| 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 | 63 | Low | 85.4 | Confident | 198 Ų | 198 | 97.2 Ų | 97.2 | 98% | 0.975 | 50% | 0.497 | S | S | * | . | 0 | 141.8 | 0 | -67.3 | -167.9 | -162.5 | 0 | 0 | 107.1 | E5 | M1-E5 HydrophobicContact CB-CB 4.24Š| |||
| 2 | G | 86.1 | Confident | 85.6 | Confident | 37 Ų | 37 | 90.8 Ų | 90.8 | 38% | 0.381 | 47% | 0.47 | S | S | . | . | trans | -73 | 160.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R4 E5 E6 | G2-R4 PolarHBondContact O-N 3Å; G2-R4 VanDerWaalsContact O-N 3.1Å; G2-E5 WeakPolarHBondContact CA-OE2 3.44Å; G2-E5 PolarHBondContact N-OE2 3.21Å; G2-E5 PolarHBondContact O-N 3.41Å; G2-E6 PolarHBondContact O-N 3.38Å; G2-E6 VanDerWaalsContact O-N 3.13Å | ||
| 3 | L | 87.9 | Confident | 85.9 | Confident | 124 Ų | 124 | 87.2 Ų | 87.2 | 65% | 0.649 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -53.9 | -31.7 | 177.9 | -176.9 | 67.4 | 0 | 0 | 0 | 112.2 | I7 | L3-I7 HydrophobicContact CD1-CD1 4.15Å; L3-I7 HydrophobicContact CD1-CG1 4.39Å; L3-I7 HydrophobicContact CD2-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 3.88Å; L3-I7 HydrophobicContact CG-CG1 4.47Å; L3-I7 WeakPolarHBondContact O-CB 3.4Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.13Å; L3-I7 PolarHBondContact O-N 2.79Å |
| 4 | R | 85.9 | Confident | 86.1 | Confident | 147 Ų | 147 | 82.9 Ų | 82.9 | 56% | 0.555 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.9 | -47.2 | 176.4 | -177.7 | 179.9 | 177 | -77.1 | -1.5 | 111.8 | G2 E6 Q8 | G2-R4 PolarHBondContact O-N 3Å; G2-R4 VanDerWaalsContact O-N 3.1Å; R4-E6 VanDerWaalsContact C-N 3.33Å; R4-Q8 WeakPolarHBondContact O-CB 3.18Å; R4-Q8 WeakPolarHBondContact O-CG 3.32Å; R4-Q8 PolarHBondContact O-N 3.34Å |
| 5 | E | 87.4 | Confident | 86.4 | Confident | 85 Ų | 85 | 79.2 Ų | 79.2 | 40% | 0.397 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.1 | -35 | 180 | -66.4 | 73.4 | -138.4 | 0 | 0 | 111.6 | M1 G2 Q8 S9 | M1-E5 HydrophobicContact CB-CB 4.24Å; G2-E5 WeakPolarHBondContact CA-OE2 3.44Å; G2-E5 PolarHBondContact N-OE2 3.21Å; G2-E5 PolarHBondContact O-N 3.41Å; E5-Q8 PolarHBondContact O-N 3.49Å; E5-S9 WeakPolarHBondContact O-CB 3.14Å; E5-S9 PolarHBondContact O-N 3Å |
| 6 | E | 89.4 | Confident | 86.6 | Confident | 97 Ų | 97 | 80.3 Ų | 80.3 | 45% | 0.453 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -52.7 | 175.9 | -174.2 | 173.8 | -163.5 | 0 | 0 | 111.3 | G2 R4 Q8 S9 E10 | G2-E6 PolarHBondContact O-N 3.38Å; G2-E6 VanDerWaalsContact O-N 3.13Å; R4-E6 VanDerWaalsContact C-N 3.33Å; E6-Q8 VanDerWaalsContact C-N 3.27Å; E6-Q8 PolarHBondContact O-N 3.16Å; E6-S9 WeakPolarHBondContact O-CB 3.48Å; E6-S9 PolarHBondContact O-N 2.88Å; E6-S9 VanDerWaalsContact O-N 3.14Å; E6-E10 WeakPolarHBondContact O-CG 3.5Å; E6-E10 PolarHBondContact O-N 3.49Å |
| 7 | I | 87.6 | Confident | 86.8 | Confident | 85 Ų | 85 | 84.3 Ų | 84.3 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 176.6 | -68.3 | 170.8 | 0 | 0 | 0 | 111 | L3 E10 V11 | L3-I7 HydrophobicContact CD1-CD1 4.15Å; L3-I7 HydrophobicContact CD1-CG1 4.39Å; L3-I7 HydrophobicContact CD2-CD1 4.48Å; L3-I7 HydrophobicContact CG-CD1 3.88Å; L3-I7 HydrophobicContact CG-CG1 4.47Å; L3-I7 WeakPolarHBondContact O-CB 3.4Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.13Å; L3-I7 PolarHBondContact O-N 2.79Å; I7-E10 PolarHBondContact O-N 2.9Å; I7-V11 HydrophobicContact CG2-CG2 4.15Å; I7-V11 WeakPolarHBondContact O-CB 3.47Å; I7-V11 VanDerWaalsContact O-CG2 3.25Å; I7-V11 WeakPolarHBondContact O-CG2 3.26Å; I7-V11 PolarHBondContact O-N 3.08Å |
| 8 | Q | 86.6 | Confident | 86.9 | Confident | 51 Ų | 51 | 87 Ų | 87 | 24% | 0.238 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 177.6 | -77.6 | 177.7 | -17.8 | 0 | 0 | 112.1 | R4 E5 E6 A12 C81 | R4-Q8 WeakPolarHBondContact O-CB 3.18Å; R4-Q8 WeakPolarHBondContact O-CG 3.32Å; R4-Q8 PolarHBondContact O-N 3.34Å; E5-Q8 PolarHBondContact O-N 3.49Å; E6-Q8 VanDerWaalsContact C-N 3.27Å; E6-Q8 PolarHBondContact O-N 3.16Å; Q8-A12 VanDerWaalsContact O-CB 3.26Å; Q8-A12 WeakPolarHBondContact O-CB 3.21Å; Q8-A12 PolarHBondContact O-N 2.83Å; Q8-C81 HydrophobicContact CG-CB 4.41Å |
| 9 | S | 87.3 | Confident | 87 | Confident | 75 Ų | 75 | 86.5 Ų | 86.5 | 52% | 0.524 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 176.2 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | E5 E6 A13 | E5-S9 WeakPolarHBondContact O-CB 3.14Å; E5-S9 PolarHBondContact O-N 3Å; E6-S9 WeakPolarHBondContact O-CB 3.48Å; E6-S9 PolarHBondContact O-N 2.88Å; E6-S9 VanDerWaalsContact O-N 3.14Å; S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 3.05Å |
| 10 | E | 89.9 | Confident | 87 | Confident | 122 Ų | 122 | 84.8 Ų | 84.8 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.4 | -42.5 | 179.1 | -72.5 | -176.2 | 170.1 | 0 | 0 | 112.2 | E6 I7 A13 A14 | E6-E10 WeakPolarHBondContact O-CG 3.5Å; E6-E10 PolarHBondContact O-N 3.49Å; I7-E10 PolarHBondContact O-N 2.9Å; E10-A13 PolarHBondContact O-N 2.84Å; E10-A14 WeakPolarHBondContact O-CB 3.32Å; E10-A14 PolarHBondContact O-N 2.88Å |
| 11 | V | 88.2 | Confident | 87 | Confident | 48 Ų | 48 | 87.9 Ų | 87.9 | 29% | 0.291 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.3 | -37.3 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | I7 A14 F15 L79 | I7-V11 HydrophobicContact CG2-CG2 4.15Å; I7-V11 WeakPolarHBondContact O-CB 3.47Å; I7-V11 VanDerWaalsContact O-CG2 3.25Å; I7-V11 WeakPolarHBondContact O-CG2 3.26Å; I7-V11 PolarHBondContact O-N 3.08Å; V11-A14 PolarHBondContact O-N 3.29Å; V11-F15 HydrophobicContact CG1-CD1 4.12Å; V11-F15 HydrophobicContact CG1-CE1 3.75Å; V11-F15 HydrophobicContact CG1-CE2 4.49Å; V11-F15 HydrophobicContact CG1-CZ 3.96Å; V11-F15 WeakPolarHBondContact O-CD1 3.47Å; V11-F15 WeakPolarHBondContact O-CG 3.3Å; V11-F15 PolarHBondContact O-N 2.93Å; V11-L79 HydrophobicContact CB-CD1 4.47Å; V11-L79 HydrophobicContact CG1-CD1 3.54Å |
| 12 | A | 87.7 | Confident | 88.1 | Confident | 20 Ų | 20 | 80.6 Ų | 80.6 | 17% | 0.165 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q8 A14 F15 D16 | Q8-A12 VanDerWaalsContact O-CB 3.26Å; Q8-A12 WeakPolarHBondContact O-CB 3.21Å; Q8-A12 PolarHBondContact O-N 2.83Å; A12-A14 VanDerWaalsContact C-N 3.35Å; A12-A14 PolarHBondContact O-N 3.36Å; A12-F15 WeakPolarHBondContact O-CB 3.42Å; A12-F15 PolarHBondContact O-N 3.11Å; A12-D16 PolarHBondContact O-N 3.49Å |
| 13 | A | 89.3 | Confident | 88.3 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S9 E10 F15 D16 E17 | S9-A13 WeakPolarHBondContact O-CB 3.28Å; S9-A13 PolarHBondContact O-N 3.05Å; E10-A13 PolarHBondContact O-N 2.84Å; A13-F15 VanDerWaalsContact C-N 3.27Å; A13-F15 PolarHBondContact O-N 3.24Å; A13-D16 PolarHBondContact O-N 3.15Å; A13-D16 VanDerWaalsContact O-N 3.14Å; A13-E17 PolarHBondContact O-N 2.89Å; A13-E17 VanDerWaalsContact O-N 3.07Å |
| 14 | A | 89.5 | Confident | 88.3 | Confident | 27 Ų | 27 | 75.5 Ų | 75.5 | 22% | 0.223 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E10 V11 A12 D16 D18 L19 | E10-A14 WeakPolarHBondContact O-CB 3.32Å; E10-A14 PolarHBondContact O-N 2.88Å; V11-A14 PolarHBondContact O-N 3.29Å; A12-A14 VanDerWaalsContact C-N 3.35Å; A12-A14 PolarHBondContact O-N 3.36Å; A14-D16 VanDerWaalsContact C-N 3.31Å; A14-D18 PolarHBondContact O-N 3.45Å; A14-D18 VanDerWaalsContact O-N 3.12Å; A14-L19 HydrophobicContact CB-CD1 4.23Å; A14-L19 WeakPolarHBondContact O-CA 3.48Å; A14-L19 WeakPolarHBondContact O-CB 3.32Å; A14-L19 PolarHBondContact O-N 3.5Å |
| 15 | F | 89.8 | Confident | 88.6 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 12% | 0.118 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.6 | -27.6 | 175.8 | -77 | 10.8 | 0 | 0 | 0 | 113 | V11 A12 A13 L19 A20 V23 L79 | V11-F15 HydrophobicContact CG1-CD1 4.12Å; V11-F15 HydrophobicContact CG1-CE1 3.75Å; V11-F15 HydrophobicContact CG1-CE2 4.49Å; V11-F15 HydrophobicContact CG1-CZ 3.96Å; V11-F15 WeakPolarHBondContact O-CD1 3.47Å; V11-F15 WeakPolarHBondContact O-CG 3.3Å; V11-F15 PolarHBondContact O-N 2.93Å; A12-F15 WeakPolarHBondContact O-CB 3.42Å; A12-F15 PolarHBondContact O-N 3.11Å; A13-F15 VanDerWaalsContact C-N 3.27Å; A13-F15 PolarHBondContact O-N 3.24Å; F15-L19 HydrophobicContact CD1-CB 4.14Å; F15-L19 HydrophobicContact CD1-CD1 3.83Å; F15-L19 HydrophobicContact CE1-CD1 3.86Å; F15-A20 WeakPolarHBondContact O-CA 3.41Å; F15-A20 PolarHBondContact O-N 2.8Å; F15-V23 HydrophobicContact CB-CG2 4.1Å; F15-V23 HydrophobicContact CD1-CG2 3.81Å; F15-V23 HydrophobicContact CD2-CG1 4.11Å; F15-V23 HydrophobicContact CD2-CG2 3.87Å; F15-V23 HydrophobicContact CE1-CG2 4.13Å; F15-V23 HydrophobicContact CE2-CG2 4.19Å; F15-V23 HydrophobicContact CG-CG1 4.45Å; F15-V23 HydrophobicContact CG-CG2 3.67Å; F15-V23 HydrophobicContact CZ-CG2 4.31Å; F15-L79 HydrophobicContact CE2-CD1 3.87Å; F15-L79 HydrophobicContact CE2-CG 4.34Å; F15-L79 HydrophobicContact CZ-CD1 3.93Å; F15-L79 HydrophobicContact CZ-CG 4.41Å |
| 16 | D | 89.3 | Confident | 88.9 | Confident | 97 Ų | 97 | 70 Ų | 70 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -84.6 | -23.8 | 178.1 | -68.1 | -29 | 0 | 0 | 0 | 113.1 | A12 A13 A14 R53 | A12-D16 PolarHBondContact O-N 3.49Å; A13-D16 PolarHBondContact O-N 3.15Å; A13-D16 VanDerWaalsContact O-N 3.14Å; A14-D16 VanDerWaalsContact C-N 3.31Å; D16-R53 IonicContact OD1-CZ 2.67Å; D16-R53 IonicContact OD1-NH1 2.72Å; D16-R53 PolarHBondContact OD1-NH1 3.31Å; D16-R53 IonicContact OD1-NH2 2.78Å |
| 17 | E | 90.5 | Very high | 89.1 | Confident | 148 Ų | 148 | 67.1 Ų | 67.1 | 69% | 0.692 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -84.8 | -176.3 | -61.8 | -177.4 | -173.5 | 0 | 0 | 111.3 | A13 L19 A20 | A13-E17 PolarHBondContact O-N 2.89Å; A13-E17 VanDerWaalsContact O-N 3.07Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.93Å; E17-A20 PolarHBondContact O-N 3.21Å |
| 18 | D | 88.8 | Confident | 89.5 | Confident | 133 Ų | 133 | 63.1 Ų | 63.1 | 71% | 0.711 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23.7 | -166.9 | -67.6 | -31.5 | 0 | 0 | 0 | 114.5 | A14 | A14-D18 PolarHBondContact O-N 3.45Å; A14-D18 VanDerWaalsContact O-N 3.12Å |
| 19 | L | 88.2 | Confident | 89.7 | Confident | 77 Ų | 77 | 61.9 Ų | 61.9 | 40% | 0.403 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 10.3 | -176.9 | -57.7 | 175.7 | 0 | 0 | 0 | 112.4 | A14 F15 E17 D21 A22 V23 | A14-L19 HydrophobicContact CB-CD1 4.23Å; A14-L19 WeakPolarHBondContact O-CA 3.48Å; A14-L19 WeakPolarHBondContact O-CB 3.32Å; A14-L19 PolarHBondContact O-N 3.5Å; F15-L19 HydrophobicContact CD1-CB 4.14Å; F15-L19 HydrophobicContact CD1-CD1 3.83Å; F15-L19 HydrophobicContact CE1-CD1 3.86Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 2.93Å; L19-D21 PolarHBondContact O-N 3.47Å; L19-A22 PolarHBondContact O-N 3.03Å; L19-V23 HydrophobicContact CB-CG2 4.42Å; L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.44Å; L19-V23 VanDerWaalsContact O-N 3.1Å |
| 20 | A | 87.5 | Confident | 90 | Very high | 52 Ų | 52 | 61.5 Ų | 61.5 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F15 E17 | F15-A20 WeakPolarHBondContact O-CA 3.41Å; F15-A20 PolarHBondContact O-N 2.8Å; E17-A20 PolarHBondContact O-N 3.21Å |
| 21 | D | 86.8 | Confident | 89.8 | Confident | 150 Ų | 150 | 59 Ų | 59 | 80% | 0.802 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -23.1 | 175.6 | 71.4 | -36.7 | 0 | 0 | 0 | 113.3 | L19 | L19-D21 PolarHBondContact O-N 3.47Š|
| 22 | A | 86.9 | Confident | 89.5 | Confident | 45 Ų | 45 | 59 Ų | 59 | 37% | 0.372 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -21.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L19 | L19-A22 PolarHBondContact O-N 3.03Š|
| 23 | V | 89.8 | Confident | 89 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 10% | 0.103 | 37% | 0.369 | C | S | . | . | trans | -94.9 | 137.1 | -177.8 | 179.6 | 0 | 0 | 0 | 0 | 110 | F15 L19 R53 V55 | F15-V23 HydrophobicContact CB-CG2 4.1Å; F15-V23 HydrophobicContact CD1-CG2 3.81Å; F15-V23 HydrophobicContact CD2-CG1 4.11Å; F15-V23 HydrophobicContact CD2-CG2 3.87Å; F15-V23 HydrophobicContact CE1-CG2 4.13Å; F15-V23 HydrophobicContact CE2-CG2 4.19Å; F15-V23 HydrophobicContact CG-CG1 4.45Å; F15-V23 HydrophobicContact CG-CG2 3.67Å; F15-V23 HydrophobicContact CZ-CG2 4.31Å; L19-V23 HydrophobicContact CB-CG2 4.42Å; L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.44Å; L19-V23 VanDerWaalsContact O-N 3.1Å; V23-R53 HydrophobicContact CG1-CB 3.83Å; V23-V55 HydrophobicContact CG2-CG2 4.24Å | ||
| 24 | S | 89 | Confident | 88.2 | Confident | 37 Ų | 37 | 71.5 Ų | 71.5 | 26% | 0.259 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 138.7 | 176.2 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | R53 G54 | S24-R53 WeakPolarHBondContact O-CA 3.43Å; S24-G54 PolarHBondContact N-O 3.04Å; S24-G54 PolarHBondContact O-N 3.48Å |
| 25 | D | 92.1 | Very high | 87.2 | Confident | 110 Ų | 110 | 78.6 Ų | 78.6 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 138.9 | 169.8 | -61.8 | -17.9 | 0 | 0 | 0 | 109.5 | G52 R53 | D25-G52 WeakPolarHBondContact CA-O 3.39Å; D25-R53 WeakPolarHBondContact OD1-CD 3.39Å; D25-R53 WeakPolarHBondContact OD1-CG 3.32Å |
| 26 | F | 93.6 | Very high | 86.5 | Confident | 8 Ų | 8 | 84.1 Ų | 84.1 | 4% | 0.035 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152.9 | 173.8 | 71.1 | -93 | 0 | 0 | 0 | 111 | Y50 T51 G52 L76 A78 V83 I93 E94 I95 | F26-Y50 HydrophobicContact CE2-CD2 4.3Å; F26-Y50 AromaticContact CE2-CE2 3.97Å; F26-Y50 HydrophobicContact CE2-CE2 3.97Å; F26-T51 WeakPolarHBondContact O-CA 3.36Å; F26-G52 VanDerWaalsContact CD1-C 3.47Å; F26-G52 VanDerWaalsContact CD1-O 3.23Å; F26-G52 WeakPolarHBondContact CD1-O 3.04Å; F26-G52 PolarHBondContact N-O 2.87Å; F26-G52 PolarHBondContact O-N 2.87Å; F26-L76 HydrophobicContact CD1-CD1 4.1Å; F26-L76 HydrophobicContact CD1-CD2 4.07Å; F26-L76 HydrophobicContact CD2-CD2 4.28Å; F26-L76 HydrophobicContact CE1-CD1 4.3Å; F26-L76 HydrophobicContact CE1-CD2 4Å; F26-L76 HydrophobicContact CE2-CD2 4.22Å; F26-L76 HydrophobicContact CG-CD2 4.21Å; F26-L76 HydrophobicContact CZ-CD2 4.07Å; F26-A78 HydrophobicContact CE1-CB 3.86Å; F26-A78 HydrophobicContact CZ-CB 4.12Å; F26-V83 HydrophobicContact CE1-CG2 4.42Å; F26-V83 HydrophobicContact CE2-CG1 4.09Å; F26-V83 HydrophobicContact CZ-CB 4.47Å; F26-V83 HydrophobicContact CZ-CG1 3.76Å; F26-V83 HydrophobicContact CZ-CG2 3.81Å; F26-I93 HydrophobicContact CB-CG2 4.03Å; F26-I93 HydrophobicContact CD2-CG2 3.91Å; F26-I93 HydrophobicContact CG-CG2 4.23Å; F26-E94 VanDerWaalsContact CA-O 3.31Å; F26-E94 WeakPolarHBondContact CA-O 3.46Å; F26-I95 HydrophobicContact CB-CB 3.89Å; F26-I95 HydrophobicContact CB-CD1 3.87Å; F26-I95 HydrophobicContact CB-CG1 3.95Å |
| 27 | S | 93.7 | Very high | 85.7 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 25% | 0.252 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.1 | 168.3 | 60.8 | 0 | 0 | 0 | 0 | 109.7 | Y50 E94 | S27-Y50 CarbonylContact C-O 3.59Å; S27-Y50 WeakPolarHBondContact CA-O 3.46Å; S27-E94 PolarHBondContact N-O 2.89Å; S27-E94 PolarHBondContact O-N 2.73Å |
| 28 | G | 94.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 149.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I49 Y50 I92 | G28-I49 CarbonylContact O-C 3.6Å; G28-I49 WeakPolarHBondContact O-CA 3.45Å; G28-Y50 VanDerWaalsContact C-CE1 3.49Å; G28-Y50 VanDerWaalsContact CA-CZ 3.44Å; G28-Y50 PolarHBondContact N-O 3.15Å; G28-Y50 WeakPolarHBondContact O-CD1 3.5Å; G28-Y50 PolarHBondContact O-N 3.02Å; G28-I92 CarbonylContact C-O 3.6Å; G28-I92 VanDerWaalsContact CA-O 3.24Å; G28-I92 WeakPolarHBondContact CA-O 3.28Å |
| 29 | S | 92.4 | Very high | 84.4 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 18% | 0.175 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 146.2 | 175.7 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | A48 I92 | S29-A48 VanDerWaalsContact CA-O 3.26Å; S29-A48 WeakPolarHBondContact CA-O 3.49Å; S29-I92 PolarHBondContact N-O 2.91Å; S29-I92 PolarHBondContact O-N 3.47Å |
| 30 | Y | 91.9 | Very high | 83.6 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 26% | 0.263 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.9 | 174.1 | 65.3 | -80.6 | 0 | 0 | 0 | 110.1 | T32 T47 A48 Y50 D85 H91 | Y30-T32 HydrophobicContact CD2-CG2 3.78Å; Y30-T32 HydrophobicContact CE2-CG2 3.32Å; Y30-T47 WeakPolarHBondContact O-CA 3.33Å; Y30-A48 HydrophobicContact CD1-CB 4.02Å; Y30-A48 HydrophobicContact CD2-CB 4.36Å; Y30-A48 HydrophobicContact CE1-CB 3.49Å; Y30-A48 VanDerWaalsContact CE1-CB 3.49Å; Y30-A48 HydrophobicContact CE2-CB 3.9Å; Y30-A48 HydrophobicContact CG-CB 4.42Å; Y30-A48 VanDerWaalsContact CZ-CB 3.4Å; Y30-A48 PolarHBondContact N-O 3.48Å; Y30-A48 PolarHBondContact O-N 3.28Å; Y30-Y50 HydrophobicContact CD1-CD1 4.03Å; Y30-Y50 AromaticContact CD1-CE1 3.91Å; Y30-Y50 HydrophobicContact CD1-CE1 3.91Å; Y30-Y50 HydrophobicContact CE1-CD1 4.02Å; Y30-Y50 HydrophobicContact CE1-CE1 4.28Å; Y30-D85 PolarHBondContact OH-OD2 3.14Å; Y30-D85 VanDerWaalsContact OH-OD2 3.12Å; Y30-H91 AromaticContact CD1-CE1 3.64Å; Y30-H91 AromaticContact CD1-NE2 3.94Å; Y30-H91 AromaticContact CG-CE1 3.86Å; Y30-H91 AromaticContact CG-NE2 3.66Å |
| 31 | V | 87.2 | Confident | 82.6 | Confident | 70 Ų | 70 | 84.5 Ų | 84.5 | 42% | 0.424 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 126.7 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | E45 | V31-E45 HydrophobicContact CG1-CB 3.85Å; V31-E45 HydrophobicContact CG1-CG 3.83Å |
| 32 | T | 81.1 | Confident | 81.6 | Confident | 48 Ų | 48 | 81.6 Ų | 81.6 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.7 | 168.5 | 59.2 | 0 | 0 | 0 | 0 | 109.4 | Y30 S46 A48 | Y30-T32 HydrophobicContact CD2-CG2 3.78Å; Y30-T32 HydrophobicContact CE2-CG2 3.32Å; T32-S46 PolarHBondContact N-O 3.04Å; T32-S46 PolarHBondContact O-N 2.69Å; T32-S46 PolarHBondContact OG1-O 2.71Å; T32-A48 HydrophobicContact CG2-CB 4.34Å |
| 33 | H | 77.5 | Confident | 80.8 | Confident | 153 Ų | 153 | 81.4 Ų | 81.4 | 71% | 0.708 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 117.4 | 173.9 | -64.9 | 81.6 | 0 | 0 | 0 | 108.2 | ||
| 34 | R | 71.8 | Confident | 80.1 | Confident | 174 Ų | 174 | 82.6 Ų | 82.6 | 66% | 0.657 | 44% | 0.444 | S | S | * | . | trans | -77.9 | 164.7 | 171.1 | -73.5 | -165.4 | 179.6 | -164.4 | 2.9 | 110.9 | W36 G44 | R34-W36 PolarHBondContact O-N 2.89Å; R34-W36 VanDerWaalsContact O-N 3.08Å; R34-G44 WeakPolarHBondContact CB-O 3.41Å; R34-G44 PolarHBondContact N-O 3.47Å | ||
| 35 | H | 69 | Low | 79.8 | Confident | 177 Ų | 177 | 87.8 Ų | 87.8 | 82% | 0.819 | 46% | 0.464 | S | S | * | . | trans | -44.3 | 114.3 | -179 | -172.4 | 71.8 | 0 | 0 | 0 | 111.6 | D37 | H35-D37 PolarHBondContact O-N 2.65Š| ||
| 36 | W | 76 | Confident | 79.3 | Confident | 143 Ų | 143 | 84.4 Ų | 84.4 | 54% | 0.542 | 45% | 0.449 | S | S | . | . | trans | -66.1 | 120.2 | 174.7 | 176.7 | -96.8 | 0 | 0 | 0 | 109.5 | R34 P38 E41 | R34-W36 PolarHBondContact O-N 2.89Å; R34-W36 VanDerWaalsContact O-N 3.08Å; W36-P38 VanDerWaalsContact O-CD 3.28Å; W36-P38 WeakPolarHBondContact O-CD 3.32Å; W36-E41 HydrophobicContact CH2-CB 4.27Å; W36-E41 WeakPolarHBondContact CH2-O 3.22Å; W36-E41 HydrophobicContact CZ2-CB 4.08Å; W36-E41 HydrophobicContact CZ2-CG 4.47Å | ||
| 37 | D | 72.7 | Confident | 79.1 | Confident | 58 Ų | 58 | 88.1 Ų | 88.1 | 31% | 0.31 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -82.7 | 110.5 | 169 | 175.7 | 9.3 | 0 | 0 | 0 | 108.8 | H35 V39 T40 E41 T42 | H35-D37 PolarHBondContact O-N 2.65Å; D37-V39 PolarHBondContact O-N 3.27Å; D37-V39 PolarHBondContact OD1-N 3.32Å; D37-T40 WeakPolarHBondContact CB-OG1 3.47Å; D37-T40 VanDerWaalsContact CG-OG1 3.25Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.5Å; D37-T40 PolarHBondContact OD2-OG1 3.3Å; D37-E41 PolarHBondContact O-N 2.72Å; D37-T42 PolarHBondContact N-O 3Å |
| 38 | P | 73.6 | Confident | 78.9 | Confident | 94 Ų | 94 | 87.5 Ų | 87.5 | 61% | 0.61 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15.3 | -177.4 | 29.9 | -35.9 | 0 | 0 | 0 | 113.4 | W36 | W36-P38 VanDerWaalsContact O-CD 3.28Å; W36-P38 WeakPolarHBondContact O-CD 3.32Å |
| 39 | V | 76.6 | Confident | 78.9 | Confident | 129 Ų | 129 | 93.4 Ų | 93.4 | 78% | 0.782 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -33.8 | -175.6 | -175.5 | 0 | 0 | 0 | 0 | 112.1 | D37 | D37-V39 PolarHBondContact O-N 3.27Å; D37-V39 PolarHBondContact OD1-N 3.32Å |
| 40 | T | 72 | Confident | 78.9 | Confident | 79 Ų | 79 | 92.4 Ų | 92.4 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -5.5 | 177.9 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | D37 T42 | D37-T40 WeakPolarHBondContact CB-OG1 3.47Å; D37-T40 VanDerWaalsContact CG-OG1 3.25Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.5Å; D37-T40 PolarHBondContact OD2-OG1 3.3Å; T40-T42 PolarHBondContact O-N 2.92Å; T40-T42 VanDerWaalsContact O-N 3.13Å; T40-T42 PolarHBondContact OG1-OG1 3.48Å |
| 41 | E | 67 | Low | 79 | Confident | 154 Ų | 154 | 93 Ų | 93 | 72% | 0.72 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 30.6 | -172 | -60.4 | -173.3 | 166.5 | 0 | 0 | 112.8 | W36 D37 | W36-E41 HydrophobicContact CH2-CB 4.27Å; W36-E41 WeakPolarHBondContact CH2-O 3.22Å; W36-E41 HydrophobicContact CZ2-CB 4.08Å; W36-E41 HydrophobicContact CZ2-CG 4.47Å; D37-E41 PolarHBondContact O-N 2.72Å |
| 42 | T | 64.8 | Low | 79.3 | Confident | 90 Ų | 90 | 89.9 Ų | 89.9 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | B | Isolated β-bridge | trans | -111.4 | 124.5 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 110.5 | D37 T40 | D37-T42 PolarHBondContact N-O 3Å; T40-T42 PolarHBondContact O-N 2.92Å; T40-T42 VanDerWaalsContact O-N 3.13Å; T40-T42 PolarHBondContact OG1-OG1 3.48Å |
| 43 | G | 71.7 | Confident | 79.8 | Confident | 41 Ų | 41 | 90.3 Ų | 90.3 | 42% | 0.423 | 48% | 0.482 | S | S | . | . | trans | -112 | 135.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 44 | G | 75 | Confident | 80.4 | Confident | 42 Ų | 42 | 83 Ų | 83 | 43% | 0.433 | 45% | 0.448 | S | S | . | . | trans | -86.1 | 127.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R34 | R34-G44 WeakPolarHBondContact CB-O 3.41Å; R34-G44 PolarHBondContact N-O 3.47Å | ||
| 45 | E | 81.4 | Confident | 81.3 | Confident | 145 Ų | 145 | 76.9 Ų | 76.9 | 68% | 0.678 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 134.4 | 161 | -71.2 | -180 | -172.9 | 0 | 0 | 109 | V31 | V31-E45 HydrophobicContact CG1-CB 3.85Å; V31-E45 HydrophobicContact CG1-CG 3.83Å |
| 46 | S | 82.8 | Confident | 82.2 | Confident | 39 Ų | 39 | 69.5 Ų | 69.5 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 116.8 | 171.9 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | T32 A48 | T32-S46 PolarHBondContact N-O 3.04Å; T32-S46 PolarHBondContact O-N 2.69Å; T32-S46 PolarHBondContact OG1-O 2.71Å; S46-A48 PolarHBondContact O-N 3.26Å |
| 47 | T | 88.1 | Confident | 82.7 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 117.9 | 171.9 | -50.1 | 0 | 0 | 0 | 0 | 109.2 | Y30 I49 | Y30-T47 WeakPolarHBondContact O-CA 3.33Å; T47-I49 HydrophobicContact CG2-CG1 4.23Å |
| 48 | A | 90.4 | Very high | 83.3 | Confident | 23 Ų | 23 | 70.2 Ų | 70.2 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 135.8 | 167 | 0 | 0 | 0 | 0 | 0 | 108.3 | S29 Y30 T32 S46 | S29-A48 VanDerWaalsContact CA-O 3.26Å; S29-A48 WeakPolarHBondContact CA-O 3.49Å; Y30-A48 HydrophobicContact CD1-CB 4.02Å; Y30-A48 HydrophobicContact CD2-CB 4.36Å; Y30-A48 HydrophobicContact CE1-CB 3.49Å; Y30-A48 VanDerWaalsContact CE1-CB 3.49Å; Y30-A48 HydrophobicContact CE2-CB 3.9Å; Y30-A48 HydrophobicContact CG-CB 4.42Å; Y30-A48 VanDerWaalsContact CZ-CB 3.4Å; Y30-A48 PolarHBondContact N-O 3.48Å; Y30-A48 PolarHBondContact O-N 3.28Å; T32-A48 HydrophobicContact CG2-CB 4.34Å; S46-A48 PolarHBondContact O-N 3.26Å |
| 49 | I | 93.1 | Very high | 83.7 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 64% | 0.641 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.2 | 178.9 | -57.3 | 173.1 | 0 | 0 | 0 | 107.2 | G28 T47 | G28-I49 CarbonylContact O-C 3.6Å; G28-I49 WeakPolarHBondContact O-CA 3.45Å; T47-I49 HydrophobicContact CG2-CG1 4.23Å |
| 50 | Y | 93.6 | Very high | 83.7 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 1% | 0.012 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 152.8 | 171.5 | 60.5 | -88.8 | 0 | 0 | 0 | 109.4 | F26 S27 G28 Y30 V83 T84 D85 P87 H91 | F26-Y50 HydrophobicContact CE2-CD2 4.3Å; F26-Y50 AromaticContact CE2-CE2 3.97Å; F26-Y50 HydrophobicContact CE2-CE2 3.97Å; S27-Y50 CarbonylContact C-O 3.59Å; S27-Y50 WeakPolarHBondContact CA-O 3.46Å; G28-Y50 VanDerWaalsContact C-CE1 3.49Å; G28-Y50 VanDerWaalsContact CA-CZ 3.44Å; G28-Y50 PolarHBondContact N-O 3.15Å; G28-Y50 WeakPolarHBondContact O-CD1 3.5Å; G28-Y50 PolarHBondContact O-N 3.02Å; Y30-Y50 HydrophobicContact CD1-CD1 4.03Å; Y30-Y50 AromaticContact CD1-CE1 3.91Å; Y30-Y50 HydrophobicContact CD1-CE1 3.91Å; Y30-Y50 HydrophobicContact CE1-CD1 4.02Å; Y30-Y50 HydrophobicContact CE1-CE1 4.28Å; Y50-V83 HydrophobicContact CD2-CG1 3.84Å; Y50-V83 HydrophobicContact CE2-CG1 4.28Å; Y50-T84 WeakPolarHBondContact CA-OG1 3.16Å; Y50-T84 VanDerWaalsContact CB-OG1 3.26Å; Y50-T84 WeakPolarHBondContact CB-OG1 3.43Å; Y50-D85 HydrophobicContact CD1-CB 4.17Å; Y50-D85 HydrophobicContact CD2-CB 4.47Å; Y50-D85 HydrophobicContact CG-CB 3.85Å; Y50-P87 HydrophobicContact CE2-CB 4.35Å; Y50-P87 HydrophobicContact CE2-CG 4.01Å; Y50-P87 WeakPolarHBondContact OH-CA 3.49Å; Y50-H91 AromaticContact CE1-ND1 3.38Å; Y50-H91 WeakPolarHBondContact CE1-ND1 3.13Å; Y50-H91 AromaticContact CZ-ND1 3.58Å; Y50-H91 WeakPolarHBondContact OH-CB 3.33Å; Y50-H91 PolarHBondContact OH-ND1 2.78Å; Y50-H91 VanDerWaalsContact OH-ND1 3.08Å |
| 51 | T | 94.5 | Very high | 83.8 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 155.5 | 177.2 | 56.6 | 0 | 0 | 0 | 0 | 109.6 | F26 V83 T84 | F26-T51 WeakPolarHBondContact O-CA 3.36Å; T51-V83 WeakPolarHBondContact O-CA 3.48Å; T51-T84 PolarHBondContact N-OG1 2.78Å; T51-T84 PolarHBondContact O-N 3.4Å; T51-T84 PolarHBondContact O-OG1 3.45Å |
| 52 | G | 93.3 | Very high | 84.1 | Confident | 6 Ų | 6 | 70.1 Ų | 70.1 | 6% | 0.062 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | -175.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D25 F26 E82 | D25-G52 WeakPolarHBondContact CA-O 3.39Å; F26-G52 VanDerWaalsContact CD1-C 3.47Å; F26-G52 VanDerWaalsContact CD1-O 3.23Å; F26-G52 WeakPolarHBondContact CD1-O 3.04Å; F26-G52 PolarHBondContact N-O 2.87Å; F26-G52 PolarHBondContact O-N 2.87Å; G52-E82 WeakPolarHBondContact CA-O 3.21Å |
| 53 | R | 90.6 | Very high | 84.6 | Confident | 56 Ų | 56 | 70 Ų | 70 | 21% | 0.211 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.3 | -179.7 | -53.8 | -170.7 | -70 | 173.8 | 0.7 | 109.7 | D16 V23 S24 D25 A78 E82 | D16-R53 IonicContact OD1-CZ 2.67Å; D16-R53 IonicContact OD1-NH1 2.72Å; D16-R53 PolarHBondContact OD1-NH1 3.31Å; D16-R53 IonicContact OD1-NH2 2.78Å; V23-R53 HydrophobicContact CG1-CB 3.83Å; S24-R53 WeakPolarHBondContact O-CA 3.43Å; D25-R53 WeakPolarHBondContact OD1-CD 3.39Å; D25-R53 WeakPolarHBondContact OD1-CG 3.32Å; R53-A78 WeakPolarHBondContact O-CB 3.48Å; R53-E82 IonicContact CZ-OE2 2.61Å; R53-E82 VanDerWaalsContact CZ-OE2 3.24Å; R53-E82 PolarHBondContact N-O 2.85Å; R53-E82 IonicContact NE-OE2 2.82Å; R53-E82 PolarHBondContact NE-OE2 3.2Å; R53-E82 IonicContact NH2-OE1 3.06Å; R53-E82 IonicContact NH2-OE2 3.23Å; R53-E82 PolarHBondContact NH2-OE2 2.82Å |
| 54 | G | 89.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 174 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S24 T77 | S24-G54 PolarHBondContact N-O 3.04Å; S24-G54 PolarHBondContact O-N 3.48Å; G54-T77 CarbonylContact C-O 3.51Å; G54-T77 WeakPolarHBondContact CA-O 3.36Å |
| 55 | V | 90.6 | Very high | 84.6 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.6 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | V23 T77 | V23-V55 HydrophobicContact CG2-CG2 4.24Å; V55-T77 PolarHBondContact N-O 2.87Å; V55-T77 PolarHBondContact O-N 2.96Å |
| 56 | L | 88.3 | Confident | 84.1 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 12% | 0.12 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.2 | 175.2 | -151.7 | 72.8 | 0 | 0 | 0 | 109.6 | L74 K75 L76 I95 P98 | L56-L74 HydrophobicContact CD1-CB 4.24Å; L56-L74 HydrophobicContact CD2-CB 4.33Å; L56-L74 HydrophobicContact CD2-CD1 3.58Å; L56-L74 HydrophobicContact CD2-CG 4.45Å; L56-L74 HydrophobicContact CG-CB 4.1Å; L56-L74 HydrophobicContact CG-CD1 4.21Å; L56-K75 WeakPolarHBondContact CA-O 3.39Å; L56-L76 HydrophobicContact CD1-CB 3.85Å; L56-L76 HydrophobicContact CD1-CD1 3.99Å; L56-I95 HydrophobicContact CB-CD1 4.28Å; L56-I95 HydrophobicContact CD1-CD1 4.12Å; L56-I95 HydrophobicContact CD1-CG2 4.29Å; L56-I95 HydrophobicContact CD2-CD1 4.3Å; L56-I95 HydrophobicContact CD2-CG2 3.76Å; L56-I95 HydrophobicContact CG-CD1 4.48Å; L56-P98 HydrophobicContact CD2-CG 4.43Å |
| 57 | T | 87.8 | Confident | 83.5 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 44% | 0.442 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 143 | -176.9 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | K75 | T57-K75 PolarHBondContact N-O 3.09Å; T57-K75 PolarHBondContact O-N 2.67Å |
| 58 | R | 84.8 | Confident | 82.5 | Confident | 143 Ų | 143 | 69.3 Ų | 69.3 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 146.5 | 172.1 | -76.1 | 179.8 | 173 | -179.8 | -5.7 | 111.9 | L74 | R58-L74 HydrophobicContact CB-CD2 4.37Å; R58-L74 HydrophobicContact CG-CD2 3.48Å; R58-L74 VanDerWaalsContact CG-CD2 3.48Å |
| 59 | Y | 81.4 | Confident | 81.7 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 145.8 | 166.7 | -70.5 | -78.1 | 0 | 0 | 0 | 110.7 | I69 D73 K75 | Y59-I69 HydrophobicContact CD1-CD1 4.05Å; Y59-I69 HydrophobicContact CD1-CG2 4.37Å; Y59-I69 HydrophobicContact CD2-CG2 3.57Å; Y59-I69 HydrophobicContact CE1-CD1 4.09Å; Y59-I69 HydrophobicContact CE2-CG2 4.12Å; Y59-I69 HydrophobicContact CG-CD1 4.44Å; Y59-I69 HydrophobicContact CG-CG2 3.72Å; Y59-D73 HydrophobicContact CD2-CB 4.03Å; Y59-D73 WeakPolarHBondContact CD2-O 3.4Å; Y59-D73 HydrophobicContact CE2-CB 3.92Å; Y59-K75 HydrophobicContact CE1-CB 4.44Å; Y59-K75 HydrophobicContact CE2-CB 4.5Å |
| 60 | K | 77.2 | Confident | 81 | Confident | 174 Ų | 174 | 66.6 Ų | 66.6 | 76% | 0.757 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 141.5 | 171.9 | -67.8 | -178.5 | 179.4 | 177.4 | 0 | 108.4 | G62 R63 | K60-G62 PolarHBondContact O-N 2.79Å; K60-R63 HydrophobicContact CB-CG 4.46Å; K60-R63 WeakPolarHBondContact O-CB 3.42Å; K60-R63 PolarHBondContact O-N 2.92Å |
| 61 | L | 72.9 | Confident | 80.1 | Confident | 138 Ų | 138 | 73.3 Ų | 73.3 | 72% | 0.723 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -48.7 | -38 | 179.6 | -79.1 | 161.9 | 0 | 0 | 0 | 113.4 | R63 I64 | L61-R63 PolarHBondContact O-N 2.78Å; L61-I64 HydrophobicContact CD2-CD1 4.48Å; L61-I64 PolarHBondContact O-N 2.58Å |
| 62 | G | 73.5 | Confident | 79.4 | Confident | 63 Ų | 63 | 72.1 Ų | 72.1 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -72.2 | -5.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K60 | K60-G62 PolarHBondContact O-N 2.79Š|
| 63 | R | 76.8 | Confident | 79 | Confident | 89 Ų | 89 | 74.7 Ų | 74.7 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -99.6 | -12.4 | 176 | -67.6 | -68.3 | -63.1 | -92.6 | -1.5 | 112.8 | K60 L61 D65 I69 | K60-R63 HydrophobicContact CB-CG 4.46Å; K60-R63 WeakPolarHBondContact O-CB 3.42Å; K60-R63 PolarHBondContact O-N 2.92Å; L61-R63 PolarHBondContact O-N 2.78Å; R63-D65 PolarHBondContact O-N 2.85Å; R63-I69 HydrophobicContact CB-CD1 4.42Å |
| 64 | I | 72.9 | Confident | 78.8 | Confident | 45 Ų | 45 | 73.4 Ų | 73.4 | 23% | 0.231 | 40% | 0.396 | C | S | . | . | trans | -82.5 | 110.6 | -179.5 | -59.9 | 170.1 | 0 | 0 | 0 | 107.1 | L61 I69 H71 | L61-I64 HydrophobicContact CD2-CD1 4.48Å; L61-I64 PolarHBondContact O-N 2.58Å; I64-I69 WeakPolarHBondContact CA-O 3.34Å; I64-I69 HydrophobicContact CG1-CG2 4.15Å; I64-I69 WeakPolarHBondContact CG2-O 3.36Å; I64-H71 HydrophobicContact CG2-CB 4.26Å | ||
| 65 | D | 72.6 | Confident | 78.7 | Confident | 55 Ų | 55 | 78.7 Ų | 78.7 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | trans | -104.7 | -7.3 | -178.1 | 64.7 | 2.6 | 0 | 0 | 0 | 112.9 | R63 I67 N68 I69 | R63-D65 PolarHBondContact O-N 2.85Å; D65-I67 PolarHBondContact O-N 2.83Å; D65-I67 PolarHBondContact OD1-N 2.85Å; D65-N68 PolarHBondContact OD1-N 2.99Å; D65-N68 WeakPolarHBondContact OD2-CB 3.33Å; D65-N68 PolarHBondContact OD2-N 3.19Å; D65-N68 PolarHBondContact OD2-ND2 2.75Å; D65-I69 PolarHBondContact N-O 2.79Å; D65-I69 PolarHBondContact OD1-N 3.1Å | ||
| 66 | G | 71.4 | Confident | 78.6 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 49% | 0.485 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 73.5 | 5.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I69 L70 | G66-I69 PolarHBondContact N-O 2.88Å; G66-I69 VanDerWaalsContact N-O 3.15Å; G66-L70 WeakPolarHBondContact O-CD2 3.3Å |
| 67 | I | 70.3 | Confident | 78.6 | Confident | 138 Ų | 138 | 81.2 Ų | 81.2 | 71% | 0.708 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -125.5 | -53.3 | -179.8 | -61.4 | 177.8 | 0 | 0 | 0 | 110.5 | D65 | D65-I67 PolarHBondContact O-N 2.83Å; D65-I67 PolarHBondContact OD1-N 2.85Å |
| 68 | N | 67.3 | Low | 78.5 | Confident | 52 Ų | 52 | 79.5 Ų | 79.5 | 28% | 0.278 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -101.1 | -32.5 | -180 | -54.4 | -63.1 | 0 | 0 | 0 | 112.4 | D65 I111 | D65-N68 PolarHBondContact OD1-N 2.99Å; D65-N68 WeakPolarHBondContact OD2-CB 3.33Å; D65-N68 PolarHBondContact OD2-N 3.19Å; D65-N68 PolarHBondContact OD2-ND2 2.75Å; N68-I111 HydrophobicContact CB-CD1 4.13Å; N68-I111 VanDerWaalsContact O-CD1 3.31Å; N68-I111 WeakPolarHBondContact O-CD1 3.36Å |
| 69 | I | 73.3 | Confident | 78.4 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.015 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -127 | 110 | 173.7 | -59.6 | 176.9 | 0 | 0 | 0 | 107.4 | Y59 R63 I64 D65 G66 D73 I111 F116 | Y59-I69 HydrophobicContact CD1-CD1 4.05Å; Y59-I69 HydrophobicContact CD1-CG2 4.37Å; Y59-I69 HydrophobicContact CD2-CG2 3.57Å; Y59-I69 HydrophobicContact CE1-CD1 4.09Å; Y59-I69 HydrophobicContact CE2-CG2 4.12Å; Y59-I69 HydrophobicContact CG-CD1 4.44Å; Y59-I69 HydrophobicContact CG-CG2 3.72Å; R63-I69 HydrophobicContact CB-CD1 4.42Å; I64-I69 WeakPolarHBondContact CA-O 3.34Å; I64-I69 HydrophobicContact CG1-CG2 4.15Å; I64-I69 WeakPolarHBondContact CG2-O 3.36Å; D65-I69 PolarHBondContact N-O 2.79Å; D65-I69 PolarHBondContact OD1-N 3.1Å; G66-I69 PolarHBondContact N-O 2.88Å; G66-I69 VanDerWaalsContact N-O 3.15Å; I69-D73 WeakPolarHBondContact CA-OD2 3.46Å; I69-D73 HydrophobicContact CG2-CB 4.29Å; I69-I111 HydrophobicContact CG1-CD1 4.43Å; I69-F116 HydrophobicContact CD1-CE1 4.3Å; I69-F116 HydrophobicContact CD1-CZ 4.49Å |
| 70 | L | 77.4 | Confident | 78.5 | Confident | 88 Ų | 88 | 78.5 Ų | 78.5 | 46% | 0.461 | 44% | 0.442 | S | S | . | . | trans | -83.6 | 159.2 | 177.2 | -58.4 | -178.8 | 0 | 0 | 0 | 110.9 | G66 G72 D73 | G66-L70 WeakPolarHBondContact O-CD2 3.3Å; L70-G72 PolarHBondContact O-N 2.92Å; L70-D73 PolarHBondContact N-OD2 3.18Å; L70-D73 PolarHBondContact O-N 2.85Å | ||
| 71 | H | 75.3 | Confident | 78.8 | Confident | 145 Ų | 145 | 72.8 Ų | 72.8 | 67% | 0.671 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -15.2 | -179 | -160.4 | -71.4 | 0 | 0 | 0 | 113.5 | I64 | I64-H71 HydrophobicContact CG2-CB 4.26Š|
| 72 | G | 80.4 | Confident | 79.5 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 56% | 0.557 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -8.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L70 | L70-G72 PolarHBondContact O-N 2.92Š|
| 73 | D | 84.5 | Confident | 80.4 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 32% | 0.316 | 37% | 0.372 | S | S | . | . | trans | -77.2 | 144.7 | -171.7 | -62.7 | -12.3 | 0 | 0 | 0 | 111.9 | Y59 I69 L70 | Y59-D73 HydrophobicContact CD2-CB 4.03Å; Y59-D73 WeakPolarHBondContact CD2-O 3.4Å; Y59-D73 HydrophobicContact CE2-CB 3.92Å; I69-D73 WeakPolarHBondContact CA-OD2 3.46Å; I69-D73 HydrophobicContact CG2-CB 4.29Å; L70-D73 PolarHBondContact N-OD2 3.18Å; L70-D73 PolarHBondContact O-N 2.85Å | ||
| 74 | L | 86.6 | Confident | 81.1 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.152 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.7 | -176.4 | -66.2 | 169.9 | 0 | 0 | 0 | 110.6 | L56 R58 Y106 | L56-L74 HydrophobicContact CD1-CB 4.24Å; L56-L74 HydrophobicContact CD2-CB 4.33Å; L56-L74 HydrophobicContact CD2-CD1 3.58Å; L56-L74 HydrophobicContact CD2-CG 4.45Å; L56-L74 HydrophobicContact CG-CB 4.1Å; L56-L74 HydrophobicContact CG-CD1 4.21Å; R58-L74 HydrophobicContact CB-CD2 4.37Å; R58-L74 HydrophobicContact CG-CD2 3.48Å; R58-L74 VanDerWaalsContact CG-CD2 3.48Å; L74-Y106 HydrophobicContact CD1-CE1 3.66Å; L74-Y106 HydrophobicContact CD1-CE2 4.27Å; L74-Y106 VanDerWaalsContact CD1-CZ 3.49Å; L74-Y106 VanDerWaalsContact CD1-OH 3.24Å; L74-Y106 WeakPolarHBondContact CD1-OH 3.41Å; L74-Y106 HydrophobicContact CG-CE1 4.47Å |
| 75 | K | 87.6 | Confident | 81.9 | Confident | 112 Ų | 112 | 67.6 Ų | 67.6 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.1 | 174.4 | -177.7 | 177.2 | 178.5 | 178.4 | 0 | 109.7 | L56 T57 Y59 | L56-K75 WeakPolarHBondContact CA-O 3.39Å; T57-K75 PolarHBondContact N-O 3.09Å; T57-K75 PolarHBondContact O-N 2.67Å; Y59-K75 HydrophobicContact CE1-CB 4.44Å; Y59-K75 HydrophobicContact CE2-CB 4.5Å |
| 76 | L | 87.9 | Confident | 82.7 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 24% | 0.241 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 124.3 | 167.9 | 179.9 | 63.4 | 0 | 0 | 0 | 109.8 | F26 L56 I93 I95 | F26-L76 HydrophobicContact CD1-CD1 4.1Å; F26-L76 HydrophobicContact CD1-CD2 4.07Å; F26-L76 HydrophobicContact CD2-CD2 4.28Å; F26-L76 HydrophobicContact CE1-CD1 4.3Å; F26-L76 HydrophobicContact CE1-CD2 4Å; F26-L76 HydrophobicContact CE2-CD2 4.22Å; F26-L76 HydrophobicContact CG-CD2 4.21Å; F26-L76 HydrophobicContact CZ-CD2 4.07Å; L56-L76 HydrophobicContact CD1-CB 3.85Å; L56-L76 HydrophobicContact CD1-CD1 3.99Å; L76-I93 HydrophobicContact CD2-CD1 3.84Å; L76-I93 HydrophobicContact CD2-CG2 4.24Å; L76-I95 HydrophobicContact CD1-CD1 4.08Å |
| 77 | T | 87.9 | Confident | 83.5 | Confident | 75 Ų | 75 | 72.9 Ų | 72.9 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110.4 | 171.5 | -54.7 | 0 | 0 | 0 | 0 | 108.6 | G54 V55 | G54-T77 CarbonylContact C-O 3.51Å; G54-T77 WeakPolarHBondContact CA-O 3.36Å; V55-T77 PolarHBondContact N-O 2.87Å; V55-T77 PolarHBondContact O-N 2.96Å |
| 78 | A | 85.8 | Confident | 84.3 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | F26 R53 V83 | F26-A78 HydrophobicContact CE1-CB 3.86Å; F26-A78 HydrophobicContact CZ-CB 4.12Å; R53-A78 WeakPolarHBondContact O-CB 3.48Å; A78-V83 HydrophobicContact CB-CG2 3.63Å |
| 79 | L | 83.3 | Confident | 85.1 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 36% | 0.356 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 141.9 | 173.3 | -70.7 | 176.3 | 0 | 0 | 0 | 110.1 | V11 F15 C81 E82 V83 | V11-L79 HydrophobicContact CB-CD1 4.47Å; V11-L79 HydrophobicContact CG1-CD1 3.54Å; F15-L79 HydrophobicContact CE2-CD1 3.87Å; F15-L79 HydrophobicContact CE2-CG 4.34Å; F15-L79 HydrophobicContact CZ-CD1 3.93Å; F15-L79 HydrophobicContact CZ-CG 4.41Å; L79-C81 PolarHBondContact O-N 3.34Å; L79-C81 VanDerWaalsContact O-N 3.11Å; L79-E82 HydrophobicContact CB-CB 4.21Å; L79-E82 HydrophobicContact CB-CG 3.86Å; L79-E82 HydrophobicContact CD1-CG 4.34Å; L79-E82 PolarHBondContact O-N 2.77Å; L79-V83 WeakPolarHBondContact O-CG2 3.3Å; L79-V83 PolarHBondContact O-N 3.28Å |
| 80 | V | 84.2 | Confident | 85.6 | Confident | 133 Ų | 133 | 74 Ų | 74 | 81% | 0.806 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59 | -28.6 | -179.8 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | E82 | V80-E82 VanDerWaalsContact C-N 3.35Å |
| 81 | C | 82.9 | Confident | 86.4 | Confident | 54 Ų | 54 | 71 Ų | 71 | 37% | 0.365 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | -15.5 | 176.1 | 55.6 | 0 | 0 | 0 | 0 | 114.3 | Q8 L79 | Q8-C81 HydrophobicContact CG-CB 4.41Å; L79-C81 PolarHBondContact O-N 3.34Å; L79-C81 VanDerWaalsContact O-N 3.11Å |
| 82 | E | 87.4 | Confident | 87.2 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 15% | 0.15 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -4.9 | -178 | -66.8 | -61 | 137.1 | 0 | 0 | 112.6 | G52 R53 L79 V80 | G52-E82 WeakPolarHBondContact CA-O 3.21Å; R53-E82 IonicContact CZ-OE2 2.61Å; R53-E82 VanDerWaalsContact CZ-OE2 3.24Å; R53-E82 PolarHBondContact N-O 2.85Å; R53-E82 IonicContact NE-OE2 2.82Å; R53-E82 PolarHBondContact NE-OE2 3.2Å; R53-E82 IonicContact NH2-OE1 3.06Å; R53-E82 IonicContact NH2-OE2 3.23Å; R53-E82 PolarHBondContact NH2-OE2 2.82Å; L79-E82 HydrophobicContact CB-CB 4.21Å; L79-E82 HydrophobicContact CB-CG 3.86Å; L79-E82 HydrophobicContact CD1-CG 4.34Å; L79-E82 PolarHBondContact O-N 2.77Å; V80-E82 VanDerWaalsContact C-N 3.35Å |
| 83 | V | 91.7 | Very high | 87.8 | Confident | 24 Ų | 24 | 65.6 Ų | 65.6 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.1 | -179.7 | -156.4 | 0 | 0 | 0 | 0 | 110.2 | F26 Y50 T51 A78 L79 D85 P87 | F26-V83 HydrophobicContact CE1-CG2 4.42Å; F26-V83 HydrophobicContact CE2-CG1 4.09Å; F26-V83 HydrophobicContact CZ-CB 4.47Å; F26-V83 HydrophobicContact CZ-CG1 3.76Å; F26-V83 HydrophobicContact CZ-CG2 3.81Å; Y50-V83 HydrophobicContact CD2-CG1 3.84Å; Y50-V83 HydrophobicContact CE2-CG1 4.28Å; T51-V83 WeakPolarHBondContact O-CA 3.48Å; A78-V83 HydrophobicContact CB-CG2 3.63Å; L79-V83 WeakPolarHBondContact O-CG2 3.3Å; L79-V83 PolarHBondContact O-N 3.28Å; V83-D85 VanDerWaalsContact C-N 3.31Å; V83-D85 WeakPolarHBondContact CG1-O 3.11Å; V83-P87 HydrophobicContact CG1-CG 4.43Å |
| 84 | T | 91.9 | Very high | 88.2 | Confident | 103 Ų | 103 | 64.6 Ų | 64.6 | 63% | 0.632 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -75.9 | -19.7 | -179.7 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | Y50 T51 | Y50-T84 WeakPolarHBondContact CA-OG1 3.16Å; Y50-T84 VanDerWaalsContact CB-OG1 3.26Å; Y50-T84 WeakPolarHBondContact CB-OG1 3.43Å; T51-T84 PolarHBondContact N-OG1 2.78Å; T51-T84 PolarHBondContact O-N 3.4Å; T51-T84 PolarHBondContact O-OG1 3.45Å |
| 85 | D | 91 | Very high | 88.5 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 35% | 0.353 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -149.1 | 158.3 | 173.5 | -159.7 | -0.9 | 0 | 0 | 0 | 110.7 | Y30 Y50 V83 P87 | Y30-D85 PolarHBondContact OH-OD2 3.14Å; Y30-D85 VanDerWaalsContact OH-OD2 3.12Å; Y50-D85 HydrophobicContact CD1-CB 4.17Å; Y50-D85 HydrophobicContact CD2-CB 4.47Å; Y50-D85 HydrophobicContact CG-CB 3.85Å; V83-D85 VanDerWaalsContact C-N 3.31Å; V83-D85 WeakPolarHBondContact CG1-O 3.11Å; D85-P87 WeakPolarHBondContact O-CD 3.33Å |
| 86 | K | 88.6 | Confident | 88.5 | Confident | 167 Ų | 167 | 64.2 Ų | 64.2 | 73% | 0.726 | 35% | 0.353 | S | S | * | . | trans | -74.8 | 122.3 | -177.1 | -178.3 | 178.3 | 174.4 | -178.2 | 0 | 110.6 | A88 | K86-A88 PolarHBondContact O-N 2.82Š| ||
| 87 | P | 88.6 | Confident | 88.4 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | trans | -61.1 | 131 | 167.5 | -17.8 | 30.5 | 0 | 0 | 0 | 110.5 | Y50 V83 D85 I93 | Y50-P87 HydrophobicContact CE2-CB 4.35Å; Y50-P87 HydrophobicContact CE2-CG 4.01Å; Y50-P87 WeakPolarHBondContact OH-CA 3.49Å; V83-P87 HydrophobicContact CG1-CG 4.43Å; D85-P87 WeakPolarHBondContact O-CD 3.33Å; P87-I93 HydrophobicContact CB-CD1 4.46Å | ||
| 88 | A | 85.7 | Confident | 87.8 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | trans | -131.7 | 170.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | K86 H91 A108 | K86-A88 PolarHBondContact O-N 2.82Å; A88-H91 PolarHBondContact N-ND1 2.86Å; A88-H91 VanDerWaalsContact O-CB 3.31Å; A88-H91 WeakPolarHBondContact O-CB 3.18Å; A88-H91 PolarHBondContact O-N 2.97Å; A88-A108 VanDerWaalsContact O-CB 3.23Å; A88-A108 WeakPolarHBondContact O-CB 3.37Å | ||
| 89 | V | 85.3 | Confident | 87.5 | Confident | 59 Ų | 59 | 65 Ų | 65 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 143.9 | 177 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | H91 A108 D110 | V89-H91 PolarHBondContact O-N 2.61Å; V89-A108 CarbonylContact C-O 3.48Å; V89-A108 WeakPolarHBondContact CA-O 3.39Å; V89-D110 HydrophobicContact CG2-CB 3.57Å |
| 90 | D | 83.7 | Confident | 87.3 | Confident | 114 Ų | 114 | 64 Ų | 64 | 61% | 0.61 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 0.2 | -178.4 | -47.2 | -36.8 | 0 | 0 | 0 | 115.2 | A108 | D90-A108 PolarHBondContact N-O 2.84Š|
| 91 | H | 93.3 | Very high | 87.2 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 11% | 0.111 | 36% | 0.355 | C | S | . | . | trans | -71.8 | 140.7 | 171.3 | -68.8 | -164.3 | 0 | 0 | 0 | 110.4 | Y30 Y50 A88 V89 A108 | Y30-H91 AromaticContact CD1-CE1 3.64Å; Y30-H91 AromaticContact CD1-NE2 3.94Å; Y30-H91 AromaticContact CG-CE1 3.86Å; Y30-H91 AromaticContact CG-NE2 3.66Å; Y50-H91 AromaticContact CE1-ND1 3.38Å; Y50-H91 WeakPolarHBondContact CE1-ND1 3.13Å; Y50-H91 AromaticContact CZ-ND1 3.58Å; Y50-H91 WeakPolarHBondContact OH-CB 3.33Å; Y50-H91 PolarHBondContact OH-ND1 2.78Å; Y50-H91 VanDerWaalsContact OH-ND1 3.08Å; A88-H91 PolarHBondContact N-ND1 2.86Å; A88-H91 VanDerWaalsContact O-CB 3.31Å; A88-H91 WeakPolarHBondContact O-CB 3.18Å; A88-H91 PolarHBondContact O-N 2.97Å; V89-H91 PolarHBondContact O-N 2.61Å; H91-A108 HydrophobicContact CB-CB 4.46Å; H91-A108 PolarHBondContact O-N 3.44Å | ||
| 92 | I | 92.3 | Very high | 87.4 | Confident | 72 Ų | 72 | 71.5 Ų | 71.5 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.4 | 175.1 | -59.1 | 174.1 | 0 | 0 | 0 | 108.5 | G28 S29 R105 Y106 | G28-I92 CarbonylContact C-O 3.6Å; G28-I92 VanDerWaalsContact CA-O 3.24Å; G28-I92 WeakPolarHBondContact CA-O 3.28Å; S29-I92 PolarHBondContact N-O 2.91Å; S29-I92 PolarHBondContact O-N 3.47Å; I92-R105 HydrophobicContact CG2-CB 4.16Å; I92-R105 HydrophobicContact CG2-CG 4.35Å; I92-Y106 CarbonylContact C-O 3.59Å; I92-Y106 WeakPolarHBondContact CA-O 3.25Å |
| 93 | I | 92.9 | Very high | 87.5 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 7% | 0.072 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.6 | 177.1 | -56.9 | -179.7 | 0 | 0 | 0 | 109.2 | F26 L76 P87 Y106 A108 | F26-I93 HydrophobicContact CB-CG2 4.03Å; F26-I93 HydrophobicContact CD2-CG2 3.91Å; F26-I93 HydrophobicContact CG-CG2 4.23Å; L76-I93 HydrophobicContact CD2-CD1 3.84Å; L76-I93 HydrophobicContact CD2-CG2 4.24Å; P87-I93 HydrophobicContact CB-CD1 4.46Å; I93-Y106 PolarHBondContact N-O 3.39Å; I93-Y106 PolarHBondContact O-N 2.87Å; I93-A108 HydrophobicContact CD1-CB 4.15Å |
| 94 | E | 93.2 | Very high | 87.4 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.6 | 169.9 | -47.1 | -161.9 | 150.3 | 0 | 0 | 109.5 | F26 S27 L103 Q104 R105 | F26-E94 VanDerWaalsContact CA-O 3.31Å; F26-E94 WeakPolarHBondContact CA-O 3.46Å; S27-E94 PolarHBondContact N-O 2.89Å; S27-E94 PolarHBondContact O-N 2.73Å; E94-L103 HydrophobicContact CB-CD1 4.08Å; E94-L103 HydrophobicContact CB-CG 4.38Å; E94-Q104 WeakPolarHBondContact CA-O 3.22Å; E94-R105 HydrophobicContact CG-CG 4.11Å; E94-R105 IonicContact OE1-CZ 2.65Å; E94-R105 IonicContact OE1-NE 2.89Å; E94-R105 PolarHBondContact OE1-NE 3.46Å; E94-R105 IonicContact OE1-NH2 2.77Å; E94-R105 PolarHBondContact OE1-NH2 2.77Å |
| 95 | I | 92.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 154 | 178.4 | -166.5 | 170.6 | 0 | 0 | 0 | 110.1 | F26 L56 L76 D97 Q104 Y106 | F26-I95 HydrophobicContact CB-CB 3.89Å; F26-I95 HydrophobicContact CB-CD1 3.87Å; F26-I95 HydrophobicContact CB-CG1 3.95Å; L56-I95 HydrophobicContact CB-CD1 4.28Å; L56-I95 HydrophobicContact CD1-CD1 4.12Å; L56-I95 HydrophobicContact CD1-CG2 4.29Å; L56-I95 HydrophobicContact CD2-CD1 4.3Å; L56-I95 HydrophobicContact CD2-CG2 3.76Å; L56-I95 HydrophobicContact CG-CD1 4.48Å; L76-I95 HydrophobicContact CD1-CD1 4.08Å; I95-D97 PolarHBondContact O-N 2.9Å; I95-Q104 PolarHBondContact N-O 2.84Å; I95-Q104 VanDerWaalsContact N-O 3.09Å; I95-Q104 PolarHBondContact O-N 2.85Å; I95-Y106 HydrophobicContact CG2-CD2 3.79Å; I95-Y106 HydrophobicContact CG2-CE2 3.75Å |
| 96 | Y | 88.3 | Confident | 87.3 | Confident | 133 Ų | 133 | 80 Ų | 80 | 52% | 0.522 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 123.1 | 170.5 | -68.3 | -82.1 | 0 | 0 | 0 | 110.4 | Q102 L103 | Y96-Q102 WeakPolarHBondContact CA-O 3.28Å; Y96-L103 HydrophobicContact CE1-CB 4.36Å |
| 97 | D | 84.9 | Confident | 87.3 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 8% | 0.08 | 39% | 0.386 | C | S | . | . | trans | -67.3 | 130.6 | 173.1 | 167.5 | 47.3 | 0 | 0 | 0 | 110.2 | I95 V99 S100 R101 Q102 Q104 Y106 | I95-D97 PolarHBondContact O-N 2.9Å; D97-V99 PolarHBondContact O-N 2.81Å; D97-S100 VanDerWaalsContact CB-OG 3.3Å; D97-S100 WeakPolarHBondContact CB-OG 3.47Å; D97-S100 VanDerWaalsContact OD2-CB 3.29Å; D97-S100 WeakPolarHBondContact OD2-CB 3.39Å; D97-S100 PolarHBondContact OD2-N 2.67Å; D97-S100 PolarHBondContact OD2-OG 2.99Å; D97-R101 VanDerWaalsContact O-CA 3.29Å; D97-R101 WeakPolarHBondContact O-CA 3.5Å; D97-R101 PolarHBondContact O-N 2.98Å; D97-Q102 PolarHBondContact N-O 3.01Å; D97-Q104 HydrophobicContact CB-CG 4.15Å; D97-Y106 WeakPolarHBondContact CB-OH 3.16Å | ||
| 98 | P | 77.1 | Confident | 87.1 | Confident | 66 Ų | 66 | 77.5 Ų | 77.5 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.3 | -175.1 | 21 | -35.6 | 0 | 0 | 0 | 114.2 | L56 | L56-P98 HydrophobicContact CD2-CG 4.43Š|
| 99 | V | 77.8 | Confident | 86.8 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 56% | 0.558 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -49.9 | -178.4 | 177.5 | 0 | 0 | 0 | 0 | 112.7 | D97 R101 | D97-V99 PolarHBondContact O-N 2.81Å; V99-R101 VanDerWaalsContact C-N 3.34Å |
| 100 | S | 80.7 | Confident | 86.2 | Confident | 48 Ų | 48 | 86.7 Ų | 86.7 | 34% | 0.336 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -18.9 | 179.3 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | D97 Q102 Q104 | D97-S100 VanDerWaalsContact CB-OG 3.3Å; D97-S100 WeakPolarHBondContact CB-OG 3.47Å; D97-S100 VanDerWaalsContact OD2-CB 3.29Å; D97-S100 WeakPolarHBondContact OD2-CB 3.39Å; D97-S100 PolarHBondContact OD2-N 2.67Å; D97-S100 PolarHBondContact OD2-OG 2.99Å; S100-Q102 PolarHBondContact O-N 2.87Å; S100-Q102 VanDerWaalsContact O-N 3.11Å; S100-Q104 PolarHBondContact OG-NE2 3.23Å |
| 101 | R | 81.8 | Confident | 85.3 | Confident | 210 Ų | 210 | 83 Ų | 83 | 79% | 0.792 | 39% | 0.387 | S | S | * | . | trans | 52.2 | 25 | -170.8 | -60.8 | -175 | 176 | -176 | -3.7 | 113.2 | D97 V99 | D97-R101 VanDerWaalsContact O-CA 3.29Å; D97-R101 WeakPolarHBondContact O-CA 3.5Å; D97-R101 PolarHBondContact O-N 2.98Å; V99-R101 VanDerWaalsContact C-N 3.34Å | ||
| 102 | Q | 87.2 | Confident | 83.9 | Confident | 134 Ų | 134 | 88.1 Ų | 88.1 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -103.7 | 146.1 | 173.7 | -65 | -166.4 | -55.3 | 0 | 0 | 109.5 | Y96 D97 S100 Q104 | Y96-Q102 WeakPolarHBondContact CA-O 3.28Å; D97-Q102 PolarHBondContact N-O 3.01Å; S100-Q102 PolarHBondContact O-N 2.87Å; S100-Q102 VanDerWaalsContact O-N 3.11Å; Q102-Q104 PolarHBondContact O-N 2.82Å |
| 103 | L | 89.3 | Confident | 82.3 | Confident | 96 Ų | 96 | 89.4 Ų | 89.4 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 120.1 | 171.7 | -172.2 | 71.4 | 0 | 0 | 0 | 108.5 | E94 Y96 | E94-L103 HydrophobicContact CB-CD1 4.08Å; E94-L103 HydrophobicContact CB-CG 4.38Å; Y96-L103 HydrophobicContact CE1-CB 4.36Å |
| 104 | Q | 89.5 | Confident | 81 | Confident | 69 Ų | 69 | 92.1 Ų | 92.1 | 32% | 0.322 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 152 | 179.1 | -69.8 | -166.1 | 28.7 | 0 | 0 | 110.8 | E94 I95 D97 S100 Q102 Y106 | E94-Q104 WeakPolarHBondContact CA-O 3.22Å; I95-Q104 PolarHBondContact N-O 2.84Å; I95-Q104 VanDerWaalsContact N-O 3.09Å; I95-Q104 PolarHBondContact O-N 2.85Å; D97-Q104 HydrophobicContact CB-CG 4.15Å; S100-Q104 PolarHBondContact OG-NE2 3.23Å; Q102-Q104 PolarHBondContact O-N 2.82Å; Q104-Y106 HydrophobicContact CB-CD2 4.4Å; Q104-Y106 HydrophobicContact CB-CE2 3.59Å; Q104-Y106 PolarHBondContact OE1-OH 3.43Å |
| 105 | R | 90.7 | Very high | 79.6 | Confident | 187 Ų | 187 | 95.2 Ų | 95.2 | 71% | 0.706 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.8 | 176.6 | -65.9 | -176.2 | 167.5 | -175.6 | -7.7 | 109.4 | I92 E94 | I92-R105 HydrophobicContact CG2-CB 4.16Å; I92-R105 HydrophobicContact CG2-CG 4.35Å; E94-R105 HydrophobicContact CG-CG 4.11Å; E94-R105 IonicContact OE1-CZ 2.65Å; E94-R105 IonicContact OE1-NE 2.89Å; E94-R105 PolarHBondContact OE1-NE 3.46Å; E94-R105 IonicContact OE1-NH2 2.77Å; E94-R105 PolarHBondContact OE1-NH2 2.77Å |
| 106 | Y | 90.1 | Very high | 78.1 | Confident | 50 Ų | 50 | 96.1 Ų | 96.1 | 20% | 0.196 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 142.3 | 175.5 | -61.3 | -83.4 | 0 | 0 | 0 | 109.9 | L74 I92 I93 I95 D97 Q104 | L74-Y106 HydrophobicContact CD1-CE1 3.66Å; L74-Y106 HydrophobicContact CD1-CE2 4.27Å; L74-Y106 VanDerWaalsContact CD1-CZ 3.49Å; L74-Y106 VanDerWaalsContact CD1-OH 3.24Å; L74-Y106 WeakPolarHBondContact CD1-OH 3.41Å; L74-Y106 HydrophobicContact CG-CE1 4.47Å; I92-Y106 CarbonylContact C-O 3.59Å; I92-Y106 WeakPolarHBondContact CA-O 3.25Å; I93-Y106 PolarHBondContact N-O 3.39Å; I93-Y106 PolarHBondContact O-N 2.87Å; I95-Y106 HydrophobicContact CG2-CD2 3.79Å; I95-Y106 HydrophobicContact CG2-CE2 3.75Å; D97-Y106 WeakPolarHBondContact CB-OH 3.16Å; Q104-Y106 HydrophobicContact CB-CD2 4.4Å; Q104-Y106 HydrophobicContact CB-CE2 3.59Å; Q104-Y106 PolarHBondContact OE1-OH 3.43Å |
| 107 | E | 88.5 | Confident | 77.1 | Confident | 142 Ų | 142 | 92.7 Ų | 92.7 | 66% | 0.664 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.5 | 170.6 | -173.2 | 173.4 | -177.3 | 0 | 0 | 108.9 | ||
| 108 | A | 85 | Confident | 76.4 | Confident | 20 Ų | 20 | 94.4 Ų | 94.4 | 17% | 0.165 | 49% | 0.485 | C | S | . | . | trans | -76.6 | 129.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A88 V89 D90 H91 I93 | A88-A108 VanDerWaalsContact O-CB 3.23Å; A88-A108 WeakPolarHBondContact O-CB 3.37Å; V89-A108 CarbonylContact C-O 3.48Å; V89-A108 WeakPolarHBondContact CA-O 3.39Å; D90-A108 PolarHBondContact N-O 2.84Å; H91-A108 HydrophobicContact CB-CB 4.46Å; H91-A108 PolarHBondContact O-N 3.44Å; I93-A108 HydrophobicContact CD1-CB 4.15Å | ||
| 109 | W | 79.3 | Confident | 76.3 | Confident | 178 Ų | 178 | 94.4 Ų | 94.4 | 67% | 0.674 | 48% | 0.48 | S | S | * | . | trans | -136.1 | 147.2 | 174.5 | -169.1 | 38.4 | 0 | 0 | 0 | 110.7 | I111 | W109-I111 HydrophobicContact CD2-CG1 4.46Å; W109-I111 HydrophobicContact CE3-CD1 4.34Å; W109-I111 HydrophobicContact CE3-CG1 4.2Å; W109-I111 HydrophobicContact CH2-CG1 4.43Å; W109-I111 HydrophobicContact CZ3-CD1 4.13Å; W109-I111 HydrophobicContact CZ3-CG1 4.19Å | ||
| 110 | D | 71.8 | Confident | 76.1 | Confident | 117 Ų | 117 | 94.1 Ų | 94.1 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | trans | -115 | 121 | -178.5 | -169.4 | 11.9 | 0 | 0 | 0 | 109.1 | V89 | V89-D110 HydrophobicContact CG2-CB 3.57Š| ||
| 111 | I | 65.8 | Low | 75.8 | Confident | 37 Ų | 37 | 99.1 Ų | 99.1 | 19% | 0.19 | 49% | 0.493 | C | S | . | . | trans | -106.1 | 119.7 | 171.2 | -57.7 | 168.9 | 0 | 0 | 0 | 107.4 | N68 I69 W109 I115 F116 | N68-I111 HydrophobicContact CB-CD1 4.13Å; N68-I111 VanDerWaalsContact O-CD1 3.31Å; N68-I111 WeakPolarHBondContact O-CD1 3.36Å; I69-I111 HydrophobicContact CG1-CD1 4.43Å; W109-I111 HydrophobicContact CD2-CG1 4.46Å; W109-I111 HydrophobicContact CE3-CD1 4.34Å; W109-I111 HydrophobicContact CE3-CG1 4.2Å; W109-I111 HydrophobicContact CH2-CG1 4.43Å; W109-I111 HydrophobicContact CZ3-CD1 4.13Å; W109-I111 HydrophobicContact CZ3-CG1 4.19Å; I111-I115 HydrophobicContact CG2-CB 4.48Å; I111-I115 HydrophobicContact CG2-CD1 4.18Å; I111-F116 HydrophobicContact CB-CE2 4.13Å; I111-F116 HydrophobicContact CB-CZ 4.05Å; I111-F116 HydrophobicContact CD1-CZ 4.31Å; I111-F116 HydrophobicContact CG2-CE2 3.61Å; I111-F116 HydrophobicContact CG2-CZ 3.55Å | ||
| 112 | E | 64.1 | Low | 75.5 | Confident | 131 Ų | 131 | 95.4 Ų | 95.4 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | trans | -60.6 | 129.2 | -179.2 | -157.5 | 177.7 | -157.2 | 0 | 0 | 110.9 | S114 I115 | E112-S114 WeakPolarHBondContact CG-OG 3.28Å; E112-S114 PolarHBondContact O-N 3.28Å; E112-S114 PolarHBondContact OE2-OG 2.9Å; E112-I115 PolarHBondContact O-N 2.85Å; E112-I115 VanDerWaalsContact O-N 3.09Å | ||
| 113 | P | 57.7 | Low | 75.1 | Confident | 100 Ų | 100 | 92.5 Ų | 92.5 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -56.2 | -24.9 | -176.2 | -28.8 | 34.8 | 0 | 0 | 0 | 115 | I115 F116 | P113-I115 PolarHBondContact O-N 3.07Å; P113-F116 PolarHBondContact O-N 3.13Å; P113-F116 VanDerWaalsContact O-N 3.16Å |
| 114 | S | 64.5 | Low | 74.8 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 49% | 0.49 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -58.1 | -32.6 | 177.9 | 48.3 | 0 | 0 | 0 | 0 | 112.8 | E112 F116 A117 | E112-S114 WeakPolarHBondContact CG-OG 3.28Å; E112-S114 PolarHBondContact O-N 3.28Å; E112-S114 PolarHBondContact OE2-OG 2.9Å; S114-F116 PolarHBondContact O-N 2.78Å; S114-A117 WeakPolarHBondContact O-CB 3.19Å; S114-A117 PolarHBondContact O-N 3.11Å |
| 115 | I | 65.8 | Low | 74.3 | Confident | 103 Ų | 103 | 90 Ų | 90 | 53% | 0.528 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -67.1 | -27.2 | -179.8 | -61.3 | 174 | 0 | 0 | 0 | 111.1 | I111 E112 P113 | I111-I115 HydrophobicContact CG2-CB 4.48Å; I111-I115 HydrophobicContact CG2-CD1 4.18Å; E112-I115 PolarHBondContact O-N 2.85Å; E112-I115 VanDerWaalsContact O-N 3.09Å; P113-I115 PolarHBondContact O-N 3.07Å |
| 116 | F | 59.1 | Low | 73.7 | Confident | 20 Ų | 20 | 84.2 Ų | 84.2 | 9% | 0.088 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -84.6 | -6.9 | 179 | -55.4 | -75.7 | 0 | 0 | 0 | 114.1 | I69 I111 P113 S114 G118 M119 I120 | I69-F116 HydrophobicContact CD1-CE1 4.3Å; I69-F116 HydrophobicContact CD1-CZ 4.49Å; I111-F116 HydrophobicContact CB-CE2 4.13Å; I111-F116 HydrophobicContact CB-CZ 4.05Å; I111-F116 HydrophobicContact CD1-CZ 4.31Å; I111-F116 HydrophobicContact CG2-CE2 3.61Å; I111-F116 HydrophobicContact CG2-CZ 3.55Å; P113-F116 PolarHBondContact O-N 3.13Å; P113-F116 VanDerWaalsContact O-N 3.16Å; S114-F116 PolarHBondContact O-N 2.78Å; F116-G118 VanDerWaalsContact C-N 3.32Å; F116-G118 PolarHBondContact O-N 2.78Å; F116-M119 HydrophobicContact CD1-SD 4.28Å; F116-M119 PolarHBondContact O-N 2.73Å; F116-M119 VanDerWaalsContact O-N 3.14Å; F116-I120 HydrophobicContact CB-CD1 3.76Å; F116-I120 HydrophobicContact CB-CG1 4.11Å; F116-I120 WeakPolarHBondContact O-CB 3.38Å; F116-I120 WeakPolarHBondContact O-CG1 3.39Å; F116-I120 PolarHBondContact O-N 3.42Å |
| 117 | A | 68.7 | Low | 73.4 | Confident | 62 Ų | 62 | 87.9 Ų | 87.9 | 51% | 0.512 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.9 | -45.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | S114 I120 E121 | S114-A117 WeakPolarHBondContact O-CB 3.19Å; S114-A117 PolarHBondContact O-N 3.11Å; A117-I120 PolarHBondContact O-N 3.41Å; A117-E121 PolarHBondContact O-N 3.37Å; A117-E121 VanDerWaalsContact O-N 3.12Å |
| 118 | G | 70.7 | Confident | 73.2 | Confident | 50 Ų | 50 | 83.5 Ų | 83.5 | 52% | 0.515 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F116 E121 E122 | F116-G118 VanDerWaalsContact C-N 3.32Å; F116-G118 PolarHBondContact O-N 2.78Å; G118-E121 PolarHBondContact O-N 3.25Å; G118-E122 PolarHBondContact O-N 3.38Å |
| 119 | M | 73.7 | Confident | 72.9 | Confident | 67 Ų | 67 | 90 Ų | 90 | 33% | 0.33 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 177.7 | -67.9 | 177.7 | 70.9 | 0 | 0 | 112.3 | F116 E121 E122 D123 | F116-M119 HydrophobicContact CD1-SD 4.28Å; F116-M119 PolarHBondContact O-N 2.73Å; F116-M119 VanDerWaalsContact O-N 3.14Å; M119-E121 VanDerWaalsContact C-N 3.34Å; M119-E122 PolarHBondContact O-N 3.27Å; M119-D123 WeakPolarHBondContact O-CB 3.48Å; M119-D123 PolarHBondContact O-N 2.86Å |
| 120 | I | 74 | Confident | 72.9 | Confident | 86 Ų | 86 | 87 Ų | 87 | 44% | 0.441 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 178.9 | -69.7 | 164.9 | 0 | 0 | 0 | 110.1 | F116 A117 D123 V124 | F116-I120 HydrophobicContact CB-CD1 3.76Å; F116-I120 HydrophobicContact CB-CG1 4.11Å; F116-I120 WeakPolarHBondContact O-CB 3.38Å; F116-I120 WeakPolarHBondContact O-CG1 3.39Å; F116-I120 PolarHBondContact O-N 3.42Å; A117-I120 PolarHBondContact O-N 3.41Å; I120-D123 PolarHBondContact O-N 2.81Å; I120-V124 HydrophobicContact CG2-CG2 4.07Å; I120-V124 VanDerWaalsContact O-CB 3.27Å; I120-V124 WeakPolarHBondContact O-CB 3.34Å; I120-V124 WeakPolarHBondContact O-CG2 3.37Å; I120-V124 PolarHBondContact O-N 3.06Å |
| 121 | E | 74.1 | Confident | 73.4 | Confident | 153 Ų | 153 | 84.6 Ų | 84.6 | 72% | 0.715 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.7 | -43.6 | 177.8 | -170.6 | 171.2 | -166.5 | 0 | 0 | 111.5 | A117 G118 M119 G125 | A117-E121 PolarHBondContact O-N 3.37Å; A117-E121 VanDerWaalsContact O-N 3.12Å; G118-E121 PolarHBondContact O-N 3.25Å; M119-E121 VanDerWaalsContact C-N 3.34Å; E121-G125 PolarHBondContact O-N 3.5Å |
| 122 | E | 76.5 | Confident | 74.1 | Confident | 132 Ų | 132 | 84 Ų | 84 | 62% | 0.617 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63 | -48.6 | 174.8 | -173 | 177 | -176.5 | 0 | 0 | 112 | G118 M119 V124 G125 L126 | G118-E122 PolarHBondContact O-N 3.38Å; M119-E122 PolarHBondContact O-N 3.27Å; E122-V124 PolarHBondContact O-N 3.05Å; E122-G125 PolarHBondContact O-N 2.93Å; E122-G125 VanDerWaalsContact O-N 3.16Å; E122-L126 HydrophobicContact CG-CD1 4.27Å; E122-L126 WeakPolarHBondContact O-CG 3.26Å; E122-L126 PolarHBondContact O-N 2.95Å |
| 123 | D | 77.5 | Confident | 74.9 | Confident | 73 Ų | 73 | 82.5 Ų | 82.5 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 179.4 | -92.1 | -8.5 | 0 | 0 | 0 | 112.4 | M119 I120 G125 L126 K127 | M119-D123 WeakPolarHBondContact O-CB 3.48Å; M119-D123 PolarHBondContact O-N 2.86Å; I120-D123 PolarHBondContact O-N 2.81Å; D123-G125 VanDerWaalsContact C-N 3.34Å; D123-L126 PolarHBondContact O-N 2.94Å; D123-K127 VanDerWaalsContact O-CB 3.31Å; D123-K127 WeakPolarHBondContact O-CB 3.26Å; D123-K127 PolarHBondContact O-N 2.76Å |
| 124 | V | 83.9 | Confident | 76 | Confident | 72 Ų | 72 | 82.9 Ų | 82.9 | 44% | 0.436 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 109.6 | I120 E122 L126 K127 I128 | I120-V124 HydrophobicContact CG2-CG2 4.07Å; I120-V124 VanDerWaalsContact O-CB 3.27Å; I120-V124 WeakPolarHBondContact O-CB 3.34Å; I120-V124 WeakPolarHBondContact O-CG2 3.37Å; I120-V124 PolarHBondContact O-N 3.06Å; E122-V124 PolarHBondContact O-N 3.05Å; V124-L126 PolarHBondContact O-N 3.35Å; V124-K127 PolarHBondContact O-N 2.88Å; V124-I128 HydrophobicContact CG1-CD1 3.8Å; V124-I128 HydrophobicContact CG1-CG1 4.42Å; V124-I128 VanDerWaalsContact O-CG1 3.27Å; V124-I128 WeakPolarHBondContact O-CG1 3.25Å; V124-I128 PolarHBondContact O-N 2.98Å |
| 125 | G | 79.3 | Confident | 77 | Confident | 39 Ų | 39 | 82.6 Ų | 82.6 | 40% | 0.402 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E121 E122 D123 K127 I128 R129 | E121-G125 PolarHBondContact O-N 3.5Å; E122-G125 PolarHBondContact O-N 2.93Å; E122-G125 VanDerWaalsContact O-N 3.16Å; D123-G125 VanDerWaalsContact C-N 3.34Å; G125-K127 VanDerWaalsContact C-N 3.34Å; G125-K127 PolarHBondContact O-N 2.96Å; G125-I128 PolarHBondContact O-N 3.3Å; G125-R129 PolarHBondContact O-N 2.76Å |
| 126 | L | 77.5 | Confident | 77.7 | Confident | 66 Ų | 66 | 80 Ų | 80 | 35% | 0.346 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 176.1 | -71.7 | 172.7 | 0 | 0 | 0 | 112.1 | E122 D123 V124 R129 Y130 | E122-L126 HydrophobicContact CG-CD1 4.27Å; E122-L126 WeakPolarHBondContact O-CG 3.26Å; E122-L126 PolarHBondContact O-N 2.95Å; D123-L126 PolarHBondContact O-N 2.94Å; V124-L126 PolarHBondContact O-N 3.35Å; L126-R129 VanDerWaalsContact CD2-NH2 3.32Å; L126-R129 PolarHBondContact O-N 2.89Å; L126-Y130 WeakPolarHBondContact O-CB 3.33Å; L126-Y130 PolarHBondContact O-N 2.92Å |
| 127 | K | 83.5 | Confident | 78.7 | Confident | 128 Ų | 128 | 82.5 Ų | 82.5 | 56% | 0.557 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -68.9 | -42.1 | 179.2 | -165.6 | 68.1 | 175.5 | -178.3 | 0 | 111.8 | D123 V124 G125 R129 Y130 I131 | D123-K127 VanDerWaalsContact O-CB 3.31Å; D123-K127 WeakPolarHBondContact O-CB 3.26Å; D123-K127 PolarHBondContact O-N 2.76Å; V124-K127 PolarHBondContact O-N 2.88Å; G125-K127 VanDerWaalsContact C-N 3.34Å; G125-K127 PolarHBondContact O-N 2.96Å; K127-R129 VanDerWaalsContact C-N 3.31Å; K127-R129 PolarHBondContact O-N 3.07Å; K127-Y130 PolarHBondContact O-N 2.75Å; K127-I131 HydrophobicContact CG-CD1 4.2Å; K127-I131 VanDerWaalsContact O-CG1 3.28Å; K127-I131 WeakPolarHBondContact O-CG1 3.38Å; K127-I131 PolarHBondContact O-N 3.5Å |
| 128 | I | 83.8 | Confident | 79.2 | Confident | 49 Ų | 49 | 82.3 Ų | 82.3 | 25% | 0.251 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 173.5 | -70.1 | 167 | 0 | 0 | 0 | 109.8 | V124 G125 Y130 I131 A132 L158 | V124-I128 HydrophobicContact CG1-CD1 3.8Å; V124-I128 HydrophobicContact CG1-CG1 4.42Å; V124-I128 VanDerWaalsContact O-CG1 3.27Å; V124-I128 WeakPolarHBondContact O-CG1 3.25Å; V124-I128 PolarHBondContact O-N 2.98Å; G125-I128 PolarHBondContact O-N 3.3Å; I128-Y130 PolarHBondContact O-N 2.77Å; I128-I131 PolarHBondContact O-N 2.96Å; I128-A132 WeakPolarHBondContact O-CB 3.47Å; I128-A132 PolarHBondContact O-N 2.94Å; I128-L158 HydrophobicContact CG2-CB 4.31Å; I128-L158 HydrophobicContact CG2-CD1 4.11Å |
| 129 | R | 78.9 | Confident | 79.7 | Confident | 156 Ų | 156 | 82.6 Ų | 82.6 | 59% | 0.589 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.2 | -44.9 | 176.5 | -171.2 | 179.7 | 73.9 | -163.9 | 2.6 | 112.1 | G125 L126 K127 A132 M133 | G125-R129 PolarHBondContact O-N 2.76Å; L126-R129 VanDerWaalsContact CD2-NH2 3.32Å; L126-R129 PolarHBondContact O-N 2.89Å; K127-R129 VanDerWaalsContact C-N 3.31Å; K127-R129 PolarHBondContact O-N 3.07Å; R129-A132 PolarHBondContact O-N 2.72Å; R129-M133 WeakPolarHBondContact O-CG 3.4Å; R129-M133 PolarHBondContact O-N 2.82Å |
| 130 | Y | 81 | Confident | 80 | Confident | 116 Ų | 116 | 80.6 Ų | 80.6 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 178.4 | -175.3 | -96.3 | 0 | 0 | 0 | 112 | L126 K127 I128 M133 Q134 | L126-Y130 WeakPolarHBondContact O-CB 3.33Å; L126-Y130 PolarHBondContact O-N 2.92Å; K127-Y130 PolarHBondContact O-N 2.75Å; I128-Y130 PolarHBondContact O-N 2.77Å; Y130-M133 PolarHBondContact O-N 2.91Å; Y130-Q134 HydrophobicContact CD1-CG 4.19Å; Y130-Q134 HydrophobicContact CE1-CG 3.78Å; Y130-Q134 WeakPolarHBondContact O-CG 3.45Å; Y130-Q134 PolarHBondContact O-N 2.9Å; Y130-Q134 PolarHBondContact OH-NE2 2.92Å |
| 131 | I | 81 | Confident | 80.2 | Confident | 67 Ų | 67 | 83.2 Ų | 83.2 | 34% | 0.344 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63 | -46 | 177 | -65.7 | 166.1 | 0 | 0 | 0 | 110.4 | K127 I128 M133 Q134 I135 L158 | K127-I131 HydrophobicContact CG-CD1 4.2Å; K127-I131 VanDerWaalsContact O-CG1 3.28Å; K127-I131 WeakPolarHBondContact O-CG1 3.38Å; K127-I131 PolarHBondContact O-N 3.5Å; I128-I131 PolarHBondContact O-N 2.96Å; I131-M133 VanDerWaalsContact C-N 3.32Å; I131-M133 PolarHBondContact O-N 2.87Å; I131-Q134 PolarHBondContact O-N 3.43Å; I131-I135 HydrophobicContact CG2-CD1 3.82Å; I131-I135 HydrophobicContact CG2-CG1 4.4Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 2.91Å; I131-L158 HydrophobicContact CB-CD1 3.94Å; I131-L158 HydrophobicContact CG2-CD1 3.68Å |
| 132 | A | 81 | Confident | 80.5 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 20% | 0.198 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I128 R129 I135 L136 L158 | I128-A132 WeakPolarHBondContact O-CB 3.47Å; I128-A132 PolarHBondContact O-N 2.94Å; R129-A132 PolarHBondContact O-N 2.72Å; A132-I135 PolarHBondContact O-N 3.06Å; A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 2.89Å; A132-L158 HydrophobicContact CB-CD1 4.11Å |
| 133 | M | 80 | Confident | 80.5 | Confident | 100 Ų | 100 | 74.4 Ų | 74.4 | 49% | 0.493 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 175.5 | -72.2 | -160.3 | -52.2 | 0 | 0 | 112.8 | R129 Y130 I131 L136 T137 | R129-M133 WeakPolarHBondContact O-CG 3.4Å; R129-M133 PolarHBondContact O-N 2.82Å; Y130-M133 PolarHBondContact O-N 2.91Å; I131-M133 VanDerWaalsContact C-N 3.32Å; I131-M133 PolarHBondContact O-N 2.87Å; M133-L136 PolarHBondContact O-N 2.78Å; M133-T137 WeakPolarHBondContact O-CB 3.46Å; M133-T137 PolarHBondContact O-N 2.89Å; M133-T137 PolarHBondContact O-OG1 2.85Å |
| 134 | Q | 81.3 | Confident | 80.6 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 51% | 0.505 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 176.9 | -76.7 | -155.3 | -38.2 | 0 | 0 | 112 | Y130 I131 T137 A138 | Y130-Q134 HydrophobicContact CD1-CG 4.19Å; Y130-Q134 HydrophobicContact CE1-CG 3.78Å; Y130-Q134 WeakPolarHBondContact O-CG 3.45Å; Y130-Q134 PolarHBondContact O-N 2.9Å; Y130-Q134 PolarHBondContact OH-NE2 2.92Å; I131-Q134 PolarHBondContact O-N 3.43Å; Q134-T137 PolarHBondContact O-N 2.84Å; Q134-A138 WeakPolarHBondContact O-CB 3.43Å; Q134-A138 PolarHBondContact O-N 3.25Å |
| 135 | I | 85 | Confident | 80.2 | Confident | 64 Ų | 64 | 77 Ų | 77 | 33% | 0.328 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 175.9 | -66.2 | 168.6 | 0 | 0 | 0 | 110.3 | I131 A132 T137 A138 I139 V156 L158 | I131-I135 HydrophobicContact CG2-CD1 3.82Å; I131-I135 HydrophobicContact CG2-CG1 4.4Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 2.91Å; A132-I135 PolarHBondContact O-N 3.06Å; I135-T137 VanDerWaalsContact C-N 3.29Å; I135-T137 PolarHBondContact O-N 3.27Å; I135-A138 PolarHBondContact O-N 3.13Å; I135-I139 HydrophobicContact CG2-CD1 3.82Å; I135-I139 HydrophobicContact CG2-CG1 4.44Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 3.27Å; I135-V156 HydrophobicContact CB-CG1 3.93Å; I135-V156 HydrophobicContact CD1-CG1 4.24Å; I135-V156 HydrophobicContact CG2-CB 4.45Å; I135-V156 HydrophobicContact CG2-CG1 3.65Å; I135-V156 HydrophobicContact CG2-CG2 3.88Å; I135-L158 HydrophobicContact CD1-CD2 4.05Å |
| 136 | L | 80.8 | Confident | 79.4 | Confident | 49 Ų | 49 | 82.5 Ų | 82.5 | 26% | 0.257 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 177.8 | -175.5 | 64.4 | 0 | 0 | 0 | 111.9 | A132 M133 I139 D140 N154 V156 | A132-L136 WeakPolarHBondContact O-CB 3.42Å; A132-L136 PolarHBondContact O-N 2.89Å; M133-L136 PolarHBondContact O-N 2.78Å; L136-I139 PolarHBondContact O-N 2.86Å; L136-D140 WeakPolarHBondContact O-CB 3.42Å; L136-D140 PolarHBondContact O-N 2.64Å; L136-N154 HydrophobicContact CD1-CB 4.11Å; L136-V156 HydrophobicContact CB-CG2 4.21Å; L136-V156 HydrophobicContact CD1-CG2 4.23Å |
| 137 | T | 80.6 | Confident | 78.7 | Confident | 71 Ų | 71 | 82.8 Ų | 82.8 | 44% | 0.436 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | M133 Q134 I135 D140 I141 | M133-T137 WeakPolarHBondContact O-CB 3.46Å; M133-T137 PolarHBondContact O-N 2.89Å; M133-T137 PolarHBondContact O-OG1 2.85Å; Q134-T137 PolarHBondContact O-N 2.84Å; I135-T137 VanDerWaalsContact C-N 3.29Å; I135-T137 PolarHBondContact O-N 3.27Å; T137-D140 PolarHBondContact O-N 3.14Å; T137-I141 HydrophobicContact CG2-CD1 3.96Å; T137-I141 WeakPolarHBondContact O-CG1 3.43Å; T137-I141 PolarHBondContact O-N 3.28Å |
| 138 | A | 79 | Confident | 78 | Confident | 59 Ų | 59 | 79.5 Ų | 79.5 | 49% | 0.488 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q134 I135 D140 I141 A142 | Q134-A138 WeakPolarHBondContact O-CB 3.43Å; Q134-A138 PolarHBondContact O-N 3.25Å; I135-A138 PolarHBondContact O-N 3.13Å; A138-D140 VanDerWaalsContact C-N 3.31Å; A138-D140 PolarHBondContact O-N 3.36Å; A138-I141 PolarHBondContact O-N 3.4Å; A138-A142 WeakPolarHBondContact O-CB 3.47Å; A138-A142 PolarHBondContact O-N 2.97Å; A138-A142 VanDerWaalsContact O-N 3.07Å |
| 139 | I | 82 | Confident | 77.2 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 29% | 0.287 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 174.6 | -71.8 | 166.5 | 0 | 0 | 0 | 110.7 | I135 L136 A142 A143 F150 N154 V156 | I135-I139 HydrophobicContact CG2-CD1 3.82Å; I135-I139 HydrophobicContact CG2-CG1 4.44Å; I135-I139 WeakPolarHBondContact O-CG1 3.44Å; I135-I139 PolarHBondContact O-N 3.27Å; L136-I139 PolarHBondContact O-N 2.86Å; I139-A142 PolarHBondContact O-N 3.48Å; I139-A143 PolarHBondContact O-N 2.71Å; I139-F150 HydrophobicContact CG2-CE1 3.75Å; I139-F150 HydrophobicContact CG2-CZ 4.25Å; I139-N154 HydrophobicContact CG2-CB 4.33Å; I139-V156 HydrophobicContact CD1-CG2 3.72Å |
| 140 | D | 79.7 | Confident | 76.7 | Confident | 25 Ų | 25 | 82.5 Ų | 82.5 | 13% | 0.134 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -66.3 | -44.7 | 178.7 | -169.8 | 44.4 | 0 | 0 | 0 | 112.9 | L136 T137 A138 A142 A143 R151 | L136-D140 WeakPolarHBondContact O-CB 3.42Å; L136-D140 PolarHBondContact O-N 2.64Å; T137-D140 PolarHBondContact O-N 3.14Å; A138-D140 VanDerWaalsContact C-N 3.31Å; A138-D140 PolarHBondContact O-N 3.36Å; D140-A142 VanDerWaalsContact C-N 3.25Å; D140-A142 PolarHBondContact O-N 3.29Å; D140-A143 WeakPolarHBondContact O-CB 3.44Å; D140-A143 PolarHBondContact O-N 2.67Å; D140-R151 HydrophobicContact CB-CG 3.87Å; D140-R151 WeakPolarHBondContact OD1-CG 3.19Å; D140-R151 VanDerWaalsContact OD2-CD 3.28Å; D140-R151 WeakPolarHBondContact OD2-CD 3.49Å; D140-R151 WeakPolarHBondContact OD2-CG 3.35Å; D140-R151 IonicContact OD2-CZ 3.27Å; D140-R151 IonicContact OD2-NE 3.63Å; D140-R151 IonicContact OD2-NH1 3.83Å; D140-R151 PolarHBondContact OD2-NH1 2.95Å |
| 141 | I | 77.7 | Confident | 76.2 | Confident | 140 Ų | 140 | 82.6 Ų | 82.6 | 72% | 0.718 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.9 | -33.2 | 177.2 | -67.6 | 167.7 | 0 | 0 | 0 | 111.4 | T137 A138 A143 | T137-I141 HydrophobicContact CG2-CD1 3.96Å; T137-I141 WeakPolarHBondContact O-CG1 3.43Å; T137-I141 PolarHBondContact O-N 3.28Å; A138-I141 PolarHBondContact O-N 3.4Å; I141-A143 VanDerWaalsContact C-N 3.27Å; I141-A143 PolarHBondContact O-N 2.85Å |
| 142 | A | 79.7 | Confident | 75.6 | Confident | 82 Ų | 82 | 83.2 Ų | 83.2 | 68% | 0.678 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -5.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A138 I139 D140 | A138-A142 WeakPolarHBondContact O-CB 3.47Å; A138-A142 PolarHBondContact O-N 2.97Å; A138-A142 VanDerWaalsContact O-N 3.07Å; I139-A142 PolarHBondContact O-N 3.48Å; D140-A142 VanDerWaalsContact C-N 3.25Å; D140-A142 PolarHBondContact O-N 3.29Å |
| 143 | A | 77.9 | Confident | 75 | Confident | 19 Ų | 19 | 88.5 Ų | 88.5 | 16% | 0.157 | 49% | 0.488 | C | S | . | . | trans | -69.9 | 139.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I139 D140 I141 V145 F150 | I139-A143 PolarHBondContact O-N 2.71Å; D140-A143 WeakPolarHBondContact O-CB 3.44Å; D140-A143 PolarHBondContact O-N 2.67Å; I141-A143 VanDerWaalsContact C-N 3.27Å; I141-A143 PolarHBondContact O-N 2.85Å; A143-V145 PolarHBondContact O-N 2.92Å; A143-F150 HydrophobicContact CB-CD1 3.34Å; A143-F150 HydrophobicContact CB-CD2 4.27Å; A143-F150 HydrophobicContact CB-CE1 3.21Å; A143-F150 HydrophobicContact CB-CE2 4.17Å; A143-F150 HydrophobicContact CB-CG 3.89Å; A143-F150 HydrophobicContact CB-CZ 3.66Å | ||
| 144 | P | 79.4 | Confident | 74.7 | Confident | 125 Ų | 125 | 86 Ų | 86 | 81% | 0.812 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -71.2 | -7.7 | 174.7 | 30.3 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 145 | V | 75.4 | Confident | 74.4 | Confident | 73 Ų | 73 | 85.9 Ų | 85.9 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -135.7 | 114.6 | -176.2 | -70.6 | 0 | 0 | 0 | 0 | 110.3 | A143 T147 F150 | A143-V145 PolarHBondContact O-N 2.92Å; V145-T147 VanDerWaalsContact C-N 3.26Å; V145-T147 PolarHBondContact O-N 3.41Å; V145-F150 HydrophobicContact CG2-CB 4.33Å; V145-F150 HydrophobicContact CG2-CD2 4.12Å; V145-F150 HydrophobicContact CG2-CG 4.46Å |
| 146 | D | 62.7 | Low | 74.1 | Confident | 155 Ų | 155 | 84.8 Ų | 84.8 | 83% | 0.829 | 48% | 0.476 | S | S | * | . | trans | -81.6 | 67.6 | 177.9 | -174.5 | 12.9 | 0 | 0 | 0 | 110.9 | ||||
| 147 | T | 62 | Low | 73.9 | Confident | 72 Ų | 72 | 85 Ų | 85 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | trans | -126.9 | 136.2 | 176.8 | 62.5 | 0 | 0 | 0 | 0 | 110.1 | V145 R149 F150 | V145-T147 VanDerWaalsContact C-N 3.26Å; V145-T147 PolarHBondContact O-N 3.41Å; T147-R149 PolarHBondContact O-N 2.84Å; T147-F150 WeakPolarHBondContact O-CB 3.32Å; T147-F150 PolarHBondContact O-N 3.29Å | ||
| 148 | G | 68.2 | Low | 73.8 | Confident | 59 Ų | 59 | 84.6 Ų | 84.6 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -53.3 | -19.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N152 | G148-N152 PolarHBondContact O-N 2.98Å; G148-N152 VanDerWaalsContact O-N 3.12Å |
| 149 | R | 67 | Low | 73.7 | Confident | 214 Ų | 214 | 89.2 Ų | 89.2 | 81% | 0.808 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -36.2 | 171 | -172.2 | 177.4 | 179.4 | -173.1 | 0 | 113.4 | T147 N152 N153 | T147-R149 PolarHBondContact O-N 2.84Å; R149-N152 PolarHBondContact O-N 3.04Å; R149-N153 PolarHBondContact O-N 2.89Å |
| 150 | F | 69.9 | Low | 73.4 | Confident | 55 Ų | 55 | 93.8 Ų | 93.8 | 24% | 0.241 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -67.4 | -47.2 | 177.6 | -175.4 | -95.5 | 0 | 0 | 0 | 110.9 | I139 A143 V145 T147 N152 N153 N154 | I139-F150 HydrophobicContact CG2-CE1 3.75Å; I139-F150 HydrophobicContact CG2-CZ 4.25Å; A143-F150 HydrophobicContact CB-CD1 3.34Å; A143-F150 HydrophobicContact CB-CD2 4.27Å; A143-F150 HydrophobicContact CB-CE1 3.21Å; A143-F150 HydrophobicContact CB-CE2 4.17Å; A143-F150 HydrophobicContact CB-CG 3.89Å; A143-F150 HydrophobicContact CB-CZ 3.66Å; V145-F150 HydrophobicContact CG2-CB 4.33Å; V145-F150 HydrophobicContact CG2-CD2 4.12Å; V145-F150 HydrophobicContact CG2-CG 4.46Å; T147-F150 WeakPolarHBondContact O-CB 3.32Å; T147-F150 PolarHBondContact O-N 3.29Å; F150-N152 VanDerWaalsContact C-N 3.28Å; F150-N152 PolarHBondContact O-N 3.28Å; F150-N153 PolarHBondContact O-N 2.89Å; F150-N154 WeakPolarHBondContact CD1-ND2 3.31Å; F150-N154 WeakPolarHBondContact CE1-ND2 3.38Å; F150-N154 WeakPolarHBondContact CZ-ND2 3.29Å; F150-N154 PolarHBondContact O-N 3.39Å; F150-N154 PolarHBondContact O-ND2 3.36Å |
| 151 | R | 70.2 | Confident | 73 | Confident | 118 Ų | 118 | 97 Ų | 97 | 45% | 0.445 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -53.6 | -44.5 | 172.1 | -77.7 | -106 | -70.1 | -87.7 | 1.3 | 112.7 | D140 N153 N154 | D140-R151 HydrophobicContact CB-CG 3.87Å; D140-R151 WeakPolarHBondContact OD1-CG 3.19Å; D140-R151 VanDerWaalsContact OD2-CD 3.28Å; D140-R151 WeakPolarHBondContact OD2-CD 3.49Å; D140-R151 WeakPolarHBondContact OD2-CG 3.35Å; D140-R151 IonicContact OD2-CZ 3.27Å; D140-R151 IonicContact OD2-NE 3.63Å; D140-R151 IonicContact OD2-NH1 3.83Å; D140-R151 PolarHBondContact OD2-NH1 2.95Å; R151-N153 VanDerWaalsContact C-N 3.28Å; R151-N153 PolarHBondContact O-N 3.34Å; R151-N154 PolarHBondContact O-N 3.38Å |
| 152 | N | 67.6 | Low | 72.8 | Confident | 79 Ų | 79 | 95.3 Ų | 95.3 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.7 | -19.3 | -175.6 | -123.6 | -3.4 | 0 | 0 | 0 | 114.4 | G148 R149 F150 D170 | G148-N152 PolarHBondContact O-N 2.98Å; G148-N152 VanDerWaalsContact O-N 3.12Å; R149-N152 PolarHBondContact O-N 3.04Å; F150-N152 VanDerWaalsContact C-N 3.28Å; F150-N152 PolarHBondContact O-N 3.28Å; N152-D170 PolarHBondContact ND2-N 3.49Å; N152-D170 PolarHBondContact ND2-O 3.15Å |
| 153 | N | 69.4 | Low | 72.2 | Confident | 135 Ų | 135 | 100.3 Ų | 100.3 | 72% | 0.722 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -95.3 | -5.1 | 179.1 | -163.8 | 58.6 | 0 | 0 | 0 | 113.5 | R149 F150 R151 | R149-N153 PolarHBondContact O-N 2.89Å; F150-N153 PolarHBondContact O-N 2.89Å; R151-N153 VanDerWaalsContact C-N 3.28Å; R151-N153 PolarHBondContact O-N 3.34Å |
| 154 | N | 73.1 | Confident | 71.5 | Confident | 48 Ų | 48 | 101.1 Ų | 101.1 | 26% | 0.257 | 54% | 0.539 | S | S | . | . | trans | -101.7 | 120 | -179.9 | -74.8 | -62.3 | 0 | 0 | 0 | 110.2 | L136 I139 F150 R151 | L136-N154 HydrophobicContact CD1-CB 4.11Å; I139-N154 HydrophobicContact CG2-CB 4.33Å; F150-N154 WeakPolarHBondContact CD1-ND2 3.31Å; F150-N154 WeakPolarHBondContact CE1-ND2 3.38Å; F150-N154 WeakPolarHBondContact CZ-ND2 3.29Å; F150-N154 PolarHBondContact O-N 3.39Å; F150-N154 PolarHBondContact O-ND2 3.36Å; R151-N154 PolarHBondContact O-N 3.38Å | ||
| 155 | L | 75.1 | Confident | 70.6 | Confident | 105 Ų | 105 | 102.6 Ų | 102.6 | 55% | 0.55 | 54% | 0.538 | S | S | . | . | trans | -103.2 | 128.9 | 174.2 | -63.9 | 171.2 | 0 | 0 | 0 | 109.2 | G164 | L155-G164 WeakPolarHBondContact CD1-O 3.27Š| ||
| 156 | V | 78.2 | Confident | 69.8 | Low | 42 Ų | 42 | 102.3 Ų | 102.3 | 26% | 0.255 | 54% | 0.539 | S | S | . | . | trans | -115.8 | 108.4 | 175.3 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | I135 L136 I139 | I135-V156 HydrophobicContact CB-CG1 3.93Å; I135-V156 HydrophobicContact CD1-CG1 4.24Å; I135-V156 HydrophobicContact CG2-CB 4.45Å; I135-V156 HydrophobicContact CG2-CG1 3.65Å; I135-V156 HydrophobicContact CG2-CG2 3.88Å; L136-V156 HydrophobicContact CB-CG2 4.21Å; L136-V156 HydrophobicContact CD1-CG2 4.23Å; I139-V156 HydrophobicContact CD1-CG2 3.72Å | ||
| 157 | S | 77.2 | Confident | 69.6 | Low | 52 Ų | 52 | 102.2 Ų | 102.2 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | trans | -105 | 146.3 | 172.6 | 79.1 | 0 | 0 | 0 | 0 | 110.8 | H160 D162 | S157-H160 WeakPolarHBondContact CB-O 3.26Å; S157-H160 PolarHBondContact OG-O 3.19Å; S157-D162 PolarHBondContact OG-N 2.79Å; S157-D162 VanDerWaalsContact OG-N 3.09Å | ||
| 158 | L | 78 | Confident | 69.3 | Low | 63 Ų | 63 | 104.6 Ų | 104.6 | 33% | 0.33 | 55% | 0.549 | S | S | . | . | trans | -122.5 | 152.8 | 174.5 | -66.5 | 172.3 | 0 | 0 | 0 | 108.7 | I128 I131 A132 I135 H160 | I128-L158 HydrophobicContact CG2-CB 4.31Å; I128-L158 HydrophobicContact CG2-CD1 4.11Å; I131-L158 HydrophobicContact CB-CD1 3.94Å; I131-L158 HydrophobicContact CG2-CD1 3.68Å; A132-L158 HydrophobicContact CB-CD1 4.11Å; I135-L158 HydrophobicContact CD1-CD2 4.05Å; L158-H160 PolarHBondContact O-N 3.4Å | ||
| 159 | Q | 76.8 | Confident | 68.8 | Low | 156 Ų | 156 | 105.6 Ų | 105.6 | 73% | 0.729 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 70.3 | -47.2 | -176.6 | -54.3 | 178.4 | -37.4 | 0 | 0 | 115.5 | ||
| 160 | H | 75.7 | Confident | 68.3 | Low | 152 Ų | 152 | 97.6 Ų | 97.6 | 70% | 0.704 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -129.6 | 140.2 | 175.5 | -71 | -80.4 | 0 | 0 | 0 | 111.3 | S157 L158 D162 | S157-H160 WeakPolarHBondContact CB-O 3.26Å; S157-H160 PolarHBondContact OG-O 3.19Å; L158-H160 PolarHBondContact O-N 3.4Å; H160-D162 PolarHBondContact O-N 3.24Å |
| 161 | P | 72.9 | Confident | 67.6 | Low | 93 Ų | 93 | 100 Ų | 100 | 60% | 0.604 | 54% | 0.538 | S | S | * | . | trans | -67.6 | 123 | 175.5 | 27.7 | -32.5 | 0 | 0 | 0 | 109.9 | F163 | P161-F163 HydrophobicContact CB-CD2 4.46Å; P161-F163 HydrophobicContact CB-CE2 3.74Å; P161-F163 HydrophobicContact CB-CZ 3.9Å; P161-F163 HydrophobicContact CG-CE2 4.17Å | ||
| 162 | D | 72.6 | Confident | 66.9 | Low | 105 Ų | 105 | 100.4 Ų | 100.4 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | trans | -104 | 117.5 | 171.4 | -173 | 3.6 | 0 | 0 | 0 | 109 | S157 H160 G164 | S157-D162 PolarHBondContact OG-N 2.79Å; S157-D162 VanDerWaalsContact OG-N 3.09Å; H160-D162 PolarHBondContact O-N 3.24Å; D162-G164 PolarHBondContact OD1-N 3.31Å | ||
| 163 | F | 67.1 | Low | 66.1 | Low | 187 Ų | 187 | 99.7 Ų | 99.7 | 82% | 0.82 | 56% | 0.56 | S | S | * | * | trans | -106.5 | 11.1 | 177.6 | -60.3 | -73.2 | 0 | 0 | 0 | 112.3 | P161 I165 | P161-F163 HydrophobicContact CB-CD2 4.46Å; P161-F163 HydrophobicContact CB-CE2 3.74Å; P161-F163 HydrophobicContact CB-CZ 3.9Å; P161-F163 HydrophobicContact CG-CE2 4.17Å; F163-I165 PolarHBondContact O-N 3.1Å | ||
| 164 | G | 64 | Low | 65.4 | Low | 36 Ų | 36 | 101.2 Ų | 101.2 | 37% | 0.371 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 132 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L155 D162 | L155-G164 WeakPolarHBondContact CD1-O 3.27Å; D162-G164 PolarHBondContact OD1-N 3.31Å |
| 165 | I | 60.8 | Low | 64.1 | Low | 155 Ų | 155 | 105.6 Ų | 105.6 | 80% | 0.795 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 122.5 | 160.4 | 51.3 | 168.4 | 0 | 0 | 0 | 107.4 | F163 D167 | F163-I165 PolarHBondContact O-N 3.1Å; I165-D167 PolarHBondContact O-N 3.31Å |
| 166 | S | 58.1 | Low | 63.1 | Low | 67 Ų | 67 | 106.9 Ų | 106.9 | 47% | 0.469 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -81.3 | 118.5 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | N168 V169 | S166-N168 PolarHBondContact O-N 3.18Å; S166-N168 PolarHBondContact OG-N 3.24Å; S166-V169 WeakPolarHBondContact O-CG2 3.4Å |
| 167 | D | 57.5 | Low | 61.9 | Low | 154 Ų | 154 | 108.7 Ų | 108.7 | 82% | 0.824 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -3.4 | 172 | -67.1 | -22.2 | 0 | 0 | 0 | 112.7 | I165 V169 | I165-D167 PolarHBondContact O-N 3.31Å; D167-V169 PolarHBondContact O-N 2.9Å |
| 168 | N | 56.4 | Low | 61.1 | Low | 122 Ų | 122 | 115 Ų | 115 | 65% | 0.652 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 19.5 | -172.5 | -104.4 | -10 | 0 | 0 | 0 | 114.6 | S166 D170 K177 | S166-N168 PolarHBondContact O-N 3.18Å; S166-N168 PolarHBondContact OG-N 3.24Å; N168-D170 PolarHBondContact O-N 3.45Å; N168-K177 PolarHBondContact O-NZ 2.82Å; N168-K177 VanDerWaalsContact O-NZ 3.17Å |
| 169 | V | 57.3 | Low | 60.8 | Low | 80 Ų | 80 | 116.2 Ų | 116.2 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | trans | -52.5 | 123.4 | 177.3 | -175 | 0 | 0 | 0 | 0 | 110.7 | S166 D167 P171 | S166-V169 WeakPolarHBondContact O-CG2 3.4Å; D167-V169 PolarHBondContact O-N 2.9Å; V169-P171 WeakPolarHBondContact O-CD 3.5Å | ||
| 170 | D | 56.1 | Low | 60.3 | Low | 45 Ų | 45 | 114.3 Ų | 114.3 | 24% | 0.241 | 62% | 0.618 | C | S | . | * | trans | -93 | 99.3 | 166.6 | 173 | 14.1 | 0 | 0 | 0 | 108.8 | N152 N168 N172 G173 | N152-D170 PolarHBondContact ND2-N 3.49Å; N152-D170 PolarHBondContact ND2-O 3.15Å; N168-D170 PolarHBondContact O-N 3.45Å; D170-N172 VanDerWaalsContact C-N 3.26Å; D170-N172 PolarHBondContact O-N 3.39Å; D170-N172 PolarHBondContact OD1-N 2.86Å; D170-G173 PolarHBondContact OD1-N 3.43Å; D170-G173 PolarHBondContact OD2-N 3.43Å | ||
| 171 | P | 55.4 | Low | 60.3 | Low | 107 Ų | 107 | 110.5 Ų | 110.5 | 70% | 0.695 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -71.8 | -12.4 | -174.2 | 25.1 | -32.2 | 0 | 0 | 0 | 114.6 | V169 | V169-P171 WeakPolarHBondContact O-CD 3.5Š|
| 172 | N | 55.8 | Low | 60.6 | Low | 125 Ų | 125 | 114 Ų | 114 | 67% | 0.668 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -124.6 | -0.8 | -170.8 | -72.3 | -25.3 | 0 | 0 | 0 | 116.2 | D170 L174 | D170-N172 VanDerWaalsContact C-N 3.26Å; D170-N172 PolarHBondContact O-N 3.39Å; D170-N172 PolarHBondContact OD1-N 2.86Å; N172-L174 PolarHBondContact O-N 2.84Å |
| 173 | G | 51.8 | Low | 60.5 | Low | 65 Ų | 65 | 113.4 Ų | 113.4 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 58.2 | 10.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | D170 | D170-G173 PolarHBondContact OD1-N 3.43Å; D170-G173 PolarHBondContact OD2-N 3.43Å |
| 174 | L | 54.3 | Low | 60.9 | Low | 167 Ų | 167 | 108.2 Ų | 108.2 | 87% | 0.874 | 58% | 0.584 | S | S | * | * | trans | -124.7 | 6.6 | -174.6 | -93 | 144.5 | 0 | 0 | 0 | 112.4 | N172 | N172-L174 PolarHBondContact O-N 2.84Š| ||
| 175 | Q | 46.1 | Very low | 61.7 | Low | 139 Ų | 139 | 110 Ų | 110 | 65% | 0.65 | 59% | 0.587 | S | S | * | * | trans | -128 | 103.6 | 177 | -61.1 | -174.6 | 15 | 0 | 0 | 108.3 | K177 | Q175-K177 PolarHBondContact O-N 3.39Š| ||
| 176 | M | 53.5 | Low | 62.4 | Low | 133 Ų | 133 | 106.1 Ų | 106.1 | 66% | 0.655 | 57% | 0.567 | S | S | * | * | trans | -50.2 | 119 | 150.6 | -76.6 | -176.5 | -172.5 | 0 | 0 | 105.5 | F178 I181 | M176-F178 PolarHBondContact O-N 3.47Å; M176-I181 HydrophobicContact CB-CD1 3.82Å; M176-I181 HydrophobicContact CB-CG1 3.38Å; M176-I181 HydrophobicContact CG-CG1 4.35Å; M176-I181 WeakPolarHBondContact O-CD1 3.42Å; M176-I181 HydrophobicContact SD-CG1 4.06Å | ||
| 177 | K | 53.7 | Low | 63.2 | Low | 80 Ų | 80 | 106.6 Ų | 106.6 | 35% | 0.348 | 57% | 0.57 | S | S | . | * | trans | -57.5 | 141.7 | -178 | -67.8 | -169.3 | -178.7 | 177.5 | 0 | 107.5 | N168 Q175 T179 E180 I181 | N168-K177 PolarHBondContact O-NZ 2.82Å; N168-K177 VanDerWaalsContact O-NZ 3.17Å; Q175-K177 PolarHBondContact O-N 3.39Å; K177-T179 CarbonylContact O-C 3.51Å; K177-T179 PolarHBondContact O-N 3.36Å; K177-E180 PolarHBondContact O-N 3.06Å; K177-I181 PolarHBondContact O-N 3.38Å; K177-I181 VanDerWaalsContact O-N 3.12Å | ||
| 178 | F | 60 | Low | 63.9 | Low | 183 Ų | 183 | 108.5 Ų | 108.5 | 80% | 0.803 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -47.4 | -29.4 | 179.9 | -96.6 | -85.7 | 0 | 0 | 0 | 112.7 | M176 R182 | M176-F178 PolarHBondContact O-N 3.47Å; F178-R182 WeakPolarHBondContact O-CB 3Å; F178-R182 PolarHBondContact O-N 3.38Å |
| 179 | T | 71.5 | Confident | 64.7 | Low | 89 Ų | 89 | 109 Ų | 109 | 55% | 0.546 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.4 | -42.4 | 173.5 | -51.4 | 0 | 0 | 0 | 0 | 114.2 | K177 R182 N183 | K177-T179 CarbonylContact O-C 3.51Å; K177-T179 PolarHBondContact O-N 3.36Å; T179-R182 WeakPolarHBondContact O-CB 3.46Å; T179-R182 PolarHBondContact O-N 3.12Å; T179-N183 WeakPolarHBondContact O-CB 3.38Å; T179-N183 PolarHBondContact O-N 3.4Å; T179-N183 PolarHBondContact O-ND2 2.89Å; T179-N183 PolarHBondContact O-OD1 3.25Å |
| 180 | E | 66.3 | Low | 65 | Low | 116 Ų | 116 | 110.5 Ų | 110.5 | 54% | 0.542 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.7 | -43.5 | 177.8 | -73 | 175.2 | 168.8 | 0 | 0 | 111 | K177 R182 N183 T184 | K177-E180 PolarHBondContact O-N 3.06Å; E180-R182 VanDerWaalsContact C-N 3.27Å; E180-R182 PolarHBondContact O-N 2.78Å; E180-N183 PolarHBondContact O-N 3.38Å; E180-T184 PolarHBondContact O-N 3.34Å; E180-T184 PolarHBondContact O-OG1 2.87Å; E180-T184 VanDerWaalsContact O-OG1 3.14Å |
| 181 | I | 75.9 | Confident | 65.1 | Low | 72 Ų | 72 | 112 Ų | 112 | 37% | 0.369 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -55.4 | -48.2 | 170.1 | -59.4 | -178.9 | 0 | 0 | 0 | 109.2 | M176 K177 N183 T184 V185 | M176-I181 HydrophobicContact CB-CD1 3.82Å; M176-I181 HydrophobicContact CB-CG1 3.38Å; M176-I181 HydrophobicContact CG-CG1 4.35Å; M176-I181 WeakPolarHBondContact O-CD1 3.42Å; M176-I181 HydrophobicContact SD-CG1 4.06Å; K177-I181 PolarHBondContact O-N 3.38Å; K177-I181 VanDerWaalsContact O-N 3.12Å; I181-N183 PolarHBondContact O-N 3.1Å; I181-T184 PolarHBondContact O-N 2.79Å; I181-V185 HydrophobicContact CG2-CG2 4.13Å; I181-V185 VanDerWaalsContact O-CB 3.31Å; I181-V185 WeakPolarHBondContact O-CB 3.41Å; I181-V185 WeakPolarHBondContact O-CG2 3.16Å; I181-V185 PolarHBondContact O-N 3.02Å |
| 182 | R | 79.6 | Confident | 65.5 | Low | 167 Ų | 167 | 113.7 Ų | 113.7 | 63% | 0.63 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -56.9 | -47.9 | 177.3 | 177.3 | -173.3 | -176.7 | -169.1 | 1.3 | 111.3 | F178 T179 E180 V185 I186 | F178-R182 WeakPolarHBondContact O-CB 3Å; F178-R182 PolarHBondContact O-N 3.38Å; T179-R182 WeakPolarHBondContact O-CB 3.46Å; T179-R182 PolarHBondContact O-N 3.12Å; E180-R182 VanDerWaalsContact C-N 3.27Å; E180-R182 PolarHBondContact O-N 2.78Å; R182-V185 PolarHBondContact O-N 3.18Å; R182-I186 HydrophobicContact CG-CD1 3.67Å; R182-I186 HydrophobicContact CG-CG1 4.34Å; R182-I186 WeakPolarHBondContact O-CB 3.09Å; R182-I186 WeakPolarHBondContact O-CG1 3.21Å; R182-I186 PolarHBondContact O-N 2.95Å |
| 183 | N | 69.1 | Low | 65.7 | Low | 93 Ų | 93 | 113.8 Ų | 113.8 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.3 | -40.4 | -177.6 | -71.2 | -11.5 | 0 | 0 | 0 | 112.2 | T179 E180 I181 I186 S187 | T179-N183 WeakPolarHBondContact O-CB 3.38Å; T179-N183 PolarHBondContact O-N 3.4Å; T179-N183 PolarHBondContact O-ND2 2.89Å; T179-N183 PolarHBondContact O-OD1 3.25Å; E180-N183 PolarHBondContact O-N 3.38Å; I181-N183 PolarHBondContact O-N 3.1Å; N183-I186 PolarHBondContact O-N 3.31Å; N183-S187 WeakPolarHBondContact O-CB 3.08Å; N183-S187 PolarHBondContact O-N 2.86Å |
| 184 | T | 75 | Confident | 66.3 | Low | 77 Ų | 77 | 118.4 Ų | 118.4 | 47% | 0.472 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66 | -41.2 | 174.4 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | E180 I181 S187 R188 | E180-T184 PolarHBondContact O-N 3.34Å; E180-T184 PolarHBondContact O-OG1 2.87Å; E180-T184 VanDerWaalsContact O-OG1 3.14Å; I181-T184 PolarHBondContact O-N 2.79Å; T184-S187 PolarHBondContact O-N 3.14Å; T184-R188 PolarHBondContact O-N 2.9Å |
| 185 | V | 81 | Confident | 66.8 | Low | 73 Ų | 73 | 115.6 Ų | 115.6 | 44% | 0.442 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.9 | -46.5 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | I181 R182 S187 R188 M189 | I181-V185 HydrophobicContact CG2-CG2 4.13Å; I181-V185 VanDerWaalsContact O-CB 3.31Å; I181-V185 WeakPolarHBondContact O-CB 3.41Å; I181-V185 WeakPolarHBondContact O-CG2 3.16Å; I181-V185 PolarHBondContact O-N 3.02Å; R182-V185 PolarHBondContact O-N 3.18Å; V185-S187 VanDerWaalsContact C-N 3.32Å; V185-S187 PolarHBondContact O-N 3.41Å; V185-R188 PolarHBondContact O-N 3.45Å; V185-M189 HydrophobicContact CG1-CG 4.26Å; V185-M189 HydrophobicContact CG1-SD 3.79Å; V185-M189 WeakPolarHBondContact O-CB 3.19Å; V185-M189 VanDerWaalsContact O-CG 3.28Å; V185-M189 WeakPolarHBondContact O-CG 3.41Å; V185-M189 PolarHBondContact O-N 2.87Å |
| 186 | I | 76.3 | Confident | 67.7 | Low | 75 Ų | 75 | 112.9 Ų | 112.9 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -56.6 | -47.5 | 175.4 | -72.2 | 168.4 | 0 | 0 | 0 | 110.2 | R182 N183 R188 M189 T190 | R182-I186 HydrophobicContact CG-CD1 3.67Å; R182-I186 HydrophobicContact CG-CG1 4.34Å; R182-I186 WeakPolarHBondContact O-CB 3.09Å; R182-I186 WeakPolarHBondContact O-CG1 3.21Å; R182-I186 PolarHBondContact O-N 2.95Å; N183-I186 PolarHBondContact O-N 3.31Å; I186-R188 VanDerWaalsContact C-N 3.34Å; I186-R188 PolarHBondContact O-N 3.35Å; I186-M189 PolarHBondContact O-N 3.28Å; I186-M189 VanDerWaalsContact O-N 3.15Å; I186-T190 HydrophobicContact CG2-CG2 4.43Å; I186-T190 PolarHBondContact O-N 3.35Å; I186-T190 PolarHBondContact O-OG1 3.25Å; I186-T190 VanDerWaalsContact O-OG1 3.1Å |
| 187 | S | 73.8 | Confident | 68.1 | Low | 76 Ų | 76 | 107.1 Ų | 107.1 | 53% | 0.531 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.1 | -39.3 | -179.2 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | N183 T184 V185 T190 A191 | N183-S187 WeakPolarHBondContact O-CB 3.08Å; N183-S187 PolarHBondContact O-N 2.86Å; T184-S187 PolarHBondContact O-N 3.14Å; V185-S187 VanDerWaalsContact C-N 3.32Å; V185-S187 PolarHBondContact O-N 3.41Å; S187-T190 WeakPolarHBondContact CA-OG1 3.35Å; S187-T190 PolarHBondContact O-OG1 2.93Å; S187-A191 PolarHBondContact O-N 3.15Å |
| 188 | R | 73.1 | Confident | 68.4 | Low | 195 Ų | 195 | 109.2 Ų | 109.2 | 74% | 0.736 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.9 | -38 | 173.6 | -71.4 | -162.9 | -178.2 | -168.4 | 2.4 | 113 | T184 V185 I186 T190 A191 Q192 | T184-R188 PolarHBondContact O-N 2.9Å; V185-R188 PolarHBondContact O-N 3.45Å; I186-R188 VanDerWaalsContact C-N 3.34Å; I186-R188 PolarHBondContact O-N 3.35Å; R188-T190 VanDerWaalsContact C-N 3.34Å; R188-A191 PolarHBondContact O-N 3.31Å; R188-Q192 PolarHBondContact O-N 3.18Å |
| 189 | M | 72.7 | Confident | 68.8 | Low | 133 Ų | 133 | 104.8 Ų | 104.8 | 66% | 0.655 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.2 | -37.2 | 176.8 | -71.9 | 179.4 | 72.4 | 0 | 0 | 112 | V185 I186 A191 Q192 | V185-M189 HydrophobicContact CG1-CG 4.26Å; V185-M189 HydrophobicContact CG1-SD 3.79Å; V185-M189 WeakPolarHBondContact O-CB 3.19Å; V185-M189 VanDerWaalsContact O-CG 3.28Å; V185-M189 WeakPolarHBondContact O-CG 3.41Å; V185-M189 PolarHBondContact O-N 2.87Å; I186-M189 PolarHBondContact O-N 3.28Å; I186-M189 VanDerWaalsContact O-N 3.15Å; M189-A191 VanDerWaalsContact C-N 3.28Å; M189-A191 PolarHBondContact O-N 2.84Å; M189-Q192 PolarHBondContact O-N 3.17Å |
| 190 | T | 63.9 | Low | 68.7 | Low | 111 Ų | 111 | 103.1 Ų | 103.1 | 68% | 0.681 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.3 | -23.7 | 175.5 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | I186 S187 R188 | I186-T190 HydrophobicContact CG2-CG2 4.43Å; I186-T190 PolarHBondContact O-N 3.35Å; I186-T190 PolarHBondContact O-OG1 3.25Å; I186-T190 VanDerWaalsContact O-OG1 3.1Å; S187-T190 WeakPolarHBondContact CA-OG1 3.35Å; S187-T190 PolarHBondContact O-OG1 2.93Å; R188-T190 VanDerWaalsContact C-N 3.34Å |
| 191 | A | 58.5 | Low | 68.5 | Low | 76 Ų | 76 | 103.3 Ų | 103.3 | 63% | 0.628 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -85.7 | -16.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S187 R188 M189 T193 | S187-A191 PolarHBondContact O-N 3.15Å; R188-A191 PolarHBondContact O-N 3.31Å; M189-A191 VanDerWaalsContact C-N 3.28Å; M189-A191 PolarHBondContact O-N 2.84Å; A191-T193 PolarHBondContact O-N 3.2Å |
| 192 | Q | 64.7 | Low | 68 | Low | 142 Ų | 142 | 106.6 Ų | 106.6 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -75.4 | 108.6 | 176.1 | -165.9 | 156.8 | 4.5 | 0 | 0 | 108.7 | R188 M189 I194 | R188-Q192 PolarHBondContact O-N 3.18Å; M189-Q192 PolarHBondContact O-N 3.17Å; Q192-I194 PolarHBondContact O-N 2.73Å |
| 193 | T | 59.6 | Low | 67.1 | Low | 127 Ų | 127 | 104.3 Ų | 104.3 | 78% | 0.779 | 56% | 0.558 | S | S | * | * | trans | -44.1 | 128.4 | 176.5 | -46.3 | 0 | 0 | 0 | 0 | 110.2 | A191 I195 | A191-T193 PolarHBondContact O-N 3.2Å; T193-I195 PolarHBondContact O-N 2.85Å; T193-I195 VanDerWaalsContact O-N 3.1Å | ||
| 194 | I | 64.5 | Low | 67 | Low | 162 Ų | 162 | 108.3 Ų | 108.3 | 83% | 0.831 | 58% | 0.579 | S | S | * | * | trans | -38.9 | 115.2 | 179.9 | -61.4 | 167 | 0 | 0 | 0 | 109.8 | Q192 D196 | Q192-I194 PolarHBondContact O-N 2.73Å; I194-D196 PolarHBondContact O-N 3.44Å | ||
| 195 | I | 64 | Low | 66.5 | Low | 109 Ų | 109 | 106.1 Ų | 106.1 | 56% | 0.559 | 57% | 0.572 | S | S | * | * | trans | -70.1 | 120.4 | 171.3 | -58.3 | 170.6 | 0 | 0 | 0 | 106.3 | T193 D199 V200 | T193-I195 PolarHBondContact O-N 2.85Å; T193-I195 VanDerWaalsContact O-N 3.1Å; I195-D199 HydrophobicContact CG2-CB 4.25Å; I195-V200 HydrophobicContact CG2-CG2 4.03Å | ||
| 196 | D | 64.3 | Low | 65.8 | Low | 82 Ų | 82 | 108 Ų | 108 | 44% | 0.439 | 59% | 0.586 | S | S | . | * | trans | -61.6 | 138.1 | 176.2 | -170.7 | 0.2 | 0 | 0 | 0 | 109.6 | I194 K198 D199 | I194-D196 PolarHBondContact O-N 3.44Å; D196-K198 HydrophobicContact CB-CG 4.34Å; D196-K198 PolarHBondContact O-N 2.78Å; D196-K198 VanDerWaalsContact O-N 3.13Å; D196-K198 WeakPolarHBondContact OD2-CE 3.34Å; D196-K198 WeakPolarHBondContact OD2-CG 3.15Å; D196-K198 IonicContact OD2-NZ 2.65Å; D196-D199 WeakPolarHBondContact O-CA 3.33Å; D196-D199 WeakPolarHBondContact O-CB 3.25Å; D196-D199 PolarHBondContact O-N 3.45Å | ||
| 197 | G | 63.4 | Low | 65.3 | Low | 11 Ų | 11 | 108.5 Ų | 108.5 | 11% | 0.113 | 59% | 0.592 | C | S | . | * | G | 310 helix | trans | -57.5 | -33.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D199 V200 | G197-D199 PolarHBondContact O-N 2.82Å; G197-V200 PolarHBondContact O-N 3.05Å |
| 198 | K | 60.4 | Low | 65.4 | Low | 124 Ų | 124 | 110.1 Ų | 110.1 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -65.6 | -19.3 | 175.8 | 70.2 | 175.5 | 179.2 | 45.3 | 0 | 113.9 | D196 | D196-K198 HydrophobicContact CB-CG 4.34Å; D196-K198 PolarHBondContact O-N 2.78Å; D196-K198 VanDerWaalsContact O-N 3.13Å; D196-K198 WeakPolarHBondContact OD2-CE 3.34Å; D196-K198 WeakPolarHBondContact OD2-CG 3.15Å; D196-K198 IonicContact OD2-NZ 2.65Å |
| 199 | D | 66.4 | Low | 65.4 | Low | 91 Ų | 91 | 105 Ų | 105 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -92.3 | -7.9 | -178.1 | -60.7 | -24.7 | 0 | 0 | 0 | 112.1 | I195 D196 G197 L201 | I195-D199 HydrophobicContact CG2-CB 4.25Å; D196-D199 WeakPolarHBondContact O-CA 3.33Å; D196-D199 WeakPolarHBondContact O-CB 3.25Å; D196-D199 PolarHBondContact O-N 3.45Å; G197-D199 PolarHBondContact O-N 2.82Å; D199-L201 PolarHBondContact O-N 3.05Å |
| 200 | V | 71 | Confident | 65.3 | Low | 54 Ų | 54 | 102.9 Ų | 102.9 | 33% | 0.327 | 57% | 0.574 | S | S | . | * | trans | -77 | 79.1 | 169 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | I195 G197 F208 | I195-V200 HydrophobicContact CG2-CG2 4.03Å; G197-V200 PolarHBondContact O-N 3.05Å; V200-F208 HydrophobicContact CB-CB 4.4Å; V200-F208 HydrophobicContact CG1-CB 4.49Å | ||
| 201 | L | 62.5 | Low | 65.9 | Low | 119 Ų | 119 | 102.7 Ų | 102.7 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | trans | -90.8 | 118.3 | 175.4 | -61.5 | 176.8 | 0 | 0 | 0 | 109.9 | D199 T207 | D199-L201 PolarHBondContact O-N 3.05Å; L201-T207 HydrophobicContact CD2-CG2 4.22Å | ||
| 202 | Y | 65.3 | Low | 66.5 | Low | 142 Ų | 142 | 100.6 Ų | 100.6 | 56% | 0.557 | 56% | 0.562 | S | S | * | * | trans | -75 | 124.3 | 158.2 | -66.5 | -79.1 | 0 | 0 | 0 | 107.7 | N204 G205 P206 | Y202-N204 PolarHBondContact O-N 2.77Å; Y202-G205 PolarHBondContact O-N 3.03Å; Y202-P206 WeakPolarHBondContact CD2-O 3.46Å | ||
| 203 | P | 60.8 | Low | 67.1 | Low | 118 Ų | 118 | 97.7 Ų | 97.7 | 77% | 0.766 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 105.8 | 173.8 | 22.9 | -29.6 | 0 | 0 | 0 | 108.2 | ||
| 204 | N | 66.8 | Low | 68.4 | Low | 177 Ų | 177 | 97.7 Ų | 97.7 | 95% | 0.947 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.8 | 6.3 | -174.4 | -42.8 | -46.4 | 0 | 0 | 0 | 117.3 | Y202 | Y202-N204 PolarHBondContact O-N 2.77Š|
| 205 | G | 63.8 | Low | 69.7 | Low | 32 Ų | 32 | 92.3 Ų | 92.3 | 33% | 0.33 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -98.6 | 170 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y202 | Y202-G205 PolarHBondContact O-N 3.03Š|
| 206 | P | 65.5 | Low | 71 | Confident | 112 Ų | 112 | 90 Ų | 90 | 73% | 0.727 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 139.6 | 171 | 26.7 | -33.1 | 0 | 0 | 0 | 110.2 | Y202 F208 | Y202-P206 WeakPolarHBondContact CD2-O 3.46Å; P206-F208 PolarHBondContact O-N 3.11Å |
| 207 | T | 66.8 | Low | 72.4 | Confident | 85 Ų | 85 | 86.3 Ų | 86.3 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -64 | 133.6 | 169.8 | -52.6 | 0 | 0 | 0 | 0 | 109 | L201 D209 | L201-T207 HydrophobicContact CD2-CG2 4.22Å; T207-D209 PolarHBondContact O-N 2.86Å |
| 208 | F | 74.9 | Confident | 73.9 | Confident | 110 Ų | 110 | 85.8 Ų | 85.8 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -71 | 118.3 | 171.5 | 177 | -108.9 | 0 | 0 | 0 | 109.3 | V200 P206 P210 | V200-F208 HydrophobicContact CB-CB 4.4Å; V200-F208 HydrophobicContact CG1-CB 4.49Å; P206-F208 PolarHBondContact O-N 3.11Å; F208-P210 HydrophobicContact CE1-CB 3.79Å; F208-P210 HydrophobicContact CE1-CG 4.2Å; F208-P210 HydrophobicContact CZ-CB 4.11Å |
| 209 | D | 72.9 | Confident | 75.6 | Confident | 89 Ų | 89 | 80.1 Ų | 80.1 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | trans | -109.9 | 103.2 | 173.2 | 179.7 | 6.1 | 0 | 0 | 0 | 109.4 | T207 S211 G212 | T207-D209 PolarHBondContact O-N 2.86Å; D209-S211 PolarHBondContact O-N 3.01Å; D209-S211 WeakPolarHBondContact OD1-CA 3.47Å; D209-S211 WeakPolarHBondContact OD1-CB 2.98Å; D209-S211 PolarHBondContact OD1-N 3.16Å; D209-S211 PolarHBondContact OD1-OG 3.25Å; D209-G212 PolarHBondContact O-N 2.64Å; D209-G212 PolarHBondContact OD1-N 3.09Å; D209-G212 VanDerWaalsContact OD1-N 3.14Å; D209-G212 WeakPolarHBondContact OD2-CA 3.28Å; D209-G212 PolarHBondContact OD2-N 2.92Å | ||
| 210 | P | 71.2 | Confident | 76.9 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 57% | 0.571 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.6 | 177.6 | 28.7 | -34.4 | 0 | 0 | 0 | 113.3 | F208 | F208-P210 HydrophobicContact CE1-CB 3.79Å; F208-P210 HydrophobicContact CE1-CG 4.2Å; F208-P210 HydrophobicContact CZ-CB 4.11Å |
| 211 | S | 76.7 | Confident | 78.1 | Confident | 107 Ų | 107 | 77 Ų | 77 | 75% | 0.748 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -11.5 | 175.9 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | D209 A213 | D209-S211 PolarHBondContact O-N 3.01Å; D209-S211 WeakPolarHBondContact OD1-CA 3.47Å; D209-S211 WeakPolarHBondContact OD1-CB 2.98Å; D209-S211 PolarHBondContact OD1-N 3.16Å; D209-S211 PolarHBondContact OD1-OG 3.25Å; S211-A213 PolarHBondContact O-N 2.83Å |
| 212 | G | 71.2 | Confident | 79.7 | Confident | 31 Ų | 31 | 72.2 Ų | 72.2 | 32% | 0.32 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -68.4 | 123.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D209 K214 | D209-G212 PolarHBondContact O-N 2.64Å; D209-G212 PolarHBondContact OD1-N 3.09Å; D209-G212 VanDerWaalsContact OD1-N 3.14Å; D209-G212 WeakPolarHBondContact OD2-CA 3.28Å; D209-G212 PolarHBondContact OD2-N 2.92Å; G212-K214 PolarHBondContact O-N 2.71Å |
| 213 | A | 78 | Confident | 81 | Confident | 81 Ų | 81 | 71.8 Ų | 71.8 | 67% | 0.669 | 43% | 0.428 | S | S | * | . | trans | -67.3 | 127.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | S211 V215 | S211-A213 PolarHBondContact O-N 2.83Å; A213-V215 VanDerWaalsContact C-N 3.27Å; A213-V215 HydrophobicContact CB-CG2 3.93Å; A213-V215 PolarHBondContact O-N 2.8Å | ||
| 214 | K | 86.3 | Confident | 82.5 | Confident | 128 Ų | 128 | 70.6 Ų | 70.6 | 56% | 0.557 | 42% | 0.418 | S | S | * | . | trans | -79.7 | 77.4 | 175.1 | -59.7 | -178.1 | -154.4 | 138 | 0 | 110.8 | G212 A317 S318 D319 | G212-K214 PolarHBondContact O-N 2.71Å; K214-A317 WeakPolarHBondContact O-CA 3.16Å; K214-S318 WeakPolarHBondContact CB-OG 3.49Å; K214-S318 PolarHBondContact O-N 2.8Å; K214-S318 PolarHBondContact O-OG 3.5Å; K214-D319 WeakPolarHBondContact CB-OD2 3.38Å; K214-D319 VanDerWaalsContact CD-OD1 3.25Å; K214-D319 WeakPolarHBondContact CD-OD1 3.28Å; K214-D319 WeakPolarHBondContact CE-OD1 3.31Å; K214-D319 VanDerWaalsContact CG-OD2 3.29Å; K214-D319 WeakPolarHBondContact CG-OD2 3.31Å; K214-D319 PolarHBondContact N-OD2 3.13Å; K214-D319 IonicContact NZ-OD1 3.77Å; K214-D319 PolarHBondContact NZ-OD1 3.23Å | ||
| 215 | V | 91.1 | Very high | 83.7 | Confident | 48 Ų | 48 | 64 Ų | 64 | 29% | 0.291 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.6 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | A213 R239 Y316 A317 | A213-V215 VanDerWaalsContact C-N 3.27Å; A213-V215 HydrophobicContact CB-CG2 3.93Å; A213-V215 PolarHBondContact O-N 2.8Å; V215-R239 PolarHBondContact O-NH2 3.38Å; V215-Y316 WeakPolarHBondContact CA-O 3.46Å; V215-A317 HydrophobicContact CG2-CB 3.85Å |
| 216 | I | 92 | Very high | 85.1 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 141.8 | 172.5 | -60.9 | 173 | 0 | 0 | 0 | 108.3 | L236 T315 Y316 I365 P369 | I216-L236 HydrophobicContact CG2-CD1 3.82Å; I216-T315 CarbonylContact O-C 3.51Å; I216-T315 VanDerWaalsContact O-CA 3.25Å; I216-T315 WeakPolarHBondContact O-CA 3.02Å; I216-Y316 PolarHBondContact N-O 2.72Å; I216-Y316 PolarHBondContact O-N 2.99Å; I216-I365 HydrophobicContact CG2-CD1 4.15Å; I216-P369 HydrophobicContact CG2-CG 4.22Å |
| 217 | S | 93.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.9 | 172.2 | -58.4 | 0 | 0 | 0 | 0 | 108.6 | L237 R239 A314 | S217-L237 WeakPolarHBondContact O-CA 3.46Å; S217-L237 PolarHBondContact O-N 3.44Å; S217-R239 PolarHBondContact OG-NE 3.42Å; S217-A314 CarbonylContact C-O 3.57Å; S217-A314 WeakPolarHBondContact CA-O 3.37Å |
| 218 | A | 95.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 162.4 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | W234 S235 A314 I365 P369 | A218-W234 HydrophobicContact CB-CB 4.19Å; A218-W234 HydrophobicContact CB-CE3 3.98Å; A218-S235 CarbonylContact C-O 3.47Å; A218-S235 WeakPolarHBondContact CA-O 3.33Å; A218-S235 WeakPolarHBondContact CB-O 3.49Å; A218-A314 PolarHBondContact N-O 3Å; A218-A314 PolarHBondContact O-N 2.82Å; A218-I365 HydrophobicContact CB-CD1 3.65Å; A218-I365 HydrophobicContact CB-CG1 4.07Å; A218-I365 HydrophobicContact CB-CG2 4.46Å; A218-P369 HydrophobicContact CB-CB 3.98Å |
| 219 | F | 94.9 | Very high | 88.6 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.022 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.9 | 176.8 | 67.6 | -80 | 0 | 0 | 0 | 111.6 | S235 L237 D287 F288 F311 S312 L313 | F219-S235 WeakPolarHBondContact CD1-O 3.32Å; F219-S235 PolarHBondContact N-O 2.86Å; F219-S235 PolarHBondContact O-N 3.03Å; F219-L237 HydrophobicContact CD1-CB 4.03Å; F219-L237 HydrophobicContact CD1-CD2 4.46Å; F219-L237 HydrophobicContact CE1-CB 4.45Å; F219-D287 HydrophobicContact CE2-CB 3.98Å; F219-F288 HydrophobicContact CD1-CE1 4.36Å; F219-F288 AromaticContact CD1-CZ 3.68Å; F219-F288 HydrophobicContact CD1-CZ 3.68Å; F219-F288 AromaticContact CD2-CE1 3.84Å; F219-F288 HydrophobicContact CD2-CE1 3.84Å; F219-F288 AromaticContact CD2-CZ 3.97Å; F219-F288 HydrophobicContact CD2-CZ 3.97Å; F219-F288 HydrophobicContact CE1-CE1 4.48Å; F219-F288 HydrophobicContact CE1-CE2 4.2Å; F219-F288 AromaticContact CE1-CZ 3.69Å; F219-F288 HydrophobicContact CE1-CZ 3.69Å; F219-F288 AromaticContact CE2-CE1 3.99Å; F219-F288 HydrophobicContact CE2-CE1 3.99Å; F219-F288 AromaticContact CE2-CZ 4Å; F219-F288 HydrophobicContact CE2-CZ 4Å; F219-F288 HydrophobicContact CG-CE1 4.03Å; F219-F288 AromaticContact CG-CZ 3.8Å; F219-F288 HydrophobicContact CG-CZ 3.8Å; F219-F288 HydrophobicContact CZ-CE1 4.3Å; F219-F288 HydrophobicContact CZ-CE2 4.34Å; F219-F288 AromaticContact CZ-CZ 3.85Å; F219-F288 HydrophobicContact CZ-CZ 3.85Å; F219-F311 AromaticContact CD2-CD1 3.97Å; F219-F311 HydrophobicContact CD2-CD1 3.97Å; F219-F311 HydrophobicContact CD2-CE1 4.41Å; F219-S312 VanDerWaalsContact CA-O 3.28Å; F219-S312 WeakPolarHBondContact CA-O 3.41Å; F219-L313 HydrophobicContact CB-CD2 3.47Å; F219-L313 VanDerWaalsContact CB-CD2 3.47Å; F219-L313 HydrophobicContact CG-CD2 4.5Å |
| 220 | I | 95.4 | Very high | 89.4 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 139.9 | 171.3 | -171.1 | 171.2 | 0 | 0 | 0 | 108.7 | T228 P229 W234 F311 S312 | I220-T228 HydrophobicContact CG2-CG2 4.22Å; I220-P229 HydrophobicContact CD1-CB 4.27Å; I220-P229 HydrophobicContact CD1-CG 4.17Å; I220-P229 HydrophobicContact CG1-CG 4.35Å; I220-W234 HydrophobicContact CB-CD2 3.97Å; I220-W234 HydrophobicContact CB-CE3 4.05Å; I220-W234 HydrophobicContact CB-CG 4.4Å; I220-W234 HydrophobicContact CB-CZ3 4.37Å; I220-W234 HydrophobicContact CG2-CD2 3.99Å; I220-W234 HydrophobicContact CG2-CE3 3.97Å; I220-W234 HydrophobicContact CG2-CH2 3.67Å; I220-W234 HydrophobicContact CG2-CZ2 3.68Å; I220-W234 HydrophobicContact CG2-CZ3 3.81Å; I220-F311 CarbonylContact O-C 3.57Å; I220-F311 VanDerWaalsContact O-CA 3.28Å; I220-F311 WeakPolarHBondContact O-CA 3.18Å; I220-S312 PolarHBondContact N-O 2.9Å; I220-S312 PolarHBondContact O-N 3.31Å |
| 221 | R | 94.7 | Very high | 90.2 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 134.8 | 172.6 | -81.4 | 174.6 | 173.8 | -124.4 | 11.6 | 110.3 | P229 D287 E296 F311 | R221-P229 WeakPolarHBondContact O-CG 3.42Å; R221-D287 IonicContact CZ-OD1 3.16Å; R221-D287 IonicContact NE-OD1 3.67Å; R221-D287 PolarHBondContact NE-OD1 3.05Å; R221-D287 IonicContact NE-OD2 2.84Å; R221-D287 PolarHBondContact NE-OD2 3.45Å; R221-D287 IonicContact NH2-OD1 2.71Å; R221-D287 PolarHBondContact NH2-OD1 3.38Å; R221-E296 IonicContact CZ-OE1 3.41Å; R221-E296 IonicContact CZ-OE2 3.5Å; R221-E296 IonicContact NH1-OE1 3.05Å; R221-E296 PolarHBondContact NH1-OE1 3.12Å; R221-E296 IonicContact NH1-OE2 2.8Å; R221-E296 PolarHBondContact NH1-OE2 2.94Å; R221-E296 IonicContact NH2-OE2 2.89Å; R221-E296 PolarHBondContact NH2-OE2 3.39Å; R221-F311 HydrophobicContact CB-CD1 4.4Å; R221-F311 HydrophobicContact CB-CE1 4.47Å; R221-F311 HydrophobicContact CG-CD1 3.73Å; R221-F311 HydrophobicContact CG-CE1 3.4Å |
| 222 | E | 95.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | trans | -90.4 | 134.8 | 176.3 | -64 | 177.9 | 160.9 | 0 | 0 | 110.9 | A225 G226 T310 S312 R327 G328 | E222-A225 WeakPolarHBondContact OE2-CA 3.49Å; E222-G226 PolarHBondContact OE2-N 3.44Å; E222-T310 PolarHBondContact N-O 3.01Å; E222-T310 WeakPolarHBondContact OE2-CB 3.37Å; E222-T310 PolarHBondContact OE2-OG1 2.9Å; E222-S312 PolarHBondContact OE1-N 3.25Å; E222-S312 PolarHBondContact OE1-OG 2.83Å; E222-R327 WeakPolarHBondContact OE1-CA 3.39Å; E222-G328 VanDerWaalsContact CD-N 3.32Å; E222-G328 PolarHBondContact OE1-N 3.49Å; E222-G328 WeakPolarHBondContact OE2-CA 3.31Å; E222-G328 PolarHBondContact OE2-N 3.38Å; E222-G328 VanDerWaalsContact OE2-N 3.07Å | ||
| 223 | T | 92.6 | Very high | 91.5 | Very high | 132 Ų | 132 | 59.2 Ų | 59.2 | 81% | 0.81 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -77.1 | -30.6 | 170.4 | -46 | 0 | 0 | 0 | 0 | 111.6 | ||
| 224 | V | 93.2 | Very high | 92.3 | Very high | 94 Ų | 94 | 55.7 Ų | 55.7 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | B | Isolated β-bridge | trans | -130.1 | 125 | 174.6 | 178.4 | 0 | 0 | 0 | 0 | 107.5 | G226 T227 | V224-G226 PolarHBondContact O-N 3.27Å; V224-T227 PolarHBondContact O-N 2.71Å |
| 225 | A | 91.7 | Very high | 92.6 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 126.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E222 T310 L353 | E222-A225 WeakPolarHBondContact OE2-CA 3.49Å; A225-T310 WeakPolarHBondContact CA-OG1 3.45Å; A225-T310 HydrophobicContact CB-CG2 4.07Å; A225-L353 HydrophobicContact CB-CD1 4.48Å |
| 226 | G | 92.6 | Very high | 92.7 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | -3.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | E222 V224 R327 | E222-G226 PolarHBondContact OE2-N 3.44Å; V224-G226 PolarHBondContact O-N 3.27Å; G226-R327 WeakPolarHBondContact O-CB 3.49Å; G226-R327 WeakPolarHBondContact O-CD 3.23Å |
| 227 | T | 94.2 | Very high | 92.7 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 52% | 0.521 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -114.6 | 117.2 | 175.3 | -55 | 0 | 0 | 0 | 0 | 110.6 | V224 P229 | V224-T227 PolarHBondContact O-N 2.71Å; T227-P229 WeakPolarHBondContact O-CD 3.39Å |
| 228 | T | 94.6 | Very high | 92.5 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | trans | -63.7 | 125.2 | 171.1 | -49.7 | 0 | 0 | 0 | 0 | 109.5 | I220 W234 S312 R327 | I220-T228 HydrophobicContact CG2-CG2 4.22Å; T228-W234 HydrophobicContact CG2-CH2 4.06Å; T228-W234 HydrophobicContact CG2-CZ2 3.65Å; T228-S312 WeakPolarHBondContact CA-OG 3.13Å; T228-S312 WeakPolarHBondContact CB-OG 3.4Å; T228-S312 PolarHBondContact OG1-OG 3.46Å; T228-R327 PolarHBondContact OG1-NE 3.31Å | ||
| 229 | P | 92.1 | Very high | 92.3 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | trans | -57.4 | 140.6 | 177 | -22.1 | 31 | 0 | 0 | 0 | 112 | I220 R221 T227 S231 | I220-P229 HydrophobicContact CD1-CB 4.27Å; I220-P229 HydrophobicContact CD1-CG 4.17Å; I220-P229 HydrophobicContact CG1-CG 4.35Å; R221-P229 WeakPolarHBondContact O-CG 3.42Å; T227-P229 WeakPolarHBondContact O-CD 3.39Å; P229-S231 VanDerWaalsContact C-N 3.25Å; P229-S231 PolarHBondContact O-N 2.71Å | ||
| 230 | A | 89.3 | Confident | 92.2 | Very high | 109 Ų | 109 | 57.9 Ų | 57.9 | 90% | 0.901 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -70.6 | -23.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 231 | S | 89 | Confident | 92.1 | Very high | 103 Ų | 103 | 60.2 Ų | 60.2 | 72% | 0.72 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -136.9 | 146.6 | 178 | 60 | 0 | 0 | 0 | 0 | 110.5 | P229 | P229-S231 VanDerWaalsContact C-N 3.25Å; P229-S231 PolarHBondContact O-N 2.71Å |
| 232 | G | 86 | Confident | 92.1 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 49% | 0.485 | 38% | 0.377 | S | S | . | . | trans | 142.1 | 157.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 233 | D | 89.9 | Confident | 92 | Very high | 128 Ų | 128 | 61.1 Ų | 61.1 | 68% | 0.684 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 124.2 | -179.2 | -64.4 | -35.1 | 0 | 0 | 0 | 109.9 | V370 | D233-V370 HydrophobicContact CB-CG2 3.81Š|
| 234 | W | 94 | Very high | 92.1 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 2% | 0.023 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 131.7 | 170.5 | -74.3 | 78.5 | 0 | 0 | 0 | 109.1 | A218 I220 T228 S312 A314 I365 P369 V370 | A218-W234 HydrophobicContact CB-CB 4.19Å; A218-W234 HydrophobicContact CB-CE3 3.98Å; I220-W234 HydrophobicContact CB-CD2 3.97Å; I220-W234 HydrophobicContact CB-CE3 4.05Å; I220-W234 HydrophobicContact CB-CG 4.4Å; I220-W234 HydrophobicContact CB-CZ3 4.37Å; I220-W234 HydrophobicContact CG2-CD2 3.99Å; I220-W234 HydrophobicContact CG2-CE3 3.97Å; I220-W234 HydrophobicContact CG2-CH2 3.67Å; I220-W234 HydrophobicContact CG2-CZ2 3.68Å; I220-W234 HydrophobicContact CG2-CZ3 3.81Å; T228-W234 HydrophobicContact CG2-CH2 4.06Å; T228-W234 HydrophobicContact CG2-CZ2 3.65Å; W234-S312 WeakPolarHBondContact CZ3-O 3.18Å; W234-A314 HydrophobicContact CE3-CB 4.32Å; W234-A314 HydrophobicContact CH2-CB 3.7Å; W234-A314 HydrophobicContact CZ3-CB 3.47Å; W234-A314 VanDerWaalsContact CZ3-CB 3.47Å; W234-I365 HydrophobicContact CB-CG2 3.79Å; W234-I365 HydrophobicContact CD2-CB 4.34Å; W234-I365 HydrophobicContact CD2-CG1 4.28Å; W234-I365 HydrophobicContact CD2-CG2 4.07Å; W234-I365 HydrophobicContact CE3-CG1 4.13Å; W234-I365 HydrophobicContact CG-CB 4.43Å; W234-I365 HydrophobicContact CG-CG2 3.69Å; W234-I365 HydrophobicContact CZ3-CG1 4.46Å; W234-P369 HydrophobicContact CB-CB 4.2Å; W234-P369 CarbonylContact O-C 3.58Å; W234-P369 WeakPolarHBondContact O-CA 3.33Å; W234-V370 PolarHBondContact O-N 3.48Å |
| 235 | S | 92.8 | Very high | 92.2 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 18% | 0.175 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 129.7 | 174.9 | -69.5 | 0 | 0 | 0 | 0 | 110.7 | A218 F219 L237 V370 | A218-S235 CarbonylContact C-O 3.47Å; A218-S235 WeakPolarHBondContact CA-O 3.33Å; A218-S235 WeakPolarHBondContact CB-O 3.49Å; F219-S235 WeakPolarHBondContact CD1-O 3.32Å; F219-S235 PolarHBondContact N-O 2.86Å; F219-S235 PolarHBondContact O-N 3.03Å; S235-L237 PolarHBondContact O-N 3.16Å; S235-V370 WeakPolarHBondContact CA-O 3.26Å |
| 236 | L | 92.5 | Very high | 92.3 | Very high | 39 Ų | 39 | 57 Ų | 57 | 20% | 0.204 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 129.2 | 179.5 | -176.7 | 66.9 | 0 | 0 | 0 | 111.1 | I216 K238 Q284 P369 V370 D371 | I216-L236 HydrophobicContact CG2-CD1 3.82Å; L236-K238 HydrophobicContact CD2-CG 4.3Å; L236-K238 HydrophobicContact CG-CG 4.4Å; L236-Q284 PolarHBondContact O-NE2 3.03Å; L236-P369 HydrophobicContact CB-CB 4.15Å; L236-P369 HydrophobicContact CD1-CB 4.42Å; L236-P369 HydrophobicContact CD1-CG 4.02Å; L236-V370 PolarHBondContact N-O 3.28Å; L236-D371 HydrophobicContact CD2-CB 4.23Å |
| 237 | L | 92 | Very high | 92.3 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | trans | -107.3 | 101.9 | 178.1 | -174.1 | 50.9 | 0 | 0 | 0 | 111.8 | S217 F219 S235 R239 W242 V276 T278 F288 | S217-L237 WeakPolarHBondContact O-CA 3.46Å; S217-L237 PolarHBondContact O-N 3.44Å; F219-L237 HydrophobicContact CD1-CB 4.03Å; F219-L237 HydrophobicContact CD1-CD2 4.46Å; F219-L237 HydrophobicContact CE1-CB 4.45Å; S235-L237 PolarHBondContact O-N 3.16Å; L237-R239 WeakPolarHBondContact O-CD 3.3Å; L237-R239 PolarHBondContact O-N 2.89Å; L237-R239 VanDerWaalsContact O-N 3.13Å; L237-W242 HydrophobicContact CD2-CZ3 4.04Å; L237-V276 HydrophobicContact CD2-CG1 4.22Å; L237-T278 HydrophobicContact CD1-CG2 4.1Å; L237-F288 HydrophobicContact CD1-CE2 3.79Å; L237-F288 HydrophobicContact CD1-CZ 4.19Å; L237-F288 HydrophobicContact CD2-CE2 4.41Å; L237-F288 HydrophobicContact CD2-CZ 4.11Å | ||
| 238 | K | 89.8 | Confident | 92.3 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 25% | 0.252 | 35% | 0.353 | S | S | . | . | trans | -85.5 | 87.2 | 178.8 | -69.8 | 178.3 | -177 | 150.8 | 0 | 111.2 | L236 R281 D371 | L236-K238 HydrophobicContact CD2-CG 4.3Å; L236-K238 HydrophobicContact CG-CG 4.4Å; K238-R281 PolarHBondContact O-NH1 2.81Å; K238-R281 VanDerWaalsContact O-NH1 3.1Å; K238-D371 WeakPolarHBondContact CE-OD1 3.49Å; K238-D371 IonicContact NZ-OD1 3.7Å; K238-D371 PolarHBondContact NZ-OD1 3.07Å; K238-D371 IonicContact NZ-OD2 3.89Å; K238-D371 PolarHBondContact NZ-OD2 2.97Å | ||
| 239 | R | 91.8 | Very high | 92.1 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 152.5 | 177.6 | 74.7 | -61.9 | -172.3 | -105.3 | 8.6 | 114.9 | V215 S217 L237 W242 V276 G277 T278 | V215-R239 PolarHBondContact O-NH2 3.38Å; S217-R239 PolarHBondContact OG-NE 3.42Å; L237-R239 WeakPolarHBondContact O-CD 3.3Å; L237-R239 PolarHBondContact O-N 2.89Å; L237-R239 VanDerWaalsContact O-N 3.13Å; R239-W242 HydrophobicContact CG-CE3 4.34Å; R239-V276 HydrophobicContact CB-CG1 3.76Å; R239-G277 CarbonylContact C-O 3.01Å; R239-G277 VanDerWaalsContact CA-O 3.28Å; R239-G277 WeakPolarHBondContact CA-O 3.31Å; R239-G277 WeakPolarHBondContact CB-O 3.29Å; R239-T278 HydrophobicContact CB-CG2 4.49Å |
| 240 | T | 91.3 | Very high | 92 | Very high | 89 Ų | 89 | 66.6 Ų | 66.6 | 55% | 0.546 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -26 | 165.3 | 53.9 | 0 | 0 | 0 | 0 | 112 | G277 K279 | T240-G277 PolarHBondContact N-O 3.19Å; T240-G277 PolarHBondContact OG1-O 2.96Å; T240-G277 VanDerWaalsContact OG1-O 3.09Å; T240-K279 HydrophobicContact CG2-CD 4.48Å; T240-K279 HydrophobicContact CG2-CG 3.84Å |
| 241 | S | 93.5 | Very high | 91.9 | Very high | 61 Ų | 61 | 63.2 Ų | 63.2 | 43% | 0.427 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 152.6 | 175 | 61.6 | 0 | 0 | 0 | 0 | 111 | G277 | S241-G277 PolarHBondContact N-O 3.19Å; S241-G277 PolarHBondContact O-N 3.43Å; S241-G277 WeakPolarHBondContact OG-CA 3.33Å; S241-G277 PolarHBondContact OG-N 3.18Å; S241-G277 VanDerWaalsContact OG-N 3.14Å |
| 242 | W | 94.6 | Very high | 91.7 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 28% | 0.28 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 105.8 | 175.7 | -170.7 | -87.8 | 0 | 0 | 0 | 110 | L237 R239 V244 V276 L313 T315 | L237-W242 HydrophobicContact CD2-CZ3 4.04Å; R239-W242 HydrophobicContact CG-CE3 4.34Å; W242-V244 HydrophobicContact CZ2-CB 4.09Å; W242-V244 HydrophobicContact CZ2-CG2 4.46Å; W242-V244 PolarHBondContact NE1-O 3.21Å; W242-V276 HydrophobicContact CD2-CG2 4.49Å; W242-V276 HydrophobicContact CE3-CG1 4.19Å; W242-V276 HydrophobicContact CE3-CG2 3.99Å; W242-V276 HydrophobicContact CZ3-CG1 4.38Å; W242-V276 HydrophobicContact CZ3-CG2 4.03Å; W242-L313 HydrophobicContact CH2-CB 4.07Å; W242-L313 HydrophobicContact CZ2-CB 4.45Å; W242-T315 HydrophobicContact CD2-CG2 3.91Å; W242-T315 VanDerWaalsContact CE2-CG2 3.49Å; W242-T315 HydrophobicContact CE3-CG2 4.23Å; W242-T315 HydrophobicContact CH2-CG2 3.73Å; W242-T315 HydrophobicContact CZ2-CG2 3.41Å; W242-T315 VanDerWaalsContact CZ2-CG2 3.41Å; W242-T315 HydrophobicContact CZ3-CG2 4.14Å |
| 243 | G | 94.2 | Very high | 91.6 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 33% | 0.33 | 35% | 0.35 | S | S | . | . | trans | -105.5 | -3.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K245 D275 | G243-K245 PolarHBondContact O-N 3.48Å; G243-D275 WeakPolarHBondContact CA-O 3.04Å; G243-D275 PolarHBondContact N-O 3.22Å | ||
| 244 | V | 95.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | trans | -76.1 | 114.6 | -176.3 | -170.7 | 0 | 0 | 0 | 0 | 110.1 | W242 G273 V276 V326 F350 | W242-V244 HydrophobicContact CZ2-CB 4.09Å; W242-V244 HydrophobicContact CZ2-CG2 4.46Å; W242-V244 PolarHBondContact NE1-O 3.21Å; V244-G273 WeakPolarHBondContact CA-O 3.29Å; V244-V276 HydrophobicContact CG2-CG2 3.44Å; V244-V276 VanDerWaalsContact CG2-CG2 3.44Å; V244-V326 HydrophobicContact CG1-CB 4.47Å; V244-V326 HydrophobicContact CG1-CG1 4.47Å; V244-V326 HydrophobicContact CG1-CG2 3.47Å; V244-V326 VanDerWaalsContact CG1-CG2 3.47Å; V244-F350 HydrophobicContact CG2-CB 4.35Å; V244-F350 HydrophobicContact CG2-CD2 4.08Å | ||
| 245 | K | 94.4 | Very high | 91 | Very high | 127 Ų | 127 | 73.1 Ų | 73.1 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 160.1 | -177.4 | 65.7 | -177.2 | 179.9 | 179.3 | 0 | 111.2 | G243 G273 | G243-K245 PolarHBondContact O-N 3.48Å; K245-G273 PolarHBondContact N-O 2.89Å; K245-G273 VanDerWaalsContact N-O 3.11Å; K245-G273 PolarHBondContact O-N 2.9Å; K245-G273 VanDerWaalsContact O-O 3.14Å |
| 246 | P | 94.5 | Very high | 90.4 | Very high | 49 Ų | 49 | 79.9 Ų | 79.9 | 32% | 0.318 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 132.8 | 166.7 | 30.3 | -33.4 | 0 | 0 | 0 | 109.8 | V270 D271 V272 W355 | P246-V270 HydrophobicContact CB-CG1 3.62Å; P246-D271 CarbonylContact C-O 3.54Å; P246-D271 WeakPolarHBondContact CA-O 3.42Å; P246-V272 HydrophobicContact CB-CG2 4.42Å; P246-W355 HydrophobicContact CB-CB 4.43Å; P246-W355 HydrophobicContact CB-CG 4.25Å; P246-W355 HydrophobicContact CG-CD2 4.05Å; P246-W355 HydrophobicContact CG-CG 3.89Å |
| 247 | T | 93 | Very high | 89.5 | Confident | 68 Ų | 68 | 80.1 Ų | 80.1 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 123.1 | 173.9 | -57.4 | 0 | 0 | 0 | 0 | 108.6 | V270 D271 | T247-V270 WeakPolarHBondContact O-CA 3.24Å; T247-D271 PolarHBondContact N-O 3.36Å; T247-D271 PolarHBondContact O-N 3.07Å |
| 248 | Q | 93.2 | Very high | 89 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 39% | 0.388 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 115.7 | 177.3 | -179 | 69.1 | 71.1 | 0 | 0 | 109.5 | P267 G268 T269 V270 | Q248-P267 HydrophobicContact CG-CB 4.45Å; Q248-G268 VanDerWaalsContact NE2-C 3.26Å; Q248-G268 PolarHBondContact NE2-O 2.79Å; Q248-T269 PolarHBondContact NE2-O 2.97Å; Q248-T269 VanDerWaalsContact NE2-O 3.07Å; Q248-V270 VanDerWaalsContact OE1-CG2 3.28Å |
| 249 | N | 89.9 | Confident | 88.8 | Confident | 60 Ų | 60 | 84.6 Ų | 84.6 | 32% | 0.321 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 140.5 | 170.2 | -67.2 | -23.8 | 0 | 0 | 0 | 109.3 | G268 T269 D271 | N249-G268 WeakPolarHBondContact O-CA 3.46Å; N249-G268 PolarHBondContact O-N 2.93Å; N249-T269 WeakPolarHBondContact CB-O 3.42Å; N249-T269 PolarHBondContact N-O 3.21Å; N249-T269 PolarHBondContact ND2-OG1 2.87Å; N249-D271 PolarHBondContact ND2-OD2 2.78Å; N249-D271 PolarHBondContact OD1-OD2 2.84Å |
| 250 | K | 91.5 | Very high | 88.6 | Confident | 157 Ų | 157 | 93.1 Ų | 93.1 | 68% | 0.683 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.3 | 177.8 | -64.3 | -176.1 | -176.8 | 178.4 | 0 | 109.4 | A265 T266 | K250-A265 HydrophobicContact CB-CB 4.49Å; K250-T266 WeakPolarHBondContact CA-O 3.33Å |
| 251 | G | 86.5 | Confident | 88.3 | Confident | 38 Ų | 38 | 95.7 Ų | 95.7 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A265 T266 | G251-A265 WeakPolarHBondContact O-CA 3.34Å; G251-A265 WeakPolarHBondContact O-CB 3.44Å; G251-T266 PolarHBondContact N-O 2.79Å; G251-T266 PolarHBondContact O-N 2.81Å |
| 252 | E | 85.6 | Confident | 87.6 | Confident | 165 Ų | 165 | 97.5 Ų | 97.5 | 77% | 0.771 | 54% | 0.537 | S | S | * | . | trans | -69 | 138 | 170.7 | -62.6 | -177.9 | 165.5 | 0 | 0 | 109.6 | ||||
| 253 | N | 83.1 | Confident | 87.1 | Confident | 50 Ų | 50 | 97.5 Ų | 97.5 | 27% | 0.267 | 54% | 0.54 | S | S | . | . | trans | -99.7 | 106.7 | 170.7 | -175.9 | -4.3 | 0 | 0 | 0 | 108.9 | E255 Q263 G264 | N253-E255 VanDerWaalsContact C-N 3.29Å; N253-E255 PolarHBondContact O-N 3.04Å; N253-E255 WeakPolarHBondContact OD1-CB 3.33Å; N253-E255 WeakPolarHBondContact OD1-CG 3.42Å; N253-E255 PolarHBondContact OD1-N 3.14Å; N253-Q263 HydrophobicContact CB-CB 4.18Å; N253-G264 WeakPolarHBondContact CB-O 3.28Å | ||
| 254 | N | 86.4 | Confident | 86.7 | Confident | 135 Ų | 135 | 98.7 Ų | 98.7 | 72% | 0.722 | 55% | 0.552 | S | S | * | * | trans | -91.3 | 15.7 | -178.6 | -66.3 | -12.9 | 0 | 0 | 0 | 113.1 | ||||
| 255 | E | 84.4 | Confident | 86.4 | Confident | 142 Ų | 142 | 101.4 Ų | 101.4 | 66% | 0.664 | 57% | 0.574 | S | S | * | * | trans | -70.4 | 144.9 | 175 | -68.7 | 174.7 | 171.8 | 0 | 0 | 112 | N253 Q263 | N253-E255 VanDerWaalsContact C-N 3.29Å; N253-E255 PolarHBondContact O-N 3.04Å; N253-E255 WeakPolarHBondContact OD1-CB 3.33Å; N253-E255 WeakPolarHBondContact OD1-CG 3.42Å; N253-E255 PolarHBondContact OD1-N 3.14Å; E255-Q263 WeakPolarHBondContact O-CG 3.49Å | ||
| 256 | I | 81.3 | Confident | 86.2 | Confident | 167 Ų | 167 | 99.6 Ų | 99.6 | 86% | 0.856 | 57% | 0.574 | S | S | * | * | trans | -100.1 | 102.7 | -179.6 | -58 | 175.8 | 0 | 0 | 0 | 108.7 | G258 | I256-G258 VanDerWaalsContact C-N 3.35Å; I256-G258 PolarHBondContact O-N 2.82Å | ||
| 257 | G | 73.8 | Confident | 86 | Confident | 44 Ų | 44 | 101.7 Ų | 101.7 | 45% | 0.454 | 59% | 0.588 | S | S | . | * | trans | -85 | 16.8 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117 | S259 | G257-S259 PolarHBondContact O-N 3.35Š| ||
| 258 | G | 82.1 | Confident | 85.8 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 84% | 0.835 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 66.6 | -16.8 | 176 | 0 | 0 | 0 | 0 | 0 | 117 | I256 | I256-G258 VanDerWaalsContact C-N 3.35Å; I256-G258 PolarHBondContact O-N 2.82Å |
| 259 | S | 85.6 | Confident | 85.8 | Confident | 74 Ų | 74 | 101.2 Ų | 101.2 | 52% | 0.517 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -98.3 | 168.3 | 169.2 | 73.7 | 0 | 0 | 0 | 0 | 110.9 | G257 M261 | G257-S259 PolarHBondContact O-N 3.35Å; S259-M261 PolarHBondContact O-N 2.98Å; S259-M261 PolarHBondContact OG-N 2.99Å |
| 260 | R | 86.3 | Confident | 85.9 | Confident | 258 Ų | 258 | 102 Ų | 102 | 97% | 0.974 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -76.9 | 10.5 | 174.9 | -68.8 | -170 | 174.7 | -166 | -1 | 114 | ||
| 261 | M | 85.5 | Confident | 86 | Confident | 143 Ų | 143 | 98.4 Ų | 98.4 | 70% | 0.704 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -93.2 | 135.5 | -178.1 | -57.7 | -59.4 | -67.8 | 0 | 0 | 110.5 | S259 Q263 | S259-M261 PolarHBondContact O-N 2.98Å; S259-M261 PolarHBondContact OG-N 2.99Å; M261-Q263 PolarHBondContact O-NE2 2.95Å |
| 262 | A | 79.7 | Confident | 86.4 | Confident | 98 Ų | 98 | 97.4 Ų | 97.4 | 81% | 0.81 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 143 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 263 | Q | 82.7 | Confident | 86.8 | Confident | 75 Ų | 75 | 90.4 Ų | 90.4 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 149.9 | 176.5 | -62.1 | -53.8 | -64.4 | 0 | 0 | 111.1 | N253 E255 M261 | N253-Q263 HydrophobicContact CB-CB 4.18Å; E255-Q263 WeakPolarHBondContact O-CG 3.49Å; M261-Q263 PolarHBondContact O-NE2 2.95Å |
| 264 | G | 86.9 | Confident | 87.4 | Confident | 56 Ų | 56 | 89.1 Ų | 89.1 | 58% | 0.577 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 139.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N253 | N253-G264 WeakPolarHBondContact CB-O 3.28Š|
| 265 | A | 88.1 | Confident | 87.8 | Confident | 59 Ų | 59 | 86.4 Ų | 86.4 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 149.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | K250 G251 | K250-A265 HydrophobicContact CB-CB 4.49Å; G251-A265 WeakPolarHBondContact O-CA 3.34Å; G251-A265 WeakPolarHBondContact O-CB 3.44Å |
| 266 | T | 90.3 | Very high | 88.4 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 129.7 | 176.9 | -50 | 0 | 0 | 0 | 0 | 110.3 | K250 G251 G268 | K250-T266 WeakPolarHBondContact CA-O 3.33Å; G251-T266 PolarHBondContact N-O 2.79Å; G251-T266 PolarHBondContact O-N 2.81Å; T266-G268 PolarHBondContact O-N 2.77Å |
| 267 | P | 90.1 | Very high | 89 | Confident | 92 Ų | 92 | 72 Ų | 72 | 60% | 0.597 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 131.2 | 171.7 | 29.5 | -33.1 | 0 | 0 | 0 | 110.3 | Q248 | Q248-P267 HydrophobicContact CG-CB 4.45Å |
| 268 | G | 89.8 | Confident | 89.9 | Confident | 48 Ų | 48 | 69.9 Ų | 69.9 | 50% | 0.495 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -140.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q248 N249 T266 | Q248-G268 VanDerWaalsContact NE2-C 3.26Å; Q248-G268 PolarHBondContact NE2-O 2.79Å; N249-G268 WeakPolarHBondContact O-CA 3.46Å; N249-G268 PolarHBondContact O-N 2.93Å; T266-G268 PolarHBondContact O-N 2.77Å |
| 269 | T | 91.5 | Very high | 90.2 | Very high | 93 Ų | 93 | 68.7 Ų | 68.7 | 57% | 0.571 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 162.3 | 174.2 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | Q248 N249 | Q248-T269 PolarHBondContact NE2-O 2.97Å; Q248-T269 VanDerWaalsContact NE2-O 3.07Å; N249-T269 WeakPolarHBondContact CB-O 3.42Å; N249-T269 PolarHBondContact N-O 3.21Å; N249-T269 PolarHBondContact ND2-OG1 2.87Å |
| 270 | V | 93 | Very high | 90.3 | Very high | 76 Ų | 76 | 67.1 Ų | 67.1 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.1 | 170.5 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | P246 T247 Q248 V272 | P246-V270 HydrophobicContact CB-CG1 3.62Å; T247-V270 WeakPolarHBondContact O-CA 3.24Å; Q248-V270 VanDerWaalsContact OE1-CG2 3.28Å; V270-V272 HydrophobicContact CG1-CG2 4.48Å |
| 271 | D | 92.9 | Very high | 90.2 | Very high | 83 Ų | 83 | 56.1 Ų | 56.1 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.6 | 173 | -62.7 | -28.4 | 0 | 0 | 0 | 109.1 | P246 T247 N249 | P246-D271 CarbonylContact C-O 3.54Å; P246-D271 WeakPolarHBondContact CA-O 3.42Å; T247-D271 PolarHBondContact N-O 3.36Å; T247-D271 PolarHBondContact O-N 3.07Å; N249-D271 PolarHBondContact ND2-OD2 2.78Å; N249-D271 PolarHBondContact OD1-OD2 2.84Å |
| 272 | V | 94.6 | Very high | 90 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 10% | 0.097 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.8 | 178.3 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | P246 V270 V326 G352 W355 | P246-V272 HydrophobicContact CB-CG2 4.42Å; V270-V272 HydrophobicContact CG1-CG2 4.48Å; V272-V326 HydrophobicContact CG1-CB 4.45Å; V272-V326 HydrophobicContact CG1-CG1 3.65Å; V272-V326 HydrophobicContact CG1-CG2 4.19Å; V272-G352 PolarHBondContact O-N 3.35Å; V272-W355 HydrophobicContact CG1-CB 3.98Å; V272-W355 HydrophobicContact CG1-CE3 4.26Å; V272-W355 HydrophobicContact CG2-CB 3.77Å |
| 273 | G | 94.2 | Very high | 90.1 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 19% | 0.186 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | -176.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V244 K245 F350 | V244-G273 WeakPolarHBondContact CA-O 3.29Å; K245-G273 PolarHBondContact N-O 2.89Å; K245-G273 VanDerWaalsContact N-O 3.11Å; K245-G273 PolarHBondContact O-N 2.9Å; K245-G273 VanDerWaalsContact O-O 3.14Å; G273-F350 CarbonylContact C-O 3.58Å; G273-F350 WeakPolarHBondContact CA-O 3.26Å |
| 274 | G | 95.7 | Very high | 90.2 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 24% | 0.237 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.9 | -176.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | F350 | G274-F350 PolarHBondContact N-O 2.94Å; G274-F350 PolarHBondContact O-N 3.08Å |
| 275 | D | 96.2 | Very high | 90.3 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 42% | 0.417 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 139.5 | -174.2 | -66.6 | -28.3 | 0 | 0 | 0 | 112.3 | G243 T347 V348 T349 | G243-D275 WeakPolarHBondContact CA-O 3.04Å; G243-D275 PolarHBondContact N-O 3.22Å; D275-T347 HydrophobicContact CB-CG2 3.87Å; D275-V348 CarbonylContact C-O 3.59Å; D275-V348 WeakPolarHBondContact CA-O 3.33Å; D275-T349 WeakPolarHBondContact OD1-CA 3.48Å; D275-T349 WeakPolarHBondContact OD1-CB 2.97Å; D275-T349 VanDerWaalsContact OD1-CG2 3.3Å; D275-T349 WeakPolarHBondContact OD1-CG2 3.46Å; D275-T349 PolarHBondContact OD1-OG1 3.09Å |
| 276 | V | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 115 | 166.3 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | L237 R239 W242 V244 T278 T347 V348 F350 | L237-V276 HydrophobicContact CD2-CG1 4.22Å; R239-V276 HydrophobicContact CB-CG1 3.76Å; W242-V276 HydrophobicContact CD2-CG2 4.49Å; W242-V276 HydrophobicContact CE3-CG1 4.19Å; W242-V276 HydrophobicContact CE3-CG2 3.99Å; W242-V276 HydrophobicContact CZ3-CG1 4.38Å; W242-V276 HydrophobicContact CZ3-CG2 4.03Å; V244-V276 HydrophobicContact CG2-CG2 3.44Å; V244-V276 VanDerWaalsContact CG2-CG2 3.44Å; V276-T278 HydrophobicContact CG1-CG2 4Å; V276-T347 WeakPolarHBondContact O-CA 3.49Å; V276-V348 PolarHBondContact N-O 3.33Å; V276-V348 PolarHBondContact O-N 2.93Å; V276-F350 HydrophobicContact CB-CD2 4.48Å; V276-F350 HydrophobicContact CB-CE2 4.12Å; V276-F350 HydrophobicContact CG2-CD2 3.83Å; V276-F350 HydrophobicContact CG2-CE2 3.77Å |
| 277 | G | 94.2 | Very high | 90.5 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R239 T240 S241 | R239-G277 CarbonylContact C-O 3.01Å; R239-G277 VanDerWaalsContact CA-O 3.28Å; R239-G277 WeakPolarHBondContact CA-O 3.31Å; R239-G277 WeakPolarHBondContact CB-O 3.29Å; T240-G277 PolarHBondContact N-O 3.19Å; T240-G277 PolarHBondContact OG1-O 2.96Å; T240-G277 VanDerWaalsContact OG1-O 3.09Å; S241-G277 PolarHBondContact N-O 3.19Å; S241-G277 PolarHBondContact O-N 3.43Å; S241-G277 WeakPolarHBondContact OG-CA 3.33Å; S241-G277 PolarHBondContact OG-N 3.18Å; S241-G277 VanDerWaalsContact OG-N 3.14Å |
| 278 | T | 92 | Very high | 90.7 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 159.8 | 179.6 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | L237 R239 V276 H285 T345 A346 | L237-T278 HydrophobicContact CD1-CG2 4.1Å; R239-T278 HydrophobicContact CB-CG2 4.49Å; V276-T278 HydrophobicContact CG1-CG2 4Å; T278-H285 PolarHBondContact OG1-NE2 3.07Å; T278-T345 WeakPolarHBondContact O-CA 3.14Å; T278-A346 WeakPolarHBondContact CA-O 3.49Å; T278-A346 PolarHBondContact N-O 3.05Å; T278-A346 PolarHBondContact O-N 3.36Å; T278-A346 PolarHBondContact OG1-O 3.24Å |
| 279 | K | 90.2 | Very high | 90.8 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 24% | 0.243 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 137.2 | 163.3 | -66 | -171.6 | 170.5 | -168.6 | 0 | 108.4 | T240 R281 H285 D343 | T240-K279 HydrophobicContact CG2-CD 4.48Å; T240-K279 HydrophobicContact CG2-CG 3.84Å; K279-R281 PolarHBondContact O-N 3.34Å; K279-R281 PolarHBondContact O-NH1 3.35Å; K279-H285 PolarHBondContact O-CE1 3.41Å; K279-D343 HydrophobicContact CD-CB 3.98Å; K279-D343 VanDerWaalsContact CD-OD2 3.3Å; K279-D343 WeakPolarHBondContact CD-OD2 3.2Å; K279-D343 WeakPolarHBondContact CE-OD2 3.18Å; K279-D343 HydrophobicContact CG-CB 4.46Å; K279-D343 IonicContact NZ-OD2 2.71Å; K279-D343 PolarHBondContact NZ-OD2 2.97Å |
| 280 | F | 87.2 | Confident | 90.9 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 18% | 0.18 | 19% | 0.194 | C | C | . | . | trans | -68.2 | 129.1 | -176.2 | -166.2 | -112.3 | 0 | 0 | 0 | 110.6 | H285 W334 I344 A346 Y378 | F280-H285 AromaticContact CD2-ND1 3.84Å; F280-H285 HydrophobicContact CE2-CB 4.38Å; F280-W334 HydrophobicContact CD2-CZ2 4.02Å; F280-W334 HydrophobicContact CE2-CH2 4.07Å; F280-W334 AromaticContact CE2-CZ2 3.71Å; F280-W334 HydrophobicContact CE2-CZ2 3.71Å; F280-I344 HydrophobicContact CB-CB 3.89Å; F280-I344 HydrophobicContact CB-CG2 3.63Å; F280-I344 HydrophobicContact CD1-CG2 4.33Å; F280-I344 HydrophobicContact CG-CG2 4.13Å; F280-I344 PolarHBondContact N-O 3.48Å; F280-A346 HydrophobicContact CD2-CB 4.18Å; F280-Y378 AromaticContact CD1-CD2 3.42Å; F280-Y378 HydrophobicContact CD1-CD2 3.42Å; F280-Y378 VanDerWaalsContact CD1-CD2 3.42Å; F280-Y378 HydrophobicContact CD1-CE2 4.08Å; F280-Y378 HydrophobicContact CD1-CG 4.11Å; F280-Y378 AromaticContact CE1-CD2 3.8Å; F280-Y378 HydrophobicContact CE1-CD2 3.8Å; F280-Y378 AromaticContact CE1-CE2 3.99Å; F280-Y378 HydrophobicContact CE1-CE2 3.99Å; F280-Y378 HydrophobicContact CG-CD2 4.41Å; F280-Y378 PolarHBondContact O-N 2.94Å; F280-Y378 VanDerWaalsContact O-N 3.15Å | ||
| 281 | R | 84.6 | Confident | 91 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 10% | 0.098 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -136.7 | 148.4 | -177.6 | -67.4 | -173.5 | -173.7 | 80.2 | 0.2 | 109.2 | K238 K279 G283 Q284 R377 | K238-R281 PolarHBondContact O-NH1 2.81Å; K238-R281 VanDerWaalsContact O-NH1 3.1Å; K279-R281 PolarHBondContact O-N 3.34Å; K279-R281 PolarHBondContact O-NH1 3.35Å; R281-G283 PolarHBondContact O-N 3.49Å; R281-Q284 HydrophobicContact CB-CB 4.15Å; R281-Q284 VanDerWaalsContact NH1-OE1 3.13Å; R281-R377 HydrophobicContact CG-CG 4.22Å |
| 282 | W | 81 | Confident | 91.1 | Very high | 176 Ų | 176 | 31 Ų | 31 | 67% | 0.667 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 124 | 178.1 | -174.2 | 74.8 | 0 | 0 | 0 | 110.5 | Q284 A373 Y378 | W282-Q284 VanDerWaalsContact C-N 3.3Å; W282-Q284 PolarHBondContact O-N 3.19Å; W282-A373 WeakPolarHBondContact O-CB 3.34Å; W282-Y378 HydrophobicContact CB-CE2 3.74Å; W282-Y378 WeakPolarHBondContact CB-OH 3.48Å |
| 283 | G | 82.2 | Confident | 91 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 27% | 0.268 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | R281 | R281-G283 PolarHBondContact O-N 3.49Š|
| 284 | Q | 84.3 | Confident | 91 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -29.2 | -180 | -178.5 | 165.4 | 46.4 | 0 | 0 | 112.8 | L236 R281 W282 A373 | L236-Q284 PolarHBondContact O-NE2 3.03Å; R281-Q284 HydrophobicContact CB-CB 4.15Å; R281-Q284 VanDerWaalsContact NH1-OE1 3.13Å; W282-Q284 VanDerWaalsContact C-N 3.3Å; W282-Q284 PolarHBondContact O-N 3.19Å; Q284-A373 HydrophobicContact CB-CB 3.95Å |
| 285 | H | 88.3 | Confident | 90.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -103.7 | -5.3 | -169.6 | -60.5 | 92.9 | 0 | 0 | 0 | 113.7 | T278 K279 F280 D287 F288 L289 | T278-H285 PolarHBondContact OG1-NE2 3.07Å; K279-H285 PolarHBondContact O-CE1 3.41Å; F280-H285 AromaticContact CD2-ND1 3.84Å; F280-H285 HydrophobicContact CE2-CB 4.38Å; H285-D287 VanDerWaalsContact C-N 3.28Å; H285-D287 PolarHBondContact O-N 3.5Å; H285-F288 WeakPolarHBondContact O-CA 3.41Å; H285-F288 WeakPolarHBondContact O-CB 3.5Å; H285-F288 PolarHBondContact O-N 3.2Å; H285-L289 PolarHBondContact O-N 3.33Å |
| 286 | D | 90.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 31% | 0.31 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.4 | -39.3 | -172.7 | -61 | 5 | 0 | 0 | 0 | 111.4 | F288 L289 A290 W297 | D286-F288 PolarHBondContact O-N 3.48Å; D286-L289 WeakPolarHBondContact O-CB 3.44Å; D286-L289 PolarHBondContact O-N 2.99Å; D286-A290 PolarHBondContact O-N 3.37Å; D286-W297 HydrophobicContact CB-CZ2 4.5Å; D286-W297 PolarHBondContact O-NE1 2.97Å |
| 287 | D | 92.3 | Very high | 90.7 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 23% | 0.23 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 173.7 | -79.1 | -8.3 | 0 | 0 | 0 | 112.4 | F219 R221 H285 L289 A290 S291 F311 | F219-D287 HydrophobicContact CE2-CB 3.98Å; R221-D287 IonicContact CZ-OD1 3.16Å; R221-D287 IonicContact NE-OD1 3.67Å; R221-D287 PolarHBondContact NE-OD1 3.05Å; R221-D287 IonicContact NE-OD2 2.84Å; R221-D287 PolarHBondContact NE-OD2 3.45Å; R221-D287 IonicContact NH2-OD1 2.71Å; R221-D287 PolarHBondContact NH2-OD1 3.38Å; H285-D287 VanDerWaalsContact C-N 3.28Å; H285-D287 PolarHBondContact O-N 3.5Å; D287-L289 VanDerWaalsContact C-N 3.31Å; D287-L289 PolarHBondContact O-N 3.44Å; D287-A290 WeakPolarHBondContact O-CB 3.31Å; D287-A290 PolarHBondContact O-N 2.89Å; D287-S291 PolarHBondContact O-N 3.34Å; D287-F311 HydrophobicContact CB-CE1 3.93Å; D287-F311 HydrophobicContact CB-CZ 4.13Å; D287-F311 WeakPolarHBondContact O-CZ 3.39Å |
| 288 | F | 93.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.7 | -33.2 | 177.2 | -57.7 | -38 | 0 | 0 | 0 | 112 | F219 L237 H285 D286 S291 C292 F311 V331 V348 F350 | F219-F288 HydrophobicContact CD1-CE1 4.36Å; F219-F288 AromaticContact CD1-CZ 3.68Å; F219-F288 HydrophobicContact CD1-CZ 3.68Å; F219-F288 AromaticContact CD2-CE1 3.84Å; F219-F288 HydrophobicContact CD2-CE1 3.84Å; F219-F288 AromaticContact CD2-CZ 3.97Å; F219-F288 HydrophobicContact CD2-CZ 3.97Å; F219-F288 HydrophobicContact CE1-CE1 4.48Å; F219-F288 HydrophobicContact CE1-CE2 4.2Å; F219-F288 AromaticContact CE1-CZ 3.69Å; F219-F288 HydrophobicContact CE1-CZ 3.69Å; F219-F288 AromaticContact CE2-CE1 3.99Å; F219-F288 HydrophobicContact CE2-CE1 3.99Å; F219-F288 AromaticContact CE2-CZ 4Å; F219-F288 HydrophobicContact CE2-CZ 4Å; F219-F288 HydrophobicContact CG-CE1 4.03Å; F219-F288 AromaticContact CG-CZ 3.8Å; F219-F288 HydrophobicContact CG-CZ 3.8Å; F219-F288 HydrophobicContact CZ-CE1 4.3Å; F219-F288 HydrophobicContact CZ-CE2 4.34Å; F219-F288 AromaticContact CZ-CZ 3.85Å; F219-F288 HydrophobicContact CZ-CZ 3.85Å; L237-F288 HydrophobicContact CD1-CE2 3.79Å; L237-F288 HydrophobicContact CD1-CZ 4.19Å; L237-F288 HydrophobicContact CD2-CE2 4.41Å; L237-F288 HydrophobicContact CD2-CZ 4.11Å; H285-F288 WeakPolarHBondContact O-CA 3.41Å; H285-F288 WeakPolarHBondContact O-CB 3.5Å; H285-F288 PolarHBondContact O-N 3.2Å; D286-F288 PolarHBondContact O-N 3.48Å; F288-S291 PolarHBondContact O-N 3.49Å; F288-C292 WeakPolarHBondContact O-CB 3.37Å; F288-C292 PolarHBondContact O-N 2.95Å; F288-F311 HydrophobicContact CD1-CD2 4.21Å; F288-F311 AromaticContact CD1-CE2 3.85Å; F288-F311 HydrophobicContact CD1-CE2 3.85Å; F288-F311 HydrophobicContact CD1-CZ 4.07Å; F288-F311 HydrophobicContact CE1-CD2 4.27Å; F288-F311 HydrophobicContact CE1-CE2 4.32Å; F288-F311 HydrophobicContact CE1-CG 4.44Å; F288-V331 HydrophobicContact CB-CG2 3.99Å; F288-V331 HydrophobicContact CD1-CG2 4.17Å; F288-V331 HydrophobicContact CG-CG2 4.42Å; F288-V348 HydrophobicContact CB-CG1 4.22Å; F288-V348 HydrophobicContact CD2-CG2 4.15Å; F288-V348 HydrophobicContact CG-CG1 4.32Å; F288-F350 AromaticContact CD1-CE1 3.95Å; F288-F350 HydrophobicContact CD1-CE1 3.95Å; F288-F350 AromaticContact CD1-CZ 3.77Å; F288-F350 HydrophobicContact CD1-CZ 3.77Å; F288-F350 AromaticContact CE1-CE1 3.95Å; F288-F350 HydrophobicContact CE1-CE1 3.95Å; F288-F350 AromaticContact CE1-CZ 3.6Å; F288-F350 HydrophobicContact CE1-CZ 3.6Å; F288-F350 HydrophobicContact CE2-CZ 4.44Å; F288-F350 HydrophobicContact CG-CZ 4.29Å; F288-F350 AromaticContact CZ-CZ 3.96Å; F288-F350 HydrophobicContact CZ-CZ 3.96Å |
| 289 | L | 92.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -43.9 | 172.1 | -69.9 | 170.3 | 0 | 0 | 0 | 110.8 | H285 D286 D287 S291 C292 F293 W297 L302 W334 | H285-L289 PolarHBondContact O-N 3.33Å; D286-L289 WeakPolarHBondContact O-CB 3.44Å; D286-L289 PolarHBondContact O-N 2.99Å; D287-L289 VanDerWaalsContact C-N 3.31Å; D287-L289 PolarHBondContact O-N 3.44Å; L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 2.91Å; L289-C292 PolarHBondContact O-N 2.88Å; L289-C292 VanDerWaalsContact O-N 3.11Å; L289-F293 HydrophobicContact CD2-CE2 4.34Å; L289-F293 VanDerWaalsContact O-CD2 3.3Å; L289-F293 WeakPolarHBondContact O-CD2 3.45Å; L289-F293 PolarHBondContact O-N 3.19Å; L289-W297 HydrophobicContact CB-CZ2 3.98Å; L289-W297 HydrophobicContact CD1-CZ2 3.92Å; L289-L302 HydrophobicContact CB-CD2 3.86Å; L289-W334 HydrophobicContact CD2-CD2 3.79Å; L289-W334 HydrophobicContact CD2-CE3 3.95Å; L289-W334 HydrophobicContact CD2-CG 4.15Å; L289-W334 HydrophobicContact CD2-CH2 4.35Å; L289-W334 HydrophobicContact CD2-CZ2 4.28Å; L289-W334 HydrophobicContact CD2-CZ3 4.22Å |
| 290 | A | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D286 D287 C292 F293 G294 A295 I309 | D286-A290 PolarHBondContact O-N 3.37Å; D287-A290 WeakPolarHBondContact O-CB 3.31Å; D287-A290 PolarHBondContact O-N 2.89Å; A290-C292 PolarHBondContact O-N 3.42Å; A290-F293 PolarHBondContact O-N 3.44Å; A290-G294 WeakPolarHBondContact O-CA 3.36Å; A290-G294 PolarHBondContact O-N 2.95Å; A290-A295 CarbonylContact C-O 3.56Å; A290-A295 WeakPolarHBondContact CA-O 3.26Å; A290-A295 VanDerWaalsContact CB-O 3.26Å; A290-A295 WeakPolarHBondContact CB-O 3.23Å; A290-A295 PolarHBondContact O-N 3.19Å; A290-A295 VanDerWaalsContact O-N 3.15Å; A290-I309 HydrophobicContact CB-CD1 4Å |
| 291 | S | 95 | Very high | 90.7 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 114 | D287 F288 L289 I309 F311 V331 | D287-S291 PolarHBondContact O-N 3.34Å; F288-S291 PolarHBondContact O-N 3.49Å; L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 2.91Å; S291-I309 WeakPolarHBondContact CB-O 3.37Å; S291-I309 PolarHBondContact OG-O 3.38Å; S291-F311 VanDerWaalsContact CB-CE2 3.42Å; S291-V331 PolarHBondContact OG-N 3.36Å |
| 292 | C | 93.7 | Very high | 91 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.7 | -36.3 | 178.2 | -169.9 | 0 | 0 | 0 | 0 | 112.6 | F288 L289 A290 V331 W334 | F288-C292 WeakPolarHBondContact O-CB 3.37Å; F288-C292 PolarHBondContact O-N 2.95Å; L289-C292 PolarHBondContact O-N 2.88Å; L289-C292 VanDerWaalsContact O-N 3.11Å; A290-C292 PolarHBondContact O-N 3.42Å; C292-V331 HydrophobicContact CB-CB 4.33Å; C292-V331 HydrophobicContact CB-CG1 3.85Å; C292-W334 HydrophobicContact CB-CB 4.42Å |
| 293 | F | 93.3 | Very high | 91.5 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 25% | 0.25 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -89.6 | -11.7 | 179.1 | -77.7 | -110.1 | 0 | 0 | 0 | 112.8 | L289 A290 A295 L302 M304 G305 | L289-F293 HydrophobicContact CD2-CE2 4.34Å; L289-F293 VanDerWaalsContact O-CD2 3.3Å; L289-F293 WeakPolarHBondContact O-CD2 3.45Å; L289-F293 PolarHBondContact O-N 3.19Å; A290-F293 PolarHBondContact O-N 3.44Å; F293-A295 VanDerWaalsContact C-N 3.35Å; F293-L302 HydrophobicContact CB-CD1 4.23Å; F293-L302 HydrophobicContact CB-CD2 3.88Å; F293-L302 HydrophobicContact CB-CG 3.97Å; F293-L302 HydrophobicContact CD1-CD2 4.17Å; F293-L302 HydrophobicContact CD1-CG 4.22Å; F293-L302 HydrophobicContact CD2-CD2 3.51Å; F293-L302 HydrophobicContact CD2-CG 4.37Å; F293-L302 HydrophobicContact CE2-CD2 4.05Å; F293-L302 HydrophobicContact CG-CD2 3.59Å; F293-L302 HydrophobicContact CG-CG 3.95Å; F293-M304 HydrophobicContact CB-SD 4.41Å; F293-M304 HydrophobicContact CD1-CE 3.46Å; F293-M304 VanDerWaalsContact CD1-CE 3.46Å; F293-M304 HydrophobicContact CD1-CG 4.39Å; F293-M304 HydrophobicContact CD1-SD 3.32Å; F293-M304 WeakPolarHBondContact CD1-SD 3.45Å; F293-M304 HydrophobicContact CE1-CE 3.26Å; F293-M304 HydrophobicContact CE1-SD 3.84Å; F293-M304 HydrophobicContact CG-SD 4.11Å; F293-M304 HydrophobicContact CZ-CE 4.22Å; F293-G305 PolarHBondContact O-N 2.95Å |
| 294 | G | 93.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 33.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | A290 G305 N306 E307 | A290-G294 WeakPolarHBondContact O-CA 3.36Å; A290-G294 PolarHBondContact O-N 2.95Å; G294-G305 CarbonylContact O-C 3.53Å; G294-G305 WeakPolarHBondContact O-CA 3.28Å; G294-N306 PolarHBondContact O-N 3.26Å; G294-N306 VanDerWaalsContact O-N 3.08Å; G294-E307 WeakPolarHBondContact CA-O 3.24Å; G294-E307 VanDerWaalsContact O-CB 3.32Å; G294-E307 WeakPolarHBondContact O-CB 3.11Å; G294-E307 PolarHBondContact O-N 2.92Å |
| 295 | A | 94.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 53 Ų | 53 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -152.5 | 151.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | A290 F293 L302 T303 | A290-A295 CarbonylContact C-O 3.56Å; A290-A295 WeakPolarHBondContact CA-O 3.26Å; A290-A295 VanDerWaalsContact CB-O 3.26Å; A290-A295 WeakPolarHBondContact CB-O 3.23Å; A290-A295 PolarHBondContact O-N 3.19Å; A290-A295 VanDerWaalsContact O-N 3.15Å; F293-A295 VanDerWaalsContact C-N 3.35Å; A295-L302 HydrophobicContact CB-CD1 4.49Å; A295-L302 VanDerWaalsContact O-CD1 3.28Å; A295-L302 WeakPolarHBondContact O-CD1 3.46Å; A295-T303 WeakPolarHBondContact CB-O 3.48Å |
| 296 | E | 94.3 | Very high | 92.7 | Very high | 86 Ų | 86 | 61.3 Ų | 61.3 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | trans | -73.8 | 153.4 | 169.5 | -63.6 | -61.4 | 171.1 | 0 | 0 | 113.2 | R221 | R221-E296 IonicContact CZ-OE1 3.41Å; R221-E296 IonicContact CZ-OE2 3.5Å; R221-E296 IonicContact NH1-OE1 3.05Å; R221-E296 PolarHBondContact NH1-OE1 3.12Å; R221-E296 IonicContact NH1-OE2 2.8Å; R221-E296 PolarHBondContact NH1-OE2 2.94Å; R221-E296 IonicContact NH2-OE2 2.89Å; R221-E296 PolarHBondContact NH2-OE2 3.39Å | ||
| 297 | W | 93.1 | Very high | 92.8 | Very high | 89 Ų | 89 | 63.6 Ų | 63.6 | 34% | 0.337 | 37% | 0.367 | S | S | . | . | trans | -66.7 | 136.4 | 169.9 | -70.9 | 88.5 | 0 | 0 | 0 | 111 | D286 L289 L302 | D286-W297 HydrophobicContact CB-CZ2 4.5Å; D286-W297 PolarHBondContact O-NE1 2.97Å; L289-W297 HydrophobicContact CB-CZ2 3.98Å; L289-W297 HydrophobicContact CD1-CZ2 3.92Å; W297-L302 HydrophobicContact CD2-CB 3.95Å; W297-L302 HydrophobicContact CD2-CD1 4.29Å; W297-L302 HydrophobicContact CE3-CB 3.76Å; W297-L302 HydrophobicContact CG-CD1 4.38Å; W297-L302 HydrophobicContact CH2-CB 3.8Å; W297-L302 HydrophobicContact CH2-CD2 4.22Å; W297-L302 HydrophobicContact CZ2-CB 3.99Å; W297-L302 HydrophobicContact CZ2-CD2 3.71Å; W297-L302 HydrophobicContact CZ2-CG 4.38Å; W297-L302 HydrophobicContact CZ3-CB 3.68Å | ||
| 298 | S | 93.5 | Very high | 92.9 | Very high | 98 Ų | 98 | 68.3 Ų | 68.3 | 69% | 0.685 | 38% | 0.382 | S | S | * | . | B | Isolated β-bridge | trans | -116.8 | 98.1 | 168.1 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | D300 S301 | S298-D300 PolarHBondContact O-N 3.31Å; S298-S301 PolarHBondContact N-O 3.35Å; S298-S301 PolarHBondContact O-N 3.37Å; S298-S301 VanDerWaalsContact O-N 3.16Å |
| 299 | G | 90.6 | Very high | 92.9 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 68% | 0.68 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | -128.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | S301 | G299-S301 VanDerWaalsContact C-N 3.31Å; G299-S301 PolarHBondContact O-N 2.91Å |
| 300 | D | 88.4 | Confident | 93.1 | Very high | 168 Ų | 168 | 68 Ų | 68 | 90% | 0.898 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 12.1 | 179.6 | -58 | -38 | 0 | 0 | 0 | 113.7 | S298 | S298-D300 PolarHBondContact O-N 3.31Š|
| 301 | S | 90.5 | Very high | 93.2 | Very high | 69 Ų | 69 | 68 Ų | 68 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -112.2 | 125.6 | -177.1 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | S298 G299 | S298-S301 PolarHBondContact N-O 3.35Å; S298-S301 PolarHBondContact O-N 3.37Å; S298-S301 VanDerWaalsContact O-N 3.16Å; G299-S301 VanDerWaalsContact C-N 3.31Å; G299-S301 PolarHBondContact O-N 2.91Å |
| 302 | L | 91 | Very high | 93.3 | Very high | 33 Ų | 33 | 67.9 Ų | 67.9 | 17% | 0.173 | 38% | 0.379 | C | S | . | . | trans | -112.7 | 126.1 | 170.2 | -175.8 | 63.9 | 0 | 0 | 0 | 109.6 | L289 F293 A295 W297 | L289-L302 HydrophobicContact CB-CD2 3.86Å; F293-L302 HydrophobicContact CB-CD1 4.23Å; F293-L302 HydrophobicContact CB-CD2 3.88Å; F293-L302 HydrophobicContact CB-CG 3.97Å; F293-L302 HydrophobicContact CD1-CD2 4.17Å; F293-L302 HydrophobicContact CD1-CG 4.22Å; F293-L302 HydrophobicContact CD2-CD2 3.51Å; F293-L302 HydrophobicContact CD2-CG 4.37Å; F293-L302 HydrophobicContact CE2-CD2 4.05Å; F293-L302 HydrophobicContact CG-CD2 3.59Å; F293-L302 HydrophobicContact CG-CG 3.95Å; A295-L302 HydrophobicContact CB-CD1 4.49Å; A295-L302 VanDerWaalsContact O-CD1 3.28Å; A295-L302 WeakPolarHBondContact O-CD1 3.46Å; W297-L302 HydrophobicContact CD2-CB 3.95Å; W297-L302 HydrophobicContact CD2-CD1 4.29Å; W297-L302 HydrophobicContact CE3-CB 3.76Å; W297-L302 HydrophobicContact CG-CD1 4.38Å; W297-L302 HydrophobicContact CH2-CB 3.8Å; W297-L302 HydrophobicContact CH2-CD2 4.22Å; W297-L302 HydrophobicContact CZ2-CB 3.99Å; W297-L302 HydrophobicContact CZ2-CD2 3.71Å; W297-L302 HydrophobicContact CZ2-CG 4.38Å; W297-L302 HydrophobicContact CZ3-CB 3.68Å | ||
| 303 | T | 92.2 | Very high | 93.5 | Very high | 88 Ų | 88 | 65.7 Ų | 65.7 | 54% | 0.54 | 37% | 0.365 | S | S | . | . | trans | -113.4 | 161.7 | 177.8 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | A295 G305 | A295-T303 WeakPolarHBondContact CB-O 3.48Å; T303-G305 PolarHBondContact O-N 3.45Å | ||
| 304 | M | 93.2 | Very high | 93.6 | Very high | 140 Ų | 140 | 63 Ų | 63 | 69% | 0.69 | 35% | 0.353 | S | S | * | . | trans | -69 | 131.8 | 171.6 | -61.2 | -65.3 | 176.1 | 0 | 0 | 110.1 | F293 | F293-M304 HydrophobicContact CB-SD 4.41Å; F293-M304 HydrophobicContact CD1-CE 3.46Å; F293-M304 VanDerWaalsContact CD1-CE 3.46Å; F293-M304 HydrophobicContact CD1-CG 4.39Å; F293-M304 HydrophobicContact CD1-SD 3.32Å; F293-M304 WeakPolarHBondContact CD1-SD 3.45Å; F293-M304 HydrophobicContact CE1-CE 3.26Å; F293-M304 HydrophobicContact CE1-SD 3.84Å; F293-M304 HydrophobicContact CG-SD 4.11Å; F293-M304 HydrophobicContact CZ-CE 4.22Å | ||
| 305 | G | 92.8 | Very high | 93.7 | Very high | 30 Ų | 30 | 63.5 Ų | 63.5 | 31% | 0.309 | 35% | 0.354 | S | S | . | . | trans | -136.4 | -171.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | F293 G294 T303 | F293-G305 PolarHBondContact O-N 2.95Å; G294-G305 CarbonylContact O-C 3.53Å; G294-G305 WeakPolarHBondContact O-CA 3.28Å; T303-G305 PolarHBondContact O-N 3.45Å | ||
| 306 | N | 93.6 | Very high | 93.7 | Very high | 174 Ų | 174 | 64.9 Ų | 64.9 | 93% | 0.93 | 36% | 0.358 | S | S | * | . | trans | -124.8 | 18.9 | -179.4 | -70.2 | -28.6 | 0 | 0 | 0 | 112 | G294 | G294-N306 PolarHBondContact O-N 3.26Å; G294-N306 VanDerWaalsContact O-N 3.08Å | ||
| 307 | E | 92.8 | Very high | 93.7 | Very high | 106 Ų | 106 | 61.6 Ų | 61.6 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | trans | -76.5 | 138.5 | 178.6 | -60 | -177.3 | 158.2 | 0 | 0 | 110.6 | G294 I309 | G294-E307 WeakPolarHBondContact CA-O 3.24Å; G294-E307 VanDerWaalsContact O-CB 3.32Å; G294-E307 WeakPolarHBondContact O-CB 3.11Å; G294-E307 PolarHBondContact O-N 2.92Å; E307-I309 HydrophobicContact CB-CG1 4.34Å; E307-I309 PolarHBondContact O-N 3.47Å | ||
| 308 | R | 93.6 | Very high | 93.5 | Very high | 142 Ų | 142 | 59.9 Ų | 59.9 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | trans | -92.9 | 97.6 | 174.3 | -174.9 | -179.7 | -177.2 | 178.9 | 1.9 | 109.2 | T310 | R308-T310 HydrophobicContact CG-CG2 4.01Š| ||
| 309 | I | 94.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | trans | -100.2 | 116.8 | 176.5 | -57.6 | 168.9 | 0 | 0 | 0 | 108.2 | A290 S291 E307 F311 | A290-I309 HydrophobicContact CB-CD1 4Å; S291-I309 WeakPolarHBondContact CB-O 3.37Å; S291-I309 PolarHBondContact OG-O 3.38Å; E307-I309 HydrophobicContact CB-CG1 4.34Å; E307-I309 PolarHBondContact O-N 3.47Å; I309-F311 HydrophobicContact CG2-CE1 4.35Å; I309-F311 HydrophobicContact CG2-CE2 4.46Å; I309-F311 HydrophobicContact CG2-CZ 3.88Å | ||
| 310 | T | 96.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | trans | -121.7 | 159.2 | -179.3 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | E222 A225 R308 A329 Q330 | E222-T310 PolarHBondContact N-O 3.01Å; E222-T310 WeakPolarHBondContact OE2-CB 3.37Å; E222-T310 PolarHBondContact OE2-OG1 2.9Å; A225-T310 WeakPolarHBondContact CA-OG1 3.45Å; A225-T310 HydrophobicContact CB-CG2 4.07Å; R308-T310 HydrophobicContact CG-CG2 4.01Å; T310-A329 CarbonylContact C-O 3.47Å; T310-A329 WeakPolarHBondContact CA-O 3.4Å; T310-Q330 HydrophobicContact CG2-CB 4.23Å | ||
| 311 | F | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 151.7 | -178.5 | -50.2 | -82.4 | 0 | 0 | 0 | 111.7 | F219 I220 R221 D287 F288 S291 I309 L313 G328 A329 V331 F350 | F219-F311 AromaticContact CD2-CD1 3.97Å; F219-F311 HydrophobicContact CD2-CD1 3.97Å; F219-F311 HydrophobicContact CD2-CE1 4.41Å; I220-F311 CarbonylContact O-C 3.57Å; I220-F311 VanDerWaalsContact O-CA 3.28Å; I220-F311 WeakPolarHBondContact O-CA 3.18Å; R221-F311 HydrophobicContact CB-CD1 4.4Å; R221-F311 HydrophobicContact CB-CE1 4.47Å; R221-F311 HydrophobicContact CG-CD1 3.73Å; R221-F311 HydrophobicContact CG-CE1 3.4Å; D287-F311 HydrophobicContact CB-CE1 3.93Å; D287-F311 HydrophobicContact CB-CZ 4.13Å; D287-F311 WeakPolarHBondContact O-CZ 3.39Å; F288-F311 HydrophobicContact CD1-CD2 4.21Å; F288-F311 AromaticContact CD1-CE2 3.85Å; F288-F311 HydrophobicContact CD1-CE2 3.85Å; F288-F311 HydrophobicContact CD1-CZ 4.07Å; F288-F311 HydrophobicContact CE1-CD2 4.27Å; F288-F311 HydrophobicContact CE1-CE2 4.32Å; F288-F311 HydrophobicContact CE1-CG 4.44Å; S291-F311 VanDerWaalsContact CB-CE2 3.42Å; I309-F311 HydrophobicContact CG2-CE1 4.35Å; I309-F311 HydrophobicContact CG2-CE2 4.46Å; I309-F311 HydrophobicContact CG2-CZ 3.88Å; F311-L313 HydrophobicContact CB-CD2 4.08Å; F311-G328 PolarHBondContact O-N 3.43Å; F311-A329 WeakPolarHBondContact CD2-O 3.38Å; F311-A329 PolarHBondContact N-O 3.08Å; F311-A329 VanDerWaalsContact O-CB 3.25Å; F311-A329 WeakPolarHBondContact O-CB 3.38Å; F311-A329 PolarHBondContact O-N 2.96Å; F311-V331 HydrophobicContact CE2-CG2 4.23Å; F311-F350 HydrophobicContact CD2-CE1 4.26Å |
| 312 | S | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.2 | 157.7 | -78.8 | 0 | 0 | 0 | 0 | 107.9 | F219 I220 E222 T228 W234 V326 | F219-S312 VanDerWaalsContact CA-O 3.28Å; F219-S312 WeakPolarHBondContact CA-O 3.41Å; I220-S312 PolarHBondContact N-O 2.9Å; I220-S312 PolarHBondContact O-N 3.31Å; E222-S312 PolarHBondContact OE1-N 3.25Å; E222-S312 PolarHBondContact OE1-OG 2.83Å; T228-S312 WeakPolarHBondContact CA-OG 3.13Å; T228-S312 WeakPolarHBondContact CB-OG 3.4Å; T228-S312 PolarHBondContact OG1-OG 3.46Å; W234-S312 WeakPolarHBondContact CZ3-O 3.18Å; S312-V326 CarbonylContact C-O 3.59Å; S312-V326 WeakPolarHBondContact CA-O 3.33Å |
| 313 | L | 96.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.5 | 178.4 | -55.6 | 177.4 | 0 | 0 | 0 | 109 | F219 W242 F311 V325 V326 A329 F350 | F219-L313 HydrophobicContact CB-CD2 3.47Å; F219-L313 VanDerWaalsContact CB-CD2 3.47Å; F219-L313 HydrophobicContact CG-CD2 4.5Å; W242-L313 HydrophobicContact CH2-CB 4.07Å; W242-L313 HydrophobicContact CZ2-CB 4.45Å; F311-L313 HydrophobicContact CB-CD2 4.08Å; L313-V325 CarbonylContact O-C 3.59Å; L313-V325 VanDerWaalsContact O-CA 3.26Å; L313-V325 WeakPolarHBondContact O-CA 3.43Å; L313-V326 HydrophobicContact CB-CB 4.24Å; L313-V326 PolarHBondContact N-O 3.49Å; L313-V326 PolarHBondContact O-N 3.37Å; L313-A329 HydrophobicContact CD1-CB 3.74Å; L313-A329 HydrophobicContact CG-CB 3.82Å; L313-F350 HydrophobicContact CD1-CB 4.22Å; L313-F350 HydrophobicContact CD1-CD1 3.78Å; L313-F350 HydrophobicContact CD1-CD2 3.74Å; L313-F350 HydrophobicContact CD1-CE1 3.98Å; L313-F350 HydrophobicContact CD1-CE2 3.95Å; L313-F350 HydrophobicContact CD1-CG 3.64Å; L313-F350 HydrophobicContact CD1-CZ 4.06Å; L313-F350 HydrophobicContact CD2-CE1 4.27Å; L313-F350 HydrophobicContact CD2-CZ 4.23Å |
| 314 | A | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 145.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S217 A218 W234 S324 V325 F364 I365 | S217-A314 CarbonylContact C-O 3.57Å; S217-A314 WeakPolarHBondContact CA-O 3.37Å; A218-A314 PolarHBondContact N-O 3Å; A218-A314 PolarHBondContact O-N 2.82Å; W234-A314 HydrophobicContact CE3-CB 4.32Å; W234-A314 HydrophobicContact CH2-CB 3.7Å; W234-A314 HydrophobicContact CZ3-CB 3.47Å; W234-A314 VanDerWaalsContact CZ3-CB 3.47Å; A314-S324 CarbonylContact C-O 3.44Å; A314-S324 VanDerWaalsContact CA-O 3.26Å; A314-S324 WeakPolarHBondContact CA-O 3.32Å; A314-V325 HydrophobicContact CB-CB 4.35Å; A314-V325 HydrophobicContact CB-CG2 4.24Å; A314-F364 HydrophobicContact CB-CB 4.17Å; A314-I365 HydrophobicContact CB-CD1 4.32Å; A314-I365 HydrophobicContact CB-CG1 3.7Å |
| 315 | T | 95.8 | Very high | 94 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 147.2 | 167.3 | 75.3 | 0 | 0 | 0 | 0 | 110.8 | I216 W242 A323 S324 | I216-T315 CarbonylContact O-C 3.51Å; I216-T315 VanDerWaalsContact O-CA 3.25Å; I216-T315 WeakPolarHBondContact O-CA 3.02Å; W242-T315 HydrophobicContact CD2-CG2 3.91Å; W242-T315 VanDerWaalsContact CE2-CG2 3.49Å; W242-T315 HydrophobicContact CE3-CG2 4.23Å; W242-T315 HydrophobicContact CH2-CG2 3.73Å; W242-T315 HydrophobicContact CZ2-CG2 3.41Å; W242-T315 VanDerWaalsContact CZ2-CG2 3.41Å; W242-T315 HydrophobicContact CZ3-CG2 4.14Å; T315-A323 VanDerWaalsContact O-CA 3.31Å; T315-A323 WeakPolarHBondContact O-CA 3.45Å; T315-S324 PolarHBondContact N-O 2.84Å; T315-S324 PolarHBondContact O-N 3.12Å; T315-S324 PolarHBondContact OG1-OG 2.9Å |
| 316 | Y | 95.5 | Very high | 94.2 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 15% | 0.145 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 121.9 | 175.2 | 179.4 | -120.1 | 0 | 0 | 0 | 110.2 | V215 I216 A323 D361 N363 | V215-Y316 WeakPolarHBondContact CA-O 3.46Å; I216-Y316 PolarHBondContact N-O 2.72Å; I216-Y316 PolarHBondContact O-N 2.99Å; Y316-A323 HydrophobicContact CD2-CB 3.86Å; Y316-D361 PolarHBondContact OH-O 3.18Å; Y316-N363 WeakPolarHBondContact CB-ND2 3.47Å; Y316-N363 HydrophobicContact CD1-CB 4.18Å; Y316-N363 WeakPolarHBondContact CD1-ND2 3.44Å; Y316-N363 HydrophobicContact CD2-CB 4.21Å; Y316-N363 HydrophobicContact CE1-CB 4.45Å; Y316-N363 HydrophobicContact CE2-CB 4.46Å; Y316-N363 HydrophobicContact CG-CB 4.04Å |
| 317 | A | 93.2 | Very high | 94.3 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 15% | 0.149 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 96.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | K214 V215 D319 V320 G321 I322 | K214-A317 WeakPolarHBondContact O-CA 3.16Å; V215-A317 HydrophobicContact CG2-CB 3.85Å; A317-D319 PolarHBondContact O-N 3.32Å; A317-V320 HydrophobicContact CB-CG2 3.64Å; A317-V320 PolarHBondContact O-N 3.16Å; A317-G321 PolarHBondContact O-N 3.32Å; A317-I322 PolarHBondContact N-O 2.79Å; A317-I322 PolarHBondContact O-N 3.33Å |
| 318 | S | 89.8 | Confident | 94.5 | Very high | 53 Ų | 53 | 28.8 Ų | 28.8 | 37% | 0.371 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -22.7 | -172 | 62 | 0 | 0 | 0 | 0 | 113.7 | K214 V320 | K214-S318 WeakPolarHBondContact CB-OG 3.49Å; K214-S318 PolarHBondContact O-N 2.8Å; K214-S318 PolarHBondContact O-OG 3.5Å; S318-V320 VanDerWaalsContact C-N 3.32Å |
| 319 | D | 88.1 | Confident | 94.6 | Very high | 86 Ų | 86 | 22 Ų | 22 | 46% | 0.46 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -24.6 | 179.6 | -61.5 | -44.2 | 0 | 0 | 0 | 112.6 | K214 A317 | K214-D319 WeakPolarHBondContact CB-OD2 3.38Å; K214-D319 VanDerWaalsContact CD-OD1 3.25Å; K214-D319 WeakPolarHBondContact CD-OD1 3.28Å; K214-D319 WeakPolarHBondContact CE-OD1 3.31Å; K214-D319 VanDerWaalsContact CG-OD2 3.29Å; K214-D319 WeakPolarHBondContact CG-OD2 3.31Å; K214-D319 PolarHBondContact N-OD2 3.13Å; K214-D319 IonicContact NZ-OD1 3.77Å; K214-D319 PolarHBondContact NZ-OD1 3.23Å; A317-D319 PolarHBondContact O-N 3.32Å |
| 320 | V | 90 | Very high | 94.7 | Very high | 97 Ų | 97 | 24.6 Ų | 24.6 | 59% | 0.588 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.8 | -1.5 | -177.7 | -65.5 | 0 | 0 | 0 | 0 | 113.6 | A317 S318 I322 | A317-V320 HydrophobicContact CB-CG2 3.64Å; A317-V320 PolarHBondContact O-N 3.16Å; S318-V320 VanDerWaalsContact C-N 3.32Å; V320-I322 VanDerWaalsContact C-N 3.29Å; V320-I322 HydrophobicContact CB-CD1 4.36Å; V320-I322 HydrophobicContact CB-CG1 4.38Å; V320-I322 HydrophobicContact CG2-CB 4.1Å; V320-I322 HydrophobicContact CG2-CD1 3.88Å; V320-I322 HydrophobicContact CG2-CG1 3.87Å; V320-I322 PolarHBondContact O-N 3.09Å |
| 321 | G | 91 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 14.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A317 A359 D361 | A317-G321 PolarHBondContact O-N 3.32Å; G321-A359 WeakPolarHBondContact O-CA 3.27Å; G321-D361 WeakPolarHBondContact CA-OD1 3.5Å; G321-D361 PolarHBondContact O-N 3.14Å |
| 322 | I | 94.3 | Very high | 94.5 | Very high | 86 Ų | 86 | 27.8 Ų | 27.8 | 44% | 0.441 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.3 | -174 | -59.6 | 174.8 | 0 | 0 | 0 | 109.8 | A317 V320 K358 A359 | A317-I322 PolarHBondContact N-O 2.79Å; A317-I322 PolarHBondContact O-N 3.33Å; V320-I322 VanDerWaalsContact C-N 3.29Å; V320-I322 HydrophobicContact CB-CD1 4.36Å; V320-I322 HydrophobicContact CB-CG1 4.38Å; V320-I322 HydrophobicContact CG2-CB 4.1Å; V320-I322 HydrophobicContact CG2-CD1 3.88Å; V320-I322 HydrophobicContact CG2-CG1 3.87Å; V320-I322 PolarHBondContact O-N 3.09Å; I322-K358 WeakPolarHBondContact CA-O 3.34Å; I322-A359 HydrophobicContact CG1-CB 4.16Å |
| 323 | A | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 146.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | T315 Y316 S357 K358 T362 F364 | T315-A323 VanDerWaalsContact O-CA 3.31Å; T315-A323 WeakPolarHBondContact O-CA 3.45Å; Y316-A323 HydrophobicContact CD2-CB 3.86Å; A323-S357 CarbonylContact O-C 3.36Å; A323-S357 VanDerWaalsContact O-CA 3.26Å; A323-S357 WeakPolarHBondContact O-CA 3.13Å; A323-K358 HydrophobicContact CB-CG 3.97Å; A323-K358 PolarHBondContact N-O 3.18Å; A323-K358 PolarHBondContact O-N 3Å; A323-T362 WeakPolarHBondContact CB-O 3.27Å; A323-F364 HydrophobicContact CB-CD2 3.69Å; A323-F364 HydrophobicContact CB-CE2 3.86Å |
| 324 | S | 95.2 | Very high | 94.1 | Very high | 12 Ų | 12 | 32 Ų | 32 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.9 | 169.7 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | A314 T315 W355 E356 | A314-S324 CarbonylContact C-O 3.44Å; A314-S324 VanDerWaalsContact CA-O 3.26Å; A314-S324 WeakPolarHBondContact CA-O 3.32Å; T315-S324 PolarHBondContact N-O 2.84Å; T315-S324 PolarHBondContact O-N 3.12Å; T315-S324 PolarHBondContact OG1-OG 2.9Å; S324-W355 WeakPolarHBondContact OG-CH2 3.39Å; S324-E356 CarbonylContact C-O 3.5Å; S324-E356 VanDerWaalsContact CA-O 3.27Å; S324-E356 WeakPolarHBondContact CA-O 3.22Å |
| 325 | V | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 136.3 | 174.4 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | L313 A314 R327 W355 E356 F364 | L313-V325 CarbonylContact O-C 3.59Å; L313-V325 VanDerWaalsContact O-CA 3.26Å; L313-V325 WeakPolarHBondContact O-CA 3.43Å; A314-V325 HydrophobicContact CB-CB 4.35Å; A314-V325 HydrophobicContact CB-CG2 4.24Å; V325-R327 HydrophobicContact CG2-CG 4.26Å; V325-W355 WeakPolarHBondContact O-CA 3.45Å; V325-E356 HydrophobicContact CG1-CB 3.94Å; V325-E356 PolarHBondContact N-O 3.12Å; V325-E356 PolarHBondContact O-N 2.89Å; V325-F364 HydrophobicContact CB-CB 4.23Å; V325-F364 HydrophobicContact CB-CD1 4.39Å; V325-F364 HydrophobicContact CB-CD2 3.82Å; V325-F364 HydrophobicContact CB-CE2 4.25Å; V325-F364 HydrophobicContact CB-CG 3.9Å; V325-F364 HydrophobicContact CG1-CD1 3.81Å; V325-F364 HydrophobicContact CG1-CD2 3.79Å; V325-F364 HydrophobicContact CG1-CE1 3.82Å; V325-F364 HydrophobicContact CG1-CE2 3.81Å; V325-F364 HydrophobicContact CG1-CG 3.79Å; V325-F364 HydrophobicContact CG1-CZ 3.83Å |
| 326 | V | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.9 | 168.2 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | V244 V272 S312 L313 A329 D354 W355 | V244-V326 HydrophobicContact CG1-CB 4.47Å; V244-V326 HydrophobicContact CG1-CG1 4.47Å; V244-V326 HydrophobicContact CG1-CG2 3.47Å; V244-V326 VanDerWaalsContact CG1-CG2 3.47Å; V272-V326 HydrophobicContact CG1-CB 4.45Å; V272-V326 HydrophobicContact CG1-CG1 3.65Å; V272-V326 HydrophobicContact CG1-CG2 4.19Å; S312-V326 CarbonylContact C-O 3.59Å; S312-V326 WeakPolarHBondContact CA-O 3.33Å; L313-V326 HydrophobicContact CB-CB 4.24Å; L313-V326 PolarHBondContact N-O 3.49Å; L313-V326 PolarHBondContact O-N 3.37Å; V326-A329 HydrophobicContact CG1-CB 4.01Å; V326-D354 WeakPolarHBondContact CA-O 3.46Å; V326-W355 HydrophobicContact CB-CE3 4.43Å; V326-W355 HydrophobicContact CG2-CE3 3.37Å; V326-W355 HydrophobicContact CG2-CZ3 3.43Å; V326-W355 VanDerWaalsContact CG2-CZ3 3.43Å |
| 327 | R | 96.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 152.6 | 175.4 | -53.1 | -177.8 | 176.8 | 95.4 | -1 | 111 | E222 G226 T228 V325 A329 L353 D354 E356 | E222-R327 WeakPolarHBondContact OE1-CA 3.39Å; G226-R327 WeakPolarHBondContact O-CB 3.49Å; G226-R327 WeakPolarHBondContact O-CD 3.23Å; T228-R327 PolarHBondContact OG1-NE 3.31Å; V325-R327 HydrophobicContact CG2-CG 4.26Å; R327-A329 PolarHBondContact O-N 2.8Å; R327-L353 PolarHBondContact O-N 2.83Å; R327-D354 HydrophobicContact CB-CB 4.29Å; R327-D354 PolarHBondContact N-O 3.16Å; R327-D354 IonicContact NH1-OD2 3.24Å; R327-D354 PolarHBondContact NH1-OD2 2.77Å; R327-D354 PolarHBondContact O-N 3.29Å; R327-E356 IonicContact CZ-OE2 2.89Å; R327-E356 VanDerWaalsContact CZ-OE2 3.23Å; R327-E356 IonicContact NH1-OE2 3.94Å; R327-E356 PolarHBondContact NH1-OE2 3.07Å; R327-E356 IonicContact NH2-OE2 3.82Å; R327-E356 PolarHBondContact NH2-OE2 3.37Å |
| 328 | G | 95.9 | Very high | 93 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.4 | 24.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E222 F311 Q330 | E222-G328 VanDerWaalsContact CD-N 3.32Å; E222-G328 PolarHBondContact OE1-N 3.49Å; E222-G328 WeakPolarHBondContact OE2-CA 3.31Å; E222-G328 PolarHBondContact OE2-N 3.38Å; E222-G328 VanDerWaalsContact OE2-N 3.07Å; F311-G328 PolarHBondContact O-N 3.43Å; G328-Q330 PolarHBondContact O-N 2.88Å |
| 329 | A | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 110.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110 | T310 F311 L313 V326 R327 F350 A351 | T310-A329 CarbonylContact C-O 3.47Å; T310-A329 WeakPolarHBondContact CA-O 3.4Å; F311-A329 WeakPolarHBondContact CD2-O 3.38Å; F311-A329 PolarHBondContact N-O 3.08Å; F311-A329 VanDerWaalsContact O-CB 3.25Å; F311-A329 WeakPolarHBondContact O-CB 3.38Å; F311-A329 PolarHBondContact O-N 2.96Å; L313-A329 HydrophobicContact CD1-CB 3.74Å; L313-A329 HydrophobicContact CG-CB 3.82Å; V326-A329 HydrophobicContact CG1-CB 4.01Å; R327-A329 PolarHBondContact O-N 2.8Å; A329-F350 HydrophobicContact CB-CB 4.47Å; A329-F350 HydrophobicContact CB-CD1 4Å; A329-A351 CarbonylContact C-O 3.57Å; A329-A351 WeakPolarHBondContact CA-O 3.33Å |
| 330 | Q | 95.9 | Very high | 92.4 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 145.8 | 172 | -170.8 | 171.5 | 0.5 | 0 | 0 | 110 | T310 G328 G332 F350 A351 | T310-Q330 HydrophobicContact CG2-CB 4.23Å; G328-Q330 PolarHBondContact O-N 2.88Å; Q330-G332 PolarHBondContact O-N 3.01Å; Q330-F350 WeakPolarHBondContact O-CA 3.4Å; Q330-A351 PolarHBondContact N-O 3.48Å; Q330-A351 PolarHBondContact O-N 3.18Å |
| 331 | V | 96.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 110.9 | 173.5 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | F288 S291 C292 F311 W334 V348 T349 F350 | F288-V331 HydrophobicContact CB-CG2 3.99Å; F288-V331 HydrophobicContact CD1-CG2 4.17Å; F288-V331 HydrophobicContact CG-CG2 4.42Å; S291-V331 PolarHBondContact OG-N 3.36Å; C292-V331 HydrophobicContact CB-CB 4.33Å; C292-V331 HydrophobicContact CB-CG1 3.85Å; F311-V331 HydrophobicContact CE2-CG2 4.23Å; V331-W334 HydrophobicContact CG1-CB 4.43Å; V331-V348 HydrophobicContact CB-CG1 4.27Å; V331-V348 HydrophobicContact CG1-CG1 3.63Å; V331-V348 HydrophobicContact CG2-CG1 3.71Å; V331-T349 CarbonylContact C-O 3.52Å; V331-T349 WeakPolarHBondContact CA-O 3.4Å; V331-F350 HydrophobicContact CG2-CD1 4.08Å; V331-F350 HydrophobicContact CG2-CE1 3.62Å; V331-F350 HydrophobicContact CG2-CZ 4.32Å |
| 332 | G | 92.4 | Very high | 91.8 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -30.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q330 T349 | Q330-G332 PolarHBondContact O-N 3.01Å; G332-T349 PolarHBondContact N-O 3.1Å |
| 333 | S | 93.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 146.8 | 172.4 | 90.4 | 0 | 0 | 0 | 0 | 111.3 | T349 | S333-T349 PolarHBondContact O-N 3.47Å; S333-T349 WeakPolarHBondContact OG-CB 2.93Å; S333-T349 PolarHBondContact OG-OG1 2.77Å |
| 334 | W | 92.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 51 Ų | 51 | 21% | 0.205 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.7 | 171.6 | -173.3 | 93.4 | 0 | 0 | 0 | 109.3 | F280 L289 C292 V331 M336 A346 | F280-W334 HydrophobicContact CD2-CZ2 4.02Å; F280-W334 HydrophobicContact CE2-CH2 4.07Å; F280-W334 AromaticContact CE2-CZ2 3.71Å; F280-W334 HydrophobicContact CE2-CZ2 3.71Å; L289-W334 HydrophobicContact CD2-CD2 3.79Å; L289-W334 HydrophobicContact CD2-CE3 3.95Å; L289-W334 HydrophobicContact CD2-CG 4.15Å; L289-W334 HydrophobicContact CD2-CH2 4.35Å; L289-W334 HydrophobicContact CD2-CZ2 4.28Å; L289-W334 HydrophobicContact CD2-CZ3 4.22Å; C292-W334 HydrophobicContact CB-CB 4.42Å; V331-W334 HydrophobicContact CG1-CB 4.43Å; W334-M336 HydrophobicContact CE3-CB 4.24Å; W334-M336 HydrophobicContact CH2-CB 3.33Å; W334-M336 HydrophobicContact CH2-CE 4.21Å; W334-M336 HydrophobicContact CH2-CG 4.07Å; W334-M336 HydrophobicContact CH2-SD 3.82Å; W334-M336 HydrophobicContact CZ2-CB 4.05Å; W334-M336 HydrophobicContact CZ3-CB 3.41Å; W334-M336 VanDerWaalsContact CZ3-CB 3.41Å; W334-M336 HydrophobicContact CZ3-CE 4.31Å; W334-M336 HydrophobicContact CZ3-CG 4.49Å; W334-M336 HydrophobicContact CZ3-SD 4.44Å; W334-A346 HydrophobicContact CZ2-CB 3.86Å |
| 335 | K | 92.4 | Very high | 90.9 | Very high | 139 Ų | 139 | 52.7 Ų | 52.7 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.9 | -179.5 | -64.6 | -179.4 | -178.7 | 175 | 0 | 109 | A346 T347 | K335-A346 CarbonylContact O-C 3.56Å; K335-A346 WeakPolarHBondContact O-CA 3.46Å; K335-T347 PolarHBondContact N-O 3.36Å; K335-T347 PolarHBondContact O-N 3.12Å |
| 336 | M | 90.1 | Very high | 90.7 | Very high | 79 Ų | 79 | 52.6 Ų | 52.6 | 39% | 0.389 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.5 | 169.5 | 170.3 | 176.9 | 63 | 0 | 0 | 109.6 | W334 I338 I344 T345 | W334-M336 HydrophobicContact CE3-CB 4.24Å; W334-M336 HydrophobicContact CH2-CB 3.33Å; W334-M336 HydrophobicContact CH2-CE 4.21Å; W334-M336 HydrophobicContact CH2-CG 4.07Å; W334-M336 HydrophobicContact CH2-SD 3.82Å; W334-M336 HydrophobicContact CZ2-CB 4.05Å; W334-M336 HydrophobicContact CZ3-CB 3.41Å; W334-M336 VanDerWaalsContact CZ3-CB 3.41Å; W334-M336 HydrophobicContact CZ3-CE 4.31Å; W334-M336 HydrophobicContact CZ3-CG 4.49Å; W334-M336 HydrophobicContact CZ3-SD 4.44Å; M336-I338 HydrophobicContact CE-CD1 4.31Å; M336-I338 HydrophobicContact CG-CG1 4.24Å; M336-I338 HydrophobicContact SD-CD1 4.49Å; M336-I338 HydrophobicContact SD-CG1 4.45Å; M336-I344 HydrophobicContact CG-CG2 3.81Å; M336-I344 HydrophobicContact SD-CG2 4.08Å; M336-T345 WeakPolarHBondContact CA-O 3.35Å |
| 337 | Q | 89.6 | Confident | 90.6 | Very high | 127 Ų | 127 | 54.8 Ų | 54.8 | 59% | 0.593 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126.4 | 174.9 | 179.2 | 179.5 | -16.3 | 0 | 0 | 109 | P339 I344 T345 | Q337-P339 WeakPolarHBondContact O-CD 3.02Å; Q337-I344 WeakPolarHBondContact O-CG2 3.08Å; Q337-T345 PolarHBondContact N-O 2.86Å; Q337-T345 PolarHBondContact O-N 2.85Å |
| 338 | I | 86.6 | Confident | 90.6 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | trans | -107.9 | 100.4 | 175.9 | -56.2 | 170.7 | 0 | 0 | 0 | 105.8 | M336 I344 F380 V383 V386 | M336-I338 HydrophobicContact CE-CD1 4.31Å; M336-I338 HydrophobicContact CG-CG1 4.24Å; M336-I338 HydrophobicContact SD-CD1 4.49Å; M336-I338 HydrophobicContact SD-CG1 4.45Å; I338-I344 HydrophobicContact CG1-CD1 4.32Å; I338-I344 HydrophobicContact CG1-CG1 4.4Å; I338-I344 HydrophobicContact CG1-CG2 4.14Å; I338-I344 HydrophobicContact CG2-CG1 4.4Å; I338-F380 HydrophobicContact CG2-CD2 4.32Å; I338-V383 HydrophobicContact CD1-CG1 4.37Å; I338-V383 HydrophobicContact CD1-CG2 4.32Å; I338-V383 HydrophobicContact CG2-CG2 4.09Å; I338-V386 HydrophobicContact CD1-CG2 3.89Å | ||
| 339 | P | 84.2 | Confident | 90.6 | Very high | 31 Ų | 31 | 54.9 Ų | 54.9 | 20% | 0.201 | 31% | 0.306 | C | S | . | . | trans | -71.9 | 165.5 | 176.5 | 32.1 | -35.3 | 0 | 0 | 0 | 111.1 | Q337 D341 F380 | Q337-P339 WeakPolarHBondContact O-CD 3.02Å; P339-D341 WeakPolarHBondContact CB-O 3.36Å; P339-D341 VanDerWaalsContact CG-O 3.32Å; P339-D341 WeakPolarHBondContact CG-O 3.39Å; P339-D341 PolarHBondContact O-N 3.04Å; P339-F380 WeakPolarHBondContact O-CD2 3.5Å | ||
| 340 | N | 81.1 | Confident | 90.7 | Very high | 146 Ų | 146 | 55 Ų | 55 | 78% | 0.781 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -69.5 | -24 | 173.8 | 64.1 | -16.8 | 0 | 0 | 0 | 113 | ||
| 341 | D | 82.9 | Confident | 90.6 | Very high | 134 Ų | 134 | 54.6 Ų | 54.6 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -146.5 | 143.4 | 175.2 | -173.4 | 19.3 | 0 | 0 | 0 | 109.5 | P339 | P339-D341 WeakPolarHBondContact CB-O 3.36Å; P339-D341 VanDerWaalsContact CG-O 3.32Å; P339-D341 WeakPolarHBondContact CG-O 3.39Å; P339-D341 PolarHBondContact O-N 3.04Å |
| 342 | G | 84.3 | Confident | 90.6 | Very high | 32 Ų | 32 | 55 Ų | 55 | 33% | 0.33 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 101 | -164.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | F380 | G342-F380 PolarHBondContact O-N 3.02Š|
| 343 | D | 87.1 | Confident | 90.7 | Very high | 36 Ų | 36 | 56.9 Ų | 56.9 | 19% | 0.193 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -80 | 141.5 | -176.6 | -68.6 | -39.8 | 0 | 0 | 0 | 111.3 | K279 T345 R377 | K279-D343 HydrophobicContact CD-CB 3.98Å; K279-D343 VanDerWaalsContact CD-OD2 3.3Å; K279-D343 WeakPolarHBondContact CD-OD2 3.2Å; K279-D343 WeakPolarHBondContact CE-OD2 3.18Å; K279-D343 HydrophobicContact CG-CB 4.46Å; K279-D343 IonicContact NZ-OD2 2.71Å; K279-D343 PolarHBondContact NZ-OD2 2.97Å; D343-T345 PolarHBondContact O-N 3.42Å; D343-R377 IonicContact OD2-CZ 3.16Å; D343-R377 IonicContact OD2-NH1 2.69Å |
| 344 | I | 88.4 | Confident | 90.8 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | trans | -66.3 | 133.5 | 170.1 | -59 | 179.4 | 0 | 0 | 0 | 108.5 | F280 M336 Q337 I338 Y378 | F280-I344 HydrophobicContact CB-CB 3.89Å; F280-I344 HydrophobicContact CB-CG2 3.63Å; F280-I344 HydrophobicContact CD1-CG2 4.33Å; F280-I344 HydrophobicContact CG-CG2 4.13Å; F280-I344 PolarHBondContact N-O 3.48Å; M336-I344 HydrophobicContact CG-CG2 3.81Å; M336-I344 HydrophobicContact SD-CG2 4.08Å; Q337-I344 WeakPolarHBondContact O-CG2 3.08Å; I338-I344 HydrophobicContact CG1-CD1 4.32Å; I338-I344 HydrophobicContact CG1-CG1 4.4Å; I338-I344 HydrophobicContact CG1-CG2 4.14Å; I338-I344 HydrophobicContact CG2-CG1 4.4Å; I344-Y378 PolarHBondContact N-O 3.31Å | ||
| 345 | T | 91.2 | Very high | 90.9 | Very high | 47 Ų | 47 | 59 Ų | 59 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.4 | 178.8 | 60.4 | 0 | 0 | 0 | 0 | 111 | T278 M336 Q337 D343 | T278-T345 WeakPolarHBondContact O-CA 3.14Å; M336-T345 WeakPolarHBondContact CA-O 3.35Å; Q337-T345 PolarHBondContact N-O 2.86Å; Q337-T345 PolarHBondContact O-N 2.85Å; D343-T345 PolarHBondContact O-N 3.42Å |
| 346 | A | 91.2 | Very high | 91 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | T278 F280 W334 K335 | T278-A346 WeakPolarHBondContact CA-O 3.49Å; T278-A346 PolarHBondContact N-O 3.05Å; T278-A346 PolarHBondContact O-N 3.36Å; T278-A346 PolarHBondContact OG1-O 3.24Å; F280-A346 HydrophobicContact CD2-CB 4.18Å; W334-A346 HydrophobicContact CZ2-CB 3.86Å; K335-A346 CarbonylContact O-C 3.56Å; K335-A346 WeakPolarHBondContact O-CA 3.46Å |
| 347 | T | 95.3 | Very high | 91.3 | Very high | 46 Ų | 46 | 56 Ų | 56 | 28% | 0.282 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.1 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 108.7 | D275 V276 K335 | D275-T347 HydrophobicContact CB-CG2 3.87Å; V276-T347 WeakPolarHBondContact O-CA 3.49Å; K335-T347 PolarHBondContact N-O 3.36Å; K335-T347 PolarHBondContact O-N 3.12Å |
| 348 | V | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.6 | 178.3 | -165.6 | 0 | 0 | 0 | 0 | 108.5 | D275 V276 F288 V331 F350 | D275-V348 CarbonylContact C-O 3.59Å; D275-V348 WeakPolarHBondContact CA-O 3.33Å; V276-V348 PolarHBondContact N-O 3.33Å; V276-V348 PolarHBondContact O-N 2.93Å; F288-V348 HydrophobicContact CB-CG1 4.22Å; F288-V348 HydrophobicContact CD2-CG2 4.15Å; F288-V348 HydrophobicContact CG-CG1 4.32Å; V331-V348 HydrophobicContact CB-CG1 4.27Å; V331-V348 HydrophobicContact CG1-CG1 3.63Å; V331-V348 HydrophobicContact CG2-CG1 3.71Å; V348-F350 HydrophobicContact CB-CD2 4.46Å; V348-F350 HydrophobicContact CB-CE2 3.78Å; V348-F350 HydrophobicContact CB-CZ 4.1Å; V348-F350 HydrophobicContact CG1-CD2 4.25Å; V348-F350 HydrophobicContact CG1-CE1 4.05Å; V348-F350 HydrophobicContact CG1-CE2 3.63Å; V348-F350 HydrophobicContact CG1-CZ 3.53Å |
| 349 | T | 97 | Very high | 91.8 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.5 | 175.4 | -53.5 | 0 | 0 | 0 | 0 | 109.2 | D275 V331 G332 S333 | D275-T349 WeakPolarHBondContact OD1-CA 3.48Å; D275-T349 WeakPolarHBondContact OD1-CB 2.97Å; D275-T349 VanDerWaalsContact OD1-CG2 3.3Å; D275-T349 WeakPolarHBondContact OD1-CG2 3.46Å; D275-T349 PolarHBondContact OD1-OG1 3.09Å; V331-T349 CarbonylContact C-O 3.52Å; V331-T349 WeakPolarHBondContact CA-O 3.4Å; G332-T349 PolarHBondContact N-O 3.1Å; S333-T349 PolarHBondContact O-N 3.47Å; S333-T349 WeakPolarHBondContact OG-CB 2.93Å; S333-T349 PolarHBondContact OG-OG1 2.77Å |
| 350 | F | 96.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 143 | 177.9 | -67.7 | -81.2 | 0 | 0 | 0 | 112.2 | V244 G273 G274 V276 F288 F311 L313 A329 Q330 V331 V348 | V244-F350 HydrophobicContact CG2-CB 4.35Å; V244-F350 HydrophobicContact CG2-CD2 4.08Å; G273-F350 CarbonylContact C-O 3.58Å; G273-F350 WeakPolarHBondContact CA-O 3.26Å; G274-F350 PolarHBondContact N-O 2.94Å; G274-F350 PolarHBondContact O-N 3.08Å; V276-F350 HydrophobicContact CB-CD2 4.48Å; V276-F350 HydrophobicContact CB-CE2 4.12Å; V276-F350 HydrophobicContact CG2-CD2 3.83Å; V276-F350 HydrophobicContact CG2-CE2 3.77Å; F288-F350 AromaticContact CD1-CE1 3.95Å; F288-F350 HydrophobicContact CD1-CE1 3.95Å; F288-F350 AromaticContact CD1-CZ 3.77Å; F288-F350 HydrophobicContact CD1-CZ 3.77Å; F288-F350 AromaticContact CE1-CE1 3.95Å; F288-F350 HydrophobicContact CE1-CE1 3.95Å; F288-F350 AromaticContact CE1-CZ 3.6Å; F288-F350 HydrophobicContact CE1-CZ 3.6Å; F288-F350 HydrophobicContact CE2-CZ 4.44Å; F288-F350 HydrophobicContact CG-CZ 4.29Å; F288-F350 AromaticContact CZ-CZ 3.96Å; F288-F350 HydrophobicContact CZ-CZ 3.96Å; F311-F350 HydrophobicContact CD2-CE1 4.26Å; L313-F350 HydrophobicContact CD1-CB 4.22Å; L313-F350 HydrophobicContact CD1-CD1 3.78Å; L313-F350 HydrophobicContact CD1-CD2 3.74Å; L313-F350 HydrophobicContact CD1-CE1 3.98Å; L313-F350 HydrophobicContact CD1-CE2 3.95Å; L313-F350 HydrophobicContact CD1-CG 3.64Å; L313-F350 HydrophobicContact CD1-CZ 4.06Å; L313-F350 HydrophobicContact CD2-CE1 4.27Å; L313-F350 HydrophobicContact CD2-CZ 4.23Å; A329-F350 HydrophobicContact CB-CB 4.47Å; A329-F350 HydrophobicContact CB-CD1 4Å; Q330-F350 WeakPolarHBondContact O-CA 3.4Å; V331-F350 HydrophobicContact CG2-CD1 4.08Å; V331-F350 HydrophobicContact CG2-CE1 3.62Å; V331-F350 HydrophobicContact CG2-CZ 4.32Å; V348-F350 HydrophobicContact CB-CD2 4.46Å; V348-F350 HydrophobicContact CB-CE2 3.78Å; V348-F350 HydrophobicContact CB-CZ 4.1Å; V348-F350 HydrophobicContact CG1-CD2 4.25Å; V348-F350 HydrophobicContact CG1-CE1 4.05Å; V348-F350 HydrophobicContact CG1-CE2 3.63Å; V348-F350 HydrophobicContact CG1-CZ 3.53Å |
| 351 | A | 95.5 | Very high | 92.6 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | A329 Q330 | A329-A351 CarbonylContact C-O 3.57Å; A329-A351 WeakPolarHBondContact CA-O 3.33Å; Q330-A351 PolarHBondContact N-O 3.48Å; Q330-A351 PolarHBondContact O-N 3.18Å |
| 352 | G | 95.1 | Very high | 93 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 162.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V272 | V272-G352 PolarHBondContact O-N 3.35Å |
| 353 | L | 94.3 | Very high | 93.3 | Very high | 102 Ų | 102 | 51 Ų | 51 | 53% | 0.534 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -98.3 | -34.1 | 175.2 | -64.1 | 178.9 | 0 | 0 | 0 | 112.4 | A225 R327 | A225-L353 HydrophobicContact CB-CD1 4.48Å; R327-L353 PolarHBondContact O-N 2.83Å |
| 354 | D | 94.7 | Very high | 93.6 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150 | -171.8 | 179.6 | 50.6 | 0 | 0 | 0 | 110.7 | V326 R327 | V326-D354 WeakPolarHBondContact CA-O 3.46Å; R327-D354 HydrophobicContact CB-CB 4.29Å; R327-D354 PolarHBondContact N-O 3.16Å; R327-D354 IonicContact NH1-OD2 3.24Å; R327-D354 PolarHBondContact NH1-OD2 2.77Å; R327-D354 PolarHBondContact O-N 3.29Å |
| 355 | W | 95 | Very high | 93.8 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 24% | 0.239 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 132 | 176.6 | 172.8 | -86.7 | 0 | 0 | 0 | 110.2 | P246 V272 S324 V325 V326 | P246-W355 HydrophobicContact CB-CB 4.43Å; P246-W355 HydrophobicContact CB-CG 4.25Å; P246-W355 HydrophobicContact CG-CD2 4.05Å; P246-W355 HydrophobicContact CG-CG 3.89Å; V272-W355 HydrophobicContact CG1-CB 3.98Å; V272-W355 HydrophobicContact CG1-CE3 4.26Å; V272-W355 HydrophobicContact CG2-CB 3.77Å; S324-W355 WeakPolarHBondContact OG-CH2 3.39Å; V325-W355 WeakPolarHBondContact O-CA 3.45Å; V326-W355 HydrophobicContact CB-CE3 4.43Å; V326-W355 HydrophobicContact CG2-CE3 3.37Å; V326-W355 HydrophobicContact CG2-CZ3 3.43Å; V326-W355 VanDerWaalsContact CG2-CZ3 3.43Å |
| 356 | E | 95.8 | Very high | 93.7 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.3 | 171.9 | -170 | -173.2 | 157.8 | 0 | 0 | 110 | S324 V325 R327 F364 | S324-E356 CarbonylContact C-O 3.5Å; S324-E356 VanDerWaalsContact CA-O 3.27Å; S324-E356 WeakPolarHBondContact CA-O 3.22Å; V325-E356 HydrophobicContact CG1-CB 3.94Å; V325-E356 PolarHBondContact N-O 3.12Å; V325-E356 PolarHBondContact O-N 2.89Å; R327-E356 IonicContact CZ-OE2 2.89Å; R327-E356 VanDerWaalsContact CZ-OE2 3.23Å; R327-E356 IonicContact NH1-OE2 3.94Å; R327-E356 PolarHBondContact NH1-OE2 3.07Å; R327-E356 IonicContact NH2-OE2 3.82Å; R327-E356 PolarHBondContact NH2-OE2 3.37Å; E356-F364 HydrophobicContact CB-CZ 4.29Å; E356-F364 HydrophobicContact CG-CE1 4.43Å; E356-F364 HydrophobicContact CG-CZ 3.9Å |
| 357 | S | 94.9 | Very high | 93.5 | Very high | 76 Ų | 76 | 58 Ų | 58 | 53% | 0.531 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147.5 | 171.3 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | A323 | A323-S357 CarbonylContact O-C 3.36Å; A323-S357 VanDerWaalsContact O-CA 3.26Å; A323-S357 WeakPolarHBondContact O-CA 3.13Å |
| 358 | K | 94.5 | Very high | 93 | Very high | 45 Ų | 45 | 63 Ų | 63 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 156.3 | 177.2 | 62 | -173.6 | -179.7 | 173.2 | 0 | 110.6 | I322 A323 D360 T362 F364 | I322-K358 WeakPolarHBondContact CA-O 3.34Å; A323-K358 HydrophobicContact CB-CG 3.97Å; A323-K358 PolarHBondContact N-O 3.18Å; A323-K358 PolarHBondContact O-N 3Å; K358-D360 WeakPolarHBondContact CD-OD1 3.33Å; K358-T362 WeakPolarHBondContact CE-O 3.46Å; K358-T362 WeakPolarHBondContact CE-OG1 3.5Å; K358-T362 PolarHBondContact NZ-OG1 2.77Å; K358-F364 HydrophobicContact CD-CE1 4.05Å; K358-F364 HydrophobicContact CD-CE2 3.92Å; K358-F364 HydrophobicContact CD-CZ 3.56Å; K358-F364 HydrophobicContact CG-CE2 3.83Å; K358-F364 HydrophobicContact CG-CZ 3.83Å |
| 359 | A | 93.6 | Very high | 92.8 | Very high | 82 Ų | 82 | 63.5 Ų | 63.5 | 68% | 0.678 | 37% | 0.366 | S | S | * | . | trans | -131.6 | 53 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G321 I322 | G321-A359 WeakPolarHBondContact O-CA 3.27Å; I322-A359 HydrophobicContact CG1-CB 4.16Å | ||
| 360 | D | 92.6 | Very high | 92.4 | Very high | 84 Ų | 84 | 64.6 Ų | 64.6 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -113.1 | 17.9 | -176.1 | 69.5 | -12.7 | 0 | 0 | 0 | 112.4 | K358 T362 | K358-D360 WeakPolarHBondContact CD-OD1 3.33Å; D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 WeakPolarHBondContact OD1-CB 3.39Å; D360-T362 PolarHBondContact OD1-N 3.36Å; D360-T362 PolarHBondContact OD1-OG1 2.65Å; D360-T362 PolarHBondContact OD2-OG1 2.89Å |
| 361 | D | 89.6 | Confident | 91.8 | Very high | 113 Ų | 113 | 67.4 Ų | 67.4 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 61.2 | 5.4 | -173.6 | -66.2 | -50.8 | 0 | 0 | 0 | 115.1 | Y316 G321 | Y316-D361 PolarHBondContact OH-O 3.18Å; G321-D361 WeakPolarHBondContact CA-OD1 3.5Å; G321-D361 PolarHBondContact O-N 3.14Å |
| 362 | T | 91 | Very high | 90.4 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | trans | -99.3 | 150.5 | 179.2 | 75.9 | 0 | 0 | 0 | 0 | 112.3 | A323 K358 D360 | A323-T362 WeakPolarHBondContact CB-O 3.27Å; K358-T362 WeakPolarHBondContact CE-O 3.46Å; K358-T362 WeakPolarHBondContact CE-OG1 3.5Å; K358-T362 PolarHBondContact NZ-OG1 2.77Å; D360-T362 PolarHBondContact O-N 2.94Å; D360-T362 WeakPolarHBondContact OD1-CB 3.39Å; D360-T362 PolarHBondContact OD1-N 3.36Å; D360-T362 PolarHBondContact OD1-OG1 2.65Å; D360-T362 PolarHBondContact OD2-OG1 2.89Å | ||
| 363 | N | 90.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 68.1 Ų | 68.1 | 20% | 0.198 | 39% | 0.387 | C | S | . | . | trans | -99.2 | 146.6 | -179.9 | -162.7 | -15.3 | 0 | 0 | 0 | 111.6 | Y316 I365 | Y316-N363 WeakPolarHBondContact CB-ND2 3.47Å; Y316-N363 HydrophobicContact CD1-CB 4.18Å; Y316-N363 WeakPolarHBondContact CD1-ND2 3.44Å; Y316-N363 HydrophobicContact CD2-CB 4.21Å; Y316-N363 HydrophobicContact CE1-CB 4.45Å; Y316-N363 HydrophobicContact CE2-CB 4.46Å; Y316-N363 HydrophobicContact CG-CB 4.04Å; N363-I365 WeakPolarHBondContact OD1-CB 3.25Å; N363-I365 WeakPolarHBondContact OD1-CG1 3.47Å; N363-I365 PolarHBondContact OD1-N 3.49Å | ||
| 364 | F | 93.2 | Very high | 86.9 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -76.6 | -32 | 166.9 | -69.7 | -71.1 | 0 | 0 | 0 | 111.8 | A314 A323 V325 E356 K358 K366 | A314-F364 HydrophobicContact CB-CB 4.17Å; A323-F364 HydrophobicContact CB-CD2 3.69Å; A323-F364 HydrophobicContact CB-CE2 3.86Å; V325-F364 HydrophobicContact CB-CB 4.23Å; V325-F364 HydrophobicContact CB-CD1 4.39Å; V325-F364 HydrophobicContact CB-CD2 3.82Å; V325-F364 HydrophobicContact CB-CE2 4.25Å; V325-F364 HydrophobicContact CB-CG 3.9Å; V325-F364 HydrophobicContact CG1-CD1 3.81Å; V325-F364 HydrophobicContact CG1-CD2 3.79Å; V325-F364 HydrophobicContact CG1-CE1 3.82Å; V325-F364 HydrophobicContact CG1-CE2 3.81Å; V325-F364 HydrophobicContact CG1-CG 3.79Å; V325-F364 HydrophobicContact CG1-CZ 3.83Å; E356-F364 HydrophobicContact CB-CZ 4.29Å; E356-F364 HydrophobicContact CG-CE1 4.43Å; E356-F364 HydrophobicContact CG-CZ 3.9Å; K358-F364 HydrophobicContact CD-CE1 4.05Å; K358-F364 HydrophobicContact CD-CE2 3.92Å; K358-F364 HydrophobicContact CD-CZ 3.56Å; K358-F364 HydrophobicContact CG-CE2 3.83Å; K358-F364 HydrophobicContact CG-CZ 3.83Å; F364-K366 PolarHBondContact O-N 2.89Å |
| 365 | I | 92 | Very high | 85.4 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -65 | 124.1 | 174.1 | -54.5 | 166.9 | 0 | 0 | 0 | 108 | I216 A218 W234 A314 N363 P369 | I216-I365 HydrophobicContact CG2-CD1 4.15Å; A218-I365 HydrophobicContact CB-CD1 3.65Å; A218-I365 HydrophobicContact CB-CG1 4.07Å; A218-I365 HydrophobicContact CB-CG2 4.46Å; W234-I365 HydrophobicContact CB-CG2 3.79Å; W234-I365 HydrophobicContact CD2-CB 4.34Å; W234-I365 HydrophobicContact CD2-CG1 4.28Å; W234-I365 HydrophobicContact CD2-CG2 4.07Å; W234-I365 HydrophobicContact CE3-CG1 4.13Å; W234-I365 HydrophobicContact CG-CB 4.43Å; W234-I365 HydrophobicContact CG-CG2 3.69Å; W234-I365 HydrophobicContact CZ3-CG1 4.46Å; A314-I365 HydrophobicContact CB-CD1 4.32Å; A314-I365 HydrophobicContact CB-CG1 3.7Å; N363-I365 WeakPolarHBondContact OD1-CB 3.25Å; N363-I365 WeakPolarHBondContact OD1-CG1 3.47Å; N363-I365 PolarHBondContact OD1-N 3.49Å; I365-P369 HydrophobicContact CG2-CB 4.39Å |
| 366 | K | 89 | Confident | 84.3 | Confident | 142 Ų | 142 | 74.9 Ų | 74.9 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | trans | -101 | 127.7 | 177.4 | -60.5 | -56 | -177.1 | -168.6 | 0 | 109.2 | F364 | F364-K366 PolarHBondContact O-N 2.89Š| ||
| 367 | G | 87 | Confident | 83.5 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 71% | 0.711 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 74.4 | -174.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 368 | E | 86.7 | Confident | 82.8 | Confident | 153 Ų | 153 | 78.2 Ų | 78.2 | 72% | 0.715 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 127.2 | 172.8 | -175.4 | 60.3 | -153.7 | 0 | 0 | 109 | V370 | E368-V370 PolarHBondContact O-N 3.11Š|
| 369 | P | 90.2 | Very high | 81.9 | Confident | 10 Ų | 10 | 79.4 Ų | 79.4 | 7% | 0.065 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -65 | 133 | 177 | 26.7 | -34.6 | 0 | 0 | 0 | 111 | I216 A218 W234 L236 I365 D371 | I216-P369 HydrophobicContact CG2-CG 4.22Å; A218-P369 HydrophobicContact CB-CB 3.98Å; W234-P369 HydrophobicContact CB-CB 4.2Å; W234-P369 CarbonylContact O-C 3.58Å; W234-P369 WeakPolarHBondContact O-CA 3.33Å; L236-P369 HydrophobicContact CB-CB 4.15Å; L236-P369 HydrophobicContact CD1-CB 4.42Å; L236-P369 HydrophobicContact CD1-CG 4.02Å; I365-P369 HydrophobicContact CG2-CB 4.39Å; P369-D371 PolarHBondContact O-N 2.91Å |
| 370 | V | 89.2 | Confident | 80.6 | Confident | 60 Ų | 60 | 79.4 Ų | 79.4 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | 125.6 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | D233 W234 S235 L236 E368 S372 | D233-V370 HydrophobicContact CB-CG2 3.81Å; W234-V370 PolarHBondContact O-N 3.48Å; S235-V370 WeakPolarHBondContact CA-O 3.26Å; L236-V370 PolarHBondContact N-O 3.28Å; E368-V370 PolarHBondContact O-N 3.11Å; V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 WeakPolarHBondContact CG1-OG 3.28Å; V370-S372 PolarHBondContact O-N 2.92Å |
| 371 | D | 84 | Confident | 79.1 | Confident | 64 Ų | 64 | 84.3 Ų | 84.3 | 34% | 0.342 | 45% | 0.445 | S | S | . | . | trans | -86.5 | 72.5 | 169.3 | -168.2 | 31.3 | 0 | 0 | 0 | 108.7 | L236 K238 P369 A373 | L236-D371 HydrophobicContact CD2-CB 4.23Å; K238-D371 WeakPolarHBondContact CE-OD1 3.49Å; K238-D371 IonicContact NZ-OD1 3.7Å; K238-D371 PolarHBondContact NZ-OD1 3.07Å; K238-D371 IonicContact NZ-OD2 3.89Å; K238-D371 PolarHBondContact NZ-OD2 2.97Å; P369-D371 PolarHBondContact O-N 2.91Å; D371-A373 PolarHBondContact O-N 3.38Å | ||
| 372 | S | 66.2 | Low | 77.6 | Confident | 82 Ų | 82 | 86.9 Ų | 86.9 | 57% | 0.573 | 45% | 0.453 | S | S | * | . | trans | -61.2 | -11.1 | -174.6 | -57.3 | 0 | 0 | 0 | 0 | 114.1 | V370 | V370-S372 VanDerWaalsContact C-N 3.3Å; V370-S372 WeakPolarHBondContact CG1-OG 3.28Å; V370-S372 PolarHBondContact O-N 2.92Å | ||
| 373 | A | 59.3 | Low | 76.1 | Confident | 4 Ų | 4 | 87.1 Ų | 87.1 | 3% | 0.033 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -114 | 127.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W282 Q284 D371 | W282-A373 WeakPolarHBondContact O-CB 3.34Å; Q284-A373 HydrophobicContact CB-CB 3.95Å; D371-A373 PolarHBondContact O-N 3.38Å |
| 374 | G | 55.3 | Low | 74.8 | Confident | 49 Ų | 49 | 91.4 Ų | 91.4 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | trans | -51.4 | 149.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L376 | G374-L376 PolarHBondContact O-N 3.37Š| ||
| 375 | K | 63.3 | Low | 73.4 | Confident | 187 Ų | 187 | 93.6 Ų | 93.6 | 81% | 0.813 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -52.3 | -7.5 | -177 | -64.8 | 177.1 | 177.7 | 177.9 | 0 | 115.6 | ||
| 376 | L | 72.3 | Confident | 72.3 | Confident | 143 Ų | 143 | 96.7 Ų | 96.7 | 75% | 0.749 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 130 | -173.4 | -59.6 | 176.5 | 0 | 0 | 0 | 111.5 | G374 | G374-L376 PolarHBondContact O-N 3.37Š|
| 377 | R | 80.4 | Confident | 71.4 | Confident | 127 Ų | 127 | 93.5 Ų | 93.5 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -100.4 | 147.2 | 171 | -67 | 175.5 | -70.9 | -172.6 | 2.1 | 108.6 | R281 D343 S379 | R281-R377 HydrophobicContact CG-CG 4.22Å; D343-R377 IonicContact OD2-CZ 3.16Å; D343-R377 IonicContact OD2-NH1 2.69Å; R377-S379 PolarHBondContact O-N 3.45Å |
| 378 | Y | 79.2 | Confident | 70.7 | Confident | 98 Ų | 98 | 95.6 Ų | 95.6 | 38% | 0.384 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -78.8 | 120.6 | 168.3 | -69.9 | -73.9 | 0 | 0 | 0 | 109.7 | F280 W282 I344 | F280-Y378 AromaticContact CD1-CD2 3.42Å; F280-Y378 HydrophobicContact CD1-CD2 3.42Å; F280-Y378 VanDerWaalsContact CD1-CD2 3.42Å; F280-Y378 HydrophobicContact CD1-CE2 4.08Å; F280-Y378 HydrophobicContact CD1-CG 4.11Å; F280-Y378 AromaticContact CE1-CD2 3.8Å; F280-Y378 HydrophobicContact CE1-CD2 3.8Å; F280-Y378 AromaticContact CE1-CE2 3.99Å; F280-Y378 HydrophobicContact CE1-CE2 3.99Å; F280-Y378 HydrophobicContact CG-CD2 4.41Å; F280-Y378 PolarHBondContact O-N 2.94Å; F280-Y378 VanDerWaalsContact O-N 3.15Å; W282-Y378 HydrophobicContact CB-CE2 3.74Å; W282-Y378 WeakPolarHBondContact CB-OH 3.48Å; I344-Y378 PolarHBondContact N-O 3.31Å |
| 379 | S | 75.8 | Confident | 70 | Confident | 70 Ų | 70 | 95.9 Ų | 95.9 | 49% | 0.49 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -105.3 | 159.5 | 167.1 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | R377 K381 | R377-S379 PolarHBondContact O-N 3.45Å; S379-K381 PolarHBondContact O-N 3.02Å |
| 380 | F | 66.4 | Low | 69.2 | Low | 82 Ų | 82 | 98.8 Ų | 98.8 | 36% | 0.36 | 56% | 0.557 | S | S | . | * | trans | -56.3 | 122.5 | 172.2 | -179.8 | -93 | 0 | 0 | 0 | 110.3 | I338 P339 G342 | I338-F380 HydrophobicContact CG2-CD2 4.32Å; P339-F380 WeakPolarHBondContact O-CD2 3.5Å; G342-F380 PolarHBondContact O-N 3.02Å | ||
| 381 | K | 61 | Low | 68.4 | Low | 186 Ų | 186 | 100.9 Ų | 100.9 | 81% | 0.809 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -137 | 36.5 | 168.7 | -148.1 | -133.6 | -179.2 | -157.7 | 0 | 113.1 | S379 | S379-K381 PolarHBondContact O-N 3.02Š|
| 382 | E | 57.8 | Low | 67.7 | Low | 168 Ų | 168 | 101.3 Ų | 101.3 | 79% | 0.785 | 58% | 0.582 | S | S | * | * | trans | 80.5 | 95.8 | -170.2 | -52.4 | 174 | 166.3 | 0 | 0 | 112.9 | ||||
| 383 | V | 60 | Low | 67.4 | Low | 65 Ų | 65 | 103.3 Ų | 103.3 | 39% | 0.394 | 62% | 0.616 | S | S | . | * | trans | -88.9 | 103.4 | 161.9 | 177.6 | 0 | 0 | 0 | 0 | 106.6 | I338 V386 | I338-V383 HydrophobicContact CD1-CG1 4.37Å; I338-V383 HydrophobicContact CD1-CG2 4.32Å; I338-V383 HydrophobicContact CG2-CG2 4.09Å; V383-V386 HydrophobicContact CG1-CG2 3.79Å | ||
| 384 | S | 63.3 | Low | 67.8 | Low | 128 Ų | 128 | 108.3 Ų | 108.3 | 90% | 0.895 | 65% | 0.645 | S | S | * | * | trans | -72 | -28.8 | -178.2 | 51.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 385 | A | 63.8 | Low | 68.5 | Low | 70 Ų | 70 | 111.4 Ų | 111.4 | 58% | 0.579 | 65% | 0.652 | S | S | * | * | trans | -164.8 | 147.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 386 | V | 67.4 | Low | 68.8 | Low | 74 Ų | 74 | 107.2 Ų | 107.2 | 45% | 0.448 | 64% | 0.643 | S | S | . | * | trans | -103.6 | 131 | 160.2 | 176.8 | 0 | 0 | 0 | 0 | 106 | I338 V383 A392 G393 | I338-V386 HydrophobicContact CD1-CG2 3.89Å; V383-V386 HydrophobicContact CG1-CG2 3.79Å; V386-A392 CarbonylContact O-C 3.54Å; V386-A392 WeakPolarHBondContact O-CA 3.09Å; V386-G393 PolarHBondContact O-N 3.14Å | ||
| 387 | S | 71.6 | Confident | 68.6 | Low | 75 Ų | 75 | 105.1 Ų | 105.1 | 52% | 0.524 | 64% | 0.637 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -131.4 | 136.7 | 175.6 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | V391 | S387-V391 CarbonylContact C-O 3.52Å; S387-V391 WeakPolarHBondContact CA-O 3.42Å; S387-V391 WeakPolarHBondContact CB-O 3.34Å |
| 388 | L | 71.6 | Confident | 67.8 | Low | 113 Ų | 113 | 103.8 Ų | 103.8 | 59% | 0.592 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 114.6 | 171 | -160.2 | 138.3 | 0 | 0 | 0 | 108 | G390 V391 | L388-G390 PolarHBondContact O-N 3.1Å; L388-V391 PolarHBondContact N-O 2.93Å; L388-V391 WeakPolarHBondContact O-CB 3.16Å; L388-V391 PolarHBondContact O-N 3.13Å |
| 389 | N | 71.9 | Confident | 67.1 | Low | 159 Ų | 159 | 104.1 Ų | 104.1 | 85% | 0.85 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.7 | 38.3 | -175.3 | -62.2 | -28.3 | 0 | 0 | 0 | 114.2 | V391 | N389-V391 VanDerWaalsContact C-N 3.29Å; N389-V391 PolarHBondContact O-N 2.86Å |
| 390 | G | 72.8 | Confident | 66.5 | Low | 70 Ų | 70 | 106.6 Ų | 106.6 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81 | -0.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L388 | L388-G390 PolarHBondContact O-N 3.1Š|
| 391 | V | 72.9 | Confident | 66.5 | Low | 104 Ų | 104 | 108.5 Ų | 108.5 | 63% | 0.63 | 70% | 0.701 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 117.8 | 169.9 | -176 | 0 | 0 | 0 | 0 | 108.3 | S387 L388 N389 G393 | S387-V391 CarbonylContact C-O 3.52Å; S387-V391 WeakPolarHBondContact CA-O 3.42Å; S387-V391 WeakPolarHBondContact CB-O 3.34Å; L388-V391 PolarHBondContact N-O 2.93Å; L388-V391 WeakPolarHBondContact O-CB 3.16Å; L388-V391 PolarHBondContact O-N 3.13Å; N389-V391 VanDerWaalsContact C-N 3.29Å; N389-V391 PolarHBondContact O-N 2.86Å; V391-G393 PolarHBondContact O-N 3.03Å |
| 392 | A | 69.7 | Low | 66.9 | Low | 74 Ų | 74 | 102 Ų | 102 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -60.3 | 129.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | V386 | V386-A392 CarbonylContact O-C 3.54Å; V386-A392 WeakPolarHBondContact O-CA 3.09Å |
| 393 | G | 60.3 | Low | 67.8 | Low | 124 Ų | 124 | 96 Ų | 96 | 100% | 1.278 | 68% | 0.684 | S | S | * | * | trans | -81.6 | 0 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V386 V391 | V386-G393 PolarHBondContact O-N 3.14Å; V391-G393 PolarHBondContact O-N 3.03Å |
Retrieved 393 of 393 residues in 417.8 ms
(Link to these results)