.6 | Very low | 27.3 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | 33.8 | 100.2 | 158.5 | -62.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1335 | L | 26.8 | Very low | 27.3 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -138.6 | 85.9 | 134.5 | -105.3 | 176 | 0 | 0 | 0 | 110 | ||||
| 1336 | I | 26.8 | Very low | 27.5 | Very low | 152 Ų | 152 | 137 Ų | 137 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -113.2 | 109.1 | 158.4 | -61.8 | 176.8 | 0 | 0 | 0 | 106.5 | ||||
| 1337 | H | 29.6 | Very low | 27.7 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -140 | 126.5 | 151 | -141.2 | -75.7 | 0 | 0 | 0 | 107.7 | A1339 | H1337-A1339 PolarHBondContact O-N 2.9Š| ||
| 1338 | N | 28.6 | Very low | 27.7 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -66.7 | 129 | -172.2 | -71.1 | -24 | 0 | 0 | 0 | 110.8 | ||||
| 1339 | A | 27 | Very low | 27.9 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | -71.3 | 137.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 109 | H1337 | H1337-A1339 PolarHBondContact O-N 2.9Š| ||
| 1340 | L | 28.3 | Very low | 28.1 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -165.7 | 132.2 | 152.7 | -108.5 | 163.6 | 0 | 0 | 0 | 110.7 | ||||
| 1341 | N | 27.3 | Very low | 28.2 | Very low | 155 Ų | 155 | 137 Ų | 137 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | 59 | 104.3 | 162 | -60.8 | -21.6 | 0 | 0 | 0 | 119.2 | ||||
| 1342 | G | 28.9 | Very low | 28.5 | Very low | 80 Ų | 80 | 138 Ų | 138 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -159.4 | 37.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K1344 | G1342-K1344 PolarHBondContact O-N 3.12Š| ||
| 1343 | N | 27.7 | Very low | 28.7 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -72.9 | 116.7 | -166.9 | -139.7 | -1.3 | 0 | 0 | 0 | 113.2 | ||||
| 1344 | K | 29.3 | Very low | 28.9 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | trans | 158.8 | 152 | 155.8 | -90.8 | 152.6 | -170.7 | 177.3 | 0 | 111.3 | G1342 | G1342-K1344 PolarHBondContact O-N 3.12Š| ||
| 1345 | N | 28.1 | Very low | 29 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | -179.4 | 114.4 | -27.3 | -109.8 | 7.2 | 0 | 0 | 0 | 108.8 | ||||
| 1346 | T | 29.4 | Very low | 29 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | trans | -158.3 | 83.6 | 161.6 | 45.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1347 | S | 29.8 | Very low | 29.1 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 69.4 | 106.1 | 56.5 | -165.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1348 | T | 28.5 | Very low | 28.9 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | -145.8 | 96 | 156.6 | 45.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1349 | K | 30.9 | Very low | 28.9 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 171.9 | 112.7 | 136.3 | -95.5 | 163.4 | -176.1 | 178.1 | 0 | 112.3 | ||||
| 1350 | N | 30.1 | Very low | 28.8 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 44 | 113.8 | 146.1 | -50.4 | -1.4 | 0 | 0 | 0 | 117.9 | ||||
| 1351 | C | 28.6 | Very low | 28.8 | Very low | 116 Ų | 116 | 141 Ų | 141 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | -164.2 | 152 | 76.8 | -95.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1352 | T | 31.7 | Very low | 28.8 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 52.4 | 97.2 | 152.9 | 54.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1353 | S | 31.6 | Very low | 28.8 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 66.7 | 146.2 | 131.2 | 62.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1354 | P | 31 | Very low | 28.8 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | cis | -132.8 | 151.4 | -15.6 | 37.2 | -20.3 | 0 | 0 | 0 | 116.1 | ||||
| 1355 | T | 28.1 | Very low | 28.7 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 65 | 157.2 | 148.4 | 50.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1356 | F | 27.1 | Very low | 28.8 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | cis | -146.2 | 124.8 | -0.4 | -128.3 | -77.9 | 0 | 0 | 0 | 108.8 | ||||
| 1357 | Y | 29.8 | Very low | 28.8 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | trans | 47.5 | 118.8 | 147.3 | -66.5 | -137.5 | 0 | 0 | 0 | 119.6 | ||||
| 1358 | T | 24.7 | Very low | 28.7 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | 62.6 | 105.9 | 68 | 67 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1359 | M | 28.5 | Very low | 28.8 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | 173.8 | 140 | 139.1 | -79.2 | -126.6 | -104.8 | 0 | 0 | 107.7 | ||||
| 1360 | N | 26.3 | Very low | 28.7 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | 81.3 | 106.5 | 49 | -89.8 | 9.2 | 0 | 0 | 0 | 116.1 | ||||
| 1361 | N | 26.6 | Very low | 28.8 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 86% | 0.856 | 75% | 0.751 | S | S | * | * | trans | 64 | 157.4 | 150.3 | -59.1 | -11.7 | 0 | 0 | 0 | 121.2 | ||||
| 1362 | G | 28.8 | Very low | 28.8 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | trans | 98.5 | 122.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1363 | V | 27.3 | Very low | 28.7 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | cis | 75.2 | 130.1 | 14.4 | -157.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1364 | Y | 28.9 | Very low | 28.4 | Very low | 206 Ų | 206 | 139.1 Ų | 139.1 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | 65.4 | 154.3 | -169.8 | -69.1 | -89.4 | 0 | 0 | 0 | 114.7 | ||||
| 1365 | D | 26.8 | Very low | 28.2 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | cis | -173.8 | -177.2 | -38.9 | -133.1 | -38.6 | 0 | 0 | 0 | 107.1 | ||||
| 1366 | D | 31.2 | Very low | 28.2 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | trans | 66.1 | 127.3 | 170.6 | -70.9 | -45.3 | 0 | 0 | 0 | 116.2 | ||||
| 1367 | N | 27.8 | Very low | 28.3 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | 80.5 | 144.5 | 53 | -70.1 | -48 | 0 | 0 | 0 | 113.9 | |||||
| 1368 | I | 28.8 | Very low | 28.2 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | 68.1 | 102.8 | 172 | -55.4 | 151.3 | 0 | 0 | 0 | 111.8 | ||||
| 1369 | D | 31.2 | Very low | 28.3 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | -158.8 | 164.5 | 66.9 | -112.1 | -39.6 | 0 | 0 | 0 | 114.2 | |||||
| 1370 | T | 28.2 | Very low | 28.5 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 77% | 0.767 | 74% | 0.738 | S | S | * | * | trans | -114.1 | 165.6 | 166.9 | 60 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1371 | P | 31.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | -152.8 | 177.6 | 95.4 | 42.9 | -25.9 | 0 | 0 | 0 | 115.8 | |||||
| 1372 | S | 28.4 | Very low | 28.6 | Very low | 91 Ų | 91 | 138.6 Ų | 138.6 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | 8 | 153 | 143.1 | 71.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1373 | E | 29.5 | Very low | 28.4 | Very low | 172 Ų | 172 | 141.8 Ų | 141.8 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | cis | -169.7 | 143.3 | 23.2 | -145.3 | 160.7 | -137.5 | 0 | 0 | 110.9 | ||||
| 1374 | L | 26.9 | Very low | 28.4 | Very low | 166 Ų | 166 | 140.3 Ų | 140.3 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | trans | 165.3 | 107.9 | 134.6 | -94.2 | 162.4 | 0 | 0 | 0 | 111.9 | ||||
| 1375 | T | 26.8 | Very low | 28.1 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | trans | -94.4 | 149.9 | 175 | 43.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1376 | Y | 27.9 | Very low | 28.1 | Very low | 201 Ų | 201 | 135.3 Ų | 135.3 | 79% | 0.788 | 73% | 0.733 | S | S | * | * | trans | -154.5 | 113.4 | 139.8 | -95.6 | -79.7 | 0 | 0 | 0 | 103.9 | ||||
| 1377 | E | 28 | Very low | 27.8 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 59% | 0.593 | 73% | 0.731 | S | S | * | * | 56.2 | 128.7 | 73.9 | -60.4 | -179 | 165.5 | 0 | 0 | 111.4 | |||||
| 1378 | F | 28.8 | Very low | 27.6 | Very low | 170 Ų | 170 | 133 Ų | 133 | 75% | 0.746 | 73% | 0.732 | S | S | * | * | cis | -115.9 | 155 | 16.2 | -77.9 | -108.4 | 0 | 0 | 0 | 110.7 | ||||
| 1379 | D | 27.2 | Very low | 27.6 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 57% | 0.567 | 73% | 0.734 | S | S | * | * | 56.1 | 142.4 | 61.4 | -73.8 | -29.8 | 0 | 0 | 0 | 113 | N1381 | D1379-N1381 VanDerWaalsContact CG-ND2 3.33Å; D1379-N1381 PolarHBondContact OD1-ND2 3.32Å | |||
| 1380 | E | 30.6 | Very low | 27.3 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | cis | -115.1 | 151.5 | 20.3 | -60.5 | 166.5 | 139.2 | 0 | 0 | 111.9 | ||||
| 1381 | N | 26.8 | Very low | 27.3 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | cis | 72.6 | 69.9 | 44.4 | -69.8 | -34.4 | 0 | 0 | 0 | 116.7 | D1379 | D1379-N1381 VanDerWaalsContact CG-ND2 3.33Å; D1379-N1381 PolarHBondContact OD1-ND2 3.32Å | ||
| 1382 | V | 29.4 | Very low | 27.1 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | trans | -136.9 | 95.8 | 146.2 | -172.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1383 | T | 24.7 | Very low | 27.2 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | trans | -91.8 | 137 | 143 | 54.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1384 | P | 26.9 | Very low | 27.1 | Very low | 96 Ų | 96 | 136 Ų | 136 | 62% | 0.623 | 73% | 0.728 | S | S | * | * | -137 | 167.9 | 87.4 | 40.5 | -26.8 | 0 | 0 | 0 | 111 | |||||
| 1385 | S | 22.7 | Very low | 27.1 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | cis | 61.1 | 158.1 | 39.5 | 82.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1386 | V | 26.2 | Very low | 27.2 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | 61.1 | 79.4 | 172.1 | -169.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1387 | S | 24.6 | Very low | 27.1 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | 91.2 | 128.6 | 69.4 | 74.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1388 | T | 25.1 | Very low | 27.1 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | trans | 70.3 | 149 | 152.2 | 68.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1389 | K | 27.1 | Very low | 27 | Very low | 187 Ų | 187 | 127 Ų | 127 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | 76.3 | 140.3 | 164.7 | -60.1 | 166.8 | -174.1 | 169.9 | 0 | 116.2 | ||||
| 1390 | C | 26.3 | Very low | 27.1 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 66% | 0.655 | 71% | 0.713 | S | S | * | * | cis | -160.8 | 149.8 | -14.5 | -119 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1391 | N | 27.7 | Very low | 26.8 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | 35.9 | 123 | 146.4 | -44.3 | -8.7 | 0 | 0 | 0 | 118.5 | ||||
| 1392 | L | 28.4 | Very low | 27 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | -168.3 | 137.8 | 88.3 | -112.4 | 72.5 | 0 | 0 | 0 | 107.6 | |||||
| 1393 | L | 29 | Very low | 26.9 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 66% | 0.66 | 70% | 0.699 | S | S | * | * | S | Bend | cis | -137.9 | 145.3 | -3.7 | -98.1 | 108.1 | 0 | 0 | 0 | 109.6 | ||
| 1394 | Q | 28.2 | Very low | 27.1 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | 46.9 | 134.8 | 142.8 | -62.4 | -177.5 | -36 | 0 | 0 | 120.4 | ||||
| 1395 | T | 27 | Very low | 27 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 58% | 0.583 | 70% | 0.699 | S | S | * | * | cis | -163.5 | 124.5 | 4.3 | 10 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1396 | Q | 27.5 | Very low | 27.3 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | 81 | 151.5 | 105.8 | -74.8 | -168.9 | -44 | 0 | 0 | 115.8 | |||||
| 1397 | L | 27.1 | Very low | 27.3 | Very low | 107 Ų | 107 | 130 Ų | 130 | 56% | 0.56 | 70% | 0.704 | S | S | * | * | cis | -127.5 | -78.4 | -0.2 | -125.5 | -155.1 | 0 | 0 | 0 | 118.2 | ||||
| 1398 | Q | 28.2 | Very low | 27.5 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | trans | -133.7 | 115.6 | -144.7 | -99.4 | -174.5 | -131.7 | 0 | 0 | 120.7 | ||||
| 1399 | T | 26.4 | Very low | 27.6 | Very low | 100 Ų | 100 | 136 Ų | 136 | 61% | 0.613 | 72% | 0.719 | S | S | * | * | 34.3 | 134.3 | 119.2 | 65.5 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1400 | N | 28.7 | Very low | 27.5 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | -168.2 | 145.3 | 97.2 | -97.1 | -38.1 | 0 | 0 | 0 | 116.2 | |||||
| 1401 | Q | 24.4 | Very low | 27.5 | Very low | 180 Ų | 180 | 138.4 Ų | 138.4 | 84% | 0.841 | 72% | 0.723 | S | S | * | * | trans | -99.3 | -177.1 | 167.4 | -116.4 | 176.6 | 0.3 | 0 | 0 | 108.3 | ||||
| 1402 | P | 31.5 | Very low | 27.5 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | cis | -150.3 | -145.3 | 41.2 | 50.7 | -28.1 | 0 | 0 | 0 | 110.8 | ||||
| 1403 | S | 26.2 | Very low | 27.5 | Very low | 70 Ų | 70 | 135 Ų | 135 | 49% | 0.49 | 71% | 0.712 | S | S | . | * | cis | -175.3 | 165.4 | -44 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1404 | Y | 29.6 | Very low | 27.6 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 79% | 0.788 | 71% | 0.707 | S | S | * | * | trans | 74.6 | 131.2 | 157.9 | -54.6 | -48.2 | 0 | 0 | 0 | 117.2 | ||||
| 1405 | T | 26.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | cis | 89.2 | 148.4 | 34.8 | 70.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1406 | N | 28.4 | Very low | 27.7 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 71% | 0.711 | S | S | * | * | trans | 77.3 | 124.5 | -178.4 | -47.4 | -31 | 0 | 0 | 0 | 112.9 | ||||
| 1407 | A | 25.8 | Very low | 27.8 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | cis | 73.4 | 90.1 | 30.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1408 | C | 29.6 | Very low | 27.8 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | trans | -163.5 | 131 | 136.4 | -102 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1409 | Y | 25.6 | Very low | 27.9 | Very low | 210 Ų | 210 | 135.7 Ų | 135.7 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | 6.5 | 152.2 | 145.2 | -80.9 | -82.2 | 0 | 0 | 0 | 122.9 | ||||
| 1410 | R | 26.2 | Very low | 28.1 | Very low | 212 Ų | 212 | 138.8 Ų | 138.8 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | 85.8 | 113.6 | 137.1 | -92.8 | -179.5 | -175.1 | 169.3 | 3.4 | 119.1 | ||||
| 1411 | T | 26.3 | Very low | 28.3 | Very low | 122 Ų | 122 | 136 Ų | 136 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | 63.5 | 143.5 | 126.3 | 57.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 1412 | S | 26.5 | Very low | 28.5 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | cis | -179.1 | 168.8 | -9.6 | 49.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 1413 | N | 29.2 | Very low | 28.4 | Very low | 132 Ų | 132 | 138 Ų | 138 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 73.5 | 129.7 | 146.8 | -74.8 | 14.5 | 0 | 0 | 0 | 118.9 | ||||
| 1414 | N | 30.1 | Very low | 28.6 | Very low | 103 Ų | 103 | 140 Ų | 140 | 55% | 0.551 | 75% | 0.745 | S | S | * | * | trans | 80.6 | 115.1 | 134.1 | -67.4 | 38.3 | 0 | 0 | 0 | 115.7 | ||||
| 1415 | E | 30.3 | Very low | 28.6 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | 77.9 | 139.9 | 92.6 | -73.7 | 164.4 | -176.1 | 0 | 0 | 110.6 | |||||
| 1416 | E | 27.5 | Very low | 29.1 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | cis | -175.1 | 161.2 | -10.5 | -130.5 | -161.6 | -166.5 | 0 | 0 | 104.1 | ||||
| 1417 | N | 30.1 | Very low | 29.3 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | 62.7 | 148.1 | 169.5 | -50.8 | -56.4 | 0 | 0 | 0 | 115.4 | ||||
| 1418 | G | 27.9 | Very low | 29.7 | Very low | 60 Ų | 60 | 130 Ų | 130 | 62% | 0.619 | 71% | 0.711 | S | S | * | * | cis | 163.6 | 162.1 | -3.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1419 | N | 30.2 | Very low | 29.9 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | trans | 75.3 | 128.4 | 167.1 | -54 | -38.7 | 0 | 0 | 0 | 120.2 | ||||
| 1420 | L | 29.4 | Very low | 30.2 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 86% | 0.859 | 69% | 0.689 | S | S | * | * | trans | -61.9 | 170.7 | 151.7 | -104.2 | 71.9 | 0 | 0 | 0 | 110.9 | ||||
| 1421 | P | 33.4 | Very low | 30.4 | Very low | 100 Ų | 100 | 122 Ų | 122 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | cis | -149.1 | 177.5 | 36.3 | 41.3 | -19.6 | 0 | 0 | 0 | 119.2 | ||||
| 1422 | Q | 27.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | trans | 27.9 | 132.6 | 143.1 | -60.2 | 165.4 | -26.2 | 0 | 0 | 121.3 | ||||
| 1423 | F | 30 | Very low | 30.9 | Very low | 179 Ų | 179 | 125.4 Ų | 125.4 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | 176.4 | 154.4 | 96.8 | -108.7 | -83.2 | 0 | 0 | 0 | 115.1 | |||||
| 1424 | S | 30.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 123.5 Ų | 123.5 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | 58.4 | 136.2 | 151.8 | 53.3 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1425 | S | 30.1 | Very low | 30.9 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 69% | 0.69 | S | S | * | * | trans | -85.4 | -174.4 | 157.1 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1426 | P | 36.7 | Very low | 30.9 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | cis | -147.8 | -147.6 | 26.3 | 44.5 | -20.4 | 0 | 0 | 0 | 115.5 | ||||
| 1427 | G | 32.7 | Very low | 31 | Very low | 39 Ų | 39 | 123.4 Ų | 123.4 | 40% | 0.402 | 69% | 0.685 | S | S | . | * | trans | 137 | 109.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | N1661 | G1427-N1661 VanDerWaalsContact O-CB 3.22Å; G1427-N1661 WeakPolarHBondContact O-CB 3.48Å; G1427-N1661 PolarHBondContact O-ND2 2.66Å | ||
| 1428 | Q | 34.1 | Very low | 30.9 | Very low | 76 Ų | 76 | 122.4 Ų | 122.4 | 36% | 0.355 | 68% | 0.676 | S | S | . | * | trans | -91.9 | 177.5 | -168.6 | -177 | -174.3 | -14.9 | 0 | 0 | 115.9 | I1663 | Q1428-I1663 HydrophobicContact CB-CD1 4.27Å; Q1428-I1663 VanDerWaalsContact CD-CB 3.46Å; Q1428-I1663 HydrophobicContact CG-CB 3.92Å; Q1428-I1663 HydrophobicContact CG-CD1 4.36Å; Q1428-I1663 HydrophobicContact CG-CG2 4.38Å; Q1428-I1663 VanDerWaalsContact NE2-CG2 3.25Å; Q1428-I1663 VanDerWaalsContact OE1-CG2 3.3Å | ||
| 1429 | H | 33.2 | Very low | 31 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 53% | 0.528 | 67% | 0.67 | S | S | . | * | trans | 87.2 | 143 | 157.2 | -68.4 | -74.2 | 0 | 0 | 0 | 115.9 | N1661 | H1429-N1661 PolarHBondContact N-O 2.89Š| ||
| 1430 | D | 31.8 | Very low | 31 | Very low | 125 Ų | 125 | 121.1 Ų | 121.1 | 67% | 0.668 | 65% | 0.65 | S | S | * | * | cis | -165.4 | -171.8 | -3.3 | -115.1 | 4.3 | 0 | 0 | 0 | 109.1 | ||||
| 1431 | L | 30.7 | Very low | 30.9 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 72% | 0.723 | 63% | 0.63 | S | S | * | * | cis | -162.2 | -178.6 | 9.3 | -134.4 | -178.1 | 0 | 0 | 0 | 109.5 | ||||
| 1432 | V | 32.3 | Very low | 30.7 | Very low | 125 Ų | 125 | 116.8 Ų | 116.8 | 76% | 0.758 | 61% | 0.614 | S | S | * | * | trans | 66.5 | 135.9 | 158.5 | 168.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1433 | E | 29.8 | Very low | 30.7 | Very low | 156 Ų | 156 | 117.2 Ų | 117.2 | 73% | 0.729 | 61% | 0.614 | S | S | * | * | cis | 177.8 | 154 | -30.2 | -106.9 | -77.2 | 70.4 | 0 | 0 | 104 | ||||
| 1434 | C | 30.5 | Very low | 30.5 | Very low | 92 Ų | 92 | 112.9 Ų | 112.9 | 62% | 0.622 | 61% | 0.605 | S | S | * | * | cis | -148.5 | -175.3 | 4.3 | -153.9 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 1435 | S | 30.4 | Very low | 30.4 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | cis | -158.4 | 148.5 | 8.4 | 81.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1436 | Q | 30.2 | Very low | 30.2 | Very low | 145 Ų | 145 | 114.4 Ų | 114.4 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | trans | 49.9 | 126.8 | 139.1 | -61.2 | -169.9 | 55.8 | 0 | 0 | 120.2 | ||||
| 1437 | R | 28.7 | Very low | 29.7 | Very low | 177 Ų | 177 | 113.1 Ų | 113.1 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | cis | -161.9 | 139 | 7.4 | -107 | 174.6 | -166.2 | -127.9 | 1.8 | 112.8 | ||||
| 1438 | Q | 28.3 | Very low | 29.5 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | trans | 38.3 | 138.2 | 131.9 | -54.6 | 179.3 | -85.5 | 0 | 0 | 121.7 | ||||
| 1439 | E | 29.2 | Very low | 29.2 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 50% | 0.5 | 64% | 0.641 | S | S | . | * | cis | -154.7 | -115.4 | -4.6 | -116.1 | 177.8 | -105.1 | 0 | 0 | 113.7 | M1668 | E1439-M1668 PolarHBondContact OE2-N 3.28Š| ||
| 1440 | I | 31.6 | Very low | 29.1 | Very low | 96 Ų | 96 | 118.4 Ų | 118.4 | 49% | 0.492 | 65% | 0.65 | S | S | . | * | cis | -158.7 | 153.4 | 2.2 | 29.4 | 173.4 | 0 | 0 | 0 | 114 | I1667 M1668 | I1440-I1667 VanDerWaalsContact C-CB 3.44Å; I1440-I1667 VanDerWaalsContact C-CG2 3.46Å; I1440-I1667 WeakPolarHBondContact O-CG2 3.07Å; I1440-M1668 VanDerWaalsContact CG2-C 3.42Å | ||
| 1441 | R | 26.6 | Very low | 28.9 | Very low | 115 Ų | 115 | 117 Ų | 117 | 43% | 0.434 | 65% | 0.651 | S | S | . | * | trans | -69.6 | -171.9 | 176.8 | -86.1 | 174.2 | 179 | 103.4 | 10.5 | 112.3 | S1666 I1667 M1668 N1669 | R1441-S1666 PolarHBondContact NH1-O 2.99Å; R1441-S1666 PolarHBondContact NH2-O 2.95Å; R1441-S1666 PolarHBondContact NH2-OG 3.02Å; R1441-I1667 HydrophobicContact CB-CB 4.02Å; R1441-I1667 HydrophobicContact CB-CD1 4.42Å; R1441-I1667 HydrophobicContact CB-CG1 4.36Å; R1441-I1667 WeakPolarHBondContact CD-O 3.35Å; R1441-I1667 VanDerWaalsContact CG-C 3.5Å; R1441-I1667 HydrophobicContact CG-CB 3.45Å; R1441-I1667 VanDerWaalsContact CG-CB 3.45Å; R1441-I1667 HydrophobicContact CG-CD1 3.46Å; R1441-I1667 VanDerWaalsContact CG-CD1 3.46Å; R1441-I1667 HydrophobicContact CG-CG1 3.32Å; R1441-I1667 WeakPolarHBondContact CG-O 3.45Å; R1441-I1667 VanDerWaalsContact N-CB 3.32Å; R1441-I1667 PolarHBondContact NE-O 2.82Å; R1441-I1667 PolarHBondContact NH1-O 2.79Å; R1441-M1668 HydrophobicContact CB-CB 4.4Å; R1441-M1668 HydrophobicContact CB-CG 4.15Å; R1441-M1668 HydrophobicContact CG-CG 4.39Å; R1441-N1669 VanDerWaalsContact O-CA 3.31Å; R1441-N1669 WeakPolarHBondContact O-CA 3.46Å; R1441-N1669 PolarHBondContact O-N 3.28Å | ||
| 1442 | N | 29 | Very low | 28.8 | Very low | 58 Ų | 58 | 117.9 Ų | 117.9 | 31% | 0.31 | 66% | 0.655 | S | S | . | * | cis | -166.8 | 150 | 34 | -136.7 | -0 | 0 | 0 | 0 | 117.6 | M1668 N1669 | N1442-M1668 PolarHBondContact ND2-SD 3.37Å; N1442-M1668 VanDerWaalsContact ND2-SD 3.4Å; N1442-N1669 HydrophobicContact CB-CB 3.87Å; N1442-N1669 PolarHBondContact ND2-ND2 2.93Å | ||
| 1443 | K | 28.8 | Very low | 28.8 | Very low | 165 Ų | 165 | 117.2 Ų | 117.2 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | trans | 55.8 | 117 | 160.2 | -69.2 | 168.2 | -176.1 | -175.3 | 0 | 115.5 | ||||
| 1444 | S | 26.2 | Very low | 28.9 | Very low | 87 Ų | 87 | 116.5 Ų | 116.5 | 61% | 0.608 | 65% | 0.653 | S | S | * | * | cis | 58.8 | 126.5 | 48.8 | 88.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1445 | N | 27 | Very low | 29.1 | Very low | 151 Ų | 151 | 119.9 Ų | 119.9 | 81% | 0.807 | 66% | 0.664 | S | S | * | * | trans | 74.9 | 147.8 | 169.6 | -46.9 | -3.5 | 0 | 0 | 0 | 114.5 | ||||
| 1446 | S | 26.1 | Very low | 29.1 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | cis | -179.4 | 155.9 | -19.7 | 50.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1447 | A | 27.3 | Very low | 29 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | trans | 68.2 | 162.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1448 | T | 28.2 | Very low | 29 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 76% | 0.761 | 69% | 0.685 | S | S | * | * | cis | -152.9 | 161.2 | 5.2 | -24.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1449 | S | 28.3 | Very low | 28.9 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | trans | 64.4 | 142.7 | 158.9 | 40.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1450 | S | 30.2 | Very low | 28.9 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | cis | -155.2 | 149.4 | 1.7 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1451 | S | 28 | Very low | 28.8 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | trans | 67.1 | 121.6 | 141.8 | 64.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1452 | L | 28.9 | Very low | 28.8 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | 110.4 | 111.7 | 143.2 | -68.2 | 156 | 0 | 0 | 0 | 120 | ||||
| 1453 | T | 31.4 | Very low | 28.9 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | 68.5 | 109.3 | 147.3 | 55.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 1454 | N | 32.9 | Very low | 29 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | 70.2 | 140.3 | 135.9 | -54.3 | 12.5 | 0 | 0 | 0 | 119.6 | ||||
| 1455 | D | 33.3 | Very low | 29.2 | Very low | 162 Ų | 162 | 147 Ų | 147 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | -164.7 | 136.6 | -67.3 | -99.5 | -33.2 | 0 | 0 | 0 | 107 | |||||
| 1456 | D | 30.2 | Very low | 29.4 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | -129.7 | 172 | -158.6 | -138.1 | -29.4 | 0 | 0 | 0 | 114 | ||||
| 1457 | E | 29.3 | Very low | 29.5 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | 64 | 119.3 | 174.7 | -57.3 | -162.1 | 133.6 | 0 | 0 | 120 | ||||
| 1458 | K | 29.3 | Very low | 29.7 | Very low | 186 Ų | 186 | 149.6 Ų | 149.6 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | -171.4 | 115.7 | 104.6 | -99.2 | 146.6 | -163.9 | 140.4 | 0 | 116.3 | |||||
| 1459 | S | 26.1 | Very low | 29.7 | Very low | 94 Ų | 94 | 151.5 Ų | 151.5 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | 42.3 | 119.3 | 121.1 | 168.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1460 | Y | 29.5 | Very low | 29.8 | Very low | 236 Ų | 236 | 154 Ų | 154 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | -134.9 | 147.4 | 126.6 | -94.6 | -74.7 | 0 | 0 | 0 | 111.8 | |||||
| 1461 | R | 28.2 | Very low | 29.6 | Very low | 218 Ų | 218 | 152.6 Ų | 152.6 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | -145.4 | 136 | -173.4 | 172 | -152.5 | -81.7 | 172.2 | -7.3 | 109.5 | ||||
| 1462 | W | 27.5 | Very low | 29.7 | Very low | 249 Ų | 249 | 155 Ų | 155 | 94% | 0.943 | 76% | 0.757 | S | S | * | * | trans | -126.4 | 169.3 | 158.8 | -91.8 | 102.1 | 0 | 0 | 0 | 111.4 | ||||
| 1463 | K | 30.3 | Very low | 29.7 | Very low | 162 Ų | 162 | 155.6 Ų | 155.6 | 70% | 0.704 | 76% | 0.755 | S | S | * | * | trans | -155.8 | 137.7 | -171.9 | -171.9 | -152.7 | 175.1 | -159.9 | 0 | 111.9 | T1465 | K1463-T1465 WeakPolarHBondContact CE-OG1 3.35Š| ||
| 1464 | K | 30.3 | Very low | 29.6 | Very low | 196 Ų | 196 | 156.8 Ų | 156.8 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | -135.5 | 173.1 | 147.4 | -148 | -178.6 | 177.7 | -176 | 0 | 109.3 | ||||
| 1465 | T | 31.9 | Very low | 29.4 | Very low | 84 Ų | 84 | 158.5 Ų | 158.5 | 52% | 0.515 | 77% | 0.766 | S | S | . | * | trans | -159.9 | 144.8 | -176.1 | -55.5 | 0 | 0 | 0 | 0 | 108.2 | K1463 | K1463-T1465 WeakPolarHBondContact CE-OG1 3.35Š| ||
| 1466 | L | 30.3 | Very low | 29.2 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | -156.3 | 131.8 | 150.9 | -115.4 | 68.5 | 0 | 0 | 0 | 105 | ||||
| 1467 | N | 29.1 | Very low | 29.1 | Very low | 118 Ų | 118 | 153 Ų | 153 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | 64.8 | 130.6 | 81.6 | -68.9 | 74.9 | 0 | 0 | 0 | 113 | |||||
| 1468 | D | 30.7 | Very low | 29 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -140.7 | 149.6 | -9 | -66.5 | -54 | 0 | 0 | 0 | 106.4 | ||||
| 1469 | Q | 28.5 | Very low | 28.9 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | cis | 81.4 | 67.2 | 33.5 | -144 | 178.6 | 5.6 | 0 | 0 | 116.6 | T1471 | Q1469-T1471 HydrophobicContact CG-CG2 4Š| ||
| 1470 | L | 29.6 | Very low | 28.9 | Very low | 165 Ų | 165 | 158.3 Ų | 158.3 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -97.5 | 125.7 | 138.3 | -128 | 75 | 0 | 0 | 0 | 105.9 | ||||
| 1471 | T | 27.3 | Very low | 28.7 | Very low | 74 Ų | 74 | 154.2 Ų | 154.2 | 45% | 0.454 | 74% | 0.737 | S | S | . | * | cis | 68.1 | 120.2 | 29.1 | 82.4 | 0 | 0 | 0 | 0 | 112.4 | Q1469 | Q1469-T1471 HydrophobicContact CG-CG2 4Š| ||
| 1472 | N | 28.4 | Very low | 28.6 | Very low | 146 Ų | 146 | 149 Ų | 149 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | cis | -138.3 | 179.7 | -1 | -63.6 | -63.5 | 0 | 0 | 0 | 107.7 | ||||
| 1473 | E | 30.1 | Very low | 28.7 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 72% | 0.717 | S | S | * | * | cis | -145.2 | 148.8 | 23.4 | -71.7 | -171.1 | 116.3 | 0 | 0 | 114.8 | ||||
| 1474 | L | 29.7 | Very low | 28.5 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 71% | 0.712 | 71% | 0.714 | S | S | * | * | trans | 51.5 | 84.9 | 138 | -65.4 | 163.8 | 0 | 0 | 0 | 120.7 | ||||
| 1475 | D | 28.8 | Very low | 28.3 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 95% | 0.947 | 71% | 0.714 | S | S | * | * | trans | -77.2 | 112.2 | 137.6 | -125.1 | -31.6 | 0 | 0 | 0 | 109 | ||||
| 1476 | S | 27.1 | Very low | 28 | Very low | 76 Ų | 76 | 145.3 Ų | 145.3 | 53% | 0.531 | 73% | 0.727 | S | S | . | * | trans | -173 | 148.3 | 174.3 | 118 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1477 | N | 28.3 | Very low | 27.8 | Very low | 128 Ų | 128 | 144 Ų | 144 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | cis | -161.3 | 167.3 | 6.5 | -110.8 | -28.3 | 0 | 0 | 0 | 110.8 | ||||
| 1478 | Y | 28.2 | Very low | 27.7 | Very low | 200 Ų | 200 | 144.4 Ų | 144.4 | 78% | 0.784 | 73% | 0.726 | S | S | * | * | trans | 21.3 | 126.1 | 148.4 | -74.3 | -112.4 | 0 | 0 | 0 | 121.3 | ||||
| 1479 | F | 26.3 | Very low | 27.6 | Very low | 170 Ų | 170 | 143 Ų | 143 | 75% | 0.746 | 72% | 0.723 | S | S | * | * | 75.3 | 106.3 | 73.6 | -110.7 | -104.4 | 0 | 0 | 0 | 117.3 | |||||
| 1480 | K | 26 | Very low | 27.6 | Very low | 176 Ų | 176 | 141 Ų | 141 | 77% | 0.765 | 72% | 0.721 | S | S | * | * | trans | 41.7 | 153.4 | 138 | -70.7 | -174.7 | 174.4 | 179.2 | 0 | 122.9 | ||||
| 1481 | Q | 25.7 | Very low | 27.5 | Very low | 150 Ų | 150 | 139 Ų | 139 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | 86.1 | 149.6 | 166.7 | -55.4 | -159.1 | 35 | 0 | 0 | 115.5 | ||||
| 1482 | N | 26.1 | Very low | 27.6 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | cis | -165.5 | 169.3 | -24.1 | -104.4 | -20.1 | 0 | 0 | 0 | 109.3 | ||||
| 1483 | H | 29.2 | Very low | 27.7 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | 69.9 | 161 | 158.7 | -61.9 | -49.4 | 0 | 0 | 0 | 119.6 | ||||
| 1484 | S | 26.8 | Very low | 27.6 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | cis | -176.6 | 146.5 | -42.5 | -94.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1485 | K | 26.3 | Very low | 27.6 | Very low | 196 Ų | 196 | 135.5 Ų | 135.5 | 85% | 0.852 | 72% | 0.718 | S | S | * | * | trans | 72.6 | 154.6 | 172.2 | -62.8 | 171.6 | 175.9 | 174.2 | 0 | 113.9 | ||||
| 1486 | M | 24.4 | Very low | 27.5 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 79% | 0.793 | 71% | 0.706 | S | S | * | * | cis | -143.3 | 124.3 | 22.8 | -161.4 | 161.8 | 178.2 | 0 | 0 | 114.3 | ||||
| 1487 | I | 27.4 | Very low | 27.5 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 62% | 0.621 | 72% | 0.719 | S | S | * | * | trans | 41.8 | 124.2 | 134.2 | -47.4 | 172.2 | 0 | 0 | 0 | 117.2 | ||||
| 1488 | V | 27.4 | Very low | 27.4 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | -158.1 | 111.8 | 90.3 | 154.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1489 | T | 28.3 | Very low | 27.3 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | 33.8 | 112.4 | 136.1 | 24.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1490 | T | 27.2 | Very low | 27.2 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | 82.1 | 153.3 | 100.4 | 58.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1491 | T | 29.4 | Very low | 27.2 | Very low | 123 Ų | 123 | 123 Ų | 123 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | cis | -150.3 | 173.5 | 17.5 | -19.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1492 | T | 29.4 | Very low | 27.2 | Very low | 112 Ų | 112 | 123 Ų | 123 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | -58 | 178.4 | 170.4 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1493 | T | 29.3 | Very low | 27.1 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | cis | -166.2 | 173.2 | 37.3 | -23.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1494 | T | 29 | Very low | 26.9 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | trans | -48.2 | 177.4 | 172.6 | 60.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1495 | T | 28 | Very low | 26.8 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | cis | -169.2 | 142.3 | 31.1 | -17.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1496 | T | 27.6 | Very low | 26.7 | Very low | 113 Ų | 113 | 120 Ų | 120 | 69% | 0.693 | 70% | 0.701 | S | S | * | * | trans | 53.4 | 149.3 | 140.6 | 48.6 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 1497 | T | 26.5 | Very low | 26.8 | Very low | 131 Ų | 131 | 119.5 Ų | 119.5 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | 64.8 | 135.1 | 147.2 | 45.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1498 | A | 27.5 | Very low | 26.8 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | cis | 171.7 | -169.3 | -4 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1499 | T | 25.7 | Very low | 26.7 | Very low | 122 Ų | 122 | 114.8 Ų | 114.8 | 75% | 0.748 | 67% | 0.674 | S | S | * | * | trans | 64.1 | 100.9 | 158.3 | 47 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1500 | T | 24.9 | Very low | 26.6 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 74% | 0.742 | 66% | 0.664 | S | S | * | * | 74.6 | 139.9 | 116.5 | -43 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1501 | S | 25.1 | Very low | 26.7 | Very low | 102 Ų | 102 | 110.8 Ų | 110.8 | 71% | 0.713 | 64% | 0.644 | S | S | * | * | trans | 68.1 | 159.8 | 166.7 | 85 | 0 | 0 | 0 | 0 | 114 | ||||
| 1502 | Q | 24.9 | Very low | 26.7 | Very low | 150 Ų | 150 | 112.7 Ų | 112.7 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | cis | -168.2 | 154.5 | -22.7 | -115.4 | 174.9 | -4.7 | 0 | 0 | 104.4 | ||||
| 1503 | Q | 24.8 | Very low | 26.7 | Very low | 155 Ų | 155 | 115.8 Ų | 115.8 | 72% | 0.724 | 65% | 0.651 | S | S | * | * | trans | 60.2 | -176.4 | 155.4 | -68.4 | 174 | -18.7 | 0 | 0 | 114.5 | ||||
| 1504 | Q | 24.3 | Very low | 26.8 | Very low | 138 Ų | 138 | 113.7 Ų | 113.7 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | -143.8 | 163.5 | -57.3 | -112.3 | 172 | -59.3 | 0 | 0 | 108.5 | |||||
| 1505 | N | 25 | Very low | 26.7 | Very low | 117 Ų | 117 | 117.8 Ų | 117.8 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | trans | 58.5 | 119.1 | 152.2 | -56.1 | -6.1 | 0 | 0 | 0 | 117.2 | ||||
| 1506 | S | 25.4 | Very low | 26.7 | Very low | 88 Ų | 88 | 115.6 Ų | 115.6 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | 71.2 | 161.1 | 54 | 87 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1507 | F | 25.6 | Very low | 26.9 | Very low | 149 Ų | 149 | 121.2 Ų | 121.2 | 65% | 0.654 | 67% | 0.673 | S | S | * | * | trans | 84.8 | 102.8 | -168.6 | -60.2 | -82.2 | 0 | 0 | 0 | 113.8 | ||||
| 1508 | T | 27.7 | Very low | 26.8 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | cis | 76 | 167.6 | 34.1 | 84 | 0 | 0 | 0 | 0 | 113.2 | Y1616 | T1508-Y1616 CarbonylContact C-O 3.57Š| ||
| 1509 | S | 25.7 | Very low | 27 | Very low | 53 Ų | 53 | 127.1 Ų | 127.1 | 37% | 0.371 | 68% | 0.68 | S | S | . | * | cis | -139.4 | -96.6 | 12.6 | -35.5 | 0 | 0 | 0 | 0 | 118.4 | Y1616 | S1509-Y1616 WeakPolarHBondContact CA-O 3.39Å; S1509-Y1616 WeakPolarHBondContact CB-O 3.5Å; S1509-Y1616 PolarHBondContact N-O 3.31Å; S1509-Y1616 PolarHBondContact OG-N 3.44Å; S1509-Y1616 PolarHBondContact OG-O 2.88Å | ||
| 1510 | K | 26.9 | Very low | 27 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 40% | 0.404 | 67% | 0.674 | S | S | . | * | trans | -164.9 | 139.4 | -132 | 171.9 | -126.9 | 103.5 | -86.8 | 0 | 114 | E1615 L1617 | K1510-E1615 WeakPolarHBondContact CD-OE1 3.41Å; K1510-E1615 WeakPolarHBondContact CE-OE1 3.26Å; K1510-E1615 IonicContact NZ-OE1 2.65Å; K1510-E1615 PolarHBondContact NZ-OE1 2.62Å; K1510-L1617 VanDerWaalsContact C-CD2 3.43Å; K1510-L1617 VanDerWaalsContact O-CG 3.23Å; K1510-L1617 WeakPolarHBondContact O-CG 2.96Å | ||
| 1511 | S | 28.7 | Very low | 27.3 | Very low | 47 Ų | 47 | 131.1 Ų | 131.1 | 33% | 0.329 | 68% | 0.682 | S | S | . | * | trans | 101.7 | 159 | 172.7 | 74.7 | 0 | 0 | 0 | 0 | 116 | L1617 | S1511-L1617 VanDerWaalsContact O-CD2 3.27Å; S1511-L1617 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1512 | E | 29.9 | Very low | 27.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 76% | 0.757 | 68% | 0.684 | S | S | * | * | cis | -119.3 | 138.6 | 15.2 | -69.7 | 168.8 | 163.6 | 0 | 0 | 111.7 | ||||
| 1513 | Q | 28.6 | Very low | 27.9 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | 92.9 | 128.6 | 54 | -153.5 | 177.8 | 18.3 | 0 | 0 | 112.2 | |||||
| 1514 | G | 30.2 | Very low | 28.1 | Very low | 75 Ų | 75 | 132.6 Ų | 132.6 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | 173.5 | 135.3 | -177 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1515 | E | 27.8 | Very low | 28.3 | Very low | 198 Ų | 198 | 133.5 Ų | 133.5 | 93% | 0.925 | 69% | 0.688 | S | S | * | * | trans | -108.5 | 165.1 | -163 | -53.8 | -177.8 | 126.6 | 0 | 0 | 113.8 | ||||
| 1516 | G | 27.4 | Very low | 28.5 | Very low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | trans | 166.4 | 107.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1517 | Y | 32.7 | Very low | 28.5 | Very low | 231 Ų | 231 | 137.4 Ų | 137.4 | 91% | 0.906 | 70% | 0.699 | S | S | * | * | trans | 64.6 | 80 | 150.4 | -59.9 | -72.9 | 0 | 0 | 0 | 121.5 | ||||
| 1518 | L | 25.3 | Very low | 28.5 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | trans | -20 | 140.7 | 134.3 | -157 | 84.9 | 0 | 0 | 0 | 117 | ||||
| 1519 | F | 30.3 | Very low | 28.5 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | -159.5 | 142.4 | 117.3 | -105.2 | -68 | 0 | 0 | 0 | 110.9 | |||||
| 1520 | C | 25.4 | Very low | 28.9 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 62% | 0.622 | 72% | 0.724 | S | S | * | * | trans | -121.9 | 152.3 | -173.6 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1521 | Y | 32 | Very low | 29.3 | Very low | 234 Ų | 234 | 141.5 Ų | 141.5 | 92% | 0.918 | 74% | 0.741 | S | S | * | * | trans | -140.1 | 132.3 | 147.7 | -113.7 | -83.3 | 0 | 0 | 0 | 110.7 | ||||
| 1522 | N | 29.2 | Very low | 29.4 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | trans | -106.8 | 140.1 | 171.1 | -88.4 | -41.3 | 0 | 0 | 0 | 108.6 | ||||
| 1523 | D | 33.3 | Very low | 29.4 | Very low | 126 Ų | 126 | 147 Ų | 147 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | trans | -169.3 | 116.6 | 132.3 | -96 | -14.9 | 0 | 0 | 0 | 109 | ||||
| 1524 | K | 28.9 | Very low | 29.4 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | 90.5 | 98 | 74.9 | -84.4 | -164.7 | -159 | 93.3 | 0 | 113.4 | |||||
| 1525 | Q | 28.8 | Very low | 29.5 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 37.5 | 116.3 | 138.3 | -62.9 | 178.1 | -16.1 | 0 | 0 | 119.6 | I1527 | Q1525-I1527 HydrophobicContact CG-CD1 4.42Å; Q1525-I1527 HydrophobicContact CG-CG1 4.49Å | ||
| 1526 | I | 28.1 | Very low | 30 | Very low | 160 Ų | 160 | 141 Ų | 141 | 82% | 0.821 | 75% | 0.751 | S | S | * | * | -120.2 | 119.7 | 116.2 | -64.6 | -176.5 | 0 | 0 | 0 | 107.8 | |||||
| 1527 | I | 26 | Very low | 30.3 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 65% | 0.651 | 76% | 0.755 | S | S | * | * | trans | -89.5 | 107 | 170.7 | -63.6 | 165 | 0 | 0 | 0 | 106.8 | Q1525 | Q1525-I1527 HydrophobicContact CG-CD1 4.42Å; Q1525-I1527 HydrophobicContact CG-CG1 4.49Å | ||
| 1528 | L | 26 | Very low | 30.1 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 121.8 | 161.1 | -81.2 | 165.2 | 0 | 0 | 0 | 107.5 | ||
| 1529 | P | 28.1 | Very low | 30.3 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 63% | 0.63 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 154 | 173.7 | 29.6 | -34.5 | 0 | 0 | 0 | 109.5 | ||
| 1530 | P | 34 | Very low | 30.3 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 72% | 0.721 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 141.3 | 167.3 | 27.1 | -34.2 | 0 | 0 | 0 | 108.8 | ||
| 1531 | P | 35.4 | Very low | 30.2 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -55 | 136.2 | 171.3 | 24.7 | -33.2 | 0 | 0 | 0 | 108.4 | K1533 | P1531-K1533 PolarHBondContact O-N 3.18Š|
| 1532 | P | 30.6 | Very low | 30.2 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 136.5 | -178.6 | 25.5 | -33.9 | 0 | 0 | 0 | 108.8 | S1534 | P1532-S1534 PolarHBondContact O-N 2.82Š|
| 1533 | K | 29.3 | Very low | 30.2 | Very low | 204 Ų | 204 | 135.4 Ų | 135.4 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | trans | -54.7 | 110.5 | 169.7 | -75.1 | -174.6 | 176.3 | -177.8 | 0 | 107.4 | P1531 | P1531-K1533 PolarHBondContact O-N 3.18Š| ||
| 1534 | S | 29.6 | Very low | 30 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 130.3 | 159.9 | 31.8 | 0 | 0 | 0 | 0 | 106.9 | P1532 | P1532-S1534 PolarHBondContact O-N 2.82Š|
| 1535 | P | 32 | Very low | 30.1 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 147.1 | 169.5 | 27.8 | -33.5 | 0 | 0 | 0 | 108 | ||
| 1536 | P | 38.1 | Very low | 30 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 142.7 | 170.6 | 26.1 | -34 | 0 | 0 | 0 | 108.8 | ||
| 1537 | P | 33.6 | Very low | 30 | Very low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 135.7 | 171.9 | 24.9 | -33.3 | 0 | 0 | 0 | 108.3 | A1539 | P1537-A1539 PolarHBondContact O-N 2.95Š|
| 1538 | P | 29.2 | Very low | 30.2 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 127.1 | -178.6 | 25.3 | -33.4 | 0 | 0 | 0 | 108.6 | ||
| 1539 | A | 28.2 | Very low | 30.4 | Very low | 78 Ų | 78 | 127.5 Ų | 127.5 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 138.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P1537 R1541 | P1537-A1539 PolarHBondContact O-N 2.95Å; A1539-R1541 VanDerWaalsContact C-N 3.26Å; A1539-R1541 PolarHBondContact O-N 3.41Å |
| 1540 | P | 30.1 | Very low | 30.4 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | trans | -67.7 | 85.6 | -177.7 | 27.6 | -34.6 | 0 | 0 | 0 | 110.3 | Y1542 | P1540-Y1542 HydrophobicContact CB-CD2 4.49Å; P1540-Y1542 PolarHBondContact O-N 3.25Å | ||
| 1541 | R | 24.2 | Very low | 30.1 | Very low | 214 Ų | 214 | 130 Ų | 130 | 81% | 0.808 | 71% | 0.709 | S | S | * | * | trans | -67.6 | 84.3 | 167.1 | -80.4 | -171.8 | 172.1 | -172.5 | -1.8 | 108.8 | A1539 N1543 | A1539-R1541 VanDerWaalsContact C-N 3.26Å; A1539-R1541 PolarHBondContact O-N 3.41Å; R1541-N1543 PolarHBondContact O-N 2.98Å | ||
| 1542 | Y | 31.8 | Very low | 29.8 | Very low | 229 Ų | 229 | 131.2 Ų | 131.2 | 90% | 0.898 | 71% | 0.709 | S | S | * | * | trans | -71.6 | 58 | 151.9 | -83.1 | -82.4 | 0 | 0 | 0 | 110.3 | P1540 | P1540-Y1542 HydrophobicContact CB-CD2 4.49Å; P1540-Y1542 PolarHBondContact O-N 3.25Å | ||
| 1543 | N | 29.9 | Very low | 29.6 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 56% | 0.561 | 71% | 0.71 | S | S | * | * | trans | -83.3 | 136.1 | 144.7 | -84.2 | 16.3 | 0 | 0 | 0 | 106.1 | R1541 | R1541-N1543 PolarHBondContact O-N 2.98Š| ||
| 1544 | H | 27.9 | Very low | 29.6 | Very low | 162 Ų | 162 | 130 Ų | 130 | 75% | 0.75 | 70% | 0.703 | S | S | * | * | trans | 149.1 | 127.7 | 130.9 | -80.6 | -69.7 | 0 | 0 | 0 | 112.3 | ||||
| 1545 | T | 30.4 | Very low | 29.4 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 58% | 0.577 | 70% | 0.702 | S | S | * | * | cis | 175.8 | 172.1 | -23.9 | 20.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1546 | I | 27.7 | Very low | 29.3 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 60% | 0.6 | 71% | 0.708 | S | S | * | * | trans | 70.9 | 116.6 | 138.9 | -77 | 156.6 | 0 | 0 | 0 | 117 | ||||
| 1547 | H | 28.6 | Very low | 28.8 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 59% | 0.588 | 71% | 0.707 | S | S | * | * | 175.6 | 144.4 | 114.8 | -84.8 | -64.3 | 0 | 0 | 0 | 106.2 | P614 | P614-H1547 HydrophobicContact CB-CB 3.63Å; P614-H1547 HydrophobicContact CG-CB 3.74Å | |||
| 1548 | D | 29.9 | Very low | 28.5 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 57% | 0.572 | 71% | 0.709 | S | S | * | * | cis | -158.8 | 161.7 | -2.1 | -128.6 | 7.2 | 0 | 0 | 0 | 113.7 | ||||
| 1549 | N | 29.1 | Very low | 28.4 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 64% | 0.642 | 71% | 0.707 | S | S | * | * | trans | 64.1 | 129.9 | 144.7 | -62.5 | -28.6 | 0 | 0 | 0 | 124.2 | ||||
| 1550 | N | 28.9 | Very low | 28.9 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 68% | 0.684 | 71% | 0.712 | S | S | * | * | trans | 79.9 | 103.2 | 137.3 | -60 | 5.4 | 0 | 0 | 0 | 122 | ||||
| 1551 | D | 28.1 | Very low | 28.7 | Very low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | 68 | 148.2 | 119.1 | -58.1 | -29.4 | 0 | 0 | 0 | 123.1 | |||||
| 1552 | N | 29.7 | Very low | 28.9 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | 74.5 | 110.3 | -178.3 | -47.3 | -73.3 | 0 | 0 | 0 | 113.1 | ||||
| 1553 | I | 26 | Very low | 28.8 | Very low | 154 Ų | 154 | 135.3 Ų | 135.3 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | 57.9 | 92.7 | 66 | -52.8 | 168.2 | 0 | 0 | 0 | 111.2 | |||||
| 1554 | I | 29.6 | Very low | 28.7 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | trans | -160.9 | 140.6 | 139.6 | -101.9 | 151 | 0 | 0 | 0 | 108.4 | Y1556 | I1554-Y1556 HydrophobicContact CG2-CD2 3.95Å; I1554-Y1556 HydrophobicContact CG2-CE2 3.86Å | ||
| 1555 | N | 25.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 138 Ų | 138 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | trans | -86.6 | 130 | 177.4 | -70.9 | -33.3 | 0 | 0 | 0 | 111.3 | Q1557 | N1555-Q1557 HydrophobicContact CB-CB 4.49Š| ||
| 1556 | Y | 30.1 | Very low | 28.7 | Very low | 216 Ų | 216 | 139.2 Ų | 139.2 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | trans | -151.9 | 116.3 | 145.6 | -68.2 | -74.8 | 0 | 0 | 0 | 107.1 | I1554 | I1554-Y1556 HydrophobicContact CG2-CD2 3.95Å; I1554-Y1556 HydrophobicContact CG2-CE2 3.86Å | ||
| 1557 | Q | 25.8 | Very low | 28.5 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | cis | 62 | 74.3 | -5.5 | -152.2 | 175.1 | 25.4 | 0 | 0 | 117.9 | N1555 | N1555-Q1557 HydrophobicContact CB-CB 4.49Š| ||
| 1558 | C | 27.5 | Very low | 28.4 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | -166.9 | 116.2 | 122.7 | -95.6 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 1559 | S | 28.2 | Very low | 28.1 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | 110.2 | 166.9 | 60.3 | 71.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1560 | P | 37.2 | Very low | 27.9 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | trans | -118.6 | -170.6 | -143.6 | 44 | -36.1 | 0 | 0 | 0 | 114.3 | ||||
| 1561 | I | 27.8 | Very low | 27.6 | Very low | 172 Ų | 172 | 138 Ų | 138 | 88% | 0.882 | 71% | 0.714 | S | S | * | * | trans | -166.4 | 166.7 | 139 | -102.9 | 153.2 | 0 | 0 | 0 | 111 | ||||
| 1562 | K | 27.1 | Very low | 27.5 | Very low | 176 Ų | 176 | 136.3 Ų | 136.3 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | -143.4 | 140.7 | -171.8 | -148.6 | -165.9 | -178.1 | -171.6 | 0 | 108.7 | ||||
| 1563 | I | 29.9 | Very low | 27.3 | Very low | 126 Ų | 126 | 135 Ų | 135 | 65% | 0.646 | 71% | 0.714 | S | S | * | * | trans | 68.6 | 127.7 | 164 | -60.2 | 153.7 | 0 | 0 | 0 | 116.7 | ||||
| 1564 | D | 28.7 | Very low | 27.3 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 88% | 0.877 | 71% | 0.708 | S | S | * | * | -162.5 | 162.2 | 119.6 | -104.2 | -23.1 | 0 | 0 | 0 | 110.9 | |||||
| 1565 | E | 28.6 | Very low | 27.1 | Very low | 161 Ų | 161 | 132.5 Ų | 132.5 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | trans | -117.6 | 164 | -170.6 | -71.3 | -172.8 | 117 | 0 | 0 | 114.3 | ||||
| 1566 | H | 28.1 | Very low | 27.1 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 55% | 0.546 | 71% | 0.714 | S | S | . | * | trans | 78.1 | 127.2 | 149.6 | -74.6 | -42.7 | 0 | 0 | 0 | 123.3 | ||||
| 1567 | Q | 25.2 | Very low | 26.8 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 49% | 0.486 | 71% | 0.708 | S | S | . | * | trans | 70.6 | 147.8 | 135.7 | -66.2 | 177.3 | -79 | 0 | 0 | 118.4 | ||||
| 1568 | E | 24.8 | Very low | 26.8 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 50% | 0.5 | 72% | 0.715 | S | S | . | * | cis | -158.9 | -179.6 | -9.5 | -124.4 | 168.9 | -157.5 | 0 | 0 | 111.5 | H1685 | E1568-H1685 IonicContact OE1-CE1 2.65Š| ||
| 1569 | Y | 24.6 | Very low | 26.8 | Very low | 170 Ų | 170 | 126 Ų | 126 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | trans | 20.1 | 145.1 | 153.5 | -64.8 | -59.6 | 0 | 0 | 0 | 121.6 | ||||
| 1570 | S | 24.3 | Very low | 26.9 | Very low | 87 Ų | 87 | 126.3 Ų | 126.3 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | cis | -179.5 | 165.2 | 3.5 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1571 | S | 23.8 | Very low | 26.6 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | trans | 62.4 | 156.4 | 153.5 | 67.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1572 | S | 25.2 | Very low | 26.6 | Very low | 96 Ų | 96 | 124.2 Ų | 124.2 | 67% | 0.671 | 71% | 0.706 | S | S | * | * | cis | -174 | 153.9 | -20.8 | 48.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1573 | S | 26 | Very low | 26.7 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | 60.8 | 158.4 | 168.1 | 34.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1574 | S | 25.4 | Very low | 26.7 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | cis | -168 | 154 | -14.8 | 46.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1575 | L | 25.3 | Very low | 26.9 | Very low | 150 Ų | 150 | 120.8 Ų | 120.8 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | 54.6 | 124.8 | 148.4 | -66.2 | 166 | 0 | 0 | 0 | 121.1 | ||||
| 1576 | L | 25 | Very low | 27.6 | Very low | 146 Ų | 146 | 117.9 Ų | 117.9 | 76% | 0.764 | 70% | 0.695 | S | S | * | * | trans | 63.9 | 103.7 | 138.2 | -65.4 | 167.6 | 0 | 0 | 0 | 121.1 | ||||
| 1577 | S | 24.7 | Very low | 28 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 72% | 0.72 | 71% | 0.707 | S | S | * | * | 83.5 | 151.4 | 121.9 | 78.4 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1578 | S | 26.2 | Very low | 28.3 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | trans | 82.8 | 167.7 | 158 | 82.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1579 | S | 26.7 | Very low | 28.7 | Very low | 101 Ų | 101 | 120.2 Ų | 120.2 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | trans | -99.5 | 165.3 | -165.1 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1580 | S | 29.9 | Very low | 29.2 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | 74.9 | 144.2 | 174.6 | 78.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1581 | S | 30.4 | Very low | 29.5 | Very low | 91 Ų | 91 | 117.4 Ų | 117.4 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -174 | 157.9 | -13 | 47.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1582 | L | 29.1 | Very low | 30.1 | Very low | 152 Ų | 152 | 119.6 Ų | 119.6 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | 68.6 | 157.8 | 157.9 | -64 | 153 | 0 | 0 | 0 | 117.7 | ||||
| 1583 | T | 28.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 63% | 0.632 | 74% | 0.741 | S | S | * | * | -169.3 | 166.6 | -52.7 | 22.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1584 | H | 30.6 | Very low | 30.8 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 75.4 | 152.6 | 162.4 | -67.7 | -67.3 | 0 | 0 | 0 | 120.4 | ||||
| 1585 | T | 31.4 | Very low | 31.2 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | -153.7 | -124.6 | -66.6 | 34 | 0 | 0 | 0 | 0 | 114 | |||||
| 1586 | P | 44.6 | Very low | 31.5 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | trans | -132.7 | -173.5 | -144.8 | 38.4 | -14.4 | 0 | 0 | 0 | 118.1 | ||||
| 1587 | H | 36 | Very low | 31.7 | Very low | 171 Ų | 171 | 122.6 Ų | 122.6 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | trans | 171.5 | 126.4 | 131.6 | -97.7 | -71.1 | 0 | 0 | 0 | 118.9 | ||||
| 1588 | S | 32 | Very low | 32.5 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | 25.5 | 158 | 141.2 | 35 | 0 | 0 | 0 | 0 | 126 | ||||
| 1589 | S | 33.6 | Very low | 32.7 | Very low | 110 Ų | 110 | 124.1 Ų | 124.1 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | cis | 172.5 | 165.6 | -18.1 | 58.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1590 | A | 34.8 | Very low | 33.3 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | 86.4 | 160 | 150.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1591 | S | 30.7 | Very low | 33.4 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | cis | -177.8 | -174.9 | -30.9 | 63.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1592 | I | 35.2 | Very low | 33.5 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | 97.2 | 157.8 | 162.1 | -63.3 | 158.8 | 0 | 0 | 0 | 120.4 | ||||
| 1593 | T | 31.9 | Very low | 33.7 | Very low | 109 Ų | 109 | 131 Ų | 131 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | -166.8 | 172.7 | -95.5 | 38.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1594 | N | 35.2 | Very low | 34.2 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | 84.1 | 155.1 | 157.5 | -63.1 | -0.4 | 0 | 0 | 0 | 121.7 | ||||
| 1595 | D | 32.1 | Very low | 34 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | cis | -170.5 | 159 | -14.1 | -113.6 | -39.3 | 0 | 0 | 0 | 117.7 | ||||
| 1596 | M | 31.5 | Very low | 33.8 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | trans | 61.3 | 167.4 | 144.3 | -65.7 | -177.6 | -163 | 0 | 0 | 123.1 | ||||
| 1597 | K | 31.1 | Very low | 33 | Very low | 172 Ų | 172 | 133.2 Ų | 133.2 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | cis | -163.5 | 176.1 | -17.9 | -102.8 | 170.2 | -177.6 | 164 | 0 | 112.6 | ||||
| 1598 | P | 39.7 | Very low | 32.6 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 69% | 0.688 | 73% | 0.726 | S | S | * | * | trans | -134 | -157.7 | -159.3 | 34.4 | -10.8 | 0 | 0 | 0 | 118.9 | ||||
| 1599 | I | 31.1 | Very low | 32.3 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | 94.3 | 151 | 159.5 | -57.4 | 161.1 | 0 | 0 | 0 | 117 | ||||
| 1600 | P | 38.8 | Very low | 32 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | cis | -141.9 | -179.2 | -30.2 | 43.5 | -24.5 | 0 | 0 | 0 | 119.7 | ||||
| 1601 | Q | 33.3 | Very low | 31.8 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | trans | 67.6 | 131 | 137.1 | -82.4 | 171.2 | -0.1 | 0 | 0 | 128.7 | ||||
| 1602 | S | 31.4 | Very low | 31.6 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | 94.1 | 117.5 | 130.5 | 69.2 | 0 | 0 | 0 | 0 | 126 | ||||
| 1603 | Y | 32.9 | Very low | 31.3 | Very low | 225 Ų | 225 | 136.6 Ų | 136.6 | 88% | 0.882 | 71% | 0.708 | S | S | * | * | 42.8 | 167.7 | 129.4 | -63.3 | -59.8 | 0 | 0 | 0 | 124.3 | |||||
| 1604 | P | 39.6 | Very low | 31.1 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | cis | -146.1 | 173.3 | -48.7 | 44.2 | -27.1 | 0 | 0 | 0 | 117.8 | ||||
| 1605 | M | 26.8 | Very low | 30.7 | Very low | 163 Ų | 163 | 135 Ų | 135 | 80% | 0.803 | 70% | 0.698 | S | S | * | * | trans | 82.6 | 146.8 | 137.6 | -122.7 | -163.4 | -54.6 | 0 | 0 | 126.1 | ||||
| 1606 | I | 27.9 | Very low | 30.5 | Very low | 135 Ų | 135 | 136 Ų | 136 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | trans | 73.8 | 146.9 | 154.2 | 7.8 | 177.9 | 0 | 0 | 0 | 125.6 | ||||
| 1607 | I | 27.9 | Very low | 30.3 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | trans | 79.4 | 138.8 | 154.2 | -67.3 | 160.5 | 0 | 0 | 0 | 119.2 | ||||
| 1608 | T | 27.1 | Very low | 30 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | cis | -166.3 | 143.3 | -41.5 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1609 | S | 26.4 | Very low | 29.4 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | trans | 68 | 170.6 | 146.1 | 85.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1610 | K | 26.9 | Very low | 29.2 | Very low | 161 Ų | 161 | 128 Ų | 128 | 70% | 0.7 | 67% | 0.668 | S | S | * | * | cis | -167.6 | 151.7 | -5.9 | -133.8 | 172.1 | 175.2 | -171.1 | 0 | 111.2 | ||||
| 1611 | H | 29.7 | Very low | 28.6 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 66% | 0.657 | 67% | 0.669 | S | S | * | * | trans | 63.1 | 163.5 | 154.5 | -67.1 | -45.2 | 0 | 0 | 0 | 118.6 | ||||
| 1612 | K | 26.8 | Very low | 28.4 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 62% | 0.622 | 66% | 0.661 | S | S | * | * | cis | -154.2 | 179.3 | -4.7 | -128.5 | 173.7 | -176 | -88.2 | 0 | 113.2 | ||||
| 1613 | E | 29.3 | Very low | 28.3 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | trans | -36.4 | 168.7 | 163.7 | -55.5 | 127.2 | -146.5 | 0 | 0 | 116.2 | ||||
| 1614 | T | 28.2 | Very low | 28.2 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 80% | 0.798 | 64% | 0.642 | S | S | * | * | cis | -143.5 | -120 | 41.2 | 59.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1615 | E | 26.5 | Very low | 27.8 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 39% | 0.388 | 64% | 0.639 | S | S | . | * | trans | -169.3 | 174.6 | -132 | -173.9 | 169 | -144.5 | 0 | 0 | 115.2 | K1510 | K1510-E1615 WeakPolarHBondContact CD-OE1 3.41Å; K1510-E1615 WeakPolarHBondContact CE-OE1 3.26Å; K1510-E1615 IonicContact NZ-OE1 2.65Å; K1510-E1615 PolarHBondContact NZ-OE1 2.62Å | ||
| 1616 | Y | 27.1 | Very low | 27.9 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 53% | 0.525 | 63% | 0.628 | S | S | . | * | trans | 123.5 | 155.7 | 152.3 | -78.3 | -82.5 | 0 | 0 | 0 | 120.7 | T1508 S1509 | T1508-Y1616 CarbonylContact C-O 3.57Å; S1509-Y1616 WeakPolarHBondContact CA-O 3.39Å; S1509-Y1616 WeakPolarHBondContact CB-O 3.5Å; S1509-Y1616 PolarHBondContact N-O 3.31Å; S1509-Y1616 PolarHBondContact OG-N 3.44Å; S1509-Y1616 PolarHBondContact OG-O 2.88Å | ||
| 1617 | L | 28.3 | Very low | 28.2 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 34% | 0.34 | 62% | 0.624 | S | S | . | * | trans | -69.6 | 177 | -163.1 | -80.9 | 154.1 | 0 | 0 | 0 | 117.1 | K1510 S1511 | K1510-L1617 VanDerWaalsContact C-CD2 3.43Å; K1510-L1617 VanDerWaalsContact O-CG 3.23Å; K1510-L1617 WeakPolarHBondContact O-CG 2.96Å; S1511-L1617 VanDerWaalsContact O-CD2 3.27Å; S1511-L1617 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1618 | L | 24.3 | Very low | 28.2 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 68% | 0.681 | 62% | 0.619 | S | S | * | * | cis | -147.1 | -165 | 14 | -148 | 125.6 | 0 | 0 | 0 | 112 | ||||
| 1619 | S | 27.6 | Very low | 28.3 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 62% | 0.622 | 62% | 0.616 | S | S | * | * | trans | -100.9 | -159.4 | 179.7 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1620 | T | 26.8 | Very low | 28.4 | Very low | 110 Ų | 110 | 123.9 Ų | 123.9 | 68% | 0.675 | 61% | 0.611 | S | S | * | * | trans | 78.1 | 156.4 | 175.6 | 80.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1621 | N | 26.6 | Very low | 28.4 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 70% | 0.695 | 61% | 0.605 | S | S | * | * | cis | -167.5 | 160.6 | -26 | -105.1 | -16.2 | 0 | 0 | 0 | 108.2 | ||||
| 1622 | N | 27.6 | Very low | 28.4 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 66% | 0.658 | 61% | 0.61 | S | S | * | * | trans | 66.2 | 163 | 148.7 | -74.4 | -15.7 | 0 | 0 | 0 | 116.9 | ||||
| 1623 | H | 30.1 | Very low | 28.7 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | cis | -154.8 | 168.9 | -3.4 | -126.5 | 0.2 | 0 | 0 | 0 | 111.8 | ||||
| 1624 | H | 30.5 | Very low | 29 | Very low | 131 Ų | 131 | 119 Ų | 119 | 61% | 0.606 | 62% | 0.618 | S | S | * | * | trans | 72.2 | 154.9 | 144.9 | -71.9 | -7.9 | 0 | 0 | 0 | 119.1 | ||||
| 1625 | H | 30.8 | Very low | 29 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 57% | 0.565 | 61% | 0.614 | S | S | * | * | cis | -151.4 | 150.9 | 2.9 | -119.6 | -36.3 | 0 | 0 | 0 | 112.4 | ||||
| 1626 | H | 30.5 | Very low | 28.9 | Very low | 127 Ų | 127 | 122.3 Ų | 122.3 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | trans | 62.7 | 154.9 | 144.1 | -70.8 | -44.5 | 0 | 0 | 0 | 120.6 | ||||
| 1627 | H | 33.4 | Very low | 28.9 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 61% | 0.606 | 64% | 0.643 | S | S | * | * | cis | -132.4 | 150.5 | -16.1 | -97.4 | -69.6 | 0 | 0 | 0 | 106 | ||||
| 1628 | Q | 27.5 | Very low | 28.8 | Very low | 134 Ų | 134 | 128 Ų | 128 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | 50.1 | 131.4 | 78.7 | -104.6 | 171.8 | -16.7 | 0 | 0 | 112.5 | |||||
| 1629 | H | 30.3 | Very low | 28.9 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 62% | 0.616 | 66% | 0.663 | S | S | * | * | cis | -159.8 | 156.1 | 33.7 | -111.3 | -72.3 | 0 | 0 | 0 | 111.8 | ||||
| 1630 | N | 27.7 | Very low | 28.8 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 65% | 0.647 | 67% | 0.67 | S | S | * | * | trans | 64.8 | 153.2 | 142.5 | -65.7 | 5.2 | 0 | 0 | 0 | 119.2 | ||||
| 1631 | N | 27.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 135 Ų | 135 | 57% | 0.572 | 67% | 0.672 | S | S | * | * | cis | -153.8 | 155.7 | -5.6 | -120.6 | -3.1 | 0 | 0 | 0 | 112.7 | ||||
| 1632 | Q | 29 | Very low | 28.6 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | trans | 53.8 | 101.2 | 140.1 | -68.3 | 163.6 | -36 | 0 | 0 | 119.9 | ||||
| 1633 | S | 34 | Very low | 28.5 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | -52.3 | 167.5 | 128.5 | 61 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1634 | P | 35 | Very low | 28.2 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 68% | 0.677 | S | S | * | * | cis | -154.4 | -139.7 | 45.7 | 36.4 | -8.5 | 0 | 0 | 0 | 114.3 | ||||
| 1635 | I | 27.5 | Very low | 27.9 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | trans | 83.4 | 95.6 | 166.1 | -62.4 | 158.9 | 0 | 0 | 0 | 113.5 | ||||
| 1636 | N | 25.9 | Very low | 27.7 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | 59.2 | 112.6 | 79.6 | -75.2 | -25.9 | 0 | 0 | 0 | 114.1 | |||||
| 1637 | K | 27.1 | Very low | 27.5 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 77% | 0.765 | 70% | 0.701 | S | S | * | * | -176.5 | 129.4 | 110.4 | -98 | 178.8 | 176.1 | -176.6 | 0 | 110.8 | |||||
| 1638 | Q | 26.5 | Very low | 27.2 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | 63.3 | 106.5 | 106.3 | -66.7 | 178.6 | -43.6 | 0 | 0 | 112.8 | |||||
| 1639 | N | 24.6 | Very low | 27.3 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | 86.5 | 166 | 76.9 | -73.9 | 3.3 | 0 | 0 | 0 | 111.7 | |||||
| 1640 | I | 26.8 | Very low | 27.2 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | trans | 81.8 | 99.7 | 174.4 | -50.5 | 168.8 | 0 | 0 | 0 | 110.7 | ||||
| 1641 | Y | 24.3 | Very low | 27.3 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | 72.8 | 137.2 | 66.5 | -92.4 | -90 | 0 | 0 | 0 | 114.5 | |||||
| 1642 | Y | 25.1 | Very low | 27.4 | Very low | 200 Ų | 200 | 137 Ų | 137 | 78% | 0.784 | 70% | 0.701 | S | S | * | * | trans | 64.9 | 154.4 | 166.3 | -61.5 | -61.6 | 0 | 0 | 0 | 116.2 | ||||
| 1643 | S | 24.3 | Very low | 27.4 | Very low | 73 Ų | 73 | 136 Ų | 136 | 51% | 0.51 | 70% | 0.696 | S | S | . | * | cis | 172.1 | 162 | -38.6 | 51 | 0 | 0 | 0 | 0 | 107 | ||||
| 1644 | N | 25.4 | Very low | 27.1 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | trans | 76.8 | 130.6 | 168.8 | -46.8 | -28 | 0 | 0 | 0 | 113.5 | ||||
| 1645 | F | 24.1 | Very low | 26.7 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 84% | 0.842 | 69% | 0.691 | S | S | * | * | 85.5 | 134.9 | 51.2 | -99 | -83.3 | 0 | 0 | 0 | 113.6 | |||||
| 1646 | C | 25.7 | Very low | 26.6 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | 68.3 | 152.2 | 173.1 | -60.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1647 | S | 26.3 | Very low | 26.7 | Very low | 86 Ų | 86 | 137 Ų | 137 | 60% | 0.601 | 68% | 0.679 | S | S | * | * | cis | -175 | 167.2 | -16.8 | 176.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1648 | S | 27.8 | Very low | 26.9 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | trans | 64.2 | 156.4 | 152 | 37.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1649 | D | 28.2 | Very low | 27 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | cis | -162.2 | 162 | -16.1 | -94.6 | -19.7 | 0 | 0 | 0 | 105.7 | ||||
| 1650 | D | 29.3 | Very low | 27.3 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | trans | 60 | 162.1 | 143.7 | -69.2 | -8.6 | 0 | 0 | 0 | 119.8 | ||||
| 1651 | E | 29.9 | Very low | 27.5 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 55% | 0.547 | 66% | 0.657 | S | S | . | * | cis | -157.5 | 152.6 | -12.8 | -121.8 | -172.7 | 151.9 | 0 | 0 | 108.8 | ||||
| 1652 | R | 28.2 | Very low | 27.9 | Very low | 182 Ų | 182 | 128.4 Ų | 128.4 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | trans | 61 | 177.3 | 147.9 | -67 | -174.5 | -146.9 | 164.5 | 15.1 | 116.5 | ||||
| 1653 | E | 29.9 | Very low | 28.4 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | cis | -138.6 | 160.1 | -6.6 | -132.2 | 150.9 | -137.2 | 0 | 0 | 108.4 | ||||
| 1654 | N | 26.4 | Very low | 28.7 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 66% | 0.663 | 66% | 0.657 | S | S | * | * | 12.9 | 146 | 126.2 | -63.5 | -10 | 0 | 0 | 0 | 118.5 | |||||
| 1655 | E | 27.2 | Very low | 29 | Very low | 141 Ų | 141 | 123.7 Ų | 123.7 | 66% | 0.659 | 65% | 0.653 | S | S | * | * | cis | -171.3 | 164.5 | 16.4 | -126.2 | 176.5 | 156.3 | 0 | 0 | 113.4 | ||||
| 1656 | Q | 26.4 | Very low | 29.4 | Very low | 136 Ų | 136 | 118 Ų | 118 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | trans | 52.1 | 145.5 | 139.8 | -79.8 | 178.2 | 47.9 | 0 | 0 | 123.9 | ||||
| 1657 | I | 28.4 | Very low | 29.8 | Very low | 115 Ų | 115 | 115.8 Ų | 115.8 | 59% | 0.59 | 62% | 0.617 | S | S | * | * | trans | 85.3 | 103.7 | 135.2 | -80.1 | 173.7 | 0 | 0 | 0 | 120.3 | ||||
| 1658 | Q | 29.7 | Very low | 29.9 | Very low | 168 Ų | 168 | 117 Ų | 117 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | trans | 68.3 | 165.3 | 134.6 | -62.4 | 178.1 | 40.4 | 0 | 0 | 120.3 | ||||
| 1659 | N | 30.2 | Very low | 30 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 71% | 0.706 | 60% | 0.603 | S | S | * | * | cis | -172.7 | 164.8 | -46.6 | -152.4 | -22.6 | 0 | 0 | 0 | 107.5 | ||||
| 1660 | K | 30.2 | Very low | 30.1 | Very low | 128 Ų | 128 | 114.5 Ų | 114.5 | 56% | 0.557 | 61% | 0.61 | S | S | * | * | trans | 69.7 | 110.8 | 155.1 | -69.2 | -172.6 | 175.7 | -175.8 | 0 | 122.2 | ||||
| 1661 | N | 31.8 | Very low | 30.1 | Very low | 88 Ų | 88 | 113.3 Ų | 113.3 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | 89.5 | 117.6 | 112.3 | -63 | -11.1 | 0 | 0 | 0 | 122.8 | G1427 H1429 | G1427-N1661 VanDerWaalsContact O-CB 3.22Å; G1427-N1661 WeakPolarHBondContact O-CB 3.48Å; G1427-N1661 PolarHBondContact O-ND2 2.66Å; H1429-N1661 PolarHBondContact N-O 2.89Å | |||
| 1662 | S | 32.6 | Very low | 30.1 | Very low | 100 Ų | 100 | 116.7 Ų | 116.7 | 70% | 0.699 | 62% | 0.62 | S | S | * | * | trans | -62.4 | 167.9 | 167.4 | 54.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1663 | I | 34.5 | Very low | 30.1 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 51% | 0.508 | 63% | 0.626 | S | S | . | * | trans | -168.9 | 148.7 | 135.4 | -109.5 | 160.5 | 0 | 0 | 0 | 115.7 | Q1428 | Q1428-I1663 HydrophobicContact CB-CD1 4.27Å; Q1428-I1663 VanDerWaalsContact CD-CB 3.46Å; Q1428-I1663 HydrophobicContact CG-CB 3.92Å; Q1428-I1663 HydrophobicContact CG-CD1 4.36Å; Q1428-I1663 HydrophobicContact CG-CG2 4.38Å; Q1428-I1663 VanDerWaalsContact NE2-CG2 3.25Å; Q1428-I1663 VanDerWaalsContact OE1-CG2 3.3Å | ||
| 1664 | N | 30.2 | Very low | 30.2 | Very low | 148 Ų | 148 | 115.7 Ų | 115.7 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | trans | 36.9 | 152.4 | 155.4 | -58.9 | -20.2 | 0 | 0 | 0 | 125.5 | ||||
| 1665 | G | 32.9 | Very low | 30.4 | Very low | 66 Ų | 66 | 116.4 Ų | 116.4 | 68% | 0.68 | 63% | 0.63 | S | S | * | * | 102.7 | 61.9 | 121.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1666 | S | 32.3 | Very low | 30.6 | Very low | 74 Ų | 74 | 118.3 Ų | 118.3 | 52% | 0.517 | 64% | 0.639 | S | S | . | * | 74.1 | 96.4 | 66.9 | 102.4 | 0 | 0 | 0 | 0 | 116.2 | R1441 | R1441-S1666 PolarHBondContact NH1-O 2.99Å; R1441-S1666 PolarHBondContact NH2-O 2.95Å; R1441-S1666 PolarHBondContact NH2-OG 3.02Å | |||
| 1667 | I | 32.8 | Very low | 31.1 | Very low | 74 Ų | 74 | 115.5 Ų | 115.5 | 38% | 0.379 | 63% | 0.632 | S | S | . | * | trans | 69.2 | 128.3 | 133 | 51.7 | 166.8 | 0 | 0 | 0 | 122.3 | I1440 R1441 | I1440-I1667 VanDerWaalsContact C-CB 3.44Å; I1440-I1667 VanDerWaalsContact C-CG2 3.46Å; I1440-I1667 WeakPolarHBondContact O-CG2 3.07Å; R1441-I1667 HydrophobicContact CB-CB 4.02Å; R1441-I1667 HydrophobicContact CB-CD1 4.42Å; R1441-I1667 HydrophobicContact CB-CG1 4.36Å; R1441-I1667 WeakPolarHBondContact CD-O 3.35Å; R1441-I1667 VanDerWaalsContact CG-C 3.5Å; R1441-I1667 HydrophobicContact CG-CB 3.45Å; R1441-I1667 VanDerWaalsContact CG-CB 3.45Å; R1441-I1667 HydrophobicContact CG-CD1 3.46Å; R1441-I1667 VanDerWaalsContact CG-CD1 3.46Å; R1441-I1667 HydrophobicContact CG-CG1 3.32Å; R1441-I1667 WeakPolarHBondContact CG-O 3.45Å; R1441-I1667 VanDerWaalsContact N-CB 3.32Å; R1441-I1667 PolarHBondContact NE-O 2.82Å; R1441-I1667 PolarHBondContact NH1-O 2.79Å | ||
| 1668 | M | 29.2 | Very low | 31.1 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | trans | -153.2 | 81.2 | 147.6 | -131.6 | -84.7 | -80 | 0 | 0 | 125.1 | E1439 I1440 R1441 N1442 | E1439-M1668 PolarHBondContact OE2-N 3.28Å; I1440-M1668 VanDerWaalsContact CG2-C 3.42Å; R1441-M1668 HydrophobicContact CB-CB 4.4Å; R1441-M1668 HydrophobicContact CB-CG 4.15Å; R1441-M1668 HydrophobicContact CG-CG 4.39Å; N1442-M1668 PolarHBondContact ND2-SD 3.37Å; N1442-M1668 VanDerWaalsContact ND2-SD 3.4Å | ||
| 1669 | N | 29.4 | Very low | 31.1 | Very low | 71 Ų | 71 | 116.9 Ų | 116.9 | 38% | 0.38 | 64% | 0.636 | S | S | . | * | trans | 68.7 | 153.8 | 157.2 | -141.4 | 11.3 | 0 | 0 | 0 | 124.3 | R1441 N1442 | R1441-N1669 VanDerWaalsContact O-CA 3.31Å; R1441-N1669 WeakPolarHBondContact O-CA 3.46Å; R1441-N1669 PolarHBondContact O-N 3.28Å; N1442-N1669 HydrophobicContact CB-CB 3.87Å; N1442-N1669 PolarHBondContact ND2-ND2 2.93Å | ||
| 1670 | G | 31.2 | Very low | 31 | Very low | 67 Ų | 67 | 119.1 Ų | 119.1 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | trans | 175.5 | 65.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1671 | T | 28.9 | Very low | 31.2 | Very low | 99 Ų | 99 | 118 Ų | 118 | 61% | 0.607 | 65% | 0.648 | S | S | * | * | trans | -74.9 | 149.5 | -176 | 55.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1672 | K | 29.4 | Very low | 30.8 | Very low | 188 Ų | 188 | 123.9 Ų | 123.9 | 82% | 0.817 | 67% | 0.665 | S | S | * | * | -176.3 | 132.9 | 113.6 | -103.7 | 161.9 | 178.6 | -177.9 | 0 | 117 | |||||
| 1673 | Y | 29.3 | Very low | 30.6 | Very low | 205 Ų | 205 | 127.1 Ų | 127.1 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | trans | 20.6 | 145.4 | 130.4 | -63.9 | -99.6 | 0 | 0 | 0 | 119.8 | ||||
| 1674 | S | 32 | Very low | 30.1 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | cis | -160.2 | 154.7 | 43.4 | 59.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1675 | N | 30.4 | Very low | 29.9 | Very low | 139 Ų | 139 | 126.3 Ų | 126.3 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | 54.1 | 122 | 140.9 | -55.9 | 3.3 | 0 | 0 | 0 | 119.3 | ||||
| 1676 | H | 31.1 | Very low | 29.4 | Very low | 181 Ų | 181 | 127 Ų | 127 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | cis | 67.8 | 150.4 | 25.5 | -136.7 | 37.7 | 0 | 0 | 0 | 112.9 | ||||
| 1677 | P | 37 | Very low | 29.1 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 50% | 0.5 | 65% | 0.65 | S | S | . | * | cis | -136.4 | -158.3 | -5.6 | 21.9 | 6.8 | 0 | 0 | 0 | 113.6 | ||||
| 1678 | H | 28.1 | Very low | 29 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 69% | 0.69 | 67% | 0.671 | S | S | * | * | trans | 76.5 | 154.1 | 155.5 | -59.6 | -36.9 | 0 | 0 | 0 | 119.1 | ||||
| 1679 | Q | 29.5 | Very low | 29.1 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | cis | -157.3 | 175.1 | -9.2 | -119.5 | 159.3 | -13.9 | 0 | 0 | 112.9 | ||||
| 1680 | H | 28.5 | Very low | 29.1 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 83% | 0.833 | 69% | 0.693 | S | S | * | * | trans | -62.9 | -179.6 | 163.6 | -71.4 | -89.2 | 0 | 0 | 0 | 112.8 | ||||
| 1681 | P | 34.3 | Very low | 28.9 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | cis | -140.3 | -174.7 | 7 | 38.1 | -15.6 | 0 | 0 | 0 | 116.9 | ||||
| 1682 | Y | 23.7 | Very low | 29.1 | Very low | 211 Ų | 211 | 146.7 Ų | 146.7 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | trans | 38.9 | 152.4 | 140.3 | -86.9 | -114 | 0 | 0 | 0 | 124.7 | ||||
| 1683 | Q | 27.5 | Very low | 29.1 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | 68.6 | 171.7 | 156.9 | -73.2 | 169.3 | -32.5 | 0 | 0 | 118.5 | ||||
| 1684 | Q | 24.2 | Very low | 29.1 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 52% | 0.523 | 70% | 0.697 | S | S | . | * | cis | 179.7 | 144.3 | -47.2 | -159.4 | 177.6 | -31.3 | 0 | 0 | 106.7 | ||||
| 1685 | H | 26.1 | Very low | 29.3 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 54% | 0.542 | 70% | 0.698 | S | S | . | * | trans | 61.5 | 174.5 | 177.3 | -60 | -73.4 | 0 | 0 | 0 | 116.5 | E1568 | E1568-H1685 IonicContact OE1-CE1 2.65Š| ||
| 1686 | Q | 23.4 | Very low | 29.2 | Very low | 82 Ų | 82 | 143.7 Ų | 143.7 | 38% | 0.383 | 69% | 0.694 | S | S | . | * | cis | -170.3 | 164.4 | -48.7 | -163 | 167.7 | -19 | 0 | 0 | 108.1 | ||||
| 1687 | H | 26.4 | Very low | 29.1 | Very low | 141 Ų | 141 | 142 Ų | 142 | 65% | 0.653 | 69% | 0.691 | S | S | * | * | trans | 70.1 | 114 | 168.5 | -59.5 | -69.3 | 0 | 0 | 0 | 122 | ||||
| 1688 | Q | 29.8 | Very low | 28.5 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | 22.5 | 148.5 | 107.5 | -80.9 | -172.2 | 19.8 | 0 | 0 | 120 | |||||
| 1689 | P | 32 | Very low | 28.4 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | -156.9 | -178.8 | 74 | 36.5 | -12.2 | 0 | 0 | 0 | 120 | |||||
| 1690 | Y | 29.5 | Very low | 28.2 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | trans | 68.5 | 114.5 | 170.3 | -58.1 | -72.9 | 0 | 0 | 0 | 118 | ||||
| 1691 | Q | 26.7 | Very low | 28.2 | Very low | 149 Ų | 149 | 142.8 Ų | 142.8 | 70% | 0.696 | 71% | 0.708 | S | S | * | * | 91.8 | 106.2 | 51.8 | -80 | -171.6 | 1.6 | 0 | 0 | 114.6 | |||||
| 1692 | H | 31.4 | Very low | 27.8 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | -177.1 | 124.7 | 110.2 | -105.6 | -71.6 | 0 | 0 | 0 | 115.1 | |||||
| 1693 | R | 29.7 | Very low | 28.2 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | trans | 50.3 | 92.4 | 145.7 | -73.9 | -178.4 | -177.7 | 173 | 0.3 | 121.1 | ||||
| 1694 | D | 29.6 | Very low | 28.2 | Very low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | 12.2 | 156 | 89.2 | -112.1 | -8.8 | 0 | 0 | 0 | 119 | |||||
| 1695 | P | 36.9 | Very low | 28.5 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | cis | -146.4 | 155.3 | 15.5 | 43.6 | -23.6 | 0 | 0 | 0 | 120.2 | ||||
| 1696 | S | 28.6 | Very low | 28.6 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | 57.2 | 143.8 | 128.8 | 80.5 | 0 | 0 | 0 | 0 | 126.6 | |||||
| 1697 | L | 28.1 | Very low | 28.8 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | 91.5 | 123.2 | 130.9 | -116.1 | 76.8 | 0 | 0 | 0 | 122.7 | ||||
| 1698 | N | 25.1 | Very low | 28.9 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 15.1 | 132.7 | 136.5 | -51.1 | -10 | 0 | 0 | 0 | 117.7 | ||||
| 1699 | S | 26.6 | Very low | 28.8 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | -172.1 | 170.8 | 59.9 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1700 | S | 24.9 | Very low | 28.6 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | trans | -73.6 | 141.7 | 177.4 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1701 | Y | 27.7 | Very low | 28.5 | Very low | 227 Ų | 227 | 148.9 Ų | 148.9 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | -169.2 | 152.9 | 120.9 | -112.3 | -77.5 | 0 | 0 | 0 | 110.8 | |||||
| 1702 | S | 25.8 | Very low | 28.6 | Very low | 98 Ų | 98 | 147.4 Ų | 147.4 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | -93.5 | 151.7 | -178.8 | 58 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1703 | I | 31.5 | Very low | 28.5 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -167.6 | 147.3 | 141 | -101.7 | 150.4 | 0 | 0 | 0 | 110.1 | ||||
| 1704 | D | 27.7 | Very low | 28.3 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | -70 | 144.7 | -176.4 | -54 | -81.6 | 0 | 0 | 0 | 114.7 | ||||
| 1705 | K | 30.1 | Very low | 28.1 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | 176 | 128.1 | 103.8 | -94.6 | 172.8 | -176.4 | 178.2 | 0 | 116.5 | |||||
| 1706 | Q | 28.6 | Very low | 27.6 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 58.6 | 108.4 | 135.6 | -62.8 | 178.8 | -78.9 | 0 | 0 | 121.9 | ||||
| 1707 | S | 27.9 | Very low | 27.5 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | 90.6 | 117.2 | 119.4 | 66 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1708 | F | 27.7 | Very low | 27.4 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | 97.2 | 115.7 | 126.5 | -90.9 | -130.7 | 0 | 0 | 0 | 122.3 | |||||
| 1709 | I | 27.7 | Very low | 27.5 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 66% | 0.662 | 77% | 0.772 | S | S | * | * | trans | 92.2 | 116.1 | 136.7 | -73.3 | -179 | 0 | 0 | 0 | 121.2 | ||||
| 1710 | Q | 28.1 | Very low | 27.9 | Very low | 170 Ų | 170 | 151.6 Ų | 151.6 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 50.7 | 121 | 146.8 | -67.7 | 174.1 | -21.2 | 0 | 0 | 121.8 | ||||
| 1711 | K | 27.8 | Very low | 28 | Very low | 202 Ų | 202 | 154.7 Ų | 154.7 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | -155.3 | 135.5 | 98.6 | -106.8 | 177.7 | -177.4 | 179.9 | 0 | 111.9 | |||||
| 1712 | P | 28.8 | Very low | 28.4 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -85.3 | 152.1 | 167.1 | 35.2 | -32.8 | 0 | 0 | 0 | 111 | ||||
| 1713 | I | 29.5 | Very low | 28.7 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -134.5 | 131.8 | 167.1 | -62.8 | -178.2 | 0 | 0 | 0 | 108.3 | ||||
| 1714 | M | 25.4 | Very low | 28.6 | Very low | 184 Ų | 184 | 148 Ų | 148 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -143.3 | 106.6 | -178 | -176.4 | -176.7 | -164.9 | 0 | 0 | 109.3 | ||||
| 1715 | S | 26.1 | Very low | 28.7 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | -164.1 | 117.9 | 169 | 52.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1716 | L | 26 | Very low | 28.6 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | 63.1 | 97.3 | 67.6 | -76 | 158.9 | 0 | 0 | 0 | 113.4 | |||||
| 1717 | N | 25.7 | Very low | 28.4 | Very low | 138 Ų | 138 | 140.1 Ų | 140.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | -160.9 | 131.3 | 107.5 | -89.7 | 5.3 | 0 | 0 | 0 | 106.8 | |||||
| 1718 | E | 27.4 | Very low | 28.4 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | 88.8 | 145 | 54.8 | -76.9 | -163.6 | 162.4 | 0 | 0 | 113.8 | |||||
| 1719 | N | 26.7 | Very low | 28.3 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | 75.7 | 137.6 | -166.3 | -45.6 | -64 | 0 | 0 | 0 | 113.8 | ||||
| 1720 | E | 34.1 | Very low | 28.2 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | cis | -122 | 144.2 | 7 | -69.6 | -178.1 | 131 | 0 | 0 | 113.8 | ||||
| 1721 | L | 28.3 | Very low | 28 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -99.3 | 179.1 | 166.6 | -119.4 | 71.1 | 0 | 0 | 0 | 108.5 | ||||
| 1722 | P | 36.1 | Very low | 27.9 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 61% | 0.61 | 77% | 0.766 | S | S | * | * | cis | -131.6 | -157.3 | -18.1 | 36.1 | -15.9 | 0 | 0 | 0 | 111.8 | ||||
| 1723 | N | 31.2 | Very low | 27.6 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 112 | 140.5 | 161.7 | -59.3 | -30 | 0 | 0 | 0 | 114.9 | ||||
| 1724 | T | 30.5 | Very low | 27.4 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | cis | -164.3 | 140.9 | -17.1 | 21.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1725 | A | 28.6 | Very low | 27.4 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | trans | 62.6 | 162.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1726 | S | 28.9 | Very low | 27.3 | Very low | 102 Ų | 102 | 133 Ų | 133 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | cis | -136.1 | 151.7 | -0.9 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1727 | S | 24.2 | Very low | 27.3 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -79.5 | 131.5 | 171.4 | 44.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1728 | T | 27.9 | Very low | 27.3 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | -132.6 | 72.5 | 163 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | F1730 | T1728-F1730 HydrophobicContact CG2-CD2 3.93Å; T1728-F1730 HydrophobicContact CG2-CE2 4.31Å; T1728-F1730 PolarHBondContact O-N 2.61Å | ||
| 1729 | T | 25.8 | Very low | 27.3 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -69.9 | 75.2 | 150.8 | -52.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1730 | F | 24.6 | Very low | 27.4 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | trans | -103 | 104.5 | -179.9 | -101.1 | -103.9 | 0 | 0 | 0 | 110.1 | T1728 I1732 | T1728-F1730 HydrophobicContact CG2-CD2 3.93Å; T1728-F1730 HydrophobicContact CG2-CE2 4.31Å; T1728-F1730 PolarHBondContact O-N 2.61Å; F1730-I1732 HydrophobicContact CD1-CG1 4.48Å; F1730-I1732 PolarHBondContact O-N 2.83Å | ||
| 1731 | C | 24.2 | Very low | 27.2 | Very low | 128 Ų | 128 | 128 Ų | 128 | 87% | 0.865 | 73% | 0.732 | S | S | * | * | trans | -67.5 | 84.8 | 157.8 | -60.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1732 | I | 25 | Very low | 27.2 | Very low | 144 Ų | 144 | 124.3 Ų | 124.3 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | -82.7 | 124.8 | 153.8 | -61.9 | -179.2 | 0 | 0 | 0 | 106 | F1730 L1734 | F1730-I1732 HydrophobicContact CD1-CG1 4.48Å; F1730-I1732 PolarHBondContact O-N 2.83Å; I1732-L1734 PolarHBondContact O-N 3.28Å; I1732-L1734 VanDerWaalsContact O-N 3.13Å | ||
| 1733 | K | 23.7 | Very low | 26.8 | Very low | 159 Ų | 159 | 122.5 Ų | 122.5 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | trans | -53.8 | 115.6 | -178.4 | -72.7 | 173.5 | 151 | -150.2 | 0 | 110.9 | N1735 | K1733-N1735 WeakPolarHBondContact CD-OD1 2.98Å; K1733-N1735 WeakPolarHBondContact CE-OD1 3.35Å; K1733-N1735 PolarHBondContact NZ-OD1 3.25Å | ||
| 1734 | L | 24.8 | Very low | 26.7 | Very low | 170 Ų | 170 | 120.3 Ų | 120.3 | 89% | 0.89 | 69% | 0.689 | S | S | * | * | -71.1 | 115.1 | 124.3 | -76.5 | 174.4 | 0 | 0 | 0 | 105 | I1732 P1736 | I1732-L1734 PolarHBondContact O-N 3.28Å; I1732-L1734 VanDerWaalsContact O-N 3.13Å; L1734-P1736 WeakPolarHBondContact O-CD 3.27Å | |||
| 1735 | N | 25.8 | Very low | 26.6 | Very low | 74 Ų | 74 | 118.7 Ų | 118.7 | 40% | 0.396 | 69% | 0.688 | S | S | . | * | trans | -67.7 | 124.5 | -178.3 | -150.7 | 59 | 0 | 0 | 0 | 107.5 | K1733 E1737 | K1733-N1735 WeakPolarHBondContact CD-OD1 2.98Å; K1733-N1735 WeakPolarHBondContact CE-OD1 3.35Å; K1733-N1735 PolarHBondContact NZ-OD1 3.25Å; N1735-E1737 PolarHBondContact ND2-OE2 2.65Å; N1735-E1737 PolarHBondContact O-N 2.81Å | ||
| 1736 | P | 24.9 | Very low | 26.4 | Very low | 118 Ų | 118 | 121.6 Ų | 121.6 | 77% | 0.766 | 68% | 0.684 | S | S | * | * | trans | -81.7 | 44.4 | -175.6 | 35.3 | -36.4 | 0 | 0 | 0 | 111.8 | L1734 | L1734-P1736 WeakPolarHBondContact O-CD 3.27Š| ||
| 1737 | E | 25.4 | Very low | 26.3 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | trans | -150.8 | 133.5 | -173.5 | -83.1 | 148.7 | -163.1 | 0 | 0 | 107.4 | N1735 | N1735-E1737 PolarHBondContact ND2-OE2 2.65Å; N1735-E1737 PolarHBondContact O-N 2.81Å | ||
| 1738 | E | 26.2 | Very low | 26.6 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 77% | 0.771 | 70% | 0.704 | S | S | * | * | cis | -153.7 | 145 | -6.8 | -137.2 | 177.3 | -173.9 | 0 | 0 | 112.5 | ||||
| 1739 | H | 27.3 | Very low | 26.5 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | 19 | 108.3 | 144.8 | -72.1 | -118.2 | 0 | 0 | 0 | 117.7 | ||||
| 1740 | S | 28.2 | Very low | 26.5 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | 123.5 | 166.8 | 88 | 68 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1741 | S | 29 | Very low | 26.6 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | cis | -143.1 | 152.1 | 3.6 | 92.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1742 | S | 28.4 | Very low | 26.8 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | 62.2 | 136 | 92.4 | 107.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1743 | T | 29.2 | Very low | 26.9 | Very low | 56 Ų | 56 | 130.4 Ų | 130.4 | 34% | 0.344 | 69% | 0.687 | S | S | . | * | cis | -146.2 | -137.9 | 17.9 | 36.7 | 0 | 0 | 0 | 0 | 116.8 | S1177 F1178 | S1177-T1743 WeakPolarHBondContact CA-OG1 3.23Å; F1178-T1743 HydrophobicContact CB-CG2 3.89Å; F1178-T1743 VanDerWaalsContact CD2-CA 3.44Å; F1178-T1743 VanDerWaalsContact CD2-CB 3.49Å; F1178-T1743 HydrophobicContact CD2-CG2 3.42Å; F1178-T1743 VanDerWaalsContact CD2-CG2 3.42Å; F1178-T1743 VanDerWaalsContact CE2-CA 3.48Å; F1178-T1743 HydrophobicContact CE2-CG2 4.23Å; F1178-T1743 HydrophobicContact CG-CG2 3.98Å | ||
| 1744 | Y | 27.6 | Very low | 27.1 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 37% | 0.369 | 69% | 0.687 | S | S | . | * | -104.8 | -175.5 | -125 | -140.9 | -166.6 | 0 | 0 | 0 | 119.9 | F1178 P1180 | F1178-Y1744 HydrophobicContact CB-CD1 4.37Å; F1178-Y1744 HydrophobicContact CB-CD2 4.33Å; F1178-Y1744 HydrophobicContact CB-CE1 4.44Å; F1178-Y1744 HydrophobicContact CB-CE2 4.37Å; F1178-Y1744 HydrophobicContact CB-CG 4.26Å; F1178-Y1744 AromaticContact CD1-CD2 3.8Å; F1178-Y1744 HydrophobicContact CD1-CD2 3.8Å; F1178-Y1744 AromaticContact CD1-CE2 3.51Å; F1178-Y1744 HydrophobicContact CD1-CE2 3.51Å; F1178-Y1744 VanDerWaalsContact CD2-CB 3.41Å; F1178-Y1744 HydrophobicContact CD2-CD1 4.29Å; F1178-Y1744 AromaticContact CD2-CD2 3.09Å; F1178-Y1744 HydrophobicContact CD2-CD2 3.09Å; F1178-Y1744 AromaticContact CD2-CE2 3.73Å; F1178-Y1744 HydrophobicContact CD2-CE2 3.73Å; F1178-Y1744 AromaticContact CD2-CG 3.36Å; F1178-Y1744 HydrophobicContact CD2-CG 3.36Å; F1178-Y1744 AromaticContact CE1-CD2 3.91Å; F1178-Y1744 HydrophobicContact CE1-CD2 3.91Å; F1178-Y1744 AromaticContact CE1-CE2 3.69Å; F1178-Y1744 HydrophobicContact CE1-CE2 3.69Å; F1178-Y1744 AromaticContact CE2-CD2 3.22Å; F1178-Y1744 HydrophobicContact CE2-CD2 3.22Å; F1178-Y1744 AromaticContact CE2-CE2 3.91Å; F1178-Y1744 HydrophobicContact CE2-CE2 3.91Å; F1178-Y1744 AromaticContact CE2-CG 3.89Å; F1178-Y1744 HydrophobicContact CE2-CG 3.89Å; F1178-Y1744 HydrophobicContact CG-CD1 4.3Å; F1178-Y1744 AromaticContact CG-CD2 3.42Å; F1178-Y1744 HydrophobicContact CG-CD2 3.42Å; F1178-Y1744 VanDerWaalsContact CG-CD2 3.42Å; F1178-Y1744 HydrophobicContact CG-CE1 4.43Å; F1178-Y1744 AromaticContact CG-CE2 3.55Å; F1178-Y1744 HydrophobicContact CG-CE2 3.55Å; F1178-Y1744 AromaticContact CG-CG 3.76Å; F1178-Y1744 HydrophobicContact CG-CG 3.76Å; F1178-Y1744 AromaticContact CZ-CD2 3.65Å; F1178-Y1744 HydrophobicContact CZ-CD2 3.65Å; F1178-Y1744 AromaticContact CZ-CE2 3.89Å; F1178-Y1744 HydrophobicContact CZ-CE2 3.89Å; P1180-Y1744 VanDerWaalsContact CD-OH 3.26Å; P1180-Y1744 WeakPolarHBondContact CD-OH 3.27Å | |||
| 1745 | A | 28.9 | Very low | 27.3 | Very low | 84 Ų | 84 | 125.6 Ų | 125.6 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | trans | 73.3 | 130.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1746 | Q | 25.4 | Very low | 27.4 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | cis | 65.7 | 78.6 | 10.4 | -149.3 | -172.6 | 23.5 | 0 | 0 | 115.9 | ||||
| 1747 | V | 26.2 | Very low | 27.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | -161.7 | 99.2 | 126 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1748 | Y | 29.5 | Very low | 27.8 | Very low | 294 Ų | 294 | 130.7 Ų | 130.7 | 100% | 1.153 | 70% | 0.696 | S | S | * | * | -168.9 | 0 | 110.3 | -111.3 | -69.5 | 0 | 0 | 0 | 110.5 |
Retrieved 1,748 of 1,748 residues in 1543.5 ms
(Link to these results)