| 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 | 60.8 | Low | 84.3 | Confident | 196 Ų | 196 | 90.6 Ų | 90.6 | 97% | 0.966 | 46% | 0.457 | S | S | * | . | 0 | 112.1 | 0 | -76.9 | -169.2 | -104 | 0 | 0 | 107.2 | |||||
| 2 | L | 73.4 | Confident | 85 | Confident | 89 Ų | 89 | 87.2 Ų | 87.2 | 47% | 0.466 | 44% | 0.44 | S | S | . | . | trans | -86.2 | 119.2 | 177.4 | -140.7 | 103.1 | 0 | 0 | 0 | 107.7 | F4 F23 L26 | L2-F4 WeakPolarHBondContact CD2-O 3.43Å; L2-F23 HydrophobicContact CB-CD1 4.09Å; L2-F23 HydrophobicContact CB-CE1 4.32Å; L2-F23 HydrophobicContact CD2-CD1 4.39Å; L2-F23 HydrophobicContact CD2-CE1 4.22Å; L2-L26 HydrophobicContact CD2-CD1 4.38Å; L2-L26 WeakPolarHBondContact O-CA 3.33Å; L2-L26 PolarHBondContact O-N 3.48Å | ||
| 3 | N | 79.9 | Confident | 85.4 | Confident | 63 Ų | 63 | 84.3 Ų | 84.3 | 34% | 0.337 | 44% | 0.438 | S | S | . | . | trans | -95.3 | -25.2 | -179.4 | -69.4 | -0.1 | 0 | 0 | 0 | 112.6 | Q27 E28 | N3-Q27 PolarHBondContact O-N 3.35Å; N3-E28 PolarHBondContact O-N 3.47Å; N3-E28 VanDerWaalsContact O-N 3.1Å | ||
| 4 | F | 83.7 | Confident | 85.6 | Confident | 103 Ų | 103 | 84 Ų | 84 | 45% | 0.452 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 138.1 | -177.3 | -51.1 | -91.6 | 0 | 0 | 0 | 109.9 | L2 Y6 E28 | L2-F4 WeakPolarHBondContact CD2-O 3.43Å; F4-Y6 HydrophobicContact CB-CE2 3.71Å; F4-E28 WeakPolarHBondContact CA-O 3.49Å; F4-E28 HydrophobicContact CD1-CB 3.68Å; F4-E28 HydrophobicContact CD1-CG 4.41Å; F4-E28 HydrophobicContact CE1-CB 4.25Å |
| 5 | S | 83.5 | Confident | 85.8 | Confident | 32 Ų | 32 | 79 Ų | 79 | 22% | 0.224 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 121 | 174.8 | -172.3 | 0 | 0 | 0 | 0 | 110 | E28 L29 S30 | S5-E28 PolarHBondContact N-O 3.13Å; S5-L29 WeakPolarHBondContact O-CA 3.35Å; S5-S30 PolarHBondContact O-N 3.26Å |
| 6 | Y | 87.4 | Confident | 85.7 | Confident | 131 Ų | 131 | 81.9 Ų | 81.9 | 51% | 0.514 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 108.6 | 178.9 | -55.3 | -87.4 | 0 | 0 | 0 | 108.3 | F4 E28 S30 | F4-Y6 HydrophobicContact CB-CE2 3.71Å; Y6-E28 HydrophobicContact CE1-CG 4.35Å; Y6-E28 PolarHBondContact OH-OE2 3.38Å; Y6-S30 VanDerWaalsContact CD1-CB 3.43Å |
| 7 | A | 89.3 | Confident | 85.2 | Confident | 26 Ų | 26 | 82.6 Ų | 82.6 | 22% | 0.215 | 43% | 0.425 | C | S | . | . | trans | -115.2 | 40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | N10 I12 S30 L31 N34 | A7-N10 PolarHBondContact O-ND2 3.44Å; A7-I12 HydrophobicContact CB-CD1 4.02Å; A7-S30 PolarHBondContact N-O 3.01Å; A7-L31 HydrophobicContact CB-CD2 3.76Å; A7-N34 PolarHBondContact O-ND2 2.89Å | ||
| 8 | D | 92.3 | Very high | 85 | Confident | 35 Ų | 35 | 84.4 Ų | 84.4 | 19% | 0.187 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 158.8 | -175.9 | -59.5 | -22.4 | 0 | 0 | 0 | 112.4 | N10 S30 L31 V32 | D8-N10 PolarHBondContact O-N 3.32Å; D8-N10 PolarHBondContact O-ND2 3.46Å; D8-S30 VanDerWaalsContact OD1-CB 3.24Å; D8-S30 WeakPolarHBondContact OD1-CB 3.39Å; D8-S30 VanDerWaalsContact OD1-O 3.11Å; D8-S30 PolarHBondContact OD1-OG 3.37Å; D8-S30 PolarHBondContact OD2-OG 3.02Å; D8-L31 WeakPolarHBondContact OD1-CA 3.45Å; D8-L31 PolarHBondContact OD1-N 3.03Å; D8-L31 VanDerWaalsContact OD1-N 3.16Å; D8-V32 CarbonylContact C-O 3.51Å; D8-V32 VanDerWaalsContact CA-O 3.25Å; D8-V32 WeakPolarHBondContact CA-O 3.3Å; D8-V32 HydrophobicContact CB-CB 4.16Å; D8-V32 PolarHBondContact OD1-N 3.08Å |
| 9 | F | 92.7 | Very high | 84.9 | Confident | 131 Ų | 131 | 83.1 Ų | 83.1 | 58% | 0.575 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 22.8 | 173.2 | -51 | -88.9 | 0 | 0 | 0 | 115.4 | V32 K33 | F9-V32 PolarHBondContact N-O 3.33Å; F9-K33 WeakPolarHBondContact CA-O 3.26Å; F9-K33 HydrophobicContact CD1-CB 4.04Å; F9-K33 HydrophobicContact CD1-CD 3.56Å; F9-K33 HydrophobicContact CD1-CG 4.14Å; F9-K33 HydrophobicContact CE1-CB 4.29Å; F9-K33 HydrophobicContact CE1-CD 3.72Å |
| 10 | N | 92.7 | Very high | 85 | Confident | 87 Ų | 87 | 79.8 Ų | 79.8 | 47% | 0.465 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -97.3 | -168.8 | 178.6 | -73.5 | -70.6 | 0 | 0 | 0 | 112.2 | A7 D8 I12 N34 | A7-N10 PolarHBondContact O-ND2 3.44Å; D8-N10 PolarHBondContact O-N 3.32Å; D8-N10 PolarHBondContact O-ND2 3.46Å; N10-I12 HydrophobicContact CB-CD1 4.14Å; N10-I12 HydrophobicContact CB-CG1 3.93Å; N10-N34 VanDerWaalsContact CA-OD1 3.31Å; N10-N34 WeakPolarHBondContact CA-OD1 3.32Å; N10-N34 WeakPolarHBondContact CB-OD1 3.37Å; N10-N34 PolarHBondContact N-OD1 2.93Å; N10-N34 PolarHBondContact O-OD1 2.91Å |
| 11 | V | 92.1 | Very high | 85 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 63% | 0.63 | 41% | 0.413 | S | S | * | . | trans | -109.7 | 22.7 | 176.1 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | A13 K35 | V11-A13 PolarHBondContact O-N 3.48Å; V11-A13 VanDerWaalsContact O-N 3.13Å; V11-K35 HydrophobicContact CB-CD 4.09Å; V11-K35 HydrophobicContact CG1-CD 4.4Å | ||
| 12 | I | 91.8 | Very high | 86.1 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 25% | 0.251 | 41% | 0.406 | S | S | . | . | trans | -62.4 | 117.2 | -174.5 | -55.5 | 168.2 | 0 | 0 | 0 | 108.9 | A7 N10 V15 L31 N34 K35 L36 | A7-I12 HydrophobicContact CB-CD1 4.02Å; N10-I12 HydrophobicContact CB-CD1 4.14Å; N10-I12 HydrophobicContact CB-CG1 3.93Å; I12-V15 HydrophobicContact CG2-CG2 4.44Å; I12-L31 HydrophobicContact CD1-CD2 4.02Å; I12-N34 HydrophobicContact CB-CB 4.29Å; I12-N34 VanDerWaalsContact CB-OD1 3.25Å; I12-N34 WeakPolarHBondContact CB-OD1 3.38Å; I12-N34 VanDerWaalsContact CG1-OD1 3.28Å; I12-N34 WeakPolarHBondContact CG1-OD1 3.36Å; I12-N34 PolarHBondContact N-OD1 3.23Å; I12-K35 CarbonylContact O-C 3.54Å; I12-K35 VanDerWaalsContact O-C 3.25Å; I12-K35 WeakPolarHBondContact O-CA 3.33Å; I12-K35 PolarHBondContact O-N 3.34Å; I12-L36 HydrophobicContact CG2-CD2 3.88Å; I12-L36 PolarHBondContact O-N 2.75Å; I12-L36 VanDerWaalsContact O-N 3.17Å | ||
| 13 | A | 90.6 | Very high | 86.8 | Confident | 50 Ų | 50 | 78 Ų | 78 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | trans | -99.1 | -27 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V11 K35 | V11-A13 PolarHBondContact O-N 3.48Å; V11-A13 VanDerWaalsContact O-N 3.13Å; A13-K35 HydrophobicContact CB-CB 4.45Å | ||
| 14 | V | 88.3 | Confident | 87.1 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | trans | -144.6 | 135.8 | -178.6 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | Q16 | V14-Q16 HydrophobicContact CG1-CG 4.5Š| ||
| 15 | V | 88.2 | Confident | 87.5 | Confident | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.055 | 39% | 0.388 | C | S | . | . | trans | -96.6 | 119.7 | 164.9 | -176.2 | 0 | 0 | 0 | 0 | 107.1 | I12 C19 F20 L31 L36 S40 A43 | I12-V15 HydrophobicContact CG2-CG2 4.44Å; V15-C19 HydrophobicContact CG1-CB 4.11Å; V15-F20 HydrophobicContact CG1-CD2 4.01Å; V15-F20 HydrophobicContact CG1-CE2 3.44Å; V15-F20 VanDerWaalsContact CG1-CE2 3.44Å; V15-F20 HydrophobicContact CG1-CZ 4.25Å; V15-L31 HydrophobicContact CG2-CD1 3.95Å; V15-L36 HydrophobicContact CG2-CD1 4.49Å; V15-L36 HydrophobicContact CG2-CD2 3.9Å; V15-S40 WeakPolarHBondContact O-CB 3.32Å; V15-S40 PolarHBondContact O-OG 2.87Å; V15-A43 HydrophobicContact CB-CB 4.19Å; V15-A43 HydrophobicContact CG1-CB 3.62Å | ||
| 16 | Q | 84.3 | Confident | 87.9 | Confident | 126 Ų | 126 | 72.5 Ų | 72.5 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | trans | -82.6 | 163.7 | 178.4 | -66.8 | -178.7 | -23.5 | 0 | 0 | 110.7 | V14 E18 C19 A43 | V14-Q16 HydrophobicContact CG1-CG 4.5Å; Q16-E18 VanDerWaalsContact C-N 3.27Å; Q16-E18 WeakPolarHBondContact CB-OE2 3.41Å; Q16-E18 PolarHBondContact O-N 3.24Å; Q16-C19 PolarHBondContact N-SG 3.16Å; Q16-C19 VanDerWaalsContact N-SG 3.44Å; Q16-C19 WeakPolarHBondContact O-CB 3.32Å; Q16-C19 PolarHBondContact O-N 3.37Å; Q16-C19 PolarHBondContact O-SG 3.33Å; Q16-A43 VanDerWaalsContact O-CB 3.32Å; Q16-A43 WeakPolarHBondContact O-CB 3.33Å | ||
| 17 | K | 77.9 | Confident | 88.4 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 41% | 0.409 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -61.4 | -41.1 | -175.9 | 178.4 | -172.9 | 179.1 | 175.4 | 0 | 111.4 | C19 E42 | K17-C19 PolarHBondContact O-N 3.42Å; K17-E42 HydrophobicContact CB-CB 4.31Å; K17-E42 HydrophobicContact CD-CB 4.29Å; K17-E42 WeakPolarHBondContact CD-OE2 3.29Å; K17-E42 HydrophobicContact CG-CB 4.03Å; K17-E42 IonicContact NZ-OE2 2.67Å |
| 18 | E | 80.6 | Confident | 88.8 | Confident | 115 Ų | 115 | 71.2 Ų | 71.2 | 54% | 0.537 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -71.5 | -19.4 | -172.4 | -56.9 | 75.3 | -163.6 | 0 | 0 | 112.2 | Q16 F20 E21 | Q16-E18 VanDerWaalsContact C-N 3.27Å; Q16-E18 WeakPolarHBondContact CB-OE2 3.41Å; Q16-E18 PolarHBondContact O-N 3.24Å; E18-F20 PolarHBondContact O-N 3.38Å; E18-F20 VanDerWaalsContact O-N 3.07Å; E18-E21 PolarHBondContact O-N 2.81Å |
| 19 | C | 83.9 | Confident | 88.9 | Confident | 58 Ų | 58 | 69.6 Ų | 69.6 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -55.7 | -32 | -175.3 | -68.1 | 0 | 0 | 0 | 0 | 113.4 | V15 Q16 K17 F23 | V15-C19 HydrophobicContact CG1-CB 4.11Å; Q16-C19 PolarHBondContact N-SG 3.16Å; Q16-C19 VanDerWaalsContact N-SG 3.44Å; Q16-C19 WeakPolarHBondContact O-CB 3.32Å; Q16-C19 PolarHBondContact O-N 3.37Å; Q16-C19 PolarHBondContact O-SG 3.33Å; K17-C19 PolarHBondContact O-N 3.42Å; C19-F23 WeakPolarHBondContact O-CD2 3.35Å; C19-F23 WeakPolarHBondContact O-CE2 3.46Å |
| 20 | F | 87 | Confident | 89.1 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -120.6 | 5.5 | -171.1 | -62.7 | -52.9 | 0 | 0 | 0 | 114.9 | V15 E18 N22 F23 L29 A43 F44 L47 | V15-F20 HydrophobicContact CG1-CD2 4.01Å; V15-F20 HydrophobicContact CG1-CE2 3.44Å; V15-F20 VanDerWaalsContact CG1-CE2 3.44Å; V15-F20 HydrophobicContact CG1-CZ 4.25Å; E18-F20 PolarHBondContact O-N 3.38Å; E18-F20 VanDerWaalsContact O-N 3.07Å; F20-N22 VanDerWaalsContact C-N 3.25Å; F20-N22 PolarHBondContact O-N 3.03Å; F20-F23 HydrophobicContact CD1-CB 4.49Å; F20-F23 HydrophobicContact CD1-CD2 4.31Å; F20-F23 PolarHBondContact O-N 3.16Å; F20-L29 HydrophobicContact CE1-CD1 4.11Å; F20-L29 HydrophobicContact CE1-CD2 4.14Å; F20-L29 HydrophobicContact CE2-CD2 3.77Å; F20-L29 HydrophobicContact CZ-CD1 3.9Å; F20-L29 HydrophobicContact CZ-CD2 3.52Å; F20-L29 HydrophobicContact CZ-CG 4.4Å; F20-A43 WeakPolarHBondContact CD2-O 3.09Å; F20-F44 HydrophobicContact CD2-CD1 4.26Å; F20-F44 HydrophobicContact CD2-CE1 4.37Å; F20-F44 HydrophobicContact CE2-CD1 4.16Å; F20-F44 AromaticContact CE2-CE1 3.83Å; F20-F44 HydrophobicContact CE2-CE1 3.83Å; F20-L47 HydrophobicContact CB-CD1 4.24Å; F20-L47 HydrophobicContact CB-CD2 3.82Å; F20-L47 HydrophobicContact CB-CG 4.03Å; F20-L47 HydrophobicContact CD1-CD1 4.49Å; F20-L47 HydrophobicContact CD2-CD1 4.02Å; F20-L47 HydrophobicContact CE2-CD1 4.5Å; F20-L47 HydrophobicContact CG-CD1 4.01Å; F20-L47 HydrophobicContact CG-CD2 4.25Å; F20-L47 HydrophobicContact CG-CG 4.34Å |
| 21 | E | 84.4 | Confident | 89.3 | Confident | 92 Ų | 92 | 59.8 Ų | 59.8 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -37.8 | -175.5 | -75.2 | -175.4 | 168.5 | 0 | 0 | 113.1 | E18 P46 | E18-E21 PolarHBondContact O-N 2.81Å; E21-P46 HydrophobicContact CG-CG 4.46Å |
| 22 | N | 84.8 | Confident | 89.6 | Confident | 153 Ų | 153 | 55.5 Ų | 55.5 | 82% | 0.818 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 3.4 | -179.9 | -67.5 | -27.8 | 0 | 0 | 0 | 114.3 | F20 | F20-N22 VanDerWaalsContact C-N 3.25Å; F20-N22 PolarHBondContact O-N 3.03Å |
| 23 | F | 86.4 | Confident | 89.8 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | trans | -105.8 | 35.4 | -175 | -64.7 | -83.4 | 0 | 0 | 0 | 113 | L2 C19 F20 S25 L26 L47 | L2-F23 HydrophobicContact CB-CD1 4.09Å; L2-F23 HydrophobicContact CB-CE1 4.32Å; L2-F23 HydrophobicContact CD2-CD1 4.39Å; L2-F23 HydrophobicContact CD2-CE1 4.22Å; C19-F23 WeakPolarHBondContact O-CD2 3.35Å; C19-F23 WeakPolarHBondContact O-CE2 3.46Å; F20-F23 HydrophobicContact CD1-CB 4.49Å; F20-F23 HydrophobicContact CD1-CD2 4.31Å; F20-F23 PolarHBondContact O-N 3.16Å; F23-S25 PolarHBondContact O-N 2.79Å; F23-L26 VanDerWaalsContact O-CB 3.31Å; F23-L26 WeakPolarHBondContact O-CB 3.33Å; F23-L26 PolarHBondContact O-N 3.03Å; F23-L47 HydrophobicContact CB-CD2 4.27Å; F23-L47 VanDerWaalsContact O-CD2 3.28Å; F23-L47 WeakPolarHBondContact O-CD2 3.04Å | ||
| 24 | T | 87.3 | Confident | 90.1 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -13.9 | -176.4 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | P46 | T24-P46 HydrophobicContact CG2-CB 4.38Š|
| 25 | S | 91.1 | Very high | 90.4 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 12% | 0.119 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5.6 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 114.3 | F23 Q27 | F23-S25 PolarHBondContact O-N 2.79Å; S25-Q27 PolarHBondContact O-N 3.4Å |
| 26 | L | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -63.4 | 131.6 | -175 | -157.9 | 73 | 0 | 0 | 0 | 111.1 | L2 F23 E28 L29 L47 R49 L50 | L2-L26 HydrophobicContact CD2-CD1 4.38Å; L2-L26 WeakPolarHBondContact O-CA 3.33Å; L2-L26 PolarHBondContact O-N 3.48Å; F23-L26 VanDerWaalsContact O-CB 3.31Å; F23-L26 WeakPolarHBondContact O-CB 3.33Å; F23-L26 PolarHBondContact O-N 3.03Å; L26-E28 WeakPolarHBondContact CG-O 3.49Å; L26-L29 HydrophobicContact CD2-CB 3.83Å; L26-L29 HydrophobicContact CD2-CD1 4.18Å; L26-L29 HydrophobicContact CD2-CD2 4.48Å; L26-L29 HydrophobicContact CD2-CG 4.38Å; L26-L47 HydrophobicContact CB-CD2 4.07Å; L26-L47 HydrophobicContact CD2-CD1 4.42Å; L26-L47 HydrophobicContact CD2-CD2 4.28Å; L26-R49 CarbonylContact O-C 3.37Å; L26-L50 HydrophobicContact CB-CD1 4.16Å; L26-L50 HydrophobicContact CD2-CD1 3.91Å; L26-L50 HydrophobicContact CG-CD1 3.91Å; L26-L50 VanDerWaalsContact O-CA 3.28Å; L26-L50 WeakPolarHBondContact O-CA 3.26Å; L26-L50 PolarHBondContact O-N 3.03Å; L26-L50 VanDerWaalsContact O-N 3.14Å | ||
| 27 | Q | 96.1 | Very high | 91.3 | Very high | 76 Ų | 76 | 59 Ų | 59 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | trans | -107.2 | -31 | 177.8 | -70.1 | 178.7 | -31.6 | 0 | 0 | 111.7 | N3 S25 E51 S52 | N3-Q27 PolarHBondContact O-N 3.35Å; S25-Q27 PolarHBondContact O-N 3.4Å; Q27-E51 PolarHBondContact O-N 2.97Å; Q27-S52 PolarHBondContact O-N 3.44Å | ||
| 28 | E | 97.5 | Very high | 91.9 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 25% | 0.252 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.8 | 178 | -178.5 | 164.7 | -171.5 | 0 | 0 | 111.8 | N3 F4 S5 Y6 L26 S52 | N3-E28 PolarHBondContact O-N 3.47Å; N3-E28 VanDerWaalsContact O-N 3.1Å; F4-E28 WeakPolarHBondContact CA-O 3.49Å; F4-E28 HydrophobicContact CD1-CB 3.68Å; F4-E28 HydrophobicContact CD1-CG 4.41Å; F4-E28 HydrophobicContact CE1-CB 4.25Å; S5-E28 PolarHBondContact N-O 3.13Å; Y6-E28 HydrophobicContact CE1-CG 4.35Å; Y6-E28 PolarHBondContact OH-OE2 3.38Å; L26-E28 WeakPolarHBondContact CG-O 3.49Å; E28-S52 WeakPolarHBondContact CA-O 3.3Å |
| 29 | L | 96 | Very high | 92.3 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 124 | 177.1 | 177.7 | 59.4 | 0 | 0 | 0 | 110.1 | S5 F20 L26 L31 F44 L47 L50 S52 L53 D54 | S5-L29 WeakPolarHBondContact O-CA 3.35Å; F20-L29 HydrophobicContact CE1-CD1 4.11Å; F20-L29 HydrophobicContact CE1-CD2 4.14Å; F20-L29 HydrophobicContact CE2-CD2 3.77Å; F20-L29 HydrophobicContact CZ-CD1 3.9Å; F20-L29 HydrophobicContact CZ-CD2 3.52Å; F20-L29 HydrophobicContact CZ-CG 4.4Å; L26-L29 HydrophobicContact CD2-CB 3.83Å; L26-L29 HydrophobicContact CD2-CD1 4.18Å; L26-L29 HydrophobicContact CD2-CD2 4.48Å; L26-L29 HydrophobicContact CD2-CG 4.38Å; L29-L31 HydrophobicContact CD1-CG 4.33Å; L29-L31 HydrophobicContact CD2-CD1 4.35Å; L29-L31 HydrophobicContact CG-CD1 4.48Å; L29-L31 HydrophobicContact CG-CG 4.4Å; L29-F44 HydrophobicContact CD2-CD1 4.24Å; L29-F44 HydrophobicContact CD2-CE1 3.77Å; L29-L47 HydrophobicContact CD2-CD1 3.96Å; L29-L50 HydrophobicContact CB-CD1 3.82Å; L29-L50 HydrophobicContact CB-CD2 4.16Å; L29-S52 PolarHBondContact N-O 2.9Å; L29-L53 HydrophobicContact CB-CD1 4.02Å; L29-L53 HydrophobicContact CD2-CD1 3.89Å; L29-L53 HydrophobicContact CG-CD1 3.95Å; L29-L53 WeakPolarHBondContact O-CA 3.14Å; L29-D54 PolarHBondContact O-N 3.35Å |
| 30 | S | 97.2 | Very high | 92.3 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128.7 | 175.6 | -165.6 | 0 | 0 | 0 | 0 | 110.4 | S5 Y6 A7 D8 V32 | S5-S30 PolarHBondContact O-N 3.26Å; Y6-S30 VanDerWaalsContact CD1-CB 3.43Å; A7-S30 PolarHBondContact N-O 3.01Å; D8-S30 VanDerWaalsContact OD1-CB 3.24Å; D8-S30 WeakPolarHBondContact OD1-CB 3.39Å; D8-S30 VanDerWaalsContact OD1-O 3.11Å; D8-S30 PolarHBondContact OD1-OG 3.37Å; D8-S30 PolarHBondContact OD2-OG 3.02Å; S30-V32 WeakPolarHBondContact OG-CG2 3.43Å |
| 31 | L | 96.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | trans | -129 | 32.9 | 176.2 | -65.9 | 168.4 | 0 | 0 | 0 | 110.8 | A7 D8 I12 V15 L29 N34 L36 D54 L55 N58 | A7-L31 HydrophobicContact CB-CD2 3.76Å; D8-L31 WeakPolarHBondContact OD1-CA 3.45Å; D8-L31 PolarHBondContact OD1-N 3.03Å; D8-L31 VanDerWaalsContact OD1-N 3.16Å; I12-L31 HydrophobicContact CD1-CD2 4.02Å; V15-L31 HydrophobicContact CG2-CD1 3.95Å; L29-L31 HydrophobicContact CD1-CG 4.33Å; L29-L31 HydrophobicContact CD2-CD1 4.35Å; L29-L31 HydrophobicContact CG-CD1 4.48Å; L29-L31 HydrophobicContact CG-CG 4.4Å; L31-N34 PolarHBondContact O-ND2 3.36Å; L31-L36 HydrophobicContact CB-CD1 4.2Å; L31-L36 HydrophobicContact CD1-CD1 4.15Å; L31-D54 PolarHBondContact N-O 3.01Å; L31-L55 HydrophobicContact CB-CD2 3.95Å; L31-L55 HydrophobicContact CD1-CD2 3.78Å; L31-L55 HydrophobicContact CG-CD2 4.37Å; L31-N58 PolarHBondContact O-ND2 2.9Å | ||
| 32 | V | 97.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 56.7 Ų | 56.7 | 9% | 0.085 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 141.9 | -175.2 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | D8 F9 S30 N34 D54 S56 R57 | D8-V32 CarbonylContact C-O 3.51Å; D8-V32 VanDerWaalsContact CA-O 3.25Å; D8-V32 WeakPolarHBondContact CA-O 3.3Å; D8-V32 HydrophobicContact CB-CB 4.16Å; D8-V32 PolarHBondContact OD1-N 3.08Å; F9-V32 PolarHBondContact N-O 3.33Å; S30-V32 WeakPolarHBondContact OG-CG2 3.43Å; V32-N34 PolarHBondContact O-N 3.2Å; V32-N34 PolarHBondContact O-ND2 3.21Å; V32-D54 HydrophobicContact CG2-CB 3.92Å; V32-D54 VanDerWaalsContact CG2-OD1 3.28Å; V32-D54 WeakPolarHBondContact CG2-OD1 3.35Å; V32-S56 WeakPolarHBondContact CA-O 3.47Å; V32-S56 WeakPolarHBondContact CG2-OG 3.36Å; V32-R57 HydrophobicContact CG1-CB 4.35Å; V32-R57 HydrophobicContact CG1-CG 4.45Å |
| 33 | K | 97 | Very high | 91.5 | Very high | 112 Ų | 112 | 49.4 Ų | 49.4 | 49% | 0.487 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 48.1 | 173 | -166.3 | 166.8 | 157.7 | -163.5 | 0 | 112.9 | F9 S56 R57 | F9-K33 WeakPolarHBondContact CA-O 3.26Å; F9-K33 HydrophobicContact CD1-CB 4.04Å; F9-K33 HydrophobicContact CD1-CD 3.56Å; F9-K33 HydrophobicContact CD1-CG 4.14Å; F9-K33 HydrophobicContact CE1-CB 4.29Å; F9-K33 HydrophobicContact CE1-CD 3.72Å; K33-S56 PolarHBondContact N-O 3.09Å; K33-R57 VanDerWaalsContact CA-O 3.3Å; K33-R57 WeakPolarHBondContact CA-O 3.31Å; K33-R57 HydrophobicContact CB-CB 4.08Å |
| 34 | N | 96.5 | Very high | 91.6 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -106 | -163 | 171.4 | -88.1 | -74.9 | 0 | 0 | 0 | 111.4 | A7 N10 I12 L31 V32 L36 N58 | A7-N34 PolarHBondContact O-ND2 2.89Å; N10-N34 VanDerWaalsContact CA-OD1 3.31Å; N10-N34 WeakPolarHBondContact CA-OD1 3.32Å; N10-N34 WeakPolarHBondContact CB-OD1 3.37Å; N10-N34 PolarHBondContact N-OD1 2.93Å; N10-N34 PolarHBondContact O-OD1 2.91Å; I12-N34 HydrophobicContact CB-CB 4.29Å; I12-N34 VanDerWaalsContact CB-OD1 3.25Å; I12-N34 WeakPolarHBondContact CB-OD1 3.38Å; I12-N34 VanDerWaalsContact CG1-OD1 3.28Å; I12-N34 WeakPolarHBondContact CG1-OD1 3.36Å; I12-N34 PolarHBondContact N-OD1 3.23Å; L31-N34 PolarHBondContact O-ND2 3.36Å; V32-N34 PolarHBondContact O-N 3.2Å; V32-N34 PolarHBondContact O-ND2 3.21Å; N34-L36 HydrophobicContact CB-CG 4.35Å; N34-N58 VanDerWaalsContact CA-OD1 3.22Å; N34-N58 WeakPolarHBondContact CA-OD1 3.46Å; N34-N58 WeakPolarHBondContact CB-OD1 3.39Å; N34-N58 PolarHBondContact N-OD1 3.07Å; N34-N58 PolarHBondContact O-OD1 3.34Å |
| 35 | K | 95.7 | Very high | 91.7 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 36% | 0.357 | 21% | 0.211 | S | C | . | . | trans | -114.5 | 20.3 | 179.5 | -64.4 | -178.4 | -179 | 169.5 | 0 | 112.9 | V11 I12 A13 R37 N58 | V11-K35 HydrophobicContact CB-CD 4.09Å; V11-K35 HydrophobicContact CG1-CD 4.4Å; I12-K35 CarbonylContact O-C 3.54Å; I12-K35 VanDerWaalsContact O-C 3.25Å; I12-K35 WeakPolarHBondContact O-CA 3.33Å; I12-K35 PolarHBondContact O-N 3.34Å; A13-K35 HydrophobicContact CB-CB 4.45Å; K35-R37 PolarHBondContact O-N 2.91Å; K35-N58 PolarHBondContact N-OD1 3.42Å | ||
| 36 | L | 96.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | trans | -60.4 | 125.8 | -175.7 | -60.2 | 175.3 | 0 | 0 | 0 | 110.7 | I12 V15 L31 N34 L55 N58 R59 L60 | I12-L36 HydrophobicContact CG2-CD2 3.88Å; I12-L36 PolarHBondContact O-N 2.75Å; I12-L36 VanDerWaalsContact O-N 3.17Å; V15-L36 HydrophobicContact CG2-CD1 4.49Å; V15-L36 HydrophobicContact CG2-CD2 3.9Å; L31-L36 HydrophobicContact CB-CD1 4.2Å; L31-L36 HydrophobicContact CD1-CD1 4.15Å; N34-L36 HydrophobicContact CB-CG 4.35Å; L36-L55 HydrophobicContact CD1-CD2 4.09Å; L36-N58 HydrophobicContact CB-CB 4.11Å; L36-N58 WeakPolarHBondContact CB-OD1 3.3Å; L36-N58 WeakPolarHBondContact CG-OD1 3.34Å; L36-N58 PolarHBondContact N-OD1 2.69Å; L36-R59 CarbonylContact O-C 3.42Å; L36-R59 VanDerWaalsContact O-CA 3.25Å; L36-R59 WeakPolarHBondContact O-CA 3.5Å; L36-R59 WeakPolarHBondContact O-CB 3.46Å; L36-R59 PolarHBondContact O-N 2.9Å; L36-L60 HydrophobicContact CB-CD2 4.22Å; L36-L60 PolarHBondContact O-N 2.66Å | ||
| 37 | R | 93.6 | Very high | 91.5 | Very high | 180 Ų | 180 | 46.3 Ų | 46.3 | 68% | 0.679 | 22% | 0.215 | S | C | * | . | trans | -101.5 | -20.1 | 178.2 | -62.9 | -175.3 | -176 | -167.6 | 1.8 | 113.5 | K35 R59 | K35-R37 PolarHBondContact O-N 2.91Å; R37-R59 HydrophobicContact CG-CB 4.41Å | ||
| 38 | K | 90.5 | Very high | 91.3 | Very high | 118 Ų | 118 | 45.3 Ų | 45.3 | 51% | 0.513 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -143.8 | 154 | 177.5 | 65 | 176.1 | -177 | 176.4 | 0 | 110.3 | L60 | K38-L60 VanDerWaalsContact C-CD2 3.44Š|
| 39 | V | 89.3 | Confident | 91.1 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | trans | -82 | 119.4 | 166.2 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | K41 F44 L55 L60 I63 S67 F68 | V39-K41 PolarHBondContact O-N 3.27Å; V39-F44 HydrophobicContact CG1-CD2 3.96Å; V39-F44 HydrophobicContact CG1-CE2 3.6Å; V39-L55 HydrophobicContact CG2-CD1 4.14Å; V39-L60 HydrophobicContact CG2-CD1 4.01Å; V39-L60 HydrophobicContact CG2-CD2 4.2Å; V39-I63 HydrophobicContact CG2-CD1 3.73Å; V39-S67 WeakPolarHBondContact CG1-O 3.15Å; V39-F68 HydrophobicContact CG1-CD1 4.19Å; V39-F68 HydrophobicContact CG1-CE1 3.86Å; V39-F68 HydrophobicContact CG1-CZ 4.23Å; V39-F68 HydrophobicContact CG2-CE1 4.33Å; V39-F68 HydrophobicContact CG2-CZ 4.07Å | ||
| 40 | S | 85 | Confident | 91.1 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | trans | -76 | 105.2 | 179.1 | -68.3 | 0 | 0 | 0 | 0 | 110.5 | V15 E42 A43 | V15-S40 WeakPolarHBondContact O-CB 3.32Å; V15-S40 PolarHBondContact O-OG 2.87Å; S40-E42 PolarHBondContact O-N 2.84Å; S40-E42 VanDerWaalsContact O-N 3.11Å; S40-A43 PolarHBondContact O-N 2.99Å; S40-A43 VanDerWaalsContact O-N 3.15Å | ||
| 41 | K | 75.3 | Confident | 91.2 | Very high | 66 Ų | 66 | 52 Ų | 52 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -36.4 | -173 | -53.5 | -162.6 | -179.4 | -171.4 | 0 | 114.1 | V39 V45 W65 | V39-K41 PolarHBondContact O-N 3.27Å; K41-V45 WeakPolarHBondContact O-CG2 3.47Å; K41-W65 VanDerWaalsContact CE-O 3.29Å; K41-W65 WeakPolarHBondContact CE-O 3.45Å; K41-W65 PolarHBondContact NZ-O 2.78Å |
| 42 | E | 80.2 | Confident | 91.3 | Very high | 117 Ų | 117 | 52.6 Ų | 52.6 | 55% | 0.547 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -22.8 | -175 | -61 | -173.8 | -171.5 | 0 | 0 | 113.6 | K17 S40 F44 V45 | K17-E42 HydrophobicContact CB-CB 4.31Å; K17-E42 HydrophobicContact CD-CB 4.29Å; K17-E42 WeakPolarHBondContact CD-OE2 3.29Å; K17-E42 HydrophobicContact CG-CB 4.03Å; K17-E42 IonicContact NZ-OE2 2.67Å; S40-E42 PolarHBondContact O-N 2.84Å; S40-E42 VanDerWaalsContact O-N 3.11Å; E42-F44 VanDerWaalsContact C-N 3.31Å; E42-F44 PolarHBondContact O-N 3.33Å; E42-V45 PolarHBondContact O-N 3.06Å |
| 43 | A | 83.9 | Confident | 91.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -32.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V15 Q16 F20 S40 | V15-A43 HydrophobicContact CB-CB 4.19Å; V15-A43 HydrophobicContact CG1-CB 3.62Å; Q16-A43 VanDerWaalsContact O-CB 3.32Å; Q16-A43 WeakPolarHBondContact O-CB 3.33Å; F20-A43 WeakPolarHBondContact CD2-O 3.09Å; S40-A43 PolarHBondContact O-N 2.99Å; S40-A43 VanDerWaalsContact O-N 3.15Å |
| 44 | F | 88.8 | Confident | 91.3 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.009 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -6.3 | -176.7 | -58.5 | -57.1 | 0 | 0 | 0 | 113.8 | F20 L29 V39 E42 P46 L47 L53 L71 | F20-F44 HydrophobicContact CD2-CD1 4.26Å; F20-F44 HydrophobicContact CD2-CE1 4.37Å; F20-F44 HydrophobicContact CE2-CD1 4.16Å; F20-F44 AromaticContact CE2-CE1 3.83Å; F20-F44 HydrophobicContact CE2-CE1 3.83Å; L29-F44 HydrophobicContact CD2-CD1 4.24Å; L29-F44 HydrophobicContact CD2-CE1 3.77Å; V39-F44 HydrophobicContact CG1-CD2 3.96Å; V39-F44 HydrophobicContact CG1-CE2 3.6Å; E42-F44 VanDerWaalsContact C-N 3.31Å; E42-F44 PolarHBondContact O-N 3.33Å; F44-P46 VanDerWaalsContact C-CD 3.45Å; F44-L47 HydrophobicContact CD1-CD1 3.93Å; F44-L47 WeakPolarHBondContact O-CB 3.47Å; F44-L47 PolarHBondContact O-N 3.42Å; F44-L53 HydrophobicContact CE1-CD1 4.45Å; F44-L71 HydrophobicContact CB-CD1 4.09Å; F44-L71 HydrophobicContact CB-CD2 3.92Å; F44-L71 HydrophobicContact CB-CG 4Å; F44-L71 HydrophobicContact CG-CD1 4.44Å; F44-L71 WeakPolarHBondContact O-CD2 3.23Å |
| 45 | V | 88 | Confident | 91.4 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -40.8 | -176.5 | 175.5 | 0 | 0 | 0 | 0 | 113.5 | K41 E42 L47 | K41-V45 WeakPolarHBondContact O-CG2 3.47Å; E42-V45 PolarHBondContact O-N 3.06Å; V45-L47 PolarHBondContact O-N 3.49Å |
| 46 | P | 89.9 | Confident | 91.5 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19.4 | 178.9 | -20.4 | 33.9 | 0 | 0 | 0 | 114.2 | E21 T24 F44 S48 | E21-P46 HydrophobicContact CG-CG 4.46Å; T24-P46 HydrophobicContact CG2-CB 4.38Å; F44-P46 VanDerWaalsContact C-CD 3.45Å; P46-S48 PolarHBondContact O-N 3.28Å |
| 47 | L | 91.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -83 | 50 | -170.4 | -58.1 | -176.3 | 0 | 0 | 0 | 112.6 | F20 F23 L26 L29 F44 V45 R49 L50 L71 | F20-L47 HydrophobicContact CB-CD1 4.24Å; F20-L47 HydrophobicContact CB-CD2 3.82Å; F20-L47 HydrophobicContact CB-CG 4.03Å; F20-L47 HydrophobicContact CD1-CD1 4.49Å; F20-L47 HydrophobicContact CD2-CD1 4.02Å; F20-L47 HydrophobicContact CE2-CD1 4.5Å; F20-L47 HydrophobicContact CG-CD1 4.01Å; F20-L47 HydrophobicContact CG-CD2 4.25Å; F20-L47 HydrophobicContact CG-CG 4.34Å; F23-L47 HydrophobicContact CB-CD2 4.27Å; F23-L47 VanDerWaalsContact O-CD2 3.28Å; F23-L47 WeakPolarHBondContact O-CD2 3.04Å; L26-L47 HydrophobicContact CB-CD2 4.07Å; L26-L47 HydrophobicContact CD2-CD1 4.42Å; L26-L47 HydrophobicContact CD2-CD2 4.28Å; L29-L47 HydrophobicContact CD2-CD1 3.96Å; F44-L47 HydrophobicContact CD1-CD1 3.93Å; F44-L47 WeakPolarHBondContact O-CB 3.47Å; F44-L47 PolarHBondContact O-N 3.42Å; V45-L47 PolarHBondContact O-N 3.49Å; L47-R49 PolarHBondContact O-N 3.48Å; L47-R49 VanDerWaalsContact O-N 3.14Å; L47-L50 HydrophobicContact CB-CB 4.09Å; L47-L50 HydrophobicContact CD1-CD2 4.15Å; L47-L50 WeakPolarHBondContact O-CB 3.2Å; L47-L50 PolarHBondContact O-N 3.38Å; L47-L50 VanDerWaalsContact O-N 3.11Å; L47-L71 HydrophobicContact CB-CD2 3.73Å; L47-L71 WeakPolarHBondContact O-CD2 3.27Å | ||
| 48 | S | 90.8 | Very high | 91.8 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 38% | 0.378 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.7 | -176.4 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | P46 G70 N73 | P46-S48 PolarHBondContact O-N 3.28Å; S48-G70 WeakPolarHBondContact CA-O 3.27Å; S48-N73 PolarHBondContact O-ND2 3.05Å |
| 49 | R | 94.3 | Very high | 92.1 | Very high | 137 Ų | 137 | 40.6 Ų | 40.6 | 52% | 0.517 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -1.2 | 176.8 | -66.8 | -174.7 | 178 | 177.8 | 0.9 | 114.4 | L26 L47 E51 | L26-R49 CarbonylContact O-C 3.37Å; L47-R49 PolarHBondContact O-N 3.48Å; L47-R49 VanDerWaalsContact O-N 3.14Å; R49-E51 PolarHBondContact O-N 3.25Å |
| 50 | L | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -67.3 | 126.8 | -177.1 | -159.6 | 76.2 | 0 | 0 | 0 | 110.6 | L26 L29 L47 L53 L71 N73 L74 | L26-L50 HydrophobicContact CB-CD1 4.16Å; L26-L50 HydrophobicContact CD2-CD1 3.91Å; L26-L50 HydrophobicContact CG-CD1 3.91Å; L26-L50 VanDerWaalsContact O-CA 3.28Å; L26-L50 WeakPolarHBondContact O-CA 3.26Å; L26-L50 PolarHBondContact O-N 3.03Å; L26-L50 VanDerWaalsContact O-N 3.14Å; L29-L50 HydrophobicContact CB-CD1 3.82Å; L29-L50 HydrophobicContact CB-CD2 4.16Å; L47-L50 HydrophobicContact CB-CB 4.09Å; L47-L50 HydrophobicContact CD1-CD2 4.15Å; L47-L50 WeakPolarHBondContact O-CB 3.2Å; L47-L50 PolarHBondContact O-N 3.38Å; L47-L50 VanDerWaalsContact O-N 3.11Å; L50-L53 HydrophobicContact CD2-CB 4Å; L50-L53 HydrophobicContact CD2-CD1 4.34Å; L50-L71 HydrophobicContact CB-CD2 4.04Å; L50-L71 HydrophobicContact CD2-CD1 4.45Å; L50-L71 HydrophobicContact CD2-CD2 3.83Å; L50-N73 CarbonylContact O-C 3.53Å; L50-L74 HydrophobicContact CB-CD1 4.45Å; L50-L74 HydrophobicContact CD2-CD1 4.03Å; L50-L74 HydrophobicContact CG-CD1 4.14Å; L50-L74 VanDerWaalsContact O-CA 3.28Å; L50-L74 WeakPolarHBondContact O-CA 3.14Å; L50-L74 PolarHBondContact O-N 2.64Å; L50-L74 VanDerWaalsContact O-N 3.12Å | ||
| 51 | E | 98.1 | Very high | 93 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 31% | 0.308 | 22% | 0.219 | S | C | . | . | trans | -105.8 | -28.1 | 177.9 | -60.3 | -165.2 | 178.4 | 0 | 0 | 112.2 | Q27 R49 R75 F76 | Q27-E51 PolarHBondContact O-N 2.97Å; R49-E51 PolarHBondContact O-N 3.25Å; E51-R75 WeakPolarHBondContact O-CA 2.97Å; E51-R75 PolarHBondContact O-N 2.94Å; E51-R75 IonicContact OE2-NE 3.13Å; E51-F76 PolarHBondContact O-N 3.43Å | ||
| 52 | S | 98.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 12% | 0.119 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130 | -179.2 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | Q27 E28 L29 | Q27-S52 PolarHBondContact O-N 3.44Å; E28-S52 WeakPolarHBondContact CA-O 3.3Å; L29-S52 PolarHBondContact N-O 2.9Å |
| 53 | L | 97.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 118.2 | 175.9 | 177.9 | 59.6 | 0 | 0 | 0 | 110.5 | L29 F44 L50 L55 F68 L71 L74 F76 L77 R78 | L29-L53 HydrophobicContact CB-CD1 4.02Å; L29-L53 HydrophobicContact CD2-CD1 3.89Å; L29-L53 HydrophobicContact CG-CD1 3.95Å; L29-L53 WeakPolarHBondContact O-CA 3.14Å; F44-L53 HydrophobicContact CE1-CD1 4.45Å; L50-L53 HydrophobicContact CD2-CB 4Å; L50-L53 HydrophobicContact CD2-CD1 4.34Å; L53-L55 HydrophobicContact CD1-CD2 3.92Å; L53-L55 HydrophobicContact CD1-CG 4.12Å; L53-L55 HydrophobicContact CD2-CD1 4.14Å; L53-L55 HydrophobicContact CD2-CG 4.28Å; L53-L55 HydrophobicContact CG-CD1 4.4Å; L53-L55 HydrophobicContact CG-CD2 4.36Å; L53-L55 HydrophobicContact CG-CG 3.99Å; L53-F68 HydrophobicContact CD2-CD1 4.08Å; L53-F68 HydrophobicContact CD2-CE1 4.03Å; L53-L71 HydrophobicContact CD2-CD1 3.74Å; L53-L74 HydrophobicContact CB-CD1 3.73Å; L53-L74 HydrophobicContact CB-CD2 4.28Å; L53-F76 PolarHBondContact N-O 3.04Å; L53-L77 HydrophobicContact CB-CD1 4.1Å; L53-L77 HydrophobicContact CD2-CD1 4.01Å; L53-L77 HydrophobicContact CG-CD1 4.05Å; L53-L77 WeakPolarHBondContact O-CA 3.02Å; L53-R78 PolarHBondContact O-N 3.47Å |
| 54 | D | 98.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 9% | 0.086 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 109.9 | 175.9 | -160.5 | -25.6 | 0 | 0 | 0 | 111.6 | L29 L31 V32 S56 R78 | L29-D54 PolarHBondContact O-N 3.35Å; L31-D54 PolarHBondContact N-O 3.01Å; V32-D54 HydrophobicContact CG2-CB 3.92Å; V32-D54 VanDerWaalsContact CG2-OD1 3.28Å; V32-D54 WeakPolarHBondContact CG2-OD1 3.35Å; D54-S56 WeakPolarHBondContact OD1-CB 3.29Å; D54-S56 PolarHBondContact OD1-N 2.98Å; D54-S56 PolarHBondContact OD1-OG 3.46Å; D54-R78 HydrophobicContact CB-CB 4.22Å; D54-R78 WeakPolarHBondContact OD1-CB 3.23Å; D54-R78 WeakPolarHBondContact OD2-CD 3.25Å; D54-R78 IonicContact OD2-NH1 3.85Å |
| 55 | L | 97.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -112.3 | 18.3 | 175.1 | -60.1 | -178.8 | 0 | 0 | 0 | 111.3 | L31 L36 V39 L53 N58 L60 F68 R78 L79 N82 | L31-L55 HydrophobicContact CB-CD2 3.95Å; L31-L55 HydrophobicContact CD1-CD2 3.78Å; L31-L55 HydrophobicContact CG-CD2 4.37Å; L36-L55 HydrophobicContact CD1-CD2 4.09Å; V39-L55 HydrophobicContact CG2-CD1 4.14Å; L53-L55 HydrophobicContact CD1-CD2 3.92Å; L53-L55 HydrophobicContact CD1-CG 4.12Å; L53-L55 HydrophobicContact CD2-CD1 4.14Å; L53-L55 HydrophobicContact CD2-CG 4.28Å; L53-L55 HydrophobicContact CG-CD1 4.4Å; L53-L55 HydrophobicContact CG-CD2 4.36Å; L53-L55 HydrophobicContact CG-CG 3.99Å; L55-N58 PolarHBondContact O-ND2 2.96Å; L55-N58 VanDerWaalsContact O-ND2 3.07Å; L55-L60 HydrophobicContact CB-CD1 4.38Å; L55-L60 HydrophobicContact CD1-CD1 4.44Å; L55-F68 HydrophobicContact CD1-CE1 4.05Å; L55-R78 CarbonylContact C-O 3.5Å; L55-R78 WeakPolarHBondContact CA-O 3.49Å; L55-R78 PolarHBondContact N-O 3.17Å; L55-L79 HydrophobicContact CB-CD2 3.96Å; L55-L79 HydrophobicContact CD1-CD2 4.09Å; L55-N82 PolarHBondContact O-ND2 3.18Å | ||
| 56 | S | 98.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.028 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 158 | -175.8 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | V32 K33 D54 N58 R78 E80 | V32-S56 WeakPolarHBondContact CA-O 3.47Å; V32-S56 WeakPolarHBondContact CG2-OG 3.36Å; K33-S56 PolarHBondContact N-O 3.09Å; D54-S56 WeakPolarHBondContact OD1-CB 3.29Å; D54-S56 PolarHBondContact OD1-N 2.98Å; D54-S56 PolarHBondContact OD1-OG 3.46Å; S56-N58 PolarHBondContact O-N 3.09Å; S56-N58 PolarHBondContact O-ND2 2.96Å; S56-R78 PolarHBondContact N-O 3.45Å; S56-E80 CarbonylContact C-O 3.59Å; S56-E80 VanDerWaalsContact CA-O 3.24Å; S56-E80 WeakPolarHBondContact CA-O 3.5Å; S56-E80 WeakPolarHBondContact CB-O 3.46Å; S56-E80 WeakPolarHBondContact CB-OE1 3.32Å |
| 57 | R | 98.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 51.6 Ų | 51.6 | 42% | 0.419 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 30.2 | 177.7 | -55.9 | 179.8 | -178.1 | -170.5 | 2.4 | 114.4 | V32 K33 E80 R81 | V32-R57 HydrophobicContact CG1-CB 4.35Å; V32-R57 HydrophobicContact CG1-CG 4.45Å; K33-R57 VanDerWaalsContact CA-O 3.3Å; K33-R57 WeakPolarHBondContact CA-O 3.31Å; K33-R57 HydrophobicContact CB-CB 4.08Å; R57-E80 PolarHBondContact N-O 2.99Å; R57-R81 VanDerWaalsContact CA-O 3.25Å; R57-R81 WeakPolarHBondContact CA-O 3.42Å; R57-R81 HydrophobicContact CG-CB 3.96Å; R57-R81 HydrophobicContact CG-CG 4.48Å; R57-R81 VanDerWaalsContact NH2-NH1 3.16Å |
| 58 | N | 98 | Very high | 92.8 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -97.2 | -155.9 | 174.7 | -87.7 | -79.6 | 0 | 0 | 0 | 111.3 | L31 N34 K35 L36 L55 S56 L60 N82 | L31-N58 PolarHBondContact O-ND2 2.9Å; N34-N58 VanDerWaalsContact CA-OD1 3.22Å; N34-N58 WeakPolarHBondContact CA-OD1 3.46Å; N34-N58 WeakPolarHBondContact CB-OD1 3.39Å; N34-N58 PolarHBondContact N-OD1 3.07Å; N34-N58 PolarHBondContact O-OD1 3.34Å; K35-N58 PolarHBondContact N-OD1 3.42Å; L36-N58 HydrophobicContact CB-CB 4.11Å; L36-N58 WeakPolarHBondContact CB-OD1 3.3Å; L36-N58 WeakPolarHBondContact CG-OD1 3.34Å; L36-N58 PolarHBondContact N-OD1 2.69Å; L55-N58 PolarHBondContact O-ND2 2.96Å; L55-N58 VanDerWaalsContact O-ND2 3.07Å; S56-N58 PolarHBondContact O-N 3.09Å; S56-N58 PolarHBondContact O-ND2 2.96Å; N58-L60 HydrophobicContact CB-CG 4.46Å; N58-N82 WeakPolarHBondContact CA-OD1 3.37Å; N58-N82 WeakPolarHBondContact CB-OD1 3.28Å; N58-N82 PolarHBondContact N-OD1 2.75Å |
| 59 | R | 96.6 | Very high | 92.7 | Very high | 123 Ų | 123 | 55 Ų | 55 | 46% | 0.464 | 22% | 0.223 | S | C | . | . | trans | -124.2 | 28.7 | -179.3 | -58.4 | 180 | -178.3 | -172.8 | -2.6 | 111.9 | L36 R37 R61 N82 | L36-R59 CarbonylContact O-C 3.42Å; L36-R59 VanDerWaalsContact O-CA 3.25Å; L36-R59 WeakPolarHBondContact O-CA 3.5Å; L36-R59 WeakPolarHBondContact O-CB 3.46Å; L36-R59 PolarHBondContact O-N 2.9Å; R37-R59 HydrophobicContact CG-CB 4.41Å; R59-R61 PolarHBondContact O-N 2.86Å; R59-N82 PolarHBondContact N-OD1 3.14Å | ||
| 60 | L | 97.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | trans | -66.8 | 122.7 | 179.5 | -56.3 | 173.3 | 0 | 0 | 0 | 109.2 | L36 K38 V39 L55 N58 I63 L79 N82 G83 L84 | L36-L60 HydrophobicContact CB-CD2 4.22Å; L36-L60 PolarHBondContact O-N 2.66Å; K38-L60 VanDerWaalsContact C-CD2 3.44Å; V39-L60 HydrophobicContact CG2-CD1 4.01Å; V39-L60 HydrophobicContact CG2-CD2 4.2Å; L55-L60 HydrophobicContact CB-CD1 4.38Å; L55-L60 HydrophobicContact CD1-CD1 4.44Å; N58-L60 HydrophobicContact CB-CG 4.46Å; L60-I63 HydrophobicContact CD1-CD1 4.2Å; L60-L79 HydrophobicContact CD1-CD2 3.7Å; L60-N82 HydrophobicContact CB-CB 3.91Å; L60-N82 WeakPolarHBondContact CB-OD1 3.41Å; L60-N82 WeakPolarHBondContact CG-OD1 3.25Å; L60-N82 PolarHBondContact N-OD1 3.08Å; L60-N82 CarbonylContact O-C 3.14Å; L60-G83 CarbonylContact O-C 3.23Å; L60-G83 VanDerWaalsContact O-C 3.26Å; L60-L84 HydrophobicContact CB-CD2 3.68Å; L60-L84 HydrophobicContact CB-CG 4.41Å; L60-L84 WeakPolarHBondContact O-CD2 3.46Å; L60-L84 PolarHBondContact O-N 2.77Å | ||
| 61 | R | 95.2 | Very high | 92.2 | Very high | 198 Ų | 198 | 49 Ų | 49 | 75% | 0.747 | 20% | 0.204 | S | C | * | . | trans | -99.4 | -25.3 | 177.1 | -65.7 | -175 | 179.5 | -173.8 | -1.4 | 113.2 | R59 L84 A85 | R59-R61 PolarHBondContact O-N 2.86Å; R61-L84 WeakPolarHBondContact O-CA 3.08Å; R61-A85 PolarHBondContact O-N 2.69Å | ||
| 62 | R | 92.6 | Very high | 91.8 | Very high | 137 Ų | 137 | 50.2 Ų | 50.2 | 52% | 0.517 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 158.7 | 176.1 | 69.2 | 179.9 | -174.2 | -162.7 | -4.9 | 111.6 | D64 V86 | R62-D64 WeakPolarHBondContact CD-OD1 3.16Å; R62-D64 IonicContact CZ-OD1 3.15Å; R62-D64 IonicContact NE-OD1 3.69Å; R62-D64 PolarHBondContact NE-OD1 2.88Å; R62-D64 IonicContact NE-OD2 3.89Å; R62-D64 IonicContact NH2-OD2 2.61Å; R62-V86 CarbonylContact C-O 3.39Å; R62-V86 WeakPolarHBondContact CA-O 3.45Å; R62-V86 HydrophobicContact CB-CB 4.17Å; R62-V86 WeakPolarHBondContact CB-O 3.33Å |
| 63 | I | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.8 | 164.7 | -53.4 | -61.3 | 0 | 0 | 0 | 107.8 | V39 L60 F68 L79 L84 V86 I87 H88 A91 | V39-I63 HydrophobicContact CG2-CD1 3.73Å; L60-I63 HydrophobicContact CD1-CD1 4.2Å; I63-F68 HydrophobicContact CD1-CZ 4.48Å; I63-F68 HydrophobicContact CG2-CE2 3.73Å; I63-F68 HydrophobicContact CG2-CZ 4.47Å; I63-L79 HydrophobicContact CD1-CD1 4.48Å; I63-L79 HydrophobicContact CD1-CD2 4.21Å; I63-L84 HydrophobicContact CD1-CD1 4.36Å; I63-L84 HydrophobicContact CD1-CD2 3.81Å; I63-L84 HydrophobicContact CG1-CD1 4.16Å; I63-L84 HydrophobicContact CG1-CD2 3.8Å; I63-V86 PolarHBondContact N-O 2.95Å; I63-I87 HydrophobicContact CB-CG2 4.16Å; I63-I87 HydrophobicContact CG1-CG1 4.42Å; I63-H88 PolarHBondContact O-N 3.42Å; I63-A91 HydrophobicContact CB-CB 4.34Å; I63-A91 HydrophobicContact CG2-CB 3.69Å |
| 64 | D | 80.1 | Confident | 91.6 | Very high | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.134 | 23% | 0.227 | C | C | . | . | trans | -89.1 | 164.4 | -178.7 | -61.1 | -32.7 | 0 | 0 | 0 | 110.4 | R62 F66 S67 H88 | R62-D64 WeakPolarHBondContact CD-OD1 3.16Å; R62-D64 IonicContact CZ-OD1 3.15Å; R62-D64 IonicContact NE-OD1 3.69Å; R62-D64 PolarHBondContact NE-OD1 2.88Å; R62-D64 IonicContact NE-OD2 3.89Å; R62-D64 IonicContact NH2-OD2 2.61Å; D64-F66 PolarHBondContact O-N 2.91Å; D64-S67 PolarHBondContact N-OG 2.99Å; D64-S67 VanDerWaalsContact O-CB 3.29Å; D64-S67 WeakPolarHBondContact O-CB 3.29Å; D64-S67 PolarHBondContact O-N 3.47Å; D64-S67 PolarHBondContact O-OG 2.79Å; D64-S67 VanDerWaalsContact O-OG 3.04Å; D64-H88 IonicContact OD1-CD2 2.67Å; D64-H88 IonicContact OD1-NE2 2.67Å | ||
| 65 | W | 77.3 | Confident | 91.6 | Very high | 109 Ų | 109 | 57.3 Ų | 57.3 | 41% | 0.413 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 137.7 | 176.7 | 50.3 | 98.9 | 0 | 0 | 0 | 111.9 | K41 S67 H88 | K41-W65 VanDerWaalsContact CE-O 3.29Å; K41-W65 WeakPolarHBondContact CE-O 3.45Å; K41-W65 PolarHBondContact NZ-O 2.78Å; W65-S67 PolarHBondContact O-N 3.14Å; W65-S67 VanDerWaalsContact O-N 3.08Å; W65-H88 HydrophobicContact CE3-CB 4.1Å; W65-H88 AromaticContact CE3-CG 3.97Å |
| 66 | F | 76.7 | Confident | 91.7 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 32% | 0.316 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 27.2 | 178.7 | -49 | -64.3 | 0 | 0 | 0 | 114.2 | D64 F68 K69 G90 T94 | D64-F66 PolarHBondContact O-N 2.91Å; F66-F68 PolarHBondContact O-N 3.18Å; F66-F68 VanDerWaalsContact O-N 3.1Å; F66-K69 HydrophobicContact CB-CB 4.42Å; F66-K69 WeakPolarHBondContact O-CB 3.42Å; F66-K69 PolarHBondContact O-N 3.44Å; F66-K69 VanDerWaalsContact O-N 3.13Å; F66-G90 PolarHBondContact N-O 2.67Å; F66-T94 HydrophobicContact CD1-CG2 4Å |
| 67 | S | 83.5 | Confident | 91.7 | Very high | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -24.1 | 179.7 | -91.4 | 0 | 0 | 0 | 0 | 113.8 | V39 D64 W65 | V39-S67 WeakPolarHBondContact CG1-O 3.15Å; D64-S67 PolarHBondContact N-OG 2.99Å; D64-S67 VanDerWaalsContact O-CB 3.29Å; D64-S67 WeakPolarHBondContact O-CB 3.29Å; D64-S67 PolarHBondContact O-N 3.47Å; D64-S67 PolarHBondContact O-OG 2.79Å; D64-S67 VanDerWaalsContact O-OG 3.04Å; W65-S67 PolarHBondContact O-N 3.14Å; W65-S67 VanDerWaalsContact O-N 3.08Å |
| 68 | F | 91.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 26.9 | -179.1 | -56.4 | -78.5 | 0 | 0 | 0 | 113.1 | V39 L53 L55 I63 F66 G70 L71 L77 L79 F92 T94 L95 | V39-F68 HydrophobicContact CG1-CD1 4.19Å; V39-F68 HydrophobicContact CG1-CE1 3.86Å; V39-F68 HydrophobicContact CG1-CZ 4.23Å; V39-F68 HydrophobicContact CG2-CE1 4.33Å; V39-F68 HydrophobicContact CG2-CZ 4.07Å; L53-F68 HydrophobicContact CD2-CD1 4.08Å; L53-F68 HydrophobicContact CD2-CE1 4.03Å; L55-F68 HydrophobicContact CD1-CE1 4.05Å; I63-F68 HydrophobicContact CD1-CZ 4.48Å; I63-F68 HydrophobicContact CG2-CE2 3.73Å; I63-F68 HydrophobicContact CG2-CZ 4.47Å; F66-F68 PolarHBondContact O-N 3.18Å; F66-F68 VanDerWaalsContact O-N 3.1Å; F68-G70 PolarHBondContact O-N 3.01Å; F68-L71 HydrophobicContact CB-CD1 4.14Å; F68-L71 HydrophobicContact CD1-CD1 4.02Å; F68-L71 WeakPolarHBondContact O-CB 3.09Å; F68-L71 PolarHBondContact O-N 2.77Å; F68-L77 HydrophobicContact CD1-CD2 4.45Å; F68-L77 HydrophobicContact CD2-CD2 4.39Å; F68-L77 HydrophobicContact CE1-CD1 3.97Å; F68-L77 HydrophobicContact CE1-CD2 4.09Å; F68-L77 HydrophobicContact CE2-CD2 4.03Å; F68-L77 HydrophobicContact CZ-CD1 4.29Å; F68-L77 HydrophobicContact CZ-CD2 3.87Å; F68-L79 HydrophobicContact CZ-CD1 4.13Å; F68-L79 HydrophobicContact CZ-CD2 4.35Å; F68-F92 AromaticContact CD2-CD1 3.88Å; F68-F92 HydrophobicContact CD2-CD1 3.88Å; F68-F92 HydrophobicContact CD2-CE1 4.14Å; F68-F92 AromaticContact CE2-CD1 3.79Å; F68-F92 HydrophobicContact CE2-CD1 3.79Å; F68-F92 AromaticContact CE2-CE1 3.56Å; F68-F92 HydrophobicContact CE2-CE1 3.56Å; F68-F92 HydrophobicContact CZ-CE1 4.41Å; F68-T94 PolarHBondContact O-OG1 2.82Å; F68-L95 HydrophobicContact CB-CD1 4.04Å; F68-L95 HydrophobicContact CB-CD2 3.75Å; F68-L95 HydrophobicContact CB-CG 4.07Å; F68-L95 HydrophobicContact CD2-CD1 4.13Å; F68-L95 HydrophobicContact CG-CD1 4.14Å |
| 69 | K | 87.3 | Confident | 91.8 | Very high | 125 Ų | 125 | 59.1 Ų | 59.1 | 54% | 0.543 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 135.8 | 177.3 | -176.5 | 179.4 | 178.1 | -177 | 0 | 110.9 | F66 | F66-K69 HydrophobicContact CB-CB 4.42Å; F66-K69 WeakPolarHBondContact O-CB 3.42Å; F66-K69 PolarHBondContact O-N 3.44Å; F66-K69 VanDerWaalsContact O-N 3.13Å |
| 70 | G | 87.6 | Confident | 91.8 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -17.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | S48 F68 N72 | S48-G70 WeakPolarHBondContact CA-O 3.27Å; F68-G70 PolarHBondContact O-N 3.01Å; G70-N72 PolarHBondContact O-N 3.01Å |
| 71 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -79.5 | 56 | 176.6 | -60.2 | -174.5 | 0 | 0 | 0 | 112.3 | F44 L47 L50 L53 F68 N73 L74 L95 | F44-L71 HydrophobicContact CB-CD1 4.09Å; F44-L71 HydrophobicContact CB-CD2 3.92Å; F44-L71 HydrophobicContact CB-CG 4Å; F44-L71 HydrophobicContact CG-CD1 4.44Å; F44-L71 WeakPolarHBondContact O-CD2 3.23Å; L47-L71 HydrophobicContact CB-CD2 3.73Å; L47-L71 WeakPolarHBondContact O-CD2 3.27Å; L50-L71 HydrophobicContact CB-CD2 4.04Å; L50-L71 HydrophobicContact CD2-CD1 4.45Å; L50-L71 HydrophobicContact CD2-CD2 3.83Å; L53-L71 HydrophobicContact CD2-CD1 3.74Å; F68-L71 HydrophobicContact CB-CD1 4.14Å; F68-L71 HydrophobicContact CD1-CD1 4.02Å; F68-L71 WeakPolarHBondContact O-CB 3.09Å; F68-L71 PolarHBondContact O-N 2.77Å; L71-N73 PolarHBondContact O-N 3.07Å; L71-L74 HydrophobicContact CB-CB 4.11Å; L71-L74 HydrophobicContact CB-CD2 4.46Å; L71-L74 HydrophobicContact CD1-CD2 4.08Å; L71-L74 WeakPolarHBondContact O-CB 3.2Å; L71-L74 PolarHBondContact O-N 2.8Å; L71-L95 HydrophobicContact CB-CD2 3.96Å | ||
| 72 | N | 89.3 | Confident | 91.9 | Very high | 92 Ų | 92 | 51.8 Ų | 51.8 | 49% | 0.492 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.4 | -168.7 | -60.3 | -28.8 | 0 | 0 | 0 | 114.1 | G70 Q97 | G70-N72 PolarHBondContact O-N 3.01Å; N72-Q97 WeakPolarHBondContact O-CG 3.48Å |
| 73 | N | 95.3 | Very high | 92.2 | Very high | 76 Ų | 76 | 46 Ų | 46 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 6.5 | 179.9 | -73.7 | -47 | 0 | 0 | 0 | 113.6 | S48 L50 L71 R75 | S48-N73 PolarHBondContact O-ND2 3.05Å; L50-N73 CarbonylContact O-C 3.53Å; L71-N73 PolarHBondContact O-N 3.07Å; N73-R75 PolarHBondContact O-N 3.09Å |
| 74 | L | 97.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -65 | 127 | -175.2 | -161.2 | 74.4 | 0 | 0 | 0 | 110.9 | L50 L53 L71 L77 L95 Q97 L98 | L50-L74 HydrophobicContact CB-CD1 4.45Å; L50-L74 HydrophobicContact CD2-CD1 4.03Å; L50-L74 HydrophobicContact CG-CD1 4.14Å; L50-L74 VanDerWaalsContact O-CA 3.28Å; L50-L74 WeakPolarHBondContact O-CA 3.14Å; L50-L74 PolarHBondContact O-N 2.64Å; L50-L74 VanDerWaalsContact O-N 3.12Å; L53-L74 HydrophobicContact CB-CD1 3.73Å; L53-L74 HydrophobicContact CB-CD2 4.28Å; L71-L74 HydrophobicContact CB-CB 4.11Å; L71-L74 HydrophobicContact CB-CD2 4.46Å; L71-L74 HydrophobicContact CD1-CD2 4.08Å; L71-L74 WeakPolarHBondContact O-CB 3.2Å; L71-L74 PolarHBondContact O-N 2.8Å; L74-L77 HydrophobicContact CD2-CB 4.08Å; L74-L77 HydrophobicContact CD2-CD1 4.35Å; L74-L77 HydrophobicContact CD2-CD2 4.45Å; L74-L95 HydrophobicContact CB-CD2 4.1Å; L74-L95 HydrophobicContact CD2-CD1 4.26Å; L74-L95 HydrophobicContact CD2-CD2 3.93Å; L74-Q97 CarbonylContact O-C 3.05Å; L74-L98 HydrophobicContact CD2-CD1 4.14Å; L74-L98 HydrophobicContact CG-CD1 4.19Å; L74-L98 VanDerWaalsContact O-CA 3.27Å; L74-L98 WeakPolarHBondContact O-CA 3.46Å; L74-L98 PolarHBondContact O-N 2.86Å; L74-L98 VanDerWaalsContact O-N 3.12Å | ||
| 75 | R | 98.6 | Very high | 93.1 | Very high | 107 Ų | 107 | 47 Ų | 47 | 40% | 0.404 | 22% | 0.218 | S | C | . | . | trans | -110.2 | -33.7 | -179.9 | -63.6 | -178 | -177.1 | -164.7 | 4.6 | 112.3 | E51 N73 L99 E100 | E51-R75 WeakPolarHBondContact O-CA 2.97Å; E51-R75 PolarHBondContact O-N 2.94Å; E51-R75 IonicContact OE2-NE 3.13Å; N73-R75 PolarHBondContact O-N 3.09Å; R75-L99 HydrophobicContact CB-CD1 4.23Å; R75-L99 HydrophobicContact CB-CG 4.24Å; R75-L99 HydrophobicContact CG-CD1 4.32Å; R75-L99 HydrophobicContact CG-CG 4.46Å; R75-L99 WeakPolarHBondContact O-CA 3.41Å; R75-L99 PolarHBondContact O-N 3.2Å; R75-E100 PolarHBondContact O-N 3.31Å | ||
| 76 | F | 98.7 | Very high | 93.7 | Very high | 71 Ų | 71 | 45.2 Ų | 45.2 | 31% | 0.311 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 124.2 | -177 | -51.9 | -82.4 | 0 | 0 | 0 | 110.2 | E51 L53 E100 | E51-F76 PolarHBondContact O-N 3.43Å; L53-F76 PolarHBondContact N-O 3.04Å; F76-E100 HydrophobicContact CD1-CB 3.92Å; F76-E100 HydrophobicContact CD1-CG 3.8Å; F76-E100 HydrophobicContact CE1-CB 4.46Å; F76-E100 HydrophobicContact CE1-CG 3.82Å |
| 77 | L | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 120.1 | 176.3 | 178.9 | 57.2 | 0 | 0 | 0 | 110.6 | L53 F68 L74 L79 F92 L95 L98 E100 L101 Y102 | L53-L77 HydrophobicContact CB-CD1 4.1Å; L53-L77 HydrophobicContact CD2-CD1 4.01Å; L53-L77 HydrophobicContact CG-CD1 4.05Å; L53-L77 WeakPolarHBondContact O-CA 3.02Å; F68-L77 HydrophobicContact CD1-CD2 4.45Å; F68-L77 HydrophobicContact CD2-CD2 4.39Å; F68-L77 HydrophobicContact CE1-CD1 3.97Å; F68-L77 HydrophobicContact CE1-CD2 4.09Å; F68-L77 HydrophobicContact CE2-CD2 4.03Å; F68-L77 HydrophobicContact CZ-CD1 4.29Å; F68-L77 HydrophobicContact CZ-CD2 3.87Å; L74-L77 HydrophobicContact CD2-CB 4.08Å; L74-L77 HydrophobicContact CD2-CD1 4.35Å; L74-L77 HydrophobicContact CD2-CD2 4.45Å; L77-L79 HydrophobicContact CD1-CD1 4.44Å; L77-L79 HydrophobicContact CD1-CG 4.2Å; L77-L79 HydrophobicContact CD2-CD1 3.93Å; L77-L79 HydrophobicContact CG-CD1 4.02Å; L77-L79 HydrophobicContact CG-CG 4.13Å; L77-F92 HydrophobicContact CD2-CD1 4.2Å; L77-F92 HydrophobicContact CD2-CE1 3.95Å; L77-L95 HydrophobicContact CD2-CD1 3.81Å; L77-L98 HydrophobicContact CB-CD1 3.74Å; L77-L98 HydrophobicContact CB-CD2 4.36Å; L77-E100 PolarHBondContact N-O 3.31Å; L77-L101 HydrophobicContact CB-CD1 4.03Å; L77-L101 HydrophobicContact CD2-CD1 3.94Å; L77-L101 HydrophobicContact CG-CD1 3.95Å; L77-Y102 PolarHBondContact O-N 2.98Å |
| 78 | R | 98.8 | Very high | 94.5 | Very high | 92 Ų | 92 | 45.5 Ų | 45.5 | 35% | 0.347 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.3 | 177.5 | -75.9 | 178.8 | -175.1 | 142.7 | 4.8 | 111.5 | L53 D54 L55 S56 E80 Y102 | L53-R78 PolarHBondContact O-N 3.47Å; D54-R78 HydrophobicContact CB-CB 4.22Å; D54-R78 WeakPolarHBondContact OD1-CB 3.23Å; D54-R78 WeakPolarHBondContact OD2-CD 3.25Å; D54-R78 IonicContact OD2-NH1 3.85Å; L55-R78 CarbonylContact C-O 3.5Å; L55-R78 WeakPolarHBondContact CA-O 3.49Å; L55-R78 PolarHBondContact N-O 3.17Å; S56-R78 PolarHBondContact N-O 3.45Å; R78-E80 WeakPolarHBondContact CA-OE2 2.99Å; R78-E80 VanDerWaalsContact CB-OE2 3.24Å; R78-E80 WeakPolarHBondContact CB-OE2 3.3Å; R78-Y102 HydrophobicContact CG-CD2 3.76Å; R78-Y102 HydrophobicContact CG-CG 4.08Å |
| 79 | L | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -132 | 11 | -176.9 | -74.8 | 167.9 | 0 | 0 | 0 | 111.7 | L55 L60 I63 F68 L77 N82 L84 F92 L101 Y102 L103 N106 | L55-L79 HydrophobicContact CB-CD2 3.96Å; L55-L79 HydrophobicContact CD1-CD2 4.09Å; L60-L79 HydrophobicContact CD1-CD2 3.7Å; I63-L79 HydrophobicContact CD1-CD1 4.48Å; I63-L79 HydrophobicContact CD1-CD2 4.21Å; F68-L79 HydrophobicContact CZ-CD1 4.13Å; F68-L79 HydrophobicContact CZ-CD2 4.35Å; L77-L79 HydrophobicContact CD1-CD1 4.44Å; L77-L79 HydrophobicContact CD1-CG 4.2Å; L77-L79 HydrophobicContact CD2-CD1 3.93Å; L77-L79 HydrophobicContact CG-CD1 4.02Å; L77-L79 HydrophobicContact CG-CG 4.13Å; L79-N82 PolarHBondContact O-ND2 3.5Å; L79-L84 HydrophobicContact CB-CD1 4.12Å; L79-F92 HydrophobicContact CD1-CE1 3.97Å; L79-F92 HydrophobicContact CD1-CZ 4.13Å; L79-L101 HydrophobicContact CD1-CD1 4.33Å; L79-Y102 CarbonylContact C-O 3.57Å; L79-Y102 WeakPolarHBondContact CA-O 3.28Å; L79-Y102 WeakPolarHBondContact CB-O 3.47Å; L79-Y102 PolarHBondContact N-O 2.96Å; L79-L103 HydrophobicContact CB-CD2 3.85Å; L79-L103 HydrophobicContact CD1-CD2 3.94Å; L79-N106 PolarHBondContact O-ND2 3.23Å | ||
| 80 | E | 98.5 | Very high | 93.7 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | trans | -64.6 | 152.4 | -177.5 | 70.2 | -83.4 | -164.9 | 0 | 0 | 112.7 | S56 R57 R78 N82 Y102 N104 | S56-E80 CarbonylContact C-O 3.59Å; S56-E80 VanDerWaalsContact CA-O 3.24Å; S56-E80 WeakPolarHBondContact CA-O 3.5Å; S56-E80 WeakPolarHBondContact CB-O 3.46Å; S56-E80 WeakPolarHBondContact CB-OE1 3.32Å; R57-E80 PolarHBondContact N-O 2.99Å; R78-E80 WeakPolarHBondContact CA-OE2 2.99Å; R78-E80 VanDerWaalsContact CB-OE2 3.24Å; R78-E80 WeakPolarHBondContact CB-OE2 3.3Å; E80-N82 PolarHBondContact O-N 3.1Å; E80-N82 PolarHBondContact O-ND2 2.67Å; E80-Y102 PolarHBondContact N-O 2.82Å; E80-N104 WeakPolarHBondContact CA-O 3.43Å; E80-N104 WeakPolarHBondContact CB-ND2 3.5Å; E80-N104 WeakPolarHBondContact CB-O 3.39Å | ||
| 81 | R | 98.5 | Very high | 93.6 | Very high | 125 Ų | 125 | 44.9 Ų | 44.9 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | S | Bend | trans | 60.3 | 43.8 | 175.4 | -56.6 | 178.8 | 177.4 | -166.2 | 1.9 | 114.6 | R57 N104 N105 | R57-R81 VanDerWaalsContact CA-O 3.25Å; R57-R81 WeakPolarHBondContact CA-O 3.42Å; R57-R81 HydrophobicContact CG-CB 3.96Å; R57-R81 HydrophobicContact CG-CG 4.48Å; R57-R81 VanDerWaalsContact NH2-NH1 3.16Å; R81-N104 PolarHBondContact N-O 2.89Å; R81-N104 VanDerWaalsContact N-O 3.17Å; R81-N105 VanDerWaalsContact CA-O 3.29Å; R81-N105 WeakPolarHBondContact CA-O 3.31Å; R81-N105 HydrophobicContact CB-CB 4.41Å; R81-N105 HydrophobicContact CG-CB 3.57Å; R81-N105 PolarHBondContact N-O 3.39Å |
| 82 | N | 96.3 | Very high | 93.5 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -107.4 | -40.9 | 179 | -95.3 | -77.1 | 0 | 0 | 0 | 113.7 | L55 N58 R59 L60 L79 E80 L84 N106 | L55-N82 PolarHBondContact O-ND2 3.18Å; N58-N82 WeakPolarHBondContact CA-OD1 3.37Å; N58-N82 WeakPolarHBondContact CB-OD1 3.28Å; N58-N82 PolarHBondContact N-OD1 2.75Å; R59-N82 PolarHBondContact N-OD1 3.14Å; L60-N82 HydrophobicContact CB-CB 3.91Å; L60-N82 WeakPolarHBondContact CB-OD1 3.41Å; L60-N82 WeakPolarHBondContact CG-OD1 3.25Å; L60-N82 PolarHBondContact N-OD1 3.08Å; L60-N82 CarbonylContact O-C 3.14Å; L79-N82 PolarHBondContact O-ND2 3.5Å; E80-N82 PolarHBondContact O-N 3.1Å; E80-N82 PolarHBondContact O-ND2 2.67Å; N82-L84 HydrophobicContact CB-CG 4.12Å; N82-N106 WeakPolarHBondContact CB-OD1 3.5Å; N82-N106 PolarHBondContact N-OD1 3Å; N82-N106 VanDerWaalsContact N-OD1 3.16Å |
| 83 | G | 97.3 | Very high | 93.4 | Very high | 15 Ų | 15 | 41 Ų | 41 | 16% | 0.155 | 21% | 0.206 | C | C | . | . | trans | 103.9 | 24.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L60 A85 N106 | L60-G83 CarbonylContact O-C 3.23Å; L60-G83 VanDerWaalsContact O-C 3.26Å; G83-A85 PolarHBondContact O-N 3.45Å; G83-N106 PolarHBondContact N-OD1 2.9Å | ||
| 84 | L | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -61.9 | 116 | 178.8 | -67.2 | 173.8 | 0 | 0 | 0 | 110.6 | L60 R61 I63 L79 N82 L103 N106 R107 L108 | L60-L84 HydrophobicContact CB-CD2 3.68Å; L60-L84 HydrophobicContact CB-CG 4.41Å; L60-L84 WeakPolarHBondContact O-CD2 3.46Å; L60-L84 PolarHBondContact O-N 2.77Å; R61-L84 WeakPolarHBondContact O-CA 3.08Å; I63-L84 HydrophobicContact CD1-CD1 4.36Å; I63-L84 HydrophobicContact CD1-CD2 3.81Å; I63-L84 HydrophobicContact CG1-CD1 4.16Å; I63-L84 HydrophobicContact CG1-CD2 3.8Å; L79-L84 HydrophobicContact CB-CD1 4.12Å; N82-L84 HydrophobicContact CB-CG 4.12Å; L84-L103 HydrophobicContact CD1-CD2 3.82Å; L84-N106 HydrophobicContact CB-CB 4.04Å; L84-N106 PolarHBondContact N-OD1 2.83Å; L84-R107 CarbonylContact O-C 3.23Å; L84-R107 VanDerWaalsContact O-CA 3.29Å; L84-R107 WeakPolarHBondContact O-CA 3.39Å; L84-R107 PolarHBondContact O-N 2.93Å; L84-L108 HydrophobicContact CB-CD2 4.32Å; L84-L108 PolarHBondContact O-N 2.88Å | ||
| 85 | A | 94.5 | Very high | 92.7 | Very high | 46 Ų | 46 | 38.9 Ų | 38.9 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | trans | -105 | -25.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R61 G83 R107 | R61-A85 PolarHBondContact O-N 2.69Å; G83-A85 PolarHBondContact O-N 3.45Å; A85-R107 HydrophobicContact CB-CB 4.29Å | ||
| 86 | V | 89.6 | Confident | 92.2 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 44% | 0.436 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 129.3 | -176.9 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | R62 I63 | R62-V86 CarbonylContact C-O 3.39Å; R62-V86 WeakPolarHBondContact CA-O 3.45Å; R62-V86 HydrophobicContact CB-CB 4.17Å; R62-V86 WeakPolarHBondContact CB-O 3.33Å; I63-V86 PolarHBondContact N-O 2.95Å |
| 87 | I | 92.6 | Very high | 92.1 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.067 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.4 | 165.4 | -56.3 | 176.3 | 0 | 0 | 0 | 105.4 | I63 A91 F92 L103 L108 W115 | I63-I87 HydrophobicContact CB-CG2 4.16Å; I63-I87 HydrophobicContact CG1-CG1 4.42Å; I87-A91 HydrophobicContact CG2-CB 3.55Å; I87-F92 HydrophobicContact CD1-CE2 4.12Å; I87-F92 HydrophobicContact CD1-CZ 4.16Å; I87-F92 HydrophobicContact CG2-CD2 4.46Å; I87-F92 HydrophobicContact CG2-CE2 3.78Å; I87-F92 HydrophobicContact CG2-CZ 4.08Å; I87-L103 HydrophobicContact CD1-CD1 3.97Å; I87-L103 HydrophobicContact CD1-CD2 3.99Å; I87-L108 HydrophobicContact CD1-CD1 4.03Å; I87-L108 HydrophobicContact CD1-CD2 3.83Å; I87-L108 HydrophobicContact CG1-CD2 3.84Å; I87-W115 HydrophobicContact CB-CB 3.96Å; I87-W115 HydrophobicContact CB-CD2 4.36Å; I87-W115 HydrophobicContact CB-CG 4.08Å; I87-W115 HydrophobicContact CD1-CD2 4.43Å; I87-W115 HydrophobicContact CD1-CE3 4.18Å; I87-W115 HydrophobicContact CD1-CZ3 4.36Å; I87-W115 HydrophobicContact CG2-CB 3.58Å; I87-W115 HydrophobicContact CG2-CD2 4.34Å; I87-W115 HydrophobicContact CG2-CE3 4.3Å; I87-W115 HydrophobicContact CG2-CG 4.09Å |
| 88 | H | 83.3 | Confident | 92.1 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 30% | 0.301 | 19% | 0.194 | S | C | . | . | trans | -70.4 | 152.5 | 179.3 | -79.6 | -76.7 | 0 | 0 | 0 | 111.4 | I63 D64 W65 G90 A91 | I63-H88 PolarHBondContact O-N 3.42Å; D64-H88 IonicContact OD1-CD2 2.67Å; D64-H88 IonicContact OD1-NE2 2.67Å; W65-H88 HydrophobicContact CE3-CB 4.1Å; W65-H88 AromaticContact CE3-CG 3.97Å; H88-G90 PolarHBondContact O-N 2.67Å; H88-A91 WeakPolarHBondContact O-CB 3.06Å; H88-A91 PolarHBondContact O-N 2.83Å | ||
| 89 | D | 82.5 | Confident | 92 | Very high | 114 Ų | 114 | 34.9 Ų | 34.9 | 61% | 0.61 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 138.1 | 176.1 | -64.2 | -12.4 | 0 | 0 | 0 | 111.3 | A91 G114 W115 | D89-A91 PolarHBondContact O-N 2.98Å; D89-G114 WeakPolarHBondContact CA-O 3.33Å; D89-G114 VanDerWaalsContact OD1-CA 3.28Å; D89-G114 WeakPolarHBondContact OD1-CA 3.41Å; D89-W115 PolarHBondContact OD1-N 2.88Å |
| 90 | G | 80.1 | Confident | 92.1 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 9.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F66 H88 F92 G93 G114 | F66-G90 PolarHBondContact N-O 2.67Å; H88-G90 PolarHBondContact O-N 2.67Å; G90-F92 PolarHBondContact O-N 3.43Å; G90-G93 PolarHBondContact O-N 2.91Å; G90-G114 PolarHBondContact N-O 3.31Å |
| 91 | A | 85.2 | Confident | 92.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I63 I87 H88 D89 | I63-A91 HydrophobicContact CB-CB 4.34Å; I63-A91 HydrophobicContact CG2-CB 3.69Å; I87-A91 HydrophobicContact CG2-CB 3.55Å; H88-A91 WeakPolarHBondContact O-CB 3.06Å; H88-A91 PolarHBondContact O-N 2.83Å; D89-A91 PolarHBondContact O-N 2.98Å |
| 92 | F | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 7.8 | 178.5 | -52.4 | -56.7 | 0 | 0 | 0 | 113.6 | F68 L77 L79 I87 G90 T94 L95 L101 W115 L119 | F68-F92 AromaticContact CD2-CD1 3.88Å; F68-F92 HydrophobicContact CD2-CD1 3.88Å; F68-F92 HydrophobicContact CD2-CE1 4.14Å; F68-F92 AromaticContact CE2-CD1 3.79Å; F68-F92 HydrophobicContact CE2-CD1 3.79Å; F68-F92 AromaticContact CE2-CE1 3.56Å; F68-F92 HydrophobicContact CE2-CE1 3.56Å; F68-F92 HydrophobicContact CZ-CE1 4.41Å; L77-F92 HydrophobicContact CD2-CD1 4.2Å; L77-F92 HydrophobicContact CD2-CE1 3.95Å; L79-F92 HydrophobicContact CD1-CE1 3.97Å; L79-F92 HydrophobicContact CD1-CZ 4.13Å; I87-F92 HydrophobicContact CD1-CE2 4.12Å; I87-F92 HydrophobicContact CD1-CZ 4.16Å; I87-F92 HydrophobicContact CG2-CD2 4.46Å; I87-F92 HydrophobicContact CG2-CE2 3.78Å; I87-F92 HydrophobicContact CG2-CZ 4.08Å; G90-F92 PolarHBondContact O-N 3.43Å; F92-T94 PolarHBondContact O-N 3.46Å; F92-L95 HydrophobicContact CB-CD1 4.22Å; F92-L95 HydrophobicContact CD1-CD1 3.92Å; F92-L95 WeakPolarHBondContact O-CB 3.45Å; F92-L95 PolarHBondContact O-N 2.83Å; F92-L101 HydrophobicContact CD2-CD2 4.21Å; F92-L101 HydrophobicContact CE2-CD2 3.92Å; F92-L101 HydrophobicContact CZ-CD1 4.44Å; F92-L101 HydrophobicContact CZ-CD2 4.17Å; F92-W115 HydrophobicContact CD2-CE3 4.02Å; F92-W115 HydrophobicContact CD2-CZ3 4.48Å; F92-W115 VanDerWaalsContact CD2-O 3.25Å; F92-W115 WeakPolarHBondContact CD2-O 3.28Å; F92-W115 AromaticContact CE2-CE3 3.68Å; F92-W115 HydrophobicContact CE2-CE3 3.68Å; F92-W115 AromaticContact CE2-CZ3 3.97Å; F92-W115 HydrophobicContact CE2-CZ3 3.97Å; F92-L119 HydrophobicContact CB-CD1 4.14Å; F92-L119 HydrophobicContact CB-CD2 3.83Å; F92-L119 HydrophobicContact CB-CG 4.06Å; F92-L119 HydrophobicContact CD2-CD1 4.08Å; F92-L119 HydrophobicContact CG-CD1 4.4Å |
| 93 | G | 85.9 | Confident | 92.2 | Very high | 12 Ų | 12 | 30.4 Ų | 30.4 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -8.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | G90 N96 Y117 | G90-G93 PolarHBondContact O-N 2.91Å; G93-N96 PolarHBondContact O-OD1 2.92Å; G93-Y117 WeakPolarHBondContact CA-O 3.33Å |
| 94 | T | 85 | Confident | 92.3 | Very high | 30 Ų | 30 | 30.9 Ų | 30.9 | 18% | 0.184 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -7.4 | 174.2 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | F66 F68 F92 N96 | F66-T94 HydrophobicContact CD1-CG2 4Å; F68-T94 PolarHBondContact O-OG1 2.82Å; F92-T94 PolarHBondContact O-N 3.46Å; T94-N96 VanDerWaalsContact C-N 3.28Å; T94-N96 PolarHBondContact O-N 2.97Å; T94-N96 VanDerWaalsContact O-N 3.15Å |
| 95 | L | 93.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | trans | -91.5 | 52.6 | -171.6 | -59.4 | -177.2 | 0 | 0 | 0 | 111.9 | F68 L71 L74 L77 F92 Q97 L98 L119 | F68-L95 HydrophobicContact CB-CD1 4.04Å; F68-L95 HydrophobicContact CB-CD2 3.75Å; F68-L95 HydrophobicContact CB-CG 4.07Å; F68-L95 HydrophobicContact CD2-CD1 4.13Å; F68-L95 HydrophobicContact CG-CD1 4.14Å; L71-L95 HydrophobicContact CB-CD2 3.96Å; L74-L95 HydrophobicContact CB-CD2 4.1Å; L74-L95 HydrophobicContact CD2-CD1 4.26Å; L74-L95 HydrophobicContact CD2-CD2 3.93Å; L77-L95 HydrophobicContact CD2-CD1 3.81Å; F92-L95 HydrophobicContact CB-CD1 4.22Å; F92-L95 HydrophobicContact CD1-CD1 3.92Å; F92-L95 WeakPolarHBondContact O-CB 3.45Å; F92-L95 PolarHBondContact O-N 2.83Å; L95-Q97 PolarHBondContact O-N 2.83Å; L95-L98 HydrophobicContact CB-CB 4.08Å; L95-L98 HydrophobicContact CB-CD2 4.49Å; L95-L98 HydrophobicContact CD1-CD2 4.14Å; L95-L98 VanDerWaalsContact O-CB 3.32Å; L95-L98 WeakPolarHBondContact O-CB 3.49Å; L95-L98 PolarHBondContact O-N 3.34Å; L95-L119 HydrophobicContact CB-CD2 4.23Å | ||
| 96 | N | 88.8 | Confident | 92.5 | Very high | 80 Ų | 80 | 31.9 Ų | 31.9 | 43% | 0.428 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -10.8 | -172.4 | -57.1 | -7 | 0 | 0 | 0 | 113.6 | G93 T94 R121 | G93-N96 PolarHBondContact O-OD1 2.92Å; T94-N96 VanDerWaalsContact C-N 3.28Å; T94-N96 PolarHBondContact O-N 2.97Å; T94-N96 VanDerWaalsContact O-N 3.15Å; N96-R121 WeakPolarHBondContact O-CD 3.22Å; N96-R121 WeakPolarHBondContact O-CG 3.33Å |
| 97 | Q | 96 | Very high | 92.9 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 24% | 0.238 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -1.4 | 177.8 | -59.4 | -55.9 | -38.5 | 0 | 0 | 113.9 | N72 L74 L95 L99 R121 | N72-Q97 WeakPolarHBondContact O-CG 3.48Å; L74-Q97 CarbonylContact O-C 3.05Å; L95-Q97 PolarHBondContact O-N 2.83Å; Q97-L99 PolarHBondContact O-N 3.39Å; Q97-R121 VanDerWaalsContact OE1-CZ 3.25Å |
| 98 | L | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -66 | 127.3 | -172.9 | -160.7 | 71 | 0 | 0 | 0 | 110.8 | L74 L77 L95 L101 L119 R121 L122 | L74-L98 HydrophobicContact CD2-CD1 4.14Å; L74-L98 HydrophobicContact CG-CD1 4.19Å; L74-L98 VanDerWaalsContact O-CA 3.27Å; L74-L98 WeakPolarHBondContact O-CA 3.46Å; L74-L98 PolarHBondContact O-N 2.86Å; L74-L98 VanDerWaalsContact O-N 3.12Å; L77-L98 HydrophobicContact CB-CD1 3.74Å; L77-L98 HydrophobicContact CB-CD2 4.36Å; L95-L98 HydrophobicContact CB-CB 4.08Å; L95-L98 HydrophobicContact CB-CD2 4.49Å; L95-L98 HydrophobicContact CD1-CD2 4.14Å; L95-L98 VanDerWaalsContact O-CB 3.32Å; L95-L98 WeakPolarHBondContact O-CB 3.49Å; L95-L98 PolarHBondContact O-N 3.34Å; L98-L101 HydrophobicContact CD2-CB 4.01Å; L98-L101 HydrophobicContact CD2-CD1 4.34Å; L98-L101 HydrophobicContact CD2-CD2 4.38Å; L98-L101 HydrophobicContact CD2-CG 4.48Å; L98-L119 HydrophobicContact CB-CD2 4.02Å; L98-L119 HydrophobicContact CD2-CD2 3.7Å; L98-R121 CarbonylContact O-C 3.07Å; L98-L122 HydrophobicContact CB-CD1 4.49Å; L98-L122 HydrophobicContact CD2-CD1 4.08Å; L98-L122 HydrophobicContact CG-CD1 4.11Å; L98-L122 VanDerWaalsContact O-CA 3.24Å; L98-L122 WeakPolarHBondContact O-CA 3.48Å; L98-L122 PolarHBondContact O-N 3.12Å; L98-L122 VanDerWaalsContact O-N 3.12Å | ||
| 99 | L | 98.7 | Very high | 93.8 | Very high | 55 Ų | 55 | 37.8 Ų | 37.8 | 29% | 0.288 | 19% | 0.189 | S | C | . | . | trans | -104.2 | -40.1 | 179.6 | -60.4 | -178.3 | 0 | 0 | 0 | 111.2 | R75 Q97 R121 N123 K124 | R75-L99 HydrophobicContact CB-CD1 4.23Å; R75-L99 HydrophobicContact CB-CG 4.24Å; R75-L99 HydrophobicContact CG-CD1 4.32Å; R75-L99 HydrophobicContact CG-CG 4.46Å; R75-L99 WeakPolarHBondContact O-CA 3.41Å; R75-L99 PolarHBondContact O-N 3.2Å; Q97-L99 PolarHBondContact O-N 3.39Å; L99-R121 HydrophobicContact CD2-CB 4.21Å; L99-N123 WeakPolarHBondContact O-CA 3.49Å; L99-N123 WeakPolarHBondContact O-CB 3.27Å; L99-N123 PolarHBondContact O-N 3.14Å; L99-K124 PolarHBondContact O-N 3.01Å | ||
| 100 | E | 98.8 | Very high | 94.3 | Very high | 40 Ų | 40 | 35.1 Ų | 35.1 | 19% | 0.187 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 133.6 | -179.7 | -47.6 | -162.5 | 160.8 | 0 | 0 | 112.6 | R75 F76 L77 Y102 K124 | R75-E100 PolarHBondContact O-N 3.31Å; F76-E100 HydrophobicContact CD1-CB 3.92Å; F76-E100 HydrophobicContact CD1-CG 3.8Å; F76-E100 HydrophobicContact CE1-CB 4.46Å; F76-E100 HydrophobicContact CE1-CG 3.82Å; L77-E100 PolarHBondContact N-O 3.31Å; E100-Y102 HydrophobicContact CB-CD2 4.46Å; E100-Y102 HydrophobicContact CB-CE2 3.73Å; E100-Y102 VanDerWaalsContact OE2-CE2 3.31Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.34Å; E100-Y102 VanDerWaalsContact OE2-CZ 3.32Å; E100-Y102 PolarHBondContact OE2-OH 2.92Å; E100-K124 WeakPolarHBondContact CA-O 3.18Å; E100-K124 HydrophobicContact CB-CB 4.29Å; E100-K124 HydrophobicContact CG-CB 3.97Å |
| 101 | L | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121.6 | 178.3 | 179.1 | 56.7 | 0 | 0 | 0 | 110.4 | L77 L79 F92 L98 L103 L119 L122 K124 L125 V126 | L77-L101 HydrophobicContact CB-CD1 4.03Å; L77-L101 HydrophobicContact CD2-CD1 3.94Å; L77-L101 HydrophobicContact CG-CD1 3.95Å; L79-L101 HydrophobicContact CD1-CD1 4.33Å; F92-L101 HydrophobicContact CD2-CD2 4.21Å; F92-L101 HydrophobicContact CE2-CD2 3.92Å; F92-L101 HydrophobicContact CZ-CD1 4.44Å; F92-L101 HydrophobicContact CZ-CD2 4.17Å; L98-L101 HydrophobicContact CD2-CB 4.01Å; L98-L101 HydrophobicContact CD2-CD1 4.34Å; L98-L101 HydrophobicContact CD2-CD2 4.38Å; L98-L101 HydrophobicContact CD2-CG 4.48Å; L101-L103 HydrophobicContact CD1-CD1 4.44Å; L101-L103 HydrophobicContact CD1-CG 4.17Å; L101-L103 HydrophobicContact CD2-CD1 3.82Å; L101-L103 HydrophobicContact CD2-CG 4.41Å; L101-L103 HydrophobicContact CG-CD1 3.96Å; L101-L103 HydrophobicContact CG-CG 4.03Å; L101-L119 HydrophobicContact CD2-CD1 4.04Å; L101-L122 HydrophobicContact CB-CD1 3.82Å; L101-K124 PolarHBondContact N-O 3.07Å; L101-L125 HydrophobicContact CB-CD1 3.92Å; L101-L125 HydrophobicContact CD2-CD1 3.93Å; L101-L125 HydrophobicContact CG-CD1 3.91Å; L101-V126 PolarHBondContact O-N 2.8Å |
| 102 | Y | 98.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 14% | 0.137 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 112.4 | 179.2 | -63.6 | -98.2 | 0 | 0 | 0 | 110 | L77 R78 L79 E80 E100 K124 V126 | L77-Y102 PolarHBondContact O-N 2.98Å; R78-Y102 HydrophobicContact CG-CD2 3.76Å; R78-Y102 HydrophobicContact CG-CG 4.08Å; L79-Y102 CarbonylContact C-O 3.57Å; L79-Y102 WeakPolarHBondContact CA-O 3.28Å; L79-Y102 WeakPolarHBondContact CB-O 3.47Å; L79-Y102 PolarHBondContact N-O 2.96Å; E80-Y102 PolarHBondContact N-O 2.82Å; E100-Y102 HydrophobicContact CB-CD2 4.46Å; E100-Y102 HydrophobicContact CB-CE2 3.73Å; E100-Y102 VanDerWaalsContact OE2-CE2 3.31Å; E100-Y102 WeakPolarHBondContact OE2-CE2 3.34Å; E100-Y102 VanDerWaalsContact OE2-CZ 3.32Å; E100-Y102 PolarHBondContact OE2-OH 2.92Å; Y102-K124 PolarHBondContact OH-NZ 3.37Å; Y102-V126 HydrophobicContact CD1-CB 3.94Å; Y102-V126 HydrophobicContact CD1-CG2 3.66Å; Y102-V126 HydrophobicContact CE1-CB 4.43Å; Y102-V126 HydrophobicContact CE1-CG2 3.66Å; Y102-V126 HydrophobicContact CG-CG2 4.49Å |
| 103 | L | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -123.9 | 11 | -178.9 | -75.5 | 169.1 | 0 | 0 | 0 | 111.9 | L79 L84 I87 L101 N106 L108 W115 L125 V126 L127 N130 | L79-L103 HydrophobicContact CB-CD2 3.85Å; L79-L103 HydrophobicContact CD1-CD2 3.94Å; L84-L103 HydrophobicContact CD1-CD2 3.82Å; I87-L103 HydrophobicContact CD1-CD1 3.97Å; I87-L103 HydrophobicContact CD1-CD2 3.99Å; L101-L103 HydrophobicContact CD1-CD1 4.44Å; L101-L103 HydrophobicContact CD1-CG 4.17Å; L101-L103 HydrophobicContact CD2-CD1 3.82Å; L101-L103 HydrophobicContact CD2-CG 4.41Å; L101-L103 HydrophobicContact CG-CD1 3.96Å; L101-L103 HydrophobicContact CG-CG 4.03Å; L103-N106 WeakPolarHBondContact O-CB 3.28Å; L103-N106 PolarHBondContact O-ND2 2.88Å; L103-L108 HydrophobicContact CB-CD1 4.27Å; L103-L108 HydrophobicContact CD1-CD1 4.31Å; L103-W115 HydrophobicContact CD1-CH2 4.08Å; L103-W115 HydrophobicContact CD1-CZ3 3.86Å; L103-L125 HydrophobicContact CD1-CD1 4.35Å; L103-V126 CarbonylContact C-O 3.46Å; L103-V126 WeakPolarHBondContact CA-O 3.19Å; L103-V126 PolarHBondContact N-O 2.78Å; L103-L127 HydrophobicContact CB-CD2 3.75Å; L103-L127 HydrophobicContact CD1-CD2 3.91Å; L103-N130 PolarHBondContact O-ND2 3.38Å | ||
| 104 | N | 98.7 | Very high | 94.6 | Very high | 24 Ų | 24 | 37 Ų | 37 | 13% | 0.128 | 19% | 0.19 | C | C | . | . | trans | -64.1 | 159.7 | -179.1 | 54.5 | -74.7 | 0 | 0 | 0 | 113.3 | E80 R81 N106 V126 S128 | E80-N104 WeakPolarHBondContact CA-O 3.43Å; E80-N104 WeakPolarHBondContact CB-ND2 3.5Å; E80-N104 WeakPolarHBondContact CB-O 3.39Å; R81-N104 PolarHBondContact N-O 2.89Å; R81-N104 VanDerWaalsContact N-O 3.17Å; N104-N106 VanDerWaalsContact C-N 3.34Å; N104-N106 PolarHBondContact O-N 3.32Å; N104-N106 PolarHBondContact O-ND2 3.43Å; N104-V126 HydrophobicContact CB-CG1 3.94Å; N104-V126 PolarHBondContact N-O 3.49Å; N104-S128 CarbonylContact C-O 3.11Å; N104-S128 WeakPolarHBondContact CA-O 3.28Å; N104-S128 WeakPolarHBondContact CB-O 3.19Å | ||
| 105 | N | 98.8 | Very high | 94.8 | Very high | 55 Ų | 55 | 36.1 Ų | 36.1 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 56.1 | 45.4 | -179 | -57.8 | 91.3 | 0 | 0 | 0 | 112.8 | R81 S128 N129 | R81-N105 VanDerWaalsContact CA-O 3.29Å; R81-N105 WeakPolarHBondContact CA-O 3.31Å; R81-N105 HydrophobicContact CB-CB 4.41Å; R81-N105 HydrophobicContact CG-CB 3.57Å; R81-N105 PolarHBondContact N-O 3.39Å; N105-S128 PolarHBondContact N-O 3.37Å; N105-N129 WeakPolarHBondContact CA-O 3.26Å; N105-N129 PolarHBondContact N-O 3.5Å; N105-N129 PolarHBondContact ND2-ND2 3.15Å |
| 106 | N | 98.6 | Very high | 94.8 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -120.3 | -156 | 175.1 | -81.4 | -62.7 | 0 | 0 | 0 | 109.9 | L79 N82 G83 L84 L103 N104 N129 N130 | L79-N106 PolarHBondContact O-ND2 3.23Å; N82-N106 WeakPolarHBondContact CB-OD1 3.5Å; N82-N106 PolarHBondContact N-OD1 3Å; N82-N106 VanDerWaalsContact N-OD1 3.16Å; G83-N106 PolarHBondContact N-OD1 2.9Å; L84-N106 HydrophobicContact CB-CB 4.04Å; L84-N106 PolarHBondContact N-OD1 2.83Å; L103-N106 WeakPolarHBondContact O-CB 3.28Å; L103-N106 PolarHBondContact O-ND2 2.88Å; N104-N106 VanDerWaalsContact C-N 3.34Å; N104-N106 PolarHBondContact O-N 3.32Å; N104-N106 PolarHBondContact O-ND2 3.43Å; N106-N129 PolarHBondContact N-O 2.76Å; N106-N130 VanDerWaalsContact CA-OD1 3.26Å; N106-N130 WeakPolarHBondContact CA-OD1 3.32Å; N106-N130 WeakPolarHBondContact CB-OD1 3.02Å; N106-N130 PolarHBondContact N-OD1 3.5Å; N106-N130 PolarHBondContact O-OD1 2.95Å |
| 107 | R | 98 | Very high | 94.8 | Very high | 171 Ų | 171 | 34.6 Ų | 34.6 | 65% | 0.645 | 17% | 0.172 | S | C | * | . | trans | -132 | 29.7 | -176 | -58.3 | 179.6 | -176.4 | -173.2 | -1.4 | 111.4 | L84 A85 N130 | L84-R107 CarbonylContact O-C 3.23Å; L84-R107 VanDerWaalsContact O-CA 3.29Å; L84-R107 WeakPolarHBondContact O-CA 3.39Å; L84-R107 PolarHBondContact O-N 2.93Å; A85-R107 HydrophobicContact CB-CB 4.29Å; R107-N130 PolarHBondContact N-OD1 3.33Å; R107-N130 VanDerWaalsContact N-OD1 3.11Å | ||
| 108 | L | 98.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | trans | -67.9 | 137.1 | 179.2 | -60.1 | 175.7 | 0 | 0 | 0 | 109.8 | L84 I87 L103 L127 N130 A131 I132 | L84-L108 HydrophobicContact CB-CD2 4.32Å; L84-L108 PolarHBondContact O-N 2.88Å; I87-L108 HydrophobicContact CD1-CD1 4.03Å; I87-L108 HydrophobicContact CD1-CD2 3.83Å; I87-L108 HydrophobicContact CG1-CD2 3.84Å; L103-L108 HydrophobicContact CB-CD1 4.27Å; L103-L108 HydrophobicContact CD1-CD1 4.31Å; L108-L127 HydrophobicContact CD1-CD2 3.72Å; L108-N130 HydrophobicContact CB-CB 4.31Å; L108-N130 WeakPolarHBondContact CB-OD1 3.19Å; L108-N130 PolarHBondContact N-OD1 2.92Å; L108-A131 CarbonylContact O-C 3.56Å; L108-A131 VanDerWaalsContact O-CA 3.28Å; L108-A131 WeakPolarHBondContact O-CA 3.39Å; L108-A131 PolarHBondContact O-N 2.96Å; L108-I132 HydrophobicContact CB-CG1 4.25Å; L108-I132 WeakPolarHBondContact O-CG1 3.37Å; L108-I132 PolarHBondContact O-N 2.78Å; L108-I132 VanDerWaalsContact O-N 3.14Å | ||
| 109 | I | 96 | Very high | 94.1 | Very high | 99 Ų | 99 | 32.3 Ų | 32.3 | 51% | 0.508 | 16% | 0.162 | S | C | . | . | trans | -105.4 | -19.3 | -175.4 | -56.4 | 169.1 | 0 | 0 | 0 | 111.7 | A131 I132 E133 | I109-A131 WeakPolarHBondContact CA-O 3.32Å; I109-A131 HydrophobicContact CG1-CB 4.45Å; I109-I132 WeakPolarHBondContact O-CA 3.49Å; I109-E133 PolarHBondContact O-N 3.07Å | ||
| 110 | S | 94.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 35.7 Ų | 35.7 | 40% | 0.399 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 156 | 179.8 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | N134 | S110-N134 CarbonylContact C-O 3.21Å; S110-N134 WeakPolarHBondContact CA-O 3.45Å; S110-N134 WeakPolarHBondContact CB-O 3.18Å |
| 111 | V | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.7 | 161.7 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | W115 L116 L127 I132 N134 V135 D136 W140 L151 | V111-W115 HydrophobicContact CB-CZ2 4.3Å; V111-W115 HydrophobicContact CG1-CZ2 3.97Å; V111-W115 HydrophobicContact CG2-CZ2 4.34Å; V111-L116 HydrophobicContact CG1-CD1 3.58Å; V111-L127 HydrophobicContact CG2-CD1 3.83Å; V111-I132 HydrophobicContact CG2-CD1 4.01Å; V111-I132 HydrophobicContact CG2-CG2 4.25Å; V111-N134 PolarHBondContact N-O 3.25Å; V111-V135 HydrophobicContact CB-CG1 4.28Å; V111-V135 HydrophobicContact CB-CG2 4.29Å; V111-V135 HydrophobicContact CG2-CG2 4.31Å; V111-D136 WeakPolarHBondContact O-CB 3.25Å; V111-D136 PolarHBondContact O-N 2.79Å; V111-W140 HydrophobicContact CB-CH2 4.28Å; V111-W140 HydrophobicContact CB-CZ2 4.39Å; V111-W140 HydrophobicContact CG1-CE3 4.31Å; V111-W140 HydrophobicContact CG1-CH2 3.59Å; V111-W140 HydrophobicContact CG1-CZ2 3.91Å; V111-W140 HydrophobicContact CG1-CZ3 3.79Å; V111-W140 HydrophobicContact CG2-CH2 4.03Å; V111-W140 HydrophobicContact CG2-CZ2 4.37Å; V111-L151 HydrophobicContact CG2-CD2 4.38Å |
| 112 | G | 86.4 | Confident | 93.7 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | trans | -129.5 | 145.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G114 W115 | G112-G114 PolarHBondContact O-N 3.22Å; G112-W115 VanDerWaalsContact N-NE1 3.11Å | ||
| 113 | R | 84.6 | Confident | 93.7 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -39.2 | 179.8 | 173.8 | -177.5 | 170.1 | -177.3 | -2.5 | 112.8 | Y117 D136 E138 F142 Q577 | R113-Y117 PolarHBondContact O-N 3.26Å; R113-D136 WeakPolarHBondContact CB-OD2 3.37Å; R113-D136 PolarHBondContact N-OD2 3.31Å; R113-E138 HydrophobicContact CB-CB 4.46Å; R113-F142 HydrophobicContact CG-CD2 4.21Å; R113-F142 HydrophobicContact CG-CE2 3.64Å; R113-Q577 PolarHBondContact NH2-O 2.95Å; R113-Q577 VanDerWaalsContact NH2-O 3.11Å |
| 114 | G | 82.8 | Confident | 93.7 | Very high | 20 Ų | 20 | 43 Ų | 43 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -43.3 | -169 | 0 | 0 | 0 | 0 | 0 | 113.6 | D89 G90 G112 Y117 | D89-G114 WeakPolarHBondContact CA-O 3.33Å; D89-G114 VanDerWaalsContact OD1-CA 3.28Å; D89-G114 WeakPolarHBondContact OD1-CA 3.41Å; G90-G114 PolarHBondContact N-O 3.31Å; G112-G114 PolarHBondContact O-N 3.22Å; G114-Y117 WeakPolarHBondContact O-CB 3.41Å; G114-Y117 PolarHBondContact O-N 3.38Å |
| 115 | W | 89.2 | Confident | 93.7 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -23.3 | -179 | 67.4 | -105.3 | 0 | 0 | 0 | 113.7 | I87 D89 F92 L103 V111 G112 Y117 L127 | I87-W115 HydrophobicContact CB-CB 3.96Å; I87-W115 HydrophobicContact CB-CD2 4.36Å; I87-W115 HydrophobicContact CB-CG 4.08Å; I87-W115 HydrophobicContact CD1-CD2 4.43Å; I87-W115 HydrophobicContact CD1-CE3 4.18Å; I87-W115 HydrophobicContact CD1-CZ3 4.36Å; I87-W115 HydrophobicContact CG2-CB 3.58Å; I87-W115 HydrophobicContact CG2-CD2 4.34Å; I87-W115 HydrophobicContact CG2-CE3 4.3Å; I87-W115 HydrophobicContact CG2-CG 4.09Å; D89-W115 PolarHBondContact OD1-N 2.88Å; F92-W115 HydrophobicContact CD2-CE3 4.02Å; F92-W115 HydrophobicContact CD2-CZ3 4.48Å; F92-W115 VanDerWaalsContact CD2-O 3.25Å; F92-W115 WeakPolarHBondContact CD2-O 3.28Å; F92-W115 AromaticContact CE2-CE3 3.68Å; F92-W115 HydrophobicContact CE2-CE3 3.68Å; F92-W115 AromaticContact CE2-CZ3 3.97Å; F92-W115 HydrophobicContact CE2-CZ3 3.97Å; L103-W115 HydrophobicContact CD1-CH2 4.08Å; L103-W115 HydrophobicContact CD1-CZ3 3.86Å; V111-W115 HydrophobicContact CB-CZ2 4.3Å; V111-W115 HydrophobicContact CG1-CZ2 3.97Å; V111-W115 HydrophobicContact CG2-CZ2 4.34Å; G112-W115 VanDerWaalsContact N-NE1 3.11Å; W115-Y117 PolarHBondContact O-N 3.05Å; W115-L127 HydrophobicContact CH2-CD1 4.5Å; W115-L127 HydrophobicContact CH2-CD2 4.22Å |
| 116 | L | 93 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -1.6 | 171.6 | -74.1 | 173.3 | 0 | 0 | 0 | 113.7 | V111 G118 L119 L125 G139 W140 | V111-L116 HydrophobicContact CG1-CD1 3.58Å; L116-G118 PolarHBondContact O-N 3.36Å; L116-L119 HydrophobicContact CD2-CD1 3.78Å; L116-L119 WeakPolarHBondContact O-CB 3.49Å; L116-L119 PolarHBondContact O-N 3.31Å; L116-L125 HydrophobicContact CD2-CD2 4.22Å; L116-G139 WeakPolarHBondContact CD1-O 3.32Å; L116-W140 HydrophobicContact CD1-CE3 3.81Å; L116-W140 HydrophobicContact CD1-CZ3 3.84Å |
| 117 | Y | 88.2 | Confident | 93.7 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 135.5 | 179.1 | 176.2 | -98.9 | 0 | 0 | 0 | 112.5 | G93 R113 G114 W115 F142 M553 | G93-Y117 WeakPolarHBondContact CA-O 3.33Å; R113-Y117 PolarHBondContact O-N 3.26Å; G114-Y117 WeakPolarHBondContact O-CB 3.41Å; G114-Y117 PolarHBondContact O-N 3.38Å; W115-Y117 PolarHBondContact O-N 3.05Å; Y117-F142 HydrophobicContact CD2-CD1 4.18Å; Y117-F142 HydrophobicContact CD2-CD2 4.18Å; Y117-F142 AromaticContact CD2-CE1 3.77Å; Y117-F142 HydrophobicContact CD2-CE1 3.77Å; Y117-F142 AromaticContact CD2-CE2 3.74Å; Y117-F142 HydrophobicContact CD2-CE2 3.74Å; Y117-F142 HydrophobicContact CD2-CG 4.38Å; Y117-F142 AromaticContact CD2-CZ 3.54Å; Y117-F142 HydrophobicContact CD2-CZ 3.54Å; Y117-F142 HydrophobicContact CE2-CD1 4.47Å; Y117-F142 AromaticContact CE2-CE1 3.93Å; Y117-F142 HydrophobicContact CE2-CE1 3.93Å; Y117-F142 HydrophobicContact CE2-CZ 4.03Å; Y117-M553 HydrophobicContact CD1-CE 4.3Å; Y117-M553 HydrophobicContact CD2-CE 3.89Å; Y117-M553 HydrophobicContact CE1-CE 3.63Å; Y117-M553 HydrophobicContact CE1-SD 3.71Å; Y117-M553 HydrophobicContact CE2-CE 3.13Å; Y117-M553 HydrophobicContact CE2-SD 4.28Å; Y117-M553 HydrophobicContact CG-CE 4.43Å; Y117-M553 VanDerWaalsContact CZ-SD 3.53Å; Y117-M553 WeakPolarHBondContact OH-CE 3.49Å; Y117-M553 PolarHBondContact OH-SD 3.12Å; Y117-M553 VanDerWaalsContact OH-SD 3.32Å |
| 118 | G | 85.6 | Confident | 93.7 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -6.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | L116 E120 | L116-G118 PolarHBondContact O-N 3.36Å; G118-E120 PolarHBondContact O-N 3.32Å |
| 119 | L | 94.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -80.6 | 45.9 | -176.4 | -65.5 | -177.4 | 0 | 0 | 0 | 114.3 | F92 L95 L98 L101 L116 R121 L122 F142 | F92-L119 HydrophobicContact CB-CD1 4.14Å; F92-L119 HydrophobicContact CB-CD2 3.83Å; F92-L119 HydrophobicContact CB-CG 4.06Å; F92-L119 HydrophobicContact CD2-CD1 4.08Å; F92-L119 HydrophobicContact CG-CD1 4.4Å; L95-L119 HydrophobicContact CB-CD2 4.23Å; L98-L119 HydrophobicContact CB-CD2 4.02Å; L98-L119 HydrophobicContact CD2-CD2 3.7Å; L101-L119 HydrophobicContact CD2-CD1 4.04Å; L116-L119 HydrophobicContact CD2-CD1 3.78Å; L116-L119 WeakPolarHBondContact O-CB 3.49Å; L116-L119 PolarHBondContact O-N 3.31Å; L119-R121 PolarHBondContact O-N 3.31Å; L119-L122 HydrophobicContact CB-CB 4.1Å; L119-L122 HydrophobicContact CB-CD2 4.42Å; L119-L122 HydrophobicContact CD1-CD2 4.11Å; L119-L122 VanDerWaalsContact O-CB 3.3Å; L119-L122 WeakPolarHBondContact O-CB 3.36Å; L119-L122 PolarHBondContact O-N 3.4Å; L119-L122 VanDerWaalsContact O-N 3.11Å; L119-F142 CarbonylContact C-O 3.52Å; L119-F142 VanDerWaalsContact O-O 3.06Å | ||
| 120 | E | 92.9 | Very high | 93.9 | Very high | 126 Ų | 126 | 31.3 Ų | 31.3 | 59% | 0.589 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22.8 | -171.3 | -63.4 | -177.9 | -176.4 | 0 | 0 | 114.7 | G118 F142 R145 | G118-E120 PolarHBondContact O-N 3.32Å; E120-F142 VanDerWaalsContact CA-O 3.24Å; E120-F142 WeakPolarHBondContact CA-O 3.16Å; E120-F142 PolarHBondContact N-O 2.87Å; E120-R145 VanDerWaalsContact O-CD 3.28Å; E120-R145 WeakPolarHBondContact O-CD 3.08Å; E120-R145 WeakPolarHBondContact O-CG 3.34Å |
| 121 | R | 97.2 | Very high | 94.1 | Very high | 112 Ų | 112 | 30.7 Ų | 30.7 | 42% | 0.423 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -1.4 | 178.7 | -67.2 | -168.2 | 177.6 | -161 | -3.5 | 114 | N96 Q97 L98 L99 L119 N123 | N96-R121 WeakPolarHBondContact O-CD 3.22Å; N96-R121 WeakPolarHBondContact O-CG 3.33Å; Q97-R121 VanDerWaalsContact OE1-CZ 3.25Å; L98-R121 CarbonylContact O-C 3.07Å; L99-R121 HydrophobicContact CD2-CB 4.21Å; L119-R121 PolarHBondContact O-N 3.31Å; R121-N123 PolarHBondContact O-N 3.31Å |
| 122 | L | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -63 | 122.4 | -173.6 | -165.6 | 74.3 | 0 | 0 | 0 | 110.7 | L98 L101 L119 L125 R145 L146 | L98-L122 HydrophobicContact CB-CD1 4.49Å; L98-L122 HydrophobicContact CD2-CD1 4.08Å; L98-L122 HydrophobicContact CG-CD1 4.11Å; L98-L122 VanDerWaalsContact O-CA 3.24Å; L98-L122 WeakPolarHBondContact O-CA 3.48Å; L98-L122 PolarHBondContact O-N 3.12Å; L98-L122 VanDerWaalsContact O-N 3.12Å; L101-L122 HydrophobicContact CB-CD1 3.82Å; L119-L122 HydrophobicContact CB-CB 4.1Å; L119-L122 HydrophobicContact CB-CD2 4.42Å; L119-L122 HydrophobicContact CD1-CD2 4.11Å; L119-L122 VanDerWaalsContact O-CB 3.3Å; L119-L122 WeakPolarHBondContact O-CB 3.36Å; L119-L122 PolarHBondContact O-N 3.4Å; L119-L122 VanDerWaalsContact O-N 3.11Å; L122-L125 HydrophobicContact CD2-CB 4.04Å; L122-L125 HydrophobicContact CD2-CD1 4.38Å; L122-L125 HydrophobicContact CD2-CD2 4.37Å; L122-R145 CarbonylContact O-C 3.26Å; L122-R145 VanDerWaalsContact O-C 3.23Å; L122-L146 HydrophobicContact CD2-CD1 4Å; L122-L146 HydrophobicContact CG-CD1 3.99Å; L122-L146 WeakPolarHBondContact O-CA 3.44Å; L122-L146 PolarHBondContact O-N 3.11Å; L122-L146 VanDerWaalsContact O-N 3.14Å | ||
| 123 | N | 98.6 | Very high | 94.7 | Very high | 60 Ų | 60 | 33.7 Ų | 33.7 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | trans | -102.7 | -35.8 | -178.3 | 179 | 60.2 | 0 | 0 | 0 | 111.7 | L99 R121 T147 T148 | L99-N123 WeakPolarHBondContact O-CA 3.49Å; L99-N123 WeakPolarHBondContact O-CB 3.27Å; L99-N123 PolarHBondContact O-N 3.14Å; R121-N123 PolarHBondContact O-N 3.31Å; N123-T147 PolarHBondContact ND2-OG1 2.83Å; N123-T147 PolarHBondContact O-N 2.82Å; N123-T147 PolarHBondContact O-OG1 2.86Å; N123-T147 WeakPolarHBondContact OD1-CB 3.24Å; N123-T147 WeakPolarHBondContact OD1-CG2 3.3Å; N123-T147 PolarHBondContact OD1-OG1 2.85Å; N123-T148 PolarHBondContact O-N 3.46Å; N123-T148 VanDerWaalsContact O-N 3.1Å | ||
| 124 | K | 98.9 | Very high | 95 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.8 | -177.7 | -175.9 | 175.8 | -177.7 | -169.9 | 0 | 111.7 | L99 E100 L101 Y102 V126 T148 | L99-K124 PolarHBondContact O-N 3.01Å; E100-K124 WeakPolarHBondContact CA-O 3.18Å; E100-K124 HydrophobicContact CB-CB 4.29Å; E100-K124 HydrophobicContact CG-CB 3.97Å; L101-K124 PolarHBondContact N-O 3.07Å; Y102-K124 PolarHBondContact OH-NZ 3.37Å; K124-V126 HydrophobicContact CG-CG2 4.23Å; K124-T148 WeakPolarHBondContact CA-O 3.38Å; K124-T148 HydrophobicContact CD-CG2 4.42Å; K124-T148 HydrophobicContact CG-CG2 3.99Å |
| 125 | L | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 122.6 | 176.6 | 179.7 | 59.3 | 0 | 0 | 0 | 109.9 | L101 L103 L116 L122 L127 W140 L146 T148 L149 D150 | L101-L125 HydrophobicContact CB-CD1 3.92Å; L101-L125 HydrophobicContact CD2-CD1 3.93Å; L101-L125 HydrophobicContact CG-CD1 3.91Å; L103-L125 HydrophobicContact CD1-CD1 4.35Å; L116-L125 HydrophobicContact CD2-CD2 4.22Å; L122-L125 HydrophobicContact CD2-CB 4.04Å; L122-L125 HydrophobicContact CD2-CD1 4.38Å; L122-L125 HydrophobicContact CD2-CD2 4.37Å; L125-L127 HydrophobicContact CD1-CD1 4.41Å; L125-L127 HydrophobicContact CD1-CG 4.16Å; L125-L127 HydrophobicContact CD2-CD1 3.71Å; L125-L127 HydrophobicContact CD2-CG 4.32Å; L125-L127 HydrophobicContact CG-CD1 3.89Å; L125-L127 HydrophobicContact CG-CG 3.98Å; L125-W140 HydrophobicContact CD2-CH2 4.35Å; L125-W140 HydrophobicContact CD2-CZ3 3.67Å; L125-L146 HydrophobicContact CB-CD1 3.78Å; L125-L146 HydrophobicContact CB-CD2 4.27Å; L125-T148 PolarHBondContact N-O 3.09Å; L125-L149 HydrophobicContact CB-CD1 4.19Å; L125-L149 HydrophobicContact CD2-CD1 4.13Å; L125-L149 HydrophobicContact CG-CD1 4.23Å; L125-D150 PolarHBondContact O-N 2.76Å |
| 126 | V | 98.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 109.5 | -179.7 | -169.2 | 0 | 0 | 0 | 0 | 109 | L101 Y102 L103 N104 K124 D150 | L101-V126 PolarHBondContact O-N 2.8Å; Y102-V126 HydrophobicContact CD1-CB 3.94Å; Y102-V126 HydrophobicContact CD1-CG2 3.66Å; Y102-V126 HydrophobicContact CE1-CB 4.43Å; Y102-V126 HydrophobicContact CE1-CG2 3.66Å; Y102-V126 HydrophobicContact CG-CG2 4.49Å; L103-V126 CarbonylContact C-O 3.46Å; L103-V126 WeakPolarHBondContact CA-O 3.19Å; L103-V126 PolarHBondContact N-O 2.78Å; N104-V126 HydrophobicContact CB-CG1 3.94Å; N104-V126 PolarHBondContact N-O 3.49Å; K124-V126 HydrophobicContact CG-CG2 4.23Å; V126-D150 HydrophobicContact CG1-CB 4.13Å |
| 127 | L | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -117.2 | 13 | -178 | -76 | 165 | 0 | 0 | 0 | 112.2 | L103 L108 V111 W115 L125 N130 I132 W140 L149 D150 L151 N154 | L103-L127 HydrophobicContact CB-CD2 3.75Å; L103-L127 HydrophobicContact CD1-CD2 3.91Å; L108-L127 HydrophobicContact CD1-CD2 3.72Å; V111-L127 HydrophobicContact CG2-CD1 3.83Å; W115-L127 HydrophobicContact CH2-CD1 4.5Å; W115-L127 HydrophobicContact CH2-CD2 4.22Å; L125-L127 HydrophobicContact CD1-CD1 4.41Å; L125-L127 HydrophobicContact CD1-CG 4.16Å; L125-L127 HydrophobicContact CD2-CD1 3.71Å; L125-L127 HydrophobicContact CD2-CG 4.32Å; L125-L127 HydrophobicContact CG-CD1 3.89Å; L125-L127 HydrophobicContact CG-CG 3.98Å; L127-N130 PolarHBondContact O-ND2 3.06Å; L127-I132 HydrophobicContact CB-CD1 3.99Å; L127-I132 HydrophobicContact CD1-CD1 4.31Å; L127-I132 HydrophobicContact CD2-CD1 4.19Å; L127-I132 HydrophobicContact CG-CD1 4.41Å; L127-W140 HydrophobicContact CD1-CH2 4.29Å; L127-L149 HydrophobicContact CD1-CD1 4.48Å; L127-D150 CarbonylContact C-O 3.41Å; L127-D150 WeakPolarHBondContact CA-O 3.35Å; L127-D150 WeakPolarHBondContact CB-O 3.35Å; L127-D150 PolarHBondContact N-O 3.48Å; L127-L151 HydrophobicContact CB-CD2 3.94Å; L127-L151 HydrophobicContact CD1-CD2 3.88Å; L127-N154 PolarHBondContact O-ND2 2.92Å; L127-N154 VanDerWaalsContact O-ND2 3.13Å | ||
| 128 | S | 98.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 42 Ų | 42 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | trans | -63.6 | 151.8 | -175.4 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | N104 N105 N130 D150 S152 | N104-S128 CarbonylContact C-O 3.11Å; N104-S128 WeakPolarHBondContact CA-O 3.28Å; N104-S128 WeakPolarHBondContact CB-O 3.19Å; N105-S128 PolarHBondContact N-O 3.37Å; S128-N130 PolarHBondContact O-ND2 3.03Å; S128-D150 WeakPolarHBondContact CB-OD1 3.24Å; S128-D150 WeakPolarHBondContact CB-OD2 3.32Å; S128-D150 PolarHBondContact N-O 3.17Å; S128-D150 PolarHBondContact OG-OD2 3.3Å; S128-S152 CarbonylContact C-O 3.6Å; S128-S152 WeakPolarHBondContact CA-O 3.49Å; S128-S152 VanDerWaalsContact CB-O 3.3Å; S128-S152 WeakPolarHBondContact CB-O 3.49Å; S128-S152 WeakPolarHBondContact CB-OG 3.48Å | ||
| 129 | N | 98.7 | Very high | 94.9 | Very high | 76 Ų | 76 | 41.9 Ų | 41.9 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 56.7 | 57.2 | 179.7 | -161.3 | 26.6 | 0 | 0 | 0 | 112.4 | N105 N106 S152 K153 | N105-N129 WeakPolarHBondContact CA-O 3.26Å; N105-N129 PolarHBondContact N-O 3.5Å; N105-N129 PolarHBondContact ND2-ND2 3.15Å; N106-N129 PolarHBondContact N-O 2.76Å; N129-S152 PolarHBondContact N-O 3.36Å; N129-K153 WeakPolarHBondContact CA-O 3.45Å; N129-K153 HydrophobicContact CB-CB 4.18Å; N129-K153 PolarHBondContact N-O 3.16Å |
| 130 | N | 98.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 9% | 0.086 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -122 | -162.5 | 170.7 | -86 | -80.8 | 0 | 0 | 0 | 108.5 | L103 N106 R107 L108 L127 S128 I132 K153 N154 | L103-N130 PolarHBondContact O-ND2 3.38Å; N106-N130 VanDerWaalsContact CA-OD1 3.26Å; N106-N130 WeakPolarHBondContact CA-OD1 3.32Å; N106-N130 WeakPolarHBondContact CB-OD1 3.02Å; N106-N130 PolarHBondContact N-OD1 3.5Å; N106-N130 PolarHBondContact O-OD1 2.95Å; R107-N130 PolarHBondContact N-OD1 3.33Å; R107-N130 VanDerWaalsContact N-OD1 3.11Å; L108-N130 HydrophobicContact CB-CB 4.31Å; L108-N130 WeakPolarHBondContact CB-OD1 3.19Å; L108-N130 PolarHBondContact N-OD1 2.92Å; L127-N130 PolarHBondContact O-ND2 3.06Å; S128-N130 PolarHBondContact O-ND2 3.03Å; N130-I132 HydrophobicContact CB-CD1 4.17Å; N130-I132 HydrophobicContact CB-CG1 4.05Å; N130-K153 PolarHBondContact N-O 2.91Å; N130-N154 WeakPolarHBondContact CA-OD1 3.38Å; N130-N154 WeakPolarHBondContact CB-OD1 3.47Å; N130-N154 PolarHBondContact N-OD1 2.78Å; N130-N154 PolarHBondContact O-OD1 2.79Å |
| 131 | A | 98 | Very high | 94.9 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | trans | -116.8 | 31.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L108 I109 E133 N154 | L108-A131 CarbonylContact O-C 3.56Å; L108-A131 VanDerWaalsContact O-CA 3.28Å; L108-A131 WeakPolarHBondContact O-CA 3.39Å; L108-A131 PolarHBondContact O-N 2.96Å; I109-A131 WeakPolarHBondContact CA-O 3.32Å; I109-A131 HydrophobicContact CG1-CB 4.45Å; A131-E133 PolarHBondContact O-N 3.27Å; A131-N154 PolarHBondContact N-OD1 2.03Å | ||
| 132 | I | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -69.1 | 116.7 | -172 | -62.9 | 166.5 | 0 | 0 | 0 | 109.3 | L108 I109 V111 L127 N130 V135 L151 N154 A155 I156 | L108-I132 HydrophobicContact CB-CG1 4.25Å; L108-I132 WeakPolarHBondContact O-CG1 3.37Å; L108-I132 PolarHBondContact O-N 2.78Å; L108-I132 VanDerWaalsContact O-N 3.14Å; I109-I132 WeakPolarHBondContact O-CA 3.49Å; V111-I132 HydrophobicContact CG2-CD1 4.01Å; V111-I132 HydrophobicContact CG2-CG2 4.25Å; L127-I132 HydrophobicContact CB-CD1 3.99Å; L127-I132 HydrophobicContact CD1-CD1 4.31Å; L127-I132 HydrophobicContact CD2-CD1 4.19Å; L127-I132 HydrophobicContact CG-CD1 4.41Å; N130-I132 HydrophobicContact CB-CD1 4.17Å; N130-I132 HydrophobicContact CB-CG1 4.05Å; I132-V135 HydrophobicContact CG2-CG2 4.43Å; I132-L151 HydrophobicContact CD1-CD2 4.06Å; I132-N154 HydrophobicContact CB-CB 4.14Å; I132-N154 VanDerWaalsContact CB-OD1 3.3Å; I132-N154 WeakPolarHBondContact CB-OD1 3.28Å; I132-N154 WeakPolarHBondContact CG1-OD1 3.44Å; I132-N154 PolarHBondContact N-OD1 3.17Å; I132-A155 CarbonylContact O-C 3.53Å; I132-A155 VanDerWaalsContact O-C 3.26Å; I132-A155 WeakPolarHBondContact O-CA 3.5Å; I132-A155 PolarHBondContact O-N 3.33Å; I132-I156 HydrophobicContact CG2-CG1 4.42Å; I132-I156 WeakPolarHBondContact O-CG1 3.29Å; I132-I156 PolarHBondContact O-N 3.46Å | ||
| 133 | E | 95.8 | Very high | 94.6 | Very high | 79 Ų | 79 | 35.5 Ų | 35.5 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | trans | -101.6 | -34.3 | 172.7 | -66.9 | -168.5 | 148.6 | 0 | 0 | 111.6 | I109 A131 A155 R157 | I109-E133 PolarHBondContact O-N 3.07Å; A131-E133 PolarHBondContact O-N 3.27Å; E133-A155 HydrophobicContact CG-CB 3.65Å; E133-R157 IonicContact OE1-NH2 3.31Å; E133-R157 PolarHBondContact OE1-NH2 3.35Å; E133-R157 VanDerWaalsContact OE1-NH2 3.1Å | ||
| 134 | N | 91.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 36.7 Ų | 36.7 | 56% | 0.556 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.6 | -170.6 | -60.5 | -52.8 | 0 | 0 | 0 | 112 | S110 V111 | S110-N134 CarbonylContact C-O 3.21Å; S110-N134 WeakPolarHBondContact CA-O 3.45Å; S110-N134 WeakPolarHBondContact CB-O 3.18Å; V111-N134 PolarHBondContact N-O 3.25Å |
| 135 | V | 94.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 40.2 Ų | 40.2 | 15% | 0.145 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.8 | 169.5 | 177.1 | 0 | 0 | 0 | 0 | 106.9 | V111 I132 S137 W140 T163 | V111-V135 HydrophobicContact CB-CG1 4.28Å; V111-V135 HydrophobicContact CB-CG2 4.29Å; V111-V135 HydrophobicContact CG2-CG2 4.31Å; I132-V135 HydrophobicContact CG2-CG2 4.43Å; V135-S137 PolarHBondContact O-N 3.34Å; V135-W140 HydrophobicContact CG1-CZ2 3.71Å; V135-W140 VanDerWaalsContact CG1-NE1 3.31Å; V135-T163 HydrophobicContact CB-CG2 4.18Å; V135-T163 HydrophobicContact CG1-CG2 4.28Å |
| 136 | D | 87 | Confident | 94.3 | Very high | 64 Ų | 64 | 40.2 Ų | 40.2 | 34% | 0.342 | 21% | 0.205 | S | C | . | . | trans | -57 | 134.8 | 174.7 | -179.8 | -7.3 | 0 | 0 | 0 | 110.3 | V111 R113 E138 G139 | V111-D136 WeakPolarHBondContact O-CB 3.25Å; V111-D136 PolarHBondContact O-N 2.79Å; R113-D136 WeakPolarHBondContact CB-OD2 3.37Å; R113-D136 PolarHBondContact N-OD2 3.31Å; D136-E138 PolarHBondContact O-N 2.97Å; D136-E138 VanDerWaalsContact O-N 3.12Å; D136-E138 PolarHBondContact OD1-N 3.19Å; D136-G139 WeakPolarHBondContact O-CA 3Å; D136-G139 PolarHBondContact O-N 3.19Å | ||
| 137 | S | 82.4 | Confident | 94.3 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 33% | 0.329 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -27.3 | 175.8 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | V135 | V135-S137 PolarHBondContact O-N 3.34Š|
| 138 | E | 86.4 | Confident | 94.3 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 9.5 | 175.3 | -63.5 | -77.3 | 141.9 | 0 | 0 | 112.2 | R113 D136 W140 R141 Y166 | R113-E138 HydrophobicContact CB-CB 4.46Å; D136-E138 PolarHBondContact O-N 2.97Å; D136-E138 VanDerWaalsContact O-N 3.12Å; D136-E138 PolarHBondContact OD1-N 3.19Å; E138-W140 PolarHBondContact O-N 3.45Å; E138-W140 VanDerWaalsContact O-N 3.16Å; E138-R141 VanDerWaalsContact O-CB 3.32Å; E138-R141 WeakPolarHBondContact O-CB 3.31Å; E138-R141 PolarHBondContact O-N 2.85Å; E138-R141 VanDerWaalsContact O-N 3.16Å; E138-R141 IonicContact OE2-NH1 3.12Å; E138-R141 PolarHBondContact OE2-NH1 3.13Å; E138-Y166 PolarHBondContact OE1-OH 3.48Å; E138-Y166 VanDerWaalsContact OE1-OH 3.05Å; E138-Y166 PolarHBondContact OE2-OH 3.47Å; E138-Y166 VanDerWaalsContact OE2-OH 3.04Å |
| 139 | G | 85.9 | Confident | 94.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -37.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L116 D136 | L116-G139 WeakPolarHBondContact CD1-O 3.32Å; D136-G139 WeakPolarHBondContact O-CA 3Å; D136-G139 PolarHBondContact O-N 3.19Å |
| 140 | W | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1.9 | -174.2 | -49.6 | 114.2 | 0 | 0 | 0 | 115 | V111 L116 L125 L127 V135 E138 F142 C143 L149 L151 T163 L167 | V111-W140 HydrophobicContact CB-CH2 4.28Å; V111-W140 HydrophobicContact CB-CZ2 4.39Å; V111-W140 HydrophobicContact CG1-CE3 4.31Å; V111-W140 HydrophobicContact CG1-CH2 3.59Å; V111-W140 HydrophobicContact CG1-CZ2 3.91Å; V111-W140 HydrophobicContact CG1-CZ3 3.79Å; V111-W140 HydrophobicContact CG2-CH2 4.03Å; V111-W140 HydrophobicContact CG2-CZ2 4.37Å; L116-W140 HydrophobicContact CD1-CE3 3.81Å; L116-W140 HydrophobicContact CD1-CZ3 3.84Å; L125-W140 HydrophobicContact CD2-CH2 4.35Å; L125-W140 HydrophobicContact CD2-CZ3 3.67Å; L127-W140 HydrophobicContact CD1-CH2 4.29Å; V135-W140 HydrophobicContact CG1-CZ2 3.71Å; V135-W140 VanDerWaalsContact CG1-NE1 3.31Å; E138-W140 PolarHBondContact O-N 3.45Å; E138-W140 VanDerWaalsContact O-N 3.16Å; W140-F142 PolarHBondContact O-N 3.28Å; W140-C143 PolarHBondContact O-N 2.69Å; W140-L149 HydrophobicContact CH2-CD1 3.83Å; W140-L149 HydrophobicContact CH2-CD2 3.85Å; W140-L149 HydrophobicContact CZ2-CD2 3.88Å; W140-L149 HydrophobicContact CZ3-CD1 4.19Å; W140-L149 HydrophobicContact CZ3-CD2 4.42Å; W140-L151 HydrophobicContact CZ2-CD1 4.28Å; W140-T163 PolarHBondContact NE1-O 2.81Å; W140-L167 HydrophobicContact CB-CD1 4.36Å; W140-L167 HydrophobicContact CB-CD2 3.74Å; W140-L167 HydrophobicContact CB-CG 3.88Å; W140-L167 HydrophobicContact CD2-CD1 3.98Å; W140-L167 HydrophobicContact CD2-CD2 4.44Å; W140-L167 HydrophobicContact CD2-CG 4.45Å; W140-L167 HydrophobicContact CG-CD1 3.84Å; W140-L167 HydrophobicContact CG-CD2 4.07Å; W140-L167 HydrophobicContact CG-CG 3.9Å |
| 141 | R | 92.8 | Very high | 94.3 | Very high | 82 Ų | 82 | 38.7 Ų | 38.7 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -32.9 | -173.9 | -179 | 179.8 | 177.4 | 125.5 | 0.8 | 113.6 | E138 M144 Y166 | E138-R141 VanDerWaalsContact O-CB 3.32Å; E138-R141 WeakPolarHBondContact O-CB 3.31Å; E138-R141 PolarHBondContact O-N 2.85Å; E138-R141 VanDerWaalsContact O-N 3.16Å; E138-R141 IonicContact OE2-NH1 3.12Å; E138-R141 PolarHBondContact OE2-NH1 3.13Å; R141-M144 HydrophobicContact CG-CE 4.2Å; R141-M144 WeakPolarHBondContact O-CE 3.28Å; R141-M144 VanDerWaalsContact O-CG 3.31Å; R141-M144 WeakPolarHBondContact O-CG 3.41Å; R141-Y166 HydrophobicContact CB-CD2 4.28Å; R141-Y166 HydrophobicContact CB-CE2 4.34Å |
| 142 | F | 92.6 | Very high | 94.4 | Very high | 22 Ų | 22 | 37 Ų | 37 | 10% | 0.096 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -5.9 | -179.9 | -58.1 | -69.2 | 0 | 0 | 0 | 113.7 | R113 Y117 L119 E120 W140 I591 | R113-F142 HydrophobicContact CG-CD2 4.21Å; R113-F142 HydrophobicContact CG-CE2 3.64Å; Y117-F142 HydrophobicContact CD2-CD1 4.18Å; Y117-F142 HydrophobicContact CD2-CD2 4.18Å; Y117-F142 AromaticContact CD2-CE1 3.77Å; Y117-F142 HydrophobicContact CD2-CE1 3.77Å; Y117-F142 AromaticContact CD2-CE2 3.74Å; Y117-F142 HydrophobicContact CD2-CE2 3.74Å; Y117-F142 HydrophobicContact CD2-CG 4.38Å; Y117-F142 AromaticContact CD2-CZ 3.54Å; Y117-F142 HydrophobicContact CD2-CZ 3.54Å; Y117-F142 HydrophobicContact CE2-CD1 4.47Å; Y117-F142 AromaticContact CE2-CE1 3.93Å; Y117-F142 HydrophobicContact CE2-CE1 3.93Å; Y117-F142 HydrophobicContact CE2-CZ 4.03Å; L119-F142 CarbonylContact C-O 3.52Å; L119-F142 VanDerWaalsContact O-O 3.06Å; E120-F142 VanDerWaalsContact CA-O 3.24Å; E120-F142 WeakPolarHBondContact CA-O 3.16Å; E120-F142 PolarHBondContact N-O 2.87Å; W140-F142 PolarHBondContact O-N 3.28Å; F142-I591 HydrophobicContact CZ-CD1 4.16Å |
| 143 | C | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -110.4 | 35.2 | -175.8 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | W140 R145 L146 | W140-C143 PolarHBondContact O-N 2.69Å; C143-R145 PolarHBondContact O-N 2.88Å; C143-L146 VanDerWaalsContact O-CB 3.3Å; C143-L146 WeakPolarHBondContact O-CB 3.29Å; C143-L146 PolarHBondContact O-N 2.88Å | ||
| 144 | M | 95.6 | Very high | 94.5 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 42% | 0.419 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -5.1 | -174.2 | -53.5 | -172.3 | -179.8 | 0 | 0 | 115 | R141 Y166 R169 | R141-M144 HydrophobicContact CG-CE 4.2Å; R141-M144 WeakPolarHBondContact O-CE 3.28Å; R141-M144 VanDerWaalsContact O-CG 3.31Å; R141-M144 WeakPolarHBondContact O-CG 3.41Å; M144-Y166 HydrophobicContact CE-CD1 3.73Å; M144-Y166 HydrophobicContact CE-CE1 4.34Å; M144-Y166 HydrophobicContact CE-CG 4.48Å; M144-R169 PolarHBondContact O-NH1 3.35Å |
| 145 | R | 97.4 | Very high | 94.8 | Very high | 131 Ų | 131 | 36 Ų | 36 | 49% | 0.494 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -1.8 | 175.9 | -72.1 | -167.1 | 173.8 | -173.7 | -2.6 | 113.9 | E120 L122 C143 T147 | E120-R145 VanDerWaalsContact O-CD 3.28Å; E120-R145 WeakPolarHBondContact O-CD 3.08Å; E120-R145 WeakPolarHBondContact O-CG 3.34Å; L122-R145 CarbonylContact O-C 3.26Å; L122-R145 VanDerWaalsContact O-C 3.23Å; C143-R145 PolarHBondContact O-N 2.88Å; R145-T147 PolarHBondContact O-N 2.84Å |
| 146 | L | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -61.5 | 126.5 | -176 | -156.9 | 73.6 | 0 | 0 | 0 | 110.6 | L122 L125 C143 L149 L167 R169 L170 | L122-L146 HydrophobicContact CD2-CD1 4Å; L122-L146 HydrophobicContact CG-CD1 3.99Å; L122-L146 WeakPolarHBondContact O-CA 3.44Å; L122-L146 PolarHBondContact O-N 3.11Å; L122-L146 VanDerWaalsContact O-N 3.14Å; L125-L146 HydrophobicContact CB-CD1 3.78Å; L125-L146 HydrophobicContact CB-CD2 4.27Å; C143-L146 VanDerWaalsContact O-CB 3.3Å; C143-L146 WeakPolarHBondContact O-CB 3.29Å; C143-L146 PolarHBondContact O-N 2.88Å; L146-L149 HydrophobicContact CD2-CB 3.82Å; L146-L149 HydrophobicContact CD2-CD1 4.07Å; L146-L149 HydrophobicContact CD2-CD2 4.32Å; L146-L149 HydrophobicContact CD2-CG 4.29Å; L146-L167 HydrophobicContact CB-CD2 3.97Å; L146-L167 HydrophobicContact CD2-CD2 4.15Å; L146-R169 CarbonylContact O-C 3.51Å; L146-L170 HydrophobicContact CB-CD1 4.38Å; L146-L170 HydrophobicContact CD2-CD1 4.16Å; L146-L170 HydrophobicContact CG-CD1 4.16Å; L146-L170 WeakPolarHBondContact O-CA 3.24Å; L146-L170 PolarHBondContact O-N 2.92Å | ||
| 147 | T | 98.8 | Very high | 95.4 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 15% | 0.153 | 18% | 0.184 | C | C | . | . | trans | -108.6 | -24.4 | 174.5 | 63.7 | 0 | 0 | 0 | 0 | 111.9 | N123 R145 Q171 N172 | N123-T147 PolarHBondContact ND2-OG1 2.83Å; N123-T147 PolarHBondContact O-N 2.82Å; N123-T147 PolarHBondContact O-OG1 2.86Å; N123-T147 WeakPolarHBondContact OD1-CB 3.24Å; N123-T147 WeakPolarHBondContact OD1-CG2 3.3Å; N123-T147 PolarHBondContact OD1-OG1 2.85Å; R145-T147 PolarHBondContact O-N 2.84Å; T147-Q171 WeakPolarHBondContact O-CA 3.41Å; T147-Q171 PolarHBondContact O-N 3.11Å; T147-N172 PolarHBondContact O-N 2.9Å | ||
| 148 | T | 98.9 | Very high | 95.9 | Very high | 32 Ų | 32 | 40.1 Ų | 40.1 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 123.5 | 179.6 | -59.9 | 0 | 0 | 0 | 0 | 111 | N123 K124 L125 N172 | N123-T148 PolarHBondContact O-N 3.46Å; N123-T148 VanDerWaalsContact O-N 3.1Å; K124-T148 WeakPolarHBondContact CA-O 3.38Å; K124-T148 HydrophobicContact CD-CG2 4.42Å; K124-T148 HydrophobicContact CG-CG2 3.99Å; L125-T148 PolarHBondContact N-O 3.09Å; T148-N172 WeakPolarHBondContact CA-O 3.32Å; T148-N172 HydrophobicContact CG2-CB 4.14Å |
| 149 | L | 98.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 120.6 | 176.2 | 179.1 | 57.3 | 0 | 0 | 0 | 109.8 | L125 L127 W140 L146 L151 F164 L167 L170 N172 L173 D174 | L125-L149 HydrophobicContact CB-CD1 4.19Å; L125-L149 HydrophobicContact CD2-CD1 4.13Å; L125-L149 HydrophobicContact CG-CD1 4.23Å; L127-L149 HydrophobicContact CD1-CD1 4.48Å; W140-L149 HydrophobicContact CH2-CD1 3.83Å; W140-L149 HydrophobicContact CH2-CD2 3.85Å; W140-L149 HydrophobicContact CZ2-CD2 3.88Å; W140-L149 HydrophobicContact CZ3-CD1 4.19Å; W140-L149 HydrophobicContact CZ3-CD2 4.42Å; L146-L149 HydrophobicContact CD2-CB 3.82Å; L146-L149 HydrophobicContact CD2-CD1 4.07Å; L146-L149 HydrophobicContact CD2-CD2 4.32Å; L146-L149 HydrophobicContact CD2-CG 4.29Å; L149-L151 HydrophobicContact CD1-CD1 4.34Å; L149-L151 HydrophobicContact CD1-CG 4.06Å; L149-L151 HydrophobicContact CD2-CD1 3.78Å; L149-L151 HydrophobicContact CD2-CG 4.36Å; L149-L151 HydrophobicContact CG-CD1 4.03Å; L149-L151 HydrophobicContact CG-CG 4.06Å; L149-F164 HydrophobicContact CD2-CD1 4.44Å; L149-F164 HydrophobicContact CD2-CE1 4.3Å; L149-L167 HydrophobicContact CD2-CD1 3.94Å; L149-L170 HydrophobicContact CB-CD1 3.79Å; L149-L170 HydrophobicContact CB-CD2 4.36Å; L149-N172 PolarHBondContact N-O 2.94Å; L149-L173 HydrophobicContact CB-CD1 4.12Å; L149-L173 HydrophobicContact CD2-CD1 4.02Å; L149-L173 HydrophobicContact CG-CD1 4.08Å; L149-L173 WeakPolarHBondContact O-CA 3.24Å; L149-D174 PolarHBondContact O-N 3.11Å |
| 150 | D | 98.9 | Very high | 96.4 | Very high | 31 Ų | 31 | 41.8 Ų | 41.8 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 108.8 | 173.2 | 176.4 | 13.4 | 0 | 0 | 0 | 109.8 | L125 V126 L127 S128 S152 | L125-D150 PolarHBondContact O-N 2.76Å; V126-D150 HydrophobicContact CG1-CB 4.13Å; L127-D150 CarbonylContact C-O 3.41Å; L127-D150 WeakPolarHBondContact CA-O 3.35Å; L127-D150 WeakPolarHBondContact CB-O 3.35Å; L127-D150 PolarHBondContact N-O 3.48Å; S128-D150 WeakPolarHBondContact CB-OD1 3.24Å; S128-D150 WeakPolarHBondContact CB-OD2 3.32Å; S128-D150 PolarHBondContact N-O 3.17Å; S128-D150 PolarHBondContact OG-OD2 3.3Å; D150-S152 WeakPolarHBondContact OD1-CB 3.43Å; D150-S152 PolarHBondContact OD1-N 3.12Å; D150-S152 PolarHBondContact OD1-OG 3.45Å |
| 151 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -112.1 | 16.3 | 174.4 | -76.5 | 166.5 | 0 | 0 | 0 | 111.3 | V111 L127 I132 W140 L149 N154 I156 F164 D174 L175 N178 | V111-L151 HydrophobicContact CG2-CD2 4.38Å; L127-L151 HydrophobicContact CB-CD2 3.94Å; L127-L151 HydrophobicContact CD1-CD2 3.88Å; I132-L151 HydrophobicContact CD1-CD2 4.06Å; W140-L151 HydrophobicContact CZ2-CD1 4.28Å; L149-L151 HydrophobicContact CD1-CD1 4.34Å; L149-L151 HydrophobicContact CD1-CG 4.06Å; L149-L151 HydrophobicContact CD2-CD1 3.78Å; L149-L151 HydrophobicContact CD2-CG 4.36Å; L149-L151 HydrophobicContact CG-CD1 4.03Å; L149-L151 HydrophobicContact CG-CG 4.06Å; L151-N154 PolarHBondContact O-ND2 3.48Å; L151-I156 HydrophobicContact CB-CD1 4.27Å; L151-I156 HydrophobicContact CD1-CD1 4.31Å; L151-F164 HydrophobicContact CD1-CE1 4.05Å; L151-D174 CarbonylContact C-O 3.56Å; L151-D174 WeakPolarHBondContact CA-O 2.98Å; L151-D174 PolarHBondContact N-O 3.22Å; L151-L175 HydrophobicContact CB-CD2 3.89Å; L151-L175 HydrophobicContact CD1-CD2 4.09Å; L151-N178 PolarHBondContact O-ND2 3.4Å | ||
| 152 | S | 98.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | trans | -62.6 | 155.6 | -178.5 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | S128 N129 D150 N154 D174 S176 | S128-S152 CarbonylContact C-O 3.6Å; S128-S152 WeakPolarHBondContact CA-O 3.49Å; S128-S152 VanDerWaalsContact CB-O 3.3Å; S128-S152 WeakPolarHBondContact CB-O 3.49Å; S128-S152 WeakPolarHBondContact CB-OG 3.48Å; N129-S152 PolarHBondContact N-O 3.36Å; D150-S152 WeakPolarHBondContact OD1-CB 3.43Å; D150-S152 PolarHBondContact OD1-N 3.12Å; D150-S152 PolarHBondContact OD1-OG 3.45Å; S152-N154 PolarHBondContact O-N 2.93Å; S152-N154 PolarHBondContact O-ND2 2.79Å; S152-D174 WeakPolarHBondContact CB-OD1 3.32Å; S152-D174 PolarHBondContact N-O 3.29Å; S152-S176 CarbonylContact C-O 3.48Å; S152-S176 WeakPolarHBondContact CA-O 3.27Å; S152-S176 WeakPolarHBondContact CB-O 3.44Å; S152-S176 WeakPolarHBondContact CB-OG 3.42Å | ||
| 153 | K | 98.8 | Very high | 96.2 | Very high | 119 Ų | 119 | 45.2 Ų | 45.2 | 52% | 0.517 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 56.8 | 50.9 | 177.4 | -58.1 | 175.5 | -177.2 | 177.2 | 0 | 112 | N129 N130 S176 S177 | N129-K153 WeakPolarHBondContact CA-O 3.45Å; N129-K153 HydrophobicContact CB-CB 4.18Å; N129-K153 PolarHBondContact N-O 3.16Å; N130-K153 PolarHBondContact N-O 2.91Å; K153-S176 PolarHBondContact N-O 2.76Å; K153-S177 WeakPolarHBondContact CA-O 3.44Å; K153-S177 PolarHBondContact N-O 3.02Å |
| 154 | N | 98.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -123.1 | -165.8 | 173.9 | -83.8 | -72.2 | 0 | 0 | 0 | 109.5 | L127 N130 A131 I132 L151 S152 I156 S177 N178 | L127-N154 PolarHBondContact O-ND2 2.92Å; L127-N154 VanDerWaalsContact O-ND2 3.13Å; N130-N154 WeakPolarHBondContact CA-OD1 3.38Å; N130-N154 WeakPolarHBondContact CB-OD1 3.47Å; N130-N154 PolarHBondContact N-OD1 2.78Å; N130-N154 PolarHBondContact O-OD1 2.79Å; A131-N154 PolarHBondContact N-OD1 2.03Å; I132-N154 HydrophobicContact CB-CB 4.14Å; I132-N154 VanDerWaalsContact CB-OD1 3.3Å; I132-N154 WeakPolarHBondContact CB-OD1 3.28Å; I132-N154 WeakPolarHBondContact CG1-OD1 3.44Å; I132-N154 PolarHBondContact N-OD1 3.17Å; L151-N154 PolarHBondContact O-ND2 3.48Å; S152-N154 PolarHBondContact O-N 2.93Å; S152-N154 PolarHBondContact O-ND2 2.79Å; N154-I156 HydrophobicContact CB-CG1 4.43Å; N154-S177 PolarHBondContact N-O 3.12Å; N154-N178 VanDerWaalsContact CA-OD1 3.3Å; N154-N178 WeakPolarHBondContact CA-OD1 3.37Å; N154-N178 WeakPolarHBondContact CB-OD1 3.32Å; N154-N178 PolarHBondContact N-OD1 2.97Å; N154-N178 PolarHBondContact O-OD1 2.99Å |
| 155 | A | 98.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | trans | -117.6 | 25.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I132 E133 R157 N178 | I132-A155 CarbonylContact O-C 3.53Å; I132-A155 VanDerWaalsContact O-C 3.26Å; I132-A155 WeakPolarHBondContact O-CA 3.5Å; I132-A155 PolarHBondContact O-N 3.33Å; E133-A155 HydrophobicContact CG-CB 3.65Å; A155-R157 PolarHBondContact O-N 2.79Å; A155-N178 PolarHBondContact N-OD1 2.77Å | ||
| 156 | I | 97.7 | Very high | 96 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | trans | -65.9 | 128.6 | -179.5 | -58.2 | 173.4 | 0 | 0 | 0 | 109.2 | I132 L151 N154 S158 I159 L175 N178 S179 I180 | I132-I156 HydrophobicContact CG2-CG1 4.42Å; I132-I156 WeakPolarHBondContact O-CG1 3.29Å; I132-I156 PolarHBondContact O-N 3.46Å; L151-I156 HydrophobicContact CB-CD1 4.27Å; L151-I156 HydrophobicContact CD1-CD1 4.31Å; N154-I156 HydrophobicContact CB-CG1 4.43Å; I156-S158 WeakPolarHBondContact CG2-O 3.3Å; I156-I159 HydrophobicContact CG2-CG1 4.39Å; I156-L175 HydrophobicContact CD1-CD2 4.2Å; I156-N178 HydrophobicContact CB-CB 4.34Å; I156-N178 WeakPolarHBondContact CB-OD1 3.5Å; I156-N178 WeakPolarHBondContact CG1-OD1 3.28Å; I156-N178 PolarHBondContact N-OD1 2.97Å; I156-S179 CarbonylContact O-C 3.48Å; I156-S179 VanDerWaalsContact O-CA 3.31Å; I156-S179 WeakPolarHBondContact O-CA 3.44Å; I156-S179 PolarHBondContact O-N 3Å; I156-I180 HydrophobicContact CB-CG1 4.41Å; I156-I180 HydrophobicContact CG2-CG1 4.1Å; I156-I180 PolarHBondContact O-N 3.02Å; I156-I180 VanDerWaalsContact O-N 3.14Å | ||
| 157 | R | 95.5 | Very high | 95.9 | Very high | 152 Ų | 152 | 39.8 Ų | 39.8 | 57% | 0.574 | 20% | 0.202 | S | C | * | . | trans | -106.6 | -27.4 | -177.4 | -57 | -177.3 | -166.7 | 178.5 | 7.9 | 114 | E133 A155 S179 I180 S181 Q182 | E133-R157 IonicContact OE1-NH2 3.31Å; E133-R157 PolarHBondContact OE1-NH2 3.35Å; E133-R157 VanDerWaalsContact OE1-NH2 3.1Å; A155-R157 PolarHBondContact O-N 2.79Å; R157-S179 WeakPolarHBondContact CA-O 3.22Å; R157-I180 WeakPolarHBondContact O-CA 3.41Å; R157-S181 PolarHBondContact O-N 3.1Å; R157-Q182 PolarHBondContact O-N 2.99Å | ||
| 158 | S | 92.5 | Very high | 95.7 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 44% | 0.441 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 153.3 | -176.8 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | I156 Q182 | I156-S158 WeakPolarHBondContact CG2-O 3.3Å; S158-Q182 VanDerWaalsContact CA-O 3.24Å; S158-Q182 WeakPolarHBondContact CA-O 3.39Å |
| 159 | I | 93.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 116.6 | 173.9 | -57.9 | 171.8 | 0 | 0 | 0 | 107.5 | I156 T163 F164 L175 I180 Q182 M183 H184 A187 | I156-I159 HydrophobicContact CG2-CG1 4.39Å; I159-T163 HydrophobicContact CG2-CG2 3.91Å; I159-F164 HydrophobicContact CD1-CE2 4.12Å; I159-F164 HydrophobicContact CD1-CZ 4.41Å; I159-F164 HydrophobicContact CG2-CD2 4Å; I159-F164 HydrophobicContact CG2-CE2 3.51Å; I159-F164 HydrophobicContact CG2-CZ 4.37Å; I159-L175 HydrophobicContact CD1-CD1 3.74Å; I159-I180 HydrophobicContact CD1-CD1 3.64Å; I159-I180 HydrophobicContact CD1-CG1 4.3Å; I159-I180 HydrophobicContact CD1-CG2 4.29Å; I159-I180 HydrophobicContact CG1-CD1 4.34Å; I159-I180 HydrophobicContact CG1-CG2 4.43Å; I159-Q182 PolarHBondContact N-O 3.16Å; I159-M183 HydrophobicContact CB-CG 4.3Å; I159-M183 HydrophobicContact CD1-CE 3.96Å; I159-M183 CarbonylContact O-C 3.58Å; I159-M183 WeakPolarHBondContact O-CA 3.23Å; I159-H184 PolarHBondContact O-N 3.4Å; I159-A187 HydrophobicContact CB-CB 4.44Å; I159-A187 HydrophobicContact CG2-CB 3.72Å |
| 160 | D | 90.4 | Very high | 95.7 | Very high | 74 Ų | 74 | 49.8 Ų | 49.8 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | trans | -93.1 | -178.2 | 178.4 | 67.7 | 28.6 | 0 | 0 | 0 | 112.2 | K162 T163 A187 | D160-K162 PolarHBondContact O-N 3.42Å; D160-K162 WeakPolarHBondContact OD1-CA 3.41Å; D160-K162 PolarHBondContact OD1-N 3.11Å; D160-T163 VanDerWaalsContact CG-OG1 3.24Å; D160-T163 PolarHBondContact N-OG1 3.19Å; D160-T163 PolarHBondContact OD1-N 2.75Å; D160-T163 PolarHBondContact OD1-OG1 3.33Å; D160-A187 WeakPolarHBondContact O-CA 3.3Å; D160-A187 VanDerWaalsContact O-CB 3.27Å; D160-A187 WeakPolarHBondContact O-CB 3.21Å | ||
| 161 | S | 89.5 | Confident | 95.7 | Very high | 44 Ų | 44 | 51.4 Ų | 51.4 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -66.8 | -17.3 | 179.2 | 54.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 162 | K | 91.1 | Very high | 95.7 | Very high | 121 Ų | 121 | 54.4 Ų | 54.4 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -106.4 | -15.2 | -175.1 | -63.6 | -177.3 | -177.5 | 177.5 | 0 | 113.2 | D160 F164 S165 | D160-K162 PolarHBondContact O-N 3.42Å; D160-K162 WeakPolarHBondContact OD1-CA 3.41Å; D160-K162 PolarHBondContact OD1-N 3.11Å; K162-F164 PolarHBondContact O-N 3.31Å; K162-S165 WeakPolarHBondContact CA-OG 3.46Å; K162-S165 VanDerWaalsContact O-CB 3.27Å; K162-S165 WeakPolarHBondContact O-CB 3.48Å; K162-S165 PolarHBondContact O-N 3.42Å; K162-S165 PolarHBondContact O-OG 3.01Å |
| 163 | T | 94 | Very high | 95.7 | Very high | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -37.4 | -173.1 | -63 | 0 | 0 | 0 | 0 | 113.1 | V135 W140 I159 D160 | V135-T163 HydrophobicContact CB-CG2 4.18Å; V135-T163 HydrophobicContact CG1-CG2 4.28Å; W140-T163 PolarHBondContact NE1-O 2.81Å; I159-T163 HydrophobicContact CG2-CG2 3.91Å; D160-T163 VanDerWaalsContact CG-OG1 3.24Å; D160-T163 PolarHBondContact N-OG1 3.19Å; D160-T163 PolarHBondContact OD1-N 2.75Å; D160-T163 PolarHBondContact OD1-OG1 3.33Å |
| 164 | F | 95.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | 22.8 | 177.2 | -54.8 | -62 | 0 | 0 | 0 | 113.4 | L149 L151 I159 K162 L167 L173 L175 L188 V190 L191 | L149-F164 HydrophobicContact CD2-CD1 4.44Å; L149-F164 HydrophobicContact CD2-CE1 4.3Å; L151-F164 HydrophobicContact CD1-CE1 4.05Å; I159-F164 HydrophobicContact CD1-CE2 4.12Å; I159-F164 HydrophobicContact CD1-CZ 4.41Å; I159-F164 HydrophobicContact CG2-CD2 4Å; I159-F164 HydrophobicContact CG2-CE2 3.51Å; I159-F164 HydrophobicContact CG2-CZ 4.37Å; K162-F164 PolarHBondContact O-N 3.31Å; F164-L167 HydrophobicContact CB-CD1 4.26Å; F164-L167 HydrophobicContact CD1-CD1 4.06Å; F164-L167 WeakPolarHBondContact O-CB 3.48Å; F164-L167 PolarHBondContact O-N 3.01Å; F164-L173 HydrophobicContact CD2-CD2 4.43Å; F164-L173 HydrophobicContact CE1-CD1 4.29Å; F164-L173 HydrophobicContact CE1-CD2 4.4Å; F164-L173 HydrophobicContact CE2-CD2 4.09Å; F164-L173 HydrophobicContact CZ-CD1 4.45Å; F164-L173 HydrophobicContact CZ-CD2 4.09Å; F164-L175 HydrophobicContact CE2-CD1 4.11Å; F164-L175 HydrophobicContact CZ-CD1 3.84Å; F164-L175 HydrophobicContact CZ-CD2 3.96Å; F164-L175 HydrophobicContact CZ-CG 4.42Å; F164-L188 HydrophobicContact CD2-CD2 3.96Å; F164-L188 HydrophobicContact CE2-CD2 3.97Å; F164-V190 HydrophobicContact CB-CG2 4.33Å; F164-L191 HydrophobicContact CB-CD1 4.22Å; F164-L191 HydrophobicContact CB-CD2 4.06Å; F164-L191 HydrophobicContact CB-CG 4.41Å; F164-L191 HydrophobicContact CD2-CD1 4.31Å; F164-L191 HydrophobicContact CG-CD1 4.39Å |
| 165 | S | 93.5 | Very high | 95.7 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 150.8 | 170 | -73.5 | 0 | 0 | 0 | 0 | 110.3 | K162 L167 | K162-S165 WeakPolarHBondContact CA-OG 3.46Å; K162-S165 VanDerWaalsContact O-CB 3.27Å; K162-S165 WeakPolarHBondContact O-CB 3.48Å; K162-S165 PolarHBondContact O-N 3.42Å; K162-S165 PolarHBondContact O-OG 3.01Å; S165-L167 PolarHBondContact O-N 3.2Å |
| 166 | Y | 94.8 | Very high | 95.7 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 28% | 0.282 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -9.3 | -176.3 | -48.1 | -77 | 0 | 0 | 0 | 116.6 | E138 R141 M144 E168 | E138-Y166 PolarHBondContact OE1-OH 3.48Å; E138-Y166 VanDerWaalsContact OE1-OH 3.05Å; E138-Y166 PolarHBondContact OE2-OH 3.47Å; E138-Y166 VanDerWaalsContact OE2-OH 3.04Å; R141-Y166 HydrophobicContact CB-CD2 4.28Å; R141-Y166 HydrophobicContact CB-CE2 4.34Å; M144-Y166 HydrophobicContact CE-CD1 3.73Å; M144-Y166 HydrophobicContact CE-CE1 4.34Å; M144-Y166 HydrophobicContact CE-CG 4.48Å; Y166-E168 VanDerWaalsContact C-N 3.34Å; Y166-E168 PolarHBondContact O-N 3.34Å |
| 167 | L | 96.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | trans | -92.7 | 39.1 | -177 | -61.8 | -176.1 | 0 | 0 | 0 | 114 | W140 L146 L149 F164 S165 R169 L170 L191 | W140-L167 HydrophobicContact CB-CD1 4.36Å; W140-L167 HydrophobicContact CB-CD2 3.74Å; W140-L167 HydrophobicContact CB-CG 3.88Å; W140-L167 HydrophobicContact CD2-CD1 3.98Å; W140-L167 HydrophobicContact CD2-CD2 4.44Å; W140-L167 HydrophobicContact CD2-CG 4.45Å; W140-L167 HydrophobicContact CG-CD1 3.84Å; W140-L167 HydrophobicContact CG-CD2 4.07Å; W140-L167 HydrophobicContact CG-CG 3.9Å; L146-L167 HydrophobicContact CB-CD2 3.97Å; L146-L167 HydrophobicContact CD2-CD2 4.15Å; L149-L167 HydrophobicContact CD2-CD1 3.94Å; F164-L167 HydrophobicContact CB-CD1 4.26Å; F164-L167 HydrophobicContact CD1-CD1 4.06Å; F164-L167 WeakPolarHBondContact O-CB 3.48Å; F164-L167 PolarHBondContact O-N 3.01Å; S165-L167 PolarHBondContact O-N 3.2Å; L167-R169 PolarHBondContact O-N 3.08Å; L167-L170 HydrophobicContact CB-CB 4.2Å; L167-L170 HydrophobicContact CD1-CD2 4.26Å; L167-L170 VanDerWaalsContact O-CB 3.23Å; L167-L170 WeakPolarHBondContact O-CB 3.29Å; L167-L170 PolarHBondContact O-N 2.8Å; L167-L191 HydrophobicContact CB-CD2 3.86Å; L167-L191 VanDerWaalsContact O-CD2 3.3Å; L167-L191 WeakPolarHBondContact O-CD2 3.47Å | ||
| 168 | E | 95.8 | Very high | 95.9 | Very high | 130 Ų | 130 | 43.7 Ų | 43.7 | 61% | 0.607 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.5 | -175.1 | -65.5 | 174.9 | -160.7 | 0 | 0 | 114.2 | Y166 N193 | Y166-E168 VanDerWaalsContact C-N 3.34Å; Y166-E168 PolarHBondContact O-N 3.34Å; E168-N193 PolarHBondContact O-ND2 3.35Å |
| 169 | R | 98 | Very high | 96.1 | Very high | 140 Ų | 140 | 42.7 Ų | 42.7 | 53% | 0.528 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -4.3 | 178.7 | -69.9 | -168.3 | 172.1 | 87.7 | 4 | 114.2 | M144 L146 L167 Q171 | M144-R169 PolarHBondContact O-NH1 3.35Å; L146-R169 CarbonylContact O-C 3.51Å; L167-R169 PolarHBondContact O-N 3.08Å; R169-Q171 WeakPolarHBondContact O-CG 3.5Å; R169-Q171 PolarHBondContact O-N 2.96Å |
| 170 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -62.8 | 131.8 | -174.5 | -159.8 | 71.8 | 0 | 0 | 0 | 110.7 | L146 L149 L167 L173 L191 N193 L194 | L146-L170 HydrophobicContact CB-CD1 4.38Å; L146-L170 HydrophobicContact CD2-CD1 4.16Å; L146-L170 HydrophobicContact CG-CD1 4.16Å; L146-L170 WeakPolarHBondContact O-CA 3.24Å; L146-L170 PolarHBondContact O-N 2.92Å; L149-L170 HydrophobicContact CB-CD1 3.79Å; L149-L170 HydrophobicContact CB-CD2 4.36Å; L167-L170 HydrophobicContact CB-CB 4.2Å; L167-L170 HydrophobicContact CD1-CD2 4.26Å; L167-L170 VanDerWaalsContact O-CB 3.23Å; L167-L170 WeakPolarHBondContact O-CB 3.29Å; L167-L170 PolarHBondContact O-N 2.8Å; L170-L173 HydrophobicContact CD2-CB 3.94Å; L170-L173 HydrophobicContact CD2-CD1 4.19Å; L170-L173 HydrophobicContact CD2-CD2 4.19Å; L170-L173 HydrophobicContact CD2-CG 4.34Å; L170-L191 HydrophobicContact CB-CD2 4.18Å; L170-L191 HydrophobicContact CD2-CD1 4.32Å; L170-L191 HydrophobicContact CD2-CD2 4.27Å; L170-N193 CarbonylContact O-C 3.54Å; L170-L194 HydrophobicContact CB-CD1 4.38Å; L170-L194 HydrophobicContact CD2-CD1 4.11Å; L170-L194 HydrophobicContact CG-CD1 4.08Å; L170-L194 WeakPolarHBondContact O-CA 3.34Å; L170-L194 PolarHBondContact O-N 3.4Å | ||
| 171 | Q | 98.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | trans | -115.1 | -35.4 | -179.6 | -60.9 | -175.1 | 31.9 | 0 | 0 | 111.5 | T147 R169 K195 Y196 | T147-Q171 WeakPolarHBondContact O-CA 3.41Å; T147-Q171 PolarHBondContact O-N 3.11Å; R169-Q171 WeakPolarHBondContact O-CG 3.5Å; R169-Q171 PolarHBondContact O-N 2.96Å; Q171-K195 HydrophobicContact CB-CD 4.46Å; Q171-K195 PolarHBondContact O-N 3.21Å; Q171-Y196 PolarHBondContact O-N 3.17Å | ||
| 172 | N | 98.9 | Very high | 96.2 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 34% | 0.342 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119 | -177.1 | -60.6 | -11.1 | 0 | 0 | 0 | 109.5 | T147 T148 L149 | T147-N172 PolarHBondContact O-N 2.9Å; T148-N172 WeakPolarHBondContact CA-O 3.32Å; T148-N172 HydrophobicContact CG2-CB 4.14Å; L149-N172 PolarHBondContact N-O 2.94Å |
| 173 | L | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.8 | 176.4 | 179.3 | 55.9 | 0 | 0 | 0 | 109.7 | L149 F164 L170 L175 L188 L191 L194 Y196 L197 D198 | L149-L173 HydrophobicContact CB-CD1 4.12Å; L149-L173 HydrophobicContact CD2-CD1 4.02Å; L149-L173 HydrophobicContact CG-CD1 4.08Å; L149-L173 WeakPolarHBondContact O-CA 3.24Å; F164-L173 HydrophobicContact CD2-CD2 4.43Å; F164-L173 HydrophobicContact CE1-CD1 4.29Å; F164-L173 HydrophobicContact CE1-CD2 4.4Å; F164-L173 HydrophobicContact CE2-CD2 4.09Å; F164-L173 HydrophobicContact CZ-CD1 4.45Å; F164-L173 HydrophobicContact CZ-CD2 4.09Å; L170-L173 HydrophobicContact CD2-CB 3.94Å; L170-L173 HydrophobicContact CD2-CD1 4.19Å; L170-L173 HydrophobicContact CD2-CD2 4.19Å; L170-L173 HydrophobicContact CD2-CG 4.34Å; L173-L175 HydrophobicContact CD1-CD1 4.27Å; L173-L175 HydrophobicContact CD1-CD2 4.46Å; L173-L175 HydrophobicContact CD1-CG 4Å; L173-L175 HydrophobicContact CD2-CD1 3.78Å; L173-L175 HydrophobicContact CD2-CG 4.4Å; L173-L175 HydrophobicContact CG-CD1 3.9Å; L173-L175 HydrophobicContact CG-CG 4Å; L173-L188 HydrophobicContact CD2-CD2 4.39Å; L173-L191 HydrophobicContact CD2-CD1 3.93Å; L173-L194 HydrophobicContact CB-CD1 3.73Å; L173-L194 HydrophobicContact CB-CD2 4.35Å; L173-Y196 PolarHBondContact N-O 3.13Å; L173-L197 HydrophobicContact CB-CD1 4.16Å; L173-L197 HydrophobicContact CD2-CD1 4.07Å; L173-L197 HydrophobicContact CG-CD1 4.07Å; L173-L197 WeakPolarHBondContact O-CA 3.31Å; L173-D198 PolarHBondContact O-N 3.1Å |
| 174 | D | 98.9 | Very high | 95.7 | Very high | 35 Ų | 35 | 40.9 Ų | 40.9 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117 | 172.1 | -164.9 | -22.4 | 0 | 0 | 0 | 109.7 | L149 L151 S152 S176 | L149-D174 PolarHBondContact O-N 3.11Å; L151-D174 CarbonylContact C-O 3.56Å; L151-D174 WeakPolarHBondContact CA-O 2.98Å; L151-D174 PolarHBondContact N-O 3.22Å; S152-D174 WeakPolarHBondContact CB-OD1 3.32Å; S152-D174 PolarHBondContact N-O 3.29Å; D174-S176 WeakPolarHBondContact OD1-CB 3.48Å; D174-S176 PolarHBondContact OD1-N 3.12Å; D174-S176 PolarHBondContact OD1-OG 3.2Å |
| 175 | L | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -120.5 | 14.1 | 176.9 | -72.8 | 163.7 | 0 | 0 | 0 | 110.9 | L151 I156 I159 F164 L173 N178 I180 L197 D198 L199 N202 | L151-L175 HydrophobicContact CB-CD2 3.89Å; L151-L175 HydrophobicContact CD1-CD2 4.09Å; I156-L175 HydrophobicContact CD1-CD2 4.2Å; I159-L175 HydrophobicContact CD1-CD1 3.74Å; F164-L175 HydrophobicContact CE2-CD1 4.11Å; F164-L175 HydrophobicContact CZ-CD1 3.84Å; F164-L175 HydrophobicContact CZ-CD2 3.96Å; F164-L175 HydrophobicContact CZ-CG 4.42Å; L173-L175 HydrophobicContact CD1-CD1 4.27Å; L173-L175 HydrophobicContact CD1-CD2 4.46Å; L173-L175 HydrophobicContact CD1-CG 4Å; L173-L175 HydrophobicContact CD2-CD1 3.78Å; L173-L175 HydrophobicContact CD2-CG 4.4Å; L173-L175 HydrophobicContact CG-CD1 3.9Å; L173-L175 HydrophobicContact CG-CG 4Å; L175-N178 PolarHBondContact O-ND2 3.44Å; L175-I180 HydrophobicContact CB-CD1 4.08Å; L175-L197 HydrophobicContact CD1-CD1 4.47Å; L175-D198 CarbonylContact C-O 3.55Å; L175-D198 WeakPolarHBondContact CA-O 3.37Å; L175-D198 PolarHBondContact N-O 3.03Å; L175-L199 HydrophobicContact CB-CD2 3.95Å; L175-L199 HydrophobicContact CD1-CD2 3.95Å; L175-N202 PolarHBondContact O-ND2 3.14Å | ||
| 176 | S | 98.8 | Very high | 94.9 | Very high | 14 Ų | 14 | 48.7 Ų | 48.7 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | trans | -64.6 | 154.6 | -175.4 | 66.1 | 0 | 0 | 0 | 0 | 112.2 | S152 K153 D174 N178 D198 S200 | S152-S176 CarbonylContact C-O 3.48Å; S152-S176 WeakPolarHBondContact CA-O 3.27Å; S152-S176 WeakPolarHBondContact CB-O 3.44Å; S152-S176 WeakPolarHBondContact CB-OG 3.42Å; K153-S176 PolarHBondContact N-O 2.76Å; D174-S176 WeakPolarHBondContact OD1-CB 3.48Å; D174-S176 PolarHBondContact OD1-N 3.12Å; D174-S176 PolarHBondContact OD1-OG 3.2Å; S176-N178 PolarHBondContact O-N 3.15Å; S176-N178 PolarHBondContact O-ND2 2.8Å; S176-D198 PolarHBondContact N-O 3.23Å; S176-S200 CarbonylContact C-O 3.17Å; S176-S200 WeakPolarHBondContact CA-O 3.34Å; S176-S200 WeakPolarHBondContact CB-O 3.37Å | ||
| 177 | S | 98.7 | Very high | 94.7 | Very high | 43 Ų | 43 | 45.3 Ų | 45.3 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 56.8 | 47.4 | 178.8 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | K153 N154 S200 H201 | K153-S177 WeakPolarHBondContact CA-O 3.44Å; K153-S177 PolarHBondContact N-O 3.02Å; N154-S177 PolarHBondContact N-O 3.12Å; S177-S200 PolarHBondContact N-O 3.33Å; S177-H201 VanDerWaalsContact CA-O 3.27Å; S177-H201 WeakPolarHBondContact CA-O 3.46Å; S177-H201 PolarHBondContact N-O 3.02Å |
| 178 | N | 98.5 | Very high | 94.6 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 6% | 0.059 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -112.1 | -164.7 | 170.3 | -86.3 | -81.9 | 0 | 0 | 0 | 109.2 | L151 N154 A155 I156 L175 S176 I180 H201 N202 | L151-N178 PolarHBondContact O-ND2 3.4Å; N154-N178 VanDerWaalsContact CA-OD1 3.3Å; N154-N178 WeakPolarHBondContact CA-OD1 3.37Å; N154-N178 WeakPolarHBondContact CB-OD1 3.32Å; N154-N178 PolarHBondContact N-OD1 2.97Å; N154-N178 PolarHBondContact O-OD1 2.99Å; A155-N178 PolarHBondContact N-OD1 2.77Å; I156-N178 HydrophobicContact CB-CB 4.34Å; I156-N178 WeakPolarHBondContact CB-OD1 3.5Å; I156-N178 WeakPolarHBondContact CG1-OD1 3.28Å; I156-N178 PolarHBondContact N-OD1 2.97Å; L175-N178 PolarHBondContact O-ND2 3.44Å; S176-N178 PolarHBondContact O-N 3.15Å; S176-N178 PolarHBondContact O-ND2 2.8Å; N178-I180 HydrophobicContact CB-CD1 4.11Å; N178-I180 HydrophobicContact CB-CG1 4Å; N178-H201 PolarHBondContact N-O 3.49Å; N178-N202 VanDerWaalsContact CA-OD1 3.29Å; N178-N202 WeakPolarHBondContact CA-OD1 3.01Å; N178-N202 WeakPolarHBondContact CB-OD1 3.48Å; N178-N202 PolarHBondContact N-OD1 2.81Å; N178-N202 PolarHBondContact O-OD1 2.93Å |
| 179 | S | 96.8 | Very high | 94.4 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | trans | -116.1 | 30 | 175.4 | -71.2 | 0 | 0 | 0 | 0 | 112 | I156 R157 S181 N202 | I156-S179 CarbonylContact O-C 3.48Å; I156-S179 VanDerWaalsContact O-CA 3.31Å; I156-S179 WeakPolarHBondContact O-CA 3.44Å; I156-S179 PolarHBondContact O-N 3Å; R157-S179 WeakPolarHBondContact CA-O 3.22Å; S179-S181 PolarHBondContact O-N 3.32Å; S179-N202 PolarHBondContact N-OD1 3.34Å | ||
| 180 | I | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -66.9 | 110.6 | -172 | -58.1 | 160.9 | 0 | 0 | 0 | 109.5 | I156 R157 I159 L175 N178 L199 N202 K203 L204 | I156-I180 HydrophobicContact CB-CG1 4.41Å; I156-I180 HydrophobicContact CG2-CG1 4.1Å; I156-I180 PolarHBondContact O-N 3.02Å; I156-I180 VanDerWaalsContact O-N 3.14Å; R157-I180 WeakPolarHBondContact O-CA 3.41Å; I159-I180 HydrophobicContact CD1-CD1 3.64Å; I159-I180 HydrophobicContact CD1-CG1 4.3Å; I159-I180 HydrophobicContact CD1-CG2 4.29Å; I159-I180 HydrophobicContact CG1-CD1 4.34Å; I159-I180 HydrophobicContact CG1-CG2 4.43Å; L175-I180 HydrophobicContact CB-CD1 4.08Å; N178-I180 HydrophobicContact CB-CD1 4.11Å; N178-I180 HydrophobicContact CB-CG1 4Å; I180-L199 HydrophobicContact CD1-CD2 4.28Å; I180-N202 HydrophobicContact CB-CB 4.16Å; I180-N202 WeakPolarHBondContact CB-OD1 3.47Å; I180-N202 WeakPolarHBondContact CD1-OD1 3.12Å; I180-N202 VanDerWaalsContact CG1-OD1 3.32Å; I180-N202 WeakPolarHBondContact CG1-OD1 3.29Å; I180-N202 PolarHBondContact N-OD1 3.11Å; I180-K203 CarbonylContact O-C 3.55Å; I180-K203 VanDerWaalsContact O-C 3.23Å; I180-K203 VanDerWaalsContact O-CA 3.3Å; I180-K203 WeakPolarHBondContact O-CA 3.25Å; I180-K203 WeakPolarHBondContact O-CB 3.09Å; I180-K203 PolarHBondContact O-N 2.97Å; I180-L204 HydrophobicContact CB-CD2 4.3Å; I180-L204 HydrophobicContact CG2-CD2 3.73Å | ||
| 181 | S | 91.2 | Very high | 94.1 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 30% | 0.301 | 20% | 0.196 | S | C | . | . | trans | -114.9 | -9.1 | 174.7 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | R157 S179 K203 V207 | R157-S181 PolarHBondContact O-N 3.1Å; S179-S181 PolarHBondContact O-N 3.32Å; S181-K203 WeakPolarHBondContact CA-O 3.3Å; S181-V207 WeakPolarHBondContact O-CG2 3.36Å | ||
| 182 | Q | 87.4 | Confident | 93.9 | Very high | 70 Ų | 70 | 36.2 Ų | 36.2 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.5 | -179.5 | -66.1 | 179.5 | 0.3 | 0 | 0 | 110.1 | R157 S158 I159 | R157-Q182 PolarHBondContact O-N 2.99Å; S158-Q182 VanDerWaalsContact CA-O 3.24Å; S158-Q182 WeakPolarHBondContact CA-O 3.39Å; I159-Q182 PolarHBondContact N-O 3.16Å |
| 183 | M | 90.4 | Very high | 93.9 | Very high | 11 Ų | 11 | 37 Ų | 37 | 5% | 0.054 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 125.5 | 175.5 | -173.2 | -178.9 | -67.4 | 0 | 0 | 108.2 | I159 A187 L188 L199 L204 V207 Q212 V214 | I159-M183 HydrophobicContact CB-CG 4.3Å; I159-M183 HydrophobicContact CD1-CE 3.96Å; I159-M183 CarbonylContact O-C 3.58Å; I159-M183 WeakPolarHBondContact O-CA 3.23Å; M183-A187 HydrophobicContact CG-CB 3.86Å; M183-L188 HydrophobicContact CE-CD1 4.26Å; M183-L188 HydrophobicContact SD-CD1 3.77Å; M183-L188 HydrophobicContact SD-CG 4.13Å; M183-L199 HydrophobicContact CE-CD1 4.13Å; M183-L199 HydrophobicContact CE-CD2 3.96Å; M183-L204 HydrophobicContact CE-CD2 4.37Å; M183-V207 HydrophobicContact CB-CG1 4Å; M183-V207 HydrophobicContact CB-CG2 4.25Å; M183-Q212 PolarHBondContact O-OE1 3.31Å; M183-V214 HydrophobicContact SD-CB 4.07Å; M183-V214 HydrophobicContact SD-CG2 4.49Å |
| 184 | H | 85.9 | Confident | 93.8 | Very high | 90 Ų | 90 | 37 Ų | 37 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | trans | -68.8 | 142 | 175.6 | -174.9 | -82.6 | 0 | 0 | 0 | 110 | I159 K186 A187 | I159-H184 PolarHBondContact O-N 3.4Å; H184-K186 PolarHBondContact ND1-N 3.48Å; H184-K186 VanDerWaalsContact ND1-N 3.14Å; H184-K186 PolarHBondContact O-N 3.29Å; H184-K186 VanDerWaalsContact O-N 3.09Å; H184-A187 HydrophobicContact CB-CB 4.28Å; H184-A187 WeakPolarHBondContact O-CB 3.38Å; H184-A187 PolarHBondContact O-N 3.48Å | ||
| 185 | Q | 83.5 | Confident | 93.8 | Very high | 60 Ų | 60 | 39.4 Ų | 39.4 | 28% | 0.28 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -37.7 | -176.5 | -174.9 | -178.7 | 11 | 0 | 0 | 113.9 | Q212 | Q185-Q212 HydrophobicContact CB-CB 4.43Å; Q185-Q212 HydrophobicContact CB-CG 4.46Å; Q185-Q212 HydrophobicContact CG-CB 4.41Å |
| 186 | K | 87.9 | Confident | 93.8 | Very high | 133 Ų | 133 | 42.3 Ų | 42.3 | 58% | 0.578 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 1.2 | 178.5 | -62.5 | -176.4 | -178.9 | 177.9 | 0 | 114.8 | H184 L188 S189 | H184-K186 PolarHBondContact ND1-N 3.48Å; H184-K186 VanDerWaalsContact ND1-N 3.14Å; H184-K186 PolarHBondContact O-N 3.29Å; H184-K186 VanDerWaalsContact O-N 3.09Å; K186-L188 VanDerWaalsContact C-N 3.31Å; K186-L188 PolarHBondContact O-N 2.87Å; K186-S189 WeakPolarHBondContact CA-OG 3.18Å; K186-S189 PolarHBondContact O-N 3.47Å; K186-S189 PolarHBondContact O-OG 2.89Å |
| 187 | A | 90.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -42.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I159 D160 M183 H184 | I159-A187 HydrophobicContact CB-CB 4.44Å; I159-A187 HydrophobicContact CG2-CB 3.72Å; D160-A187 WeakPolarHBondContact O-CA 3.3Å; D160-A187 VanDerWaalsContact O-CB 3.27Å; D160-A187 WeakPolarHBondContact O-CB 3.21Å; M183-A187 HydrophobicContact CG-CB 3.86Å; H184-A187 HydrophobicContact CB-CB 4.28Å; H184-A187 WeakPolarHBondContact O-CB 3.38Å; H184-A187 PolarHBondContact O-N 3.48Å |
| 188 | L | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -7.9 | -178.8 | -58.4 | 177.1 | 0 | 0 | 0 | 112.9 | F164 L173 M183 K186 V190 L191 L197 F215 L218 | F164-L188 HydrophobicContact CD2-CD2 3.96Å; F164-L188 HydrophobicContact CE2-CD2 3.97Å; L173-L188 HydrophobicContact CD2-CD2 4.39Å; M183-L188 HydrophobicContact CE-CD1 4.26Å; M183-L188 HydrophobicContact SD-CD1 3.77Å; M183-L188 HydrophobicContact SD-CG 4.13Å; K186-L188 VanDerWaalsContact C-N 3.31Å; K186-L188 PolarHBondContact O-N 2.87Å; L188-V190 PolarHBondContact O-N 3.29Å; L188-V190 VanDerWaalsContact O-N 3.08Å; L188-L191 HydrophobicContact CD2-CD1 4Å; L188-L191 WeakPolarHBondContact O-CB 3.44Å; L188-L191 PolarHBondContact O-N 3.31Å; L188-L197 HydrophobicContact CD1-CD2 3.79Å; L188-F215 HydrophobicContact CD1-CD1 4.25Å; L188-F215 HydrophobicContact CD1-CE1 4.32Å; L188-L218 HydrophobicContact CB-CD1 4.1Å; L188-L218 HydrophobicContact CB-CD2 4.2Å; L188-L218 HydrophobicContact CB-CG 4.37Å; L188-L218 HydrophobicContact CD1-CD1 4.22Å; L188-L218 VanDerWaalsContact O-CD2 3.26Å; L188-L218 WeakPolarHBondContact O-CD2 3.49Å |
| 189 | S | 92.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 32% | 0.322 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.1 | -178.2 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | K186 L191 Q216 | K186-S189 WeakPolarHBondContact CA-OG 3.18Å; K186-S189 PolarHBondContact O-N 3.47Å; K186-S189 PolarHBondContact O-OG 2.89Å; S189-L191 PolarHBondContact O-N 3.38Å; S189-Q216 WeakPolarHBondContact CA-O 3.38Å; S189-Q216 WeakPolarHBondContact CB-O 3.09Å |
| 190 | V | 92.2 | Very high | 93.9 | Very high | 43 Ų | 43 | 37.9 Ų | 37.9 | 26% | 0.261 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 0.8 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 113.7 | F164 L188 P192 | F164-V190 HydrophobicContact CB-CG2 4.33Å; L188-V190 PolarHBondContact O-N 3.29Å; L188-V190 VanDerWaalsContact O-N 3.08Å; V190-P192 WeakPolarHBondContact O-CD 3.37Å |
| 191 | L | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -114.6 | 60.4 | -175.3 | -53.8 | 177.6 | 0 | 0 | 0 | 112.7 | F164 L167 L170 L173 L188 S189 N193 L194 L218 | F164-L191 HydrophobicContact CB-CD1 4.22Å; F164-L191 HydrophobicContact CB-CD2 4.06Å; F164-L191 HydrophobicContact CB-CG 4.41Å; F164-L191 HydrophobicContact CD2-CD1 4.31Å; F164-L191 HydrophobicContact CG-CD1 4.39Å; L167-L191 HydrophobicContact CB-CD2 3.86Å; L167-L191 VanDerWaalsContact O-CD2 3.3Å; L167-L191 WeakPolarHBondContact O-CD2 3.47Å; L170-L191 HydrophobicContact CB-CD2 4.18Å; L170-L191 HydrophobicContact CD2-CD1 4.32Å; L170-L191 HydrophobicContact CD2-CD2 4.27Å; L173-L191 HydrophobicContact CD2-CD1 3.93Å; L188-L191 HydrophobicContact CD2-CD1 4Å; L188-L191 WeakPolarHBondContact O-CB 3.44Å; L188-L191 PolarHBondContact O-N 3.31Å; S189-L191 PolarHBondContact O-N 3.38Å; L191-N193 PolarHBondContact O-N 2.95Å; L191-N193 VanDerWaalsContact O-N 3.11Å; L191-L194 HydrophobicContact CB-CB 4.12Å; L191-L194 HydrophobicContact CD1-CD2 4.21Å; L191-L194 WeakPolarHBondContact O-CB 3.24Å; L191-L194 PolarHBondContact O-N 3.25Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L191-L218 HydrophobicContact CB-CD2 4.04Å; L191-L218 WeakPolarHBondContact O-CD2 3.47Å | ||
| 192 | P | 95.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 40.8 Ų | 40.8 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19 | -172.7 | 28.7 | -36.9 | 0 | 0 | 0 | 114.2 | V190 A220 | V190-P192 WeakPolarHBondContact O-CD 3.37Å; P192-A220 WeakPolarHBondContact O-CB 3.47Å |
| 193 | N | 97.8 | Very high | 94.7 | Very high | 80 Ų | 80 | 42.8 Ų | 42.8 | 43% | 0.428 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 1.6 | -179.7 | -71.1 | -69.6 | 0 | 0 | 0 | 114 | E168 L170 L191 K195 | E168-N193 PolarHBondContact O-ND2 3.35Å; L170-N193 CarbonylContact O-C 3.54Å; L191-N193 PolarHBondContact O-N 2.95Å; L191-N193 VanDerWaalsContact O-N 3.11Å; N193-K195 PolarHBondContact O-N 3.21Å |
| 194 | L | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -65.7 | 127 | -176.5 | -158.4 | 71.3 | 0 | 0 | 0 | 110.5 | L170 L173 L191 L197 L218 A220 L221 | L170-L194 HydrophobicContact CB-CD1 4.38Å; L170-L194 HydrophobicContact CD2-CD1 4.11Å; L170-L194 HydrophobicContact CG-CD1 4.08Å; L170-L194 WeakPolarHBondContact O-CA 3.34Å; L170-L194 PolarHBondContact O-N 3.4Å; L173-L194 HydrophobicContact CB-CD1 3.73Å; L173-L194 HydrophobicContact CB-CD2 4.35Å; L191-L194 HydrophobicContact CB-CB 4.12Å; L191-L194 HydrophobicContact CD1-CD2 4.21Å; L191-L194 WeakPolarHBondContact O-CB 3.24Å; L191-L194 PolarHBondContact O-N 3.25Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L194-L197 HydrophobicContact CD2-CB 3.98Å; L194-L197 HydrophobicContact CD2-CD1 4.24Å; L194-L197 HydrophobicContact CD2-CD2 4.27Å; L194-L197 HydrophobicContact CD2-CG 4.4Å; L194-L218 HydrophobicContact CB-CD2 4.15Å; L194-L218 HydrophobicContact CD2-CD2 4.19Å; L194-A220 CarbonylContact O-C 3.48Å; L194-A220 WeakPolarHBondContact O-CB 3.27Å; L194-L221 HydrophobicContact CB-CD1 4.32Å; L194-L221 HydrophobicContact CD2-CD1 4.09Å; L194-L221 HydrophobicContact CG-CD1 4.04Å; L194-L221 WeakPolarHBondContact O-CA 3.46Å; L194-L221 PolarHBondContact O-N 3.03Å | ||
| 195 | K | 98.7 | Very high | 94.9 | Very high | 86 Ų | 86 | 39 Ų | 39 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | trans | -110.6 | -32.7 | -179.1 | -66.8 | 173.9 | -174.1 | 165.8 | 0 | 112.2 | Q171 N193 K222 V223 | Q171-K195 HydrophobicContact CB-CD 4.46Å; Q171-K195 PolarHBondContact O-N 3.21Å; N193-K195 PolarHBondContact O-N 3.21Å; K195-K222 PolarHBondContact O-N 2.79Å; K195-V223 PolarHBondContact O-N 3.42Å | ||
| 196 | Y | 98.9 | Very high | 94.6 | Very high | 60 Ų | 60 | 39.6 Ų | 39.6 | 24% | 0.235 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.5 | -178.9 | 179.5 | -81.1 | 0 | 0 | 0 | 109.7 | Q171 L173 D198 V223 K225 | Q171-Y196 PolarHBondContact O-N 3.17Å; L173-Y196 PolarHBondContact N-O 3.13Å; Y196-D198 HydrophobicContact CE1-CB 3.75Å; Y196-D198 PolarHBondContact OH-OD2 2.94Å; Y196-V223 HydrophobicContact CD2-CB 3.71Å; Y196-V223 HydrophobicContact CD2-CG1 3.65Å; Y196-V223 HydrophobicContact CD2-CG2 4.25Å; Y196-V223 HydrophobicContact CE2-CB 4.32Å; Y196-V223 HydrophobicContact CE2-CG1 3.72Å; Y196-V223 HydrophobicContact CG-CB 4.46Å; Y196-K225 HydrophobicContact CE2-CD 4.49Å; Y196-K225 WeakPolarHBondContact OH-CD 3.44Å; Y196-K225 WeakPolarHBondContact OH-CE 3.26Å; Y196-K225 PolarHBondContact OH-NZ 2.98Å |
| 197 | L | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 119.6 | 174.9 | 178.9 | 57 | 0 | 0 | 0 | 110.1 | L173 L175 L188 L194 L199 F215 L218 L221 V223 L224 K225 | L173-L197 HydrophobicContact CB-CD1 4.16Å; L173-L197 HydrophobicContact CD2-CD1 4.07Å; L173-L197 HydrophobicContact CG-CD1 4.07Å; L173-L197 WeakPolarHBondContact O-CA 3.31Å; L175-L197 HydrophobicContact CD1-CD1 4.47Å; L188-L197 HydrophobicContact CD1-CD2 3.79Å; L194-L197 HydrophobicContact CD2-CB 3.98Å; L194-L197 HydrophobicContact CD2-CD1 4.24Å; L194-L197 HydrophobicContact CD2-CD2 4.27Å; L194-L197 HydrophobicContact CD2-CG 4.4Å; L197-L199 HydrophobicContact CD1-CD1 4.37Å; L197-L199 HydrophobicContact CD1-CG 4.03Å; L197-L199 HydrophobicContact CD2-CD1 3.82Å; L197-L199 HydrophobicContact CD2-CG 4.36Å; L197-L199 HydrophobicContact CG-CD1 4.04Å; L197-L199 HydrophobicContact CG-CG 4.04Å; L197-F215 HydrophobicContact CD2-CD1 4.39Å; L197-F215 HydrophobicContact CD2-CE1 4.1Å; L197-L218 HydrophobicContact CD2-CD1 4.17Å; L197-L221 HydrophobicContact CB-CD1 3.73Å; L197-L221 HydrophobicContact CB-CD2 4.34Å; L197-V223 PolarHBondContact N-O 2.64Å; L197-L224 HydrophobicContact CB-CD1 4.21Å; L197-L224 HydrophobicContact CD2-CD1 3.98Å; L197-L224 HydrophobicContact CG-CD1 4.07Å; L197-L224 WeakPolarHBondContact O-CA 3.41Å; L197-K225 PolarHBondContact O-N 3.1Å |
| 198 | D | 98.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.2 | 171.2 | -158.8 | -24.7 | 0 | 0 | 0 | 110.6 | L173 L175 S176 Y196 S200 K225 | L173-D198 PolarHBondContact O-N 3.1Å; L175-D198 CarbonylContact C-O 3.55Å; L175-D198 WeakPolarHBondContact CA-O 3.37Å; L175-D198 PolarHBondContact N-O 3.03Å; S176-D198 PolarHBondContact N-O 3.23Å; Y196-D198 HydrophobicContact CE1-CB 3.75Å; Y196-D198 PolarHBondContact OH-OD2 2.94Å; D198-S200 WeakPolarHBondContact OD1-CB 3.24Å; D198-S200 PolarHBondContact OD1-N 3Å; D198-S200 PolarHBondContact OD1-OG 2.71Å; D198-K225 HydrophobicContact CB-CB 4.4Å; D198-K225 HydrophobicContact CB-CD 4.36Å; D198-K225 WeakPolarHBondContact OD1-CB 3.19Å; D198-K225 WeakPolarHBondContact OD2-CD 3.45Å; D198-K225 IonicContact OD2-NZ 2.85Å |
| 199 | L | 98.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -117.7 | 14 | 177.3 | -78.3 | 168.3 | 0 | 0 | 0 | 111.2 | L175 I180 M183 L197 N202 L204 F215 K225 L226 N229 | L175-L199 HydrophobicContact CB-CD2 3.95Å; L175-L199 HydrophobicContact CD1-CD2 3.95Å; I180-L199 HydrophobicContact CD1-CD2 4.28Å; M183-L199 HydrophobicContact CE-CD1 4.13Å; M183-L199 HydrophobicContact CE-CD2 3.96Å; L197-L199 HydrophobicContact CD1-CD1 4.37Å; L197-L199 HydrophobicContact CD1-CG 4.03Å; L197-L199 HydrophobicContact CD2-CD1 3.82Å; L197-L199 HydrophobicContact CD2-CG 4.36Å; L197-L199 HydrophobicContact CG-CD1 4.04Å; L197-L199 HydrophobicContact CG-CG 4.04Å; L199-N202 PolarHBondContact O-ND2 3.17Å; L199-L204 HydrophobicContact CB-CD1 3.82Å; L199-L204 HydrophobicContact CD1-CD1 4.13Å; L199-L204 HydrophobicContact CD2-CD1 4.35Å; L199-L204 HydrophobicContact CG-CD1 4.33Å; L199-F215 HydrophobicContact CD1-CE1 3.9Å; L199-F215 HydrophobicContact CD1-CZ 4.27Å; L199-K225 PolarHBondContact N-O 3.29Å; L199-L226 HydrophobicContact CB-CD2 3.93Å; L199-L226 HydrophobicContact CD1-CD2 4.18Å; L199-N229 PolarHBondContact O-ND2 2.91Å | ||
| 200 | S | 98.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | trans | -61.3 | 152.1 | -175.9 | -51.9 | 0 | 0 | 0 | 0 | 112.3 | S176 S177 D198 N202 K225 N227 | S176-S200 CarbonylContact C-O 3.17Å; S176-S200 WeakPolarHBondContact CA-O 3.34Å; S176-S200 WeakPolarHBondContact CB-O 3.37Å; S177-S200 PolarHBondContact N-O 3.33Å; D198-S200 WeakPolarHBondContact OD1-CB 3.24Å; D198-S200 PolarHBondContact OD1-N 3Å; D198-S200 PolarHBondContact OD1-OG 2.71Å; S200-N202 PolarHBondContact O-N 3.17Å; S200-N202 PolarHBondContact O-ND2 3.33Å; S200-K225 PolarHBondContact N-O 3.05Å; S200-K225 WeakPolarHBondContact OG-CB 3.38Å; S200-N227 CarbonylContact C-O 3.49Å; S200-N227 WeakPolarHBondContact CA-O 3.32Å; S200-N227 WeakPolarHBondContact CB-O 3.3Å; S200-N227 PolarHBondContact OG-N 3.04Å | ||
| 201 | H | 98.6 | Very high | 90.2 | Very high | 99 Ų | 99 | 33 Ų | 33 | 46% | 0.458 | 17% | 0.173 | S | C | . | . | S | Bend | trans | 55.3 | 52.6 | 177.9 | -51.3 | -69.8 | 0 | 0 | 0 | 112.7 | S177 N178 N227 | S177-H201 VanDerWaalsContact CA-O 3.27Å; S177-H201 WeakPolarHBondContact CA-O 3.46Å; S177-H201 PolarHBondContact N-O 3.02Å; N178-H201 PolarHBondContact N-O 3.49Å; H201-N227 PolarHBondContact N-O 3.12Å |
| 202 | N | 98.1 | Very high | 88.8 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.032 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -121.8 | -161.1 | 170.6 | -82.3 | -74.4 | 0 | 0 | 0 | 109.4 | L175 N178 S179 I180 L199 S200 L204 N229 | L175-N202 PolarHBondContact O-ND2 3.14Å; N178-N202 VanDerWaalsContact CA-OD1 3.29Å; N178-N202 WeakPolarHBondContact CA-OD1 3.01Å; N178-N202 WeakPolarHBondContact CB-OD1 3.48Å; N178-N202 PolarHBondContact N-OD1 2.81Å; N178-N202 PolarHBondContact O-OD1 2.93Å; S179-N202 PolarHBondContact N-OD1 3.34Å; I180-N202 HydrophobicContact CB-CB 4.16Å; I180-N202 WeakPolarHBondContact CB-OD1 3.47Å; I180-N202 WeakPolarHBondContact CD1-OD1 3.12Å; I180-N202 VanDerWaalsContact CG1-OD1 3.32Å; I180-N202 WeakPolarHBondContact CG1-OD1 3.29Å; I180-N202 PolarHBondContact N-OD1 3.11Å; L199-N202 PolarHBondContact O-ND2 3.17Å; S200-N202 PolarHBondContact O-N 3.17Å; S200-N202 PolarHBondContact O-ND2 3.33Å; N202-L204 HydrophobicContact CB-CD1 4.45Å; N202-L204 HydrophobicContact CB-CG 4.06Å; N202-N229 WeakPolarHBondContact CA-OD1 3.37Å; N202-N229 WeakPolarHBondContact CB-OD1 3.29Å; N202-N229 PolarHBondContact N-OD1 2.89Å; N202-N229 PolarHBondContact O-OD1 2.73Å |
| 203 | K | 94.3 | Very high | 88.2 | Confident | 112 Ų | 112 | 34.3 Ų | 34.3 | 49% | 0.487 | 17% | 0.174 | S | C | . | . | trans | -123 | 43.1 | -177.6 | -62.1 | -178.9 | 179.8 | 178 | 0 | 111.1 | I180 S181 S205 | I180-K203 CarbonylContact O-C 3.55Å; I180-K203 VanDerWaalsContact O-C 3.23Å; I180-K203 VanDerWaalsContact O-CA 3.3Å; I180-K203 WeakPolarHBondContact O-CA 3.25Å; I180-K203 WeakPolarHBondContact O-CB 3.09Å; I180-K203 PolarHBondContact O-N 2.97Å; S181-K203 WeakPolarHBondContact CA-O 3.3Å; K203-S205 VanDerWaalsContact C-N 3.32Å; K203-S205 PolarHBondContact O-N 3.04Å | ||
| 204 | L | 92.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -1.9 | -167.4 | -64.7 | 176.1 | 0 | 0 | 0 | 116 | I180 M183 L199 N202 E206 V207 F208 L226 N229 L231 | I180-L204 HydrophobicContact CB-CD2 4.3Å; I180-L204 HydrophobicContact CG2-CD2 3.73Å; M183-L204 HydrophobicContact CE-CD2 4.37Å; L199-L204 HydrophobicContact CB-CD1 3.82Å; L199-L204 HydrophobicContact CD1-CD1 4.13Å; L199-L204 HydrophobicContact CD2-CD1 4.35Å; L199-L204 HydrophobicContact CG-CD1 4.33Å; N202-L204 HydrophobicContact CB-CD1 4.45Å; N202-L204 HydrophobicContact CB-CG 4.06Å; L204-E206 PolarHBondContact O-N 3.16Å; L204-E206 VanDerWaalsContact O-N 3.12Å; L204-V207 HydrophobicContact CD2-CB 4.3Å; L204-V207 HydrophobicContact CD2-CG2 3.89Å; L204-V207 WeakPolarHBondContact O-CB 3.45Å; L204-V207 PolarHBondContact O-N 3.24Å; L204-F208 HydrophobicContact CB-CD2 4.13Å; L204-F208 HydrophobicContact CB-CE2 4.09Å; L204-F208 HydrophobicContact CD1-CE2 4.35Å; L204-F208 WeakPolarHBondContact O-CD2 3.16Å; L204-F208 PolarHBondContact O-N 3.37Å; L204-L226 HydrophobicContact CD1-CD2 4.02Å; L204-N229 HydrophobicContact CB-CB 4.17Å; L204-N229 WeakPolarHBondContact CB-OD1 3.27Å; L204-N229 WeakPolarHBondContact CD1-OD1 3.32Å; L204-N229 WeakPolarHBondContact CG-OD1 3.36Å; L204-N229 PolarHBondContact N-OD1 3.29Å; L204-L231 HydrophobicContact CB-CD2 4.31Å |
| 205 | S | 87.2 | Confident | 87.3 | Confident | 19 Ų | 19 | 30.7 Ų | 30.7 | 13% | 0.133 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -44.7 | -48.6 | 180 | -158.2 | 0 | 0 | 0 | 0 | 113 | K203 V207 F208 M209 N229 Q230 | K203-S205 VanDerWaalsContact C-N 3.32Å; K203-S205 PolarHBondContact O-N 3.04Å; S205-V207 PolarHBondContact O-N 3.26Å; S205-F208 PolarHBondContact O-N 3.38Å; S205-M209 WeakPolarHBondContact O-CG 3.35Å; S205-M209 PolarHBondContact O-N 3.47Å; S205-M209 VanDerWaalsContact O-N 3.15Å; S205-N229 PolarHBondContact N-O 3.05Å; S205-Q230 WeakPolarHBondContact CB-O 3.28Å; S205-Q230 PolarHBondContact OG-O 3.16Å |
| 206 | E | 76.6 | Confident | 86.9 | Confident | 74 Ų | 74 | 31.8 Ų | 31.8 | 35% | 0.346 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -73.9 | -29.7 | -176.9 | -58.5 | -69 | -144 | 0 | 0 | 114 | L204 F208 M209 S210 R374 Y376 | L204-E206 PolarHBondContact O-N 3.16Å; L204-E206 VanDerWaalsContact O-N 3.12Å; E206-F208 VanDerWaalsContact C-N 3.32Å; E206-F208 PolarHBondContact O-N 3.23Å; E206-M209 PolarHBondContact O-N 3.43Å; E206-S210 PolarHBondContact O-N 3.35Å; E206-R374 IonicContact OE1-CZ 3.53Å; E206-R374 IonicContact OE1-NH1 3.57Å; E206-R374 IonicContact OE1-NH2 2.93Å; E206-R374 PolarHBondContact OE1-NH2 3.11Å; E206-R374 IonicContact OE2-CZ 3.98Å; E206-R374 IonicContact OE2-NH1 3.89Å; E206-R374 PolarHBondContact OE2-NH1 2.92Å; E206-R374 IonicContact OE2-NH2 3.64Å; E206-R374 PolarHBondContact OE2-NH2 3.16Å; E206-Y376 HydrophobicContact CB-CE1 4.06Å |
| 207 | V | 83.5 | Confident | 86.5 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 175 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | S181 M183 L204 S205 S210 V214 | S181-V207 WeakPolarHBondContact O-CG2 3.36Å; M183-V207 HydrophobicContact CB-CG1 4Å; M183-V207 HydrophobicContact CB-CG2 4.25Å; L204-V207 HydrophobicContact CD2-CB 4.3Å; L204-V207 HydrophobicContact CD2-CG2 3.89Å; L204-V207 WeakPolarHBondContact O-CB 3.45Å; L204-V207 PolarHBondContact O-N 3.24Å; S205-V207 PolarHBondContact O-N 3.26Å; V207-S210 PolarHBondContact O-N 2.84Å; V207-S210 PolarHBondContact O-OG 3.07Å; V207-V214 HydrophobicContact CG1-CB 4.49Å; V207-V214 HydrophobicContact CG1-CG1 3.67Å; V207-V214 HydrophobicContact CG1-CG2 4.3Å |
| 208 | F | 81 | Confident | 86.4 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -70.5 | -37.9 | 179.6 | -79.3 | -113.1 | 0 | 0 | 0 | 111.9 | L204 S205 E206 S210 F215 L226 L231 L234 P235 V238 F239 | L204-F208 HydrophobicContact CB-CD2 4.13Å; L204-F208 HydrophobicContact CB-CE2 4.09Å; L204-F208 HydrophobicContact CD1-CE2 4.35Å; L204-F208 WeakPolarHBondContact O-CD2 3.16Å; L204-F208 PolarHBondContact O-N 3.37Å; S205-F208 PolarHBondContact O-N 3.38Å; E206-F208 VanDerWaalsContact C-N 3.32Å; E206-F208 PolarHBondContact O-N 3.23Å; F208-S210 PolarHBondContact O-N 2.91Å; F208-F215 AromaticContact CE1-CE2 3.95Å; F208-F215 HydrophobicContact CE1-CE2 3.95Å; F208-F215 HydrophobicContact CE2-CE2 4.37Å; F208-F215 HydrophobicContact CE2-CZ 4.28Å; F208-F215 AromaticContact CZ-CE2 3.52Å; F208-F215 HydrophobicContact CZ-CE2 3.52Å; F208-F215 AromaticContact CZ-CZ 3.68Å; F208-F215 HydrophobicContact CZ-CZ 3.68Å; F208-L226 HydrophobicContact CE1-CD1 3.97Å; F208-L226 HydrophobicContact CE2-CD2 4.13Å; F208-L226 HydrophobicContact CZ-CD1 3.56Å; F208-L226 HydrophobicContact CZ-CD2 3.77Å; F208-L226 HydrophobicContact CZ-CG 4.32Å; F208-L231 HydrophobicContact CB-CD2 4.27Å; F208-L231 HydrophobicContact CD1-CD1 4.45Å; F208-L231 HydrophobicContact CD2-CD2 3.8Å; F208-L231 HydrophobicContact CE1-CD1 4.37Å; F208-L231 HydrophobicContact CE2-CD2 4.28Å; F208-L231 HydrophobicContact CG-CD2 3.95Å; F208-L231 HydrophobicContact CZ-CD1 4.46Å; F208-L234 HydrophobicContact CD1-CD2 3.63Å; F208-L234 HydrophobicContact CE1-CD2 3.96Å; F208-P235 VanDerWaalsContact O-CG 3.26Å; F208-P235 WeakPolarHBondContact O-CG 3.45Å; F208-V238 HydrophobicContact CD1-CG2 3.57Å; F208-V238 HydrophobicContact CE1-CG2 3.9Å; F208-V238 HydrophobicContact CG-CG2 4.4Å; F208-F239 HydrophobicContact CE1-CE1 4.07Å; F208-F239 HydrophobicContact CE1-CZ 4.33Å |
| 209 | M | 71.8 | Confident | 86.1 | Confident | 24 Ų | 24 | 32.7 Ų | 32.7 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -22 | 178.7 | -68.9 | -58.6 | -62.2 | 0 | 0 | 113.9 | S205 E206 G211 S233 Y367 I417 V422 | S205-M209 WeakPolarHBondContact O-CG 3.35Å; S205-M209 PolarHBondContact O-N 3.47Å; S205-M209 VanDerWaalsContact O-N 3.15Å; E206-M209 PolarHBondContact O-N 3.43Å; M209-G211 PolarHBondContact O-N 3.47Å; M209-S233 PolarHBondContact SD-OG 3.18Å; M209-Y367 PolarHBondContact O-OH 2.74Å; M209-I417 HydrophobicContact CE-CD1 4Å; M209-I417 HydrophobicContact CE-CG2 4.47Å; M209-V422 HydrophobicContact CE-CG2 3.83Å |
| 210 | S | 65.7 | Low | 86 | Confident | 8 Ų | 8 | 33.2 Ų | 33.2 | 6% | 0.056 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -9.8 | -176.1 | 71.6 | 0 | 0 | 0 | 0 | 115.1 | E206 V207 F208 Q212 | E206-S210 PolarHBondContact O-N 3.35Å; V207-S210 PolarHBondContact O-N 2.84Å; V207-S210 PolarHBondContact O-OG 3.07Å; F208-S210 PolarHBondContact O-N 2.91Å; S210-Q212 PolarHBondContact O-N 3.04Å; S210-Q212 WeakPolarHBondContact OG-CB 3.42Å; S210-Q212 VanDerWaalsContact OG-CG 3.23Å; S210-Q212 WeakPolarHBondContact OG-CG 3.39Å; S210-Q212 PolarHBondContact OG-N 3.27Å |
| 211 | G | 63.3 | Low | 86 | Confident | 46 Ų | 46 | 33 Ų | 33 | 47% | 0.474 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 9.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | M209 | M209-G211 PolarHBondContact O-N 3.47Š|
| 212 | Q | 68.1 | Low | 86 | Confident | 21 Ų | 21 | 33.6 Ų | 33.6 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | trans | -75.8 | 132 | 178.5 | -70.4 | 178.7 | 2.8 | 0 | 0 | 111.9 | M183 Q185 S210 V214 | M183-Q212 PolarHBondContact O-OE1 3.31Å; Q185-Q212 HydrophobicContact CB-CB 4.43Å; Q185-Q212 HydrophobicContact CB-CG 4.46Å; Q185-Q212 HydrophobicContact CG-CB 4.41Å; S210-Q212 PolarHBondContact O-N 3.04Å; S210-Q212 WeakPolarHBondContact OG-CB 3.42Å; S210-Q212 VanDerWaalsContact OG-CG 3.23Å; S210-Q212 WeakPolarHBondContact OG-CG 3.39Å; S210-Q212 PolarHBondContact OG-N 3.27Å; Q212-V214 HydrophobicContact CB-CG1 3.77Å; Q212-V214 PolarHBondContact O-N 3.33Å | ||
| 213 | H | 81.6 | Confident | 86 | Confident | 63 Ų | 63 | 35 Ų | 35 | 29% | 0.292 | 20% | 0.195 | S | C | . | . | trans | -77.7 | 63.2 | 171.7 | -52 | 93.6 | 0 | 0 | 0 | 110.8 | F215 Q216 | H213-F215 PolarHBondContact O-N 2.99Å; H213-F215 VanDerWaalsContact O-N 3.12Å; H213-Q216 HydrophobicContact CB-CB 4.11Å; H213-Q216 WeakPolarHBondContact O-CB 3.4Å; H213-Q216 PolarHBondContact O-N 3.03Å | ||
| 214 | V | 86.7 | Confident | 86.2 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.2 | -172.5 | -64.1 | 0 | 0 | 0 | 0 | 114.4 | M183 V207 Q212 | M183-V214 HydrophobicContact SD-CB 4.07Å; M183-V214 HydrophobicContact SD-CG2 4.49Å; V207-V214 HydrophobicContact CG1-CB 4.49Å; V207-V214 HydrophobicContact CG1-CG1 3.67Å; V207-V214 HydrophobicContact CG1-CG2 4.3Å; Q212-V214 HydrophobicContact CB-CG1 3.77Å; Q212-V214 PolarHBondContact O-N 3.33Å |
| 215 | F | 92.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 5.3 | 177.4 | -58.1 | -56.6 | 0 | 0 | 0 | 113.7 | L188 L197 L199 F208 H213 G217 L218 L224 L226 F239 L242 | L188-F215 HydrophobicContact CD1-CD1 4.25Å; L188-F215 HydrophobicContact CD1-CE1 4.32Å; L197-F215 HydrophobicContact CD2-CD1 4.39Å; L197-F215 HydrophobicContact CD2-CE1 4.1Å; L199-F215 HydrophobicContact CD1-CE1 3.9Å; L199-F215 HydrophobicContact CD1-CZ 4.27Å; F208-F215 AromaticContact CE1-CE2 3.95Å; F208-F215 HydrophobicContact CE1-CE2 3.95Å; F208-F215 HydrophobicContact CE2-CE2 4.37Å; F208-F215 HydrophobicContact CE2-CZ 4.28Å; F208-F215 AromaticContact CZ-CE2 3.52Å; F208-F215 HydrophobicContact CZ-CE2 3.52Å; F208-F215 AromaticContact CZ-CZ 3.68Å; F208-F215 HydrophobicContact CZ-CZ 3.68Å; H213-F215 PolarHBondContact O-N 2.99Å; H213-F215 VanDerWaalsContact O-N 3.12Å; F215-G217 PolarHBondContact O-N 2.8Å; F215-L218 HydrophobicContact CB-CD1 4.27Å; F215-L218 HydrophobicContact CD1-CD1 3.94Å; F215-L218 WeakPolarHBondContact O-CB 3.44Å; F215-L218 PolarHBondContact O-N 3.05Å; F215-L224 HydrophobicContact CD2-CD2 4.47Å; F215-L224 HydrophobicContact CE1-CD1 4.13Å; F215-L224 HydrophobicContact CE1-CD2 4.33Å; F215-L224 HydrophobicContact CE2-CD2 4.11Å; F215-L224 HydrophobicContact CZ-CD1 4.29Å; F215-L224 HydrophobicContact CZ-CD2 4.04Å; F215-L226 HydrophobicContact CZ-CD2 4.29Å; F215-F239 HydrophobicContact CD2-CD1 4.12Å; F215-F239 HydrophobicContact CE2-CD1 4.2Å; F215-F239 HydrophobicContact CE2-CE1 4.17Å; F215-L242 HydrophobicContact CB-CD1 4.04Å; F215-L242 HydrophobicContact CB-CD2 3.87Å; F215-L242 HydrophobicContact CB-CG 3.98Å; F215-L242 HydrophobicContact CD2-CD1 4.33Å; F215-L242 HydrophobicContact CG-CD1 4.19Å |
| 216 | Q | 89.7 | Confident | 87 | Confident | 109 Ų | 109 | 30.8 Ų | 30.8 | 51% | 0.509 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 132.9 | 177.7 | -172.1 | 174.1 | 12.4 | 0 | 0 | 110.7 | S189 H213 | S189-Q216 WeakPolarHBondContact CA-O 3.38Å; S189-Q216 WeakPolarHBondContact CB-O 3.09Å; H213-Q216 HydrophobicContact CB-CB 4.11Å; H213-Q216 WeakPolarHBondContact O-CB 3.4Å; H213-Q216 PolarHBondContact O-N 3.03Å |
| 217 | G | 89.9 | Confident | 88 | Confident | 33 Ų | 33 | 28.2 Ų | 28.2 | 34% | 0.34 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -10.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F215 S219 | F215-G217 PolarHBondContact O-N 2.8Å; G217-S219 PolarHBondContact O-N 3.11Å |
| 218 | L | 95.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -84.4 | 49.2 | 179.4 | -59.4 | -177.4 | 0 | 0 | 0 | 113.1 | L188 L191 L194 L197 F215 A220 L221 L242 | L188-L218 HydrophobicContact CB-CD1 4.1Å; L188-L218 HydrophobicContact CB-CD2 4.2Å; L188-L218 HydrophobicContact CB-CG 4.37Å; L188-L218 HydrophobicContact CD1-CD1 4.22Å; L188-L218 VanDerWaalsContact O-CD2 3.26Å; L188-L218 WeakPolarHBondContact O-CD2 3.49Å; L191-L218 HydrophobicContact CB-CD2 4.04Å; L191-L218 WeakPolarHBondContact O-CD2 3.47Å; L194-L218 HydrophobicContact CB-CD2 4.15Å; L194-L218 HydrophobicContact CD2-CD2 4.19Å; L197-L218 HydrophobicContact CD2-CD1 4.17Å; F215-L218 HydrophobicContact CB-CD1 4.27Å; F215-L218 HydrophobicContact CD1-CD1 3.94Å; F215-L218 WeakPolarHBondContact O-CB 3.44Å; F215-L218 PolarHBondContact O-N 3.05Å; L218-A220 PolarHBondContact O-N 3.4Å; L218-A220 VanDerWaalsContact O-N 3.12Å; L218-L221 HydrophobicContact CB-CB 4.17Å; L218-L221 HydrophobicContact CD1-CD2 4.25Å; L218-L221 VanDerWaalsContact O-CB 3.31Å; L218-L221 WeakPolarHBondContact O-CB 3.46Å; L218-L221 PolarHBondContact O-N 3.29Å; L218-L221 VanDerWaalsContact O-N 3.08Å; L218-L242 HydrophobicContact CB-CD2 3.57Å; L218-L242 HydrophobicContact CD1-CD2 4.42Å | ||
| 219 | S | 93.8 | Very high | 89.5 | Confident | 59 Ų | 59 | 28.8 Ų | 28.8 | 41% | 0.413 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -17.1 | -174.6 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | G217 G241 R244 | G217-S219 PolarHBondContact O-N 3.11Å; S219-G241 WeakPolarHBondContact CA-O 3.43Å; S219-R244 WeakPolarHBondContact O-CD 3.48Å; S219-R244 WeakPolarHBondContact O-CG 3.36Å |
| 220 | A | 97 | Very high | 90.4 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -8.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | P192 L194 L218 K222 | P192-A220 WeakPolarHBondContact O-CB 3.47Å; L194-A220 CarbonylContact O-C 3.48Å; L194-A220 WeakPolarHBondContact O-CB 3.27Å; L218-A220 PolarHBondContact O-N 3.4Å; L218-A220 VanDerWaalsContact O-N 3.12Å; A220-K222 PolarHBondContact O-N 2.84Å |
| 221 | L | 98.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -68.3 | 128.8 | -170.3 | -162.2 | 74.5 | 0 | 0 | 0 | 110.9 | L194 L197 L218 L224 L242 R244 L245 | L194-L221 HydrophobicContact CB-CD1 4.32Å; L194-L221 HydrophobicContact CD2-CD1 4.09Å; L194-L221 HydrophobicContact CG-CD1 4.04Å; L194-L221 WeakPolarHBondContact O-CA 3.46Å; L194-L221 PolarHBondContact O-N 3.03Å; L197-L221 HydrophobicContact CB-CD1 3.73Å; L197-L221 HydrophobicContact CB-CD2 4.34Å; L218-L221 HydrophobicContact CB-CB 4.17Å; L218-L221 HydrophobicContact CD1-CD2 4.25Å; L218-L221 VanDerWaalsContact O-CB 3.31Å; L218-L221 WeakPolarHBondContact O-CB 3.46Å; L218-L221 PolarHBondContact O-N 3.29Å; L218-L221 VanDerWaalsContact O-N 3.08Å; L221-L224 HydrophobicContact CD2-CB 4.06Å; L221-L224 HydrophobicContact CD2-CD1 4.37Å; L221-L242 HydrophobicContact CB-CD2 3.99Å; L221-L242 HydrophobicContact CD2-CD1 4.29Å; L221-L242 HydrophobicContact CD2-CD2 3.72Å; L221-R244 CarbonylContact O-C 3.4Å; L221-L245 HydrophobicContact CD2-CD1 4.32Å; L221-L245 HydrophobicContact CG-CD1 4.48Å; L221-L245 WeakPolarHBondContact O-CA 3.15Å; L221-L245 PolarHBondContact O-N 2.85Å; L221-L245 VanDerWaalsContact O-N 3.15Å | ||
| 222 | K | 98.2 | Very high | 92.7 | Very high | 110 Ų | 110 | 38.1 Ų | 38.1 | 48% | 0.478 | 19% | 0.194 | S | C | . | . | trans | -109.8 | -36.8 | 178.6 | -64.3 | -171.2 | 174.9 | -167.4 | 0 | 112.4 | K195 A220 D246 H247 | K195-K222 PolarHBondContact O-N 2.79Å; A220-K222 PolarHBondContact O-N 2.84Å; K222-D246 PolarHBondContact O-N 2.85Å; K222-H247 PolarHBondContact O-N 2.63Å | ||
| 223 | V | 98.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 21% | 0.212 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.3 | -175.2 | -176 | 0 | 0 | 0 | 0 | 109.3 | K195 Y196 L197 K225 H247 | K195-V223 PolarHBondContact O-N 3.42Å; Y196-V223 HydrophobicContact CD2-CB 3.71Å; Y196-V223 HydrophobicContact CD2-CG1 3.65Å; Y196-V223 HydrophobicContact CD2-CG2 4.25Å; Y196-V223 HydrophobicContact CE2-CB 4.32Å; Y196-V223 HydrophobicContact CE2-CG1 3.72Å; Y196-V223 HydrophobicContact CG-CB 4.46Å; L197-V223 PolarHBondContact N-O 2.64Å; V223-K225 HydrophobicContact CG1-CG 4.3Å; V223-H247 WeakPolarHBondContact CA-O 3.48Å; V223-H247 HydrophobicContact CB-CB 4.43Å; V223-H247 HydrophobicContact CG1-CB 4.3Å; V223-H247 HydrophobicContact CG2-CB 4.1Å |
| 224 | L | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.7 | 173.1 | 179.2 | 57.4 | 0 | 0 | 0 | 109.6 | L197 F215 L221 L226 F239 L242 L245 H247 L248 Q249 | L197-L224 HydrophobicContact CB-CD1 4.21Å; L197-L224 HydrophobicContact CD2-CD1 3.98Å; L197-L224 HydrophobicContact CG-CD1 4.07Å; L197-L224 WeakPolarHBondContact O-CA 3.41Å; F215-L224 HydrophobicContact CD2-CD2 4.47Å; F215-L224 HydrophobicContact CE1-CD1 4.13Å; F215-L224 HydrophobicContact CE1-CD2 4.33Å; F215-L224 HydrophobicContact CE2-CD2 4.11Å; F215-L224 HydrophobicContact CZ-CD1 4.29Å; F215-L224 HydrophobicContact CZ-CD2 4.04Å; L221-L224 HydrophobicContact CD2-CB 4.06Å; L221-L224 HydrophobicContact CD2-CD1 4.37Å; L224-L226 HydrophobicContact CD1-CD2 4.39Å; L224-L226 HydrophobicContact CD1-CG 4.2Å; L224-L226 HydrophobicContact CD2-CD1 3.94Å; L224-L226 HydrophobicContact CD2-CG 4.44Å; L224-L226 HydrophobicContact CG-CD1 4.07Å; L224-L226 HydrophobicContact CG-CG 4.06Å; L224-F239 HydrophobicContact CD2-CD1 4.09Å; L224-F239 HydrophobicContact CD2-CE1 3.97Å; L224-L242 HydrophobicContact CD2-CD1 3.85Å; L224-L245 HydrophobicContact CB-CD1 3.63Å; L224-H247 PolarHBondContact N-O 3.5Å; L224-L248 HydrophobicContact CB-CD1 4.19Å; L224-L248 HydrophobicContact CD2-CD1 4.09Å; L224-L248 HydrophobicContact CG-CD1 4.11Å; L224-L248 WeakPolarHBondContact O-CA 3.09Å; L224-Q249 PolarHBondContact O-N 3.28Å |
| 225 | K | 98.7 | Very high | 93 | Very high | 45 Ų | 45 | 37.4 Ų | 37.4 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.5 | 176 | -60 | 177.5 | 169.2 | 177.4 | 0 | 110.7 | Y196 L197 D198 L199 S200 V223 Q249 | Y196-K225 HydrophobicContact CE2-CD 4.49Å; Y196-K225 WeakPolarHBondContact OH-CD 3.44Å; Y196-K225 WeakPolarHBondContact OH-CE 3.26Å; Y196-K225 PolarHBondContact OH-NZ 2.98Å; L197-K225 PolarHBondContact O-N 3.1Å; D198-K225 HydrophobicContact CB-CB 4.4Å; D198-K225 HydrophobicContact CB-CD 4.36Å; D198-K225 WeakPolarHBondContact OD1-CB 3.19Å; D198-K225 WeakPolarHBondContact OD2-CD 3.45Å; D198-K225 IonicContact OD2-NZ 2.85Å; L199-K225 PolarHBondContact N-O 3.29Å; S200-K225 PolarHBondContact N-O 3.05Å; S200-K225 WeakPolarHBondContact OG-CB 3.38Å; V223-K225 HydrophobicContact CG1-CG 4.3Å; K225-Q249 HydrophobicContact CB-CB 4.44Å; K225-Q249 HydrophobicContact CG-CB 4.28Å; K225-Q249 HydrophobicContact CG-CG 4.09Å |
| 226 | L | 98 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -129.1 | 23 | -176.1 | -68.9 | 167.3 | 0 | 0 | 0 | 111.5 | L199 L204 F208 F215 L224 N229 L231 F239 L248 Q249 L250 N253 | L199-L226 HydrophobicContact CB-CD2 3.93Å; L199-L226 HydrophobicContact CD1-CD2 4.18Å; L204-L226 HydrophobicContact CD1-CD2 4.02Å; F208-L226 HydrophobicContact CE1-CD1 3.97Å; F208-L226 HydrophobicContact CE2-CD2 4.13Å; F208-L226 HydrophobicContact CZ-CD1 3.56Å; F208-L226 HydrophobicContact CZ-CD2 3.77Å; F208-L226 HydrophobicContact CZ-CG 4.32Å; F215-L226 HydrophobicContact CZ-CD2 4.29Å; L224-L226 HydrophobicContact CD1-CD2 4.39Å; L224-L226 HydrophobicContact CD1-CG 4.2Å; L224-L226 HydrophobicContact CD2-CD1 3.94Å; L224-L226 HydrophobicContact CD2-CG 4.44Å; L224-L226 HydrophobicContact CG-CD1 4.07Å; L224-L226 HydrophobicContact CG-CG 4.06Å; L226-N229 VanDerWaalsContact C-ND2 3.33Å; L226-N229 PolarHBondContact O-ND2 2.55Å; L226-L231 HydrophobicContact CB-CD1 4.35Å; L226-F239 HydrophobicContact CD1-CE1 3.93Å; L226-F239 HydrophobicContact CD1-CZ 4.31Å; L226-L248 HydrophobicContact CD1-CD1 4.3Å; L226-Q249 WeakPolarHBondContact CA-O 3.42Å; L226-Q249 PolarHBondContact N-O 2.85Å; L226-L250 HydrophobicContact CB-CD2 4.05Å; L226-L250 HydrophobicContact CD1-CD2 4Å; L226-N253 PolarHBondContact O-ND2 2.83Å | ||
| 227 | N | 98.6 | Very high | 91.8 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 145.4 | -174 | -55.1 | -38.8 | 0 | 0 | 0 | 111.1 | S200 H201 N229 Q249 L250 L251 | S200-N227 CarbonylContact C-O 3.49Å; S200-N227 WeakPolarHBondContact CA-O 3.32Å; S200-N227 WeakPolarHBondContact CB-O 3.3Å; S200-N227 PolarHBondContact OG-N 3.04Å; H201-N227 PolarHBondContact N-O 3.12Å; N227-N229 PolarHBondContact O-N 2.98Å; N227-N229 PolarHBondContact O-ND2 3.16Å; N227-Q249 PolarHBondContact ND2-OE1 2.93Å; N227-Q249 VanDerWaalsContact OD1-C 3.29Å; N227-Q249 WeakPolarHBondContact OD1-CB 3.37Å; N227-Q249 PolarHBondContact OD1-O 2.94Å; N227-L250 PolarHBondContact OD1-N 3.05Å; N227-L251 CarbonylContact C-O 3.57Å; N227-L251 WeakPolarHBondContact CA-O 3.24Å; N227-L251 HydrophobicContact CB-CB 4.29Å; N227-L251 WeakPolarHBondContact CB-O 3.33Å; N227-L251 WeakPolarHBondContact OD1-CB 3.46Å; N227-L251 PolarHBondContact OD1-N 2.99Å |
| 228 | G | 97.8 | Very high | 91.5 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 36.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L251 D252 | G228-L251 PolarHBondContact N-O 2.88Å; G228-D252 WeakPolarHBondContact CA-O 3.45Å |
| 229 | N | 97 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -103.5 | 5.3 | -179 | -90.9 | -69.6 | 0 | 0 | 0 | 114.5 | L199 N202 L204 S205 L226 N227 L231 N253 | L199-N229 PolarHBondContact O-ND2 2.91Å; N202-N229 WeakPolarHBondContact CA-OD1 3.37Å; N202-N229 WeakPolarHBondContact CB-OD1 3.29Å; N202-N229 PolarHBondContact N-OD1 2.89Å; N202-N229 PolarHBondContact O-OD1 2.73Å; L204-N229 HydrophobicContact CB-CB 4.17Å; L204-N229 WeakPolarHBondContact CB-OD1 3.27Å; L204-N229 WeakPolarHBondContact CD1-OD1 3.32Å; L204-N229 WeakPolarHBondContact CG-OD1 3.36Å; L204-N229 PolarHBondContact N-OD1 3.29Å; S205-N229 PolarHBondContact N-O 3.05Å; L226-N229 VanDerWaalsContact C-ND2 3.33Å; L226-N229 PolarHBondContact O-ND2 2.55Å; N227-N229 PolarHBondContact O-N 2.98Å; N227-N229 PolarHBondContact O-ND2 3.16Å; N229-L231 HydrophobicContact CB-CD1 4.43Å; N229-L231 HydrophobicContact CB-CD2 3.96Å; N229-L231 HydrophobicContact CB-CG 3.85Å; N229-L231 PolarHBondContact O-N 2.82Å; N229-N253 WeakPolarHBondContact CA-OD1 3Å; N229-N253 PolarHBondContact N-OD1 3.46Å |
| 230 | Q | 91.6 | Very high | 91 | Very high | 128 Ų | 128 | 38.3 Ų | 38.3 | 60% | 0.598 | 20% | 0.199 | S | C | * | . | trans | 58.9 | 30 | -177.4 | -52.2 | 178.2 | -5.6 | 0 | 0 | 113.1 | S205 R232 N253 | S205-Q230 WeakPolarHBondContact CB-O 3.28Å; S205-Q230 PolarHBondContact OG-O 3.16Å; Q230-R232 PolarHBondContact O-N 2.89Å; Q230-N253 PolarHBondContact N-OD1 3.38Å | ||
| 231 | L | 91 | Very high | 90.6 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -66.5 | 121.6 | 178.8 | -53.7 | -179.2 | 0 | 0 | 0 | 109.8 | L204 F208 L226 N229 L234 L250 N253 P254 I255 | L204-L231 HydrophobicContact CB-CD2 4.31Å; F208-L231 HydrophobicContact CB-CD2 4.27Å; F208-L231 HydrophobicContact CD1-CD1 4.45Å; F208-L231 HydrophobicContact CD2-CD2 3.8Å; F208-L231 HydrophobicContact CE1-CD1 4.37Å; F208-L231 HydrophobicContact CE2-CD2 4.28Å; F208-L231 HydrophobicContact CG-CD2 3.95Å; F208-L231 HydrophobicContact CZ-CD1 4.46Å; L226-L231 HydrophobicContact CB-CD1 4.35Å; N229-L231 HydrophobicContact CB-CD1 4.43Å; N229-L231 HydrophobicContact CB-CD2 3.96Å; N229-L231 HydrophobicContact CB-CG 3.85Å; N229-L231 PolarHBondContact O-N 2.82Å; L231-L234 HydrophobicContact CD1-CD2 4.08Å; L231-L250 HydrophobicContact CD1-CD2 4.09Å; L231-N253 HydrophobicContact CB-CB 4.04Å; L231-N253 WeakPolarHBondContact CG-OD1 3.22Å; L231-N253 PolarHBondContact N-OD1 2.7Å; L231-P254 CarbonylContact O-C 3.58Å; L231-P254 VanDerWaalsContact O-C 3.29Å; L231-P254 WeakPolarHBondContact O-CD 3.36Å; L231-I255 HydrophobicContact CB-CG1 4.32Å; L231-I255 WeakPolarHBondContact O-CG1 3.34Å; L231-I255 PolarHBondContact O-N 2.91Å | ||
| 232 | R | 85.3 | Confident | 90.4 | Very high | 145 Ų | 145 | 39.3 Ų | 39.3 | 55% | 0.547 | 21% | 0.21 | S | C | . | . | trans | -94 | -30.4 | 177.8 | -67.6 | -173.3 | 179.8 | -141 | 1.7 | 113.3 | Q230 P254 V256 | Q230-R232 PolarHBondContact O-N 2.89Å; R232-P254 HydrophobicContact CG-CG 4.46Å; R232-V256 PolarHBondContact O-N 3.28Å | ||
| 233 | S | 81.4 | Confident | 90 | Very high | 27 Ų | 27 | 38.4 Ų | 38.4 | 19% | 0.189 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -149.5 | 161.8 | 175.4 | 76.6 | 0 | 0 | 0 | 0 | 109.8 | M209 | M209-S233 PolarHBondContact SD-OG 3.18Å |
| 234 | L | 84.9 | Confident | 89.8 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | trans | -119.5 | 112.8 | 172.6 | -63.7 | 174.5 | 0 | 0 | 0 | 107.1 | F208 L231 V238 F239 L250 I255 F258 A262 | F208-L234 HydrophobicContact CD1-CD2 3.63Å; F208-L234 HydrophobicContact CE1-CD2 3.96Å; L231-L234 HydrophobicContact CD1-CD2 4.08Å; L234-V238 HydrophobicContact CB-CG1 4.25Å; L234-F239 HydrophobicContact CD1-CE2 4.1Å; L234-F239 HydrophobicContact CD1-CZ 4.24Å; L234-F239 HydrophobicContact CD2-CZ 4.24Å; L234-L250 HydrophobicContact CD1-CD1 3.87Å; L234-L250 HydrophobicContact CD1-CD2 4.35Å; L234-I255 HydrophobicContact CD1-CD1 4.25Å; L234-F258 HydrophobicContact CD1-CD2 3.78Å; L234-F258 HydrophobicContact CD1-CE2 3.7Å; L234-A262 HydrophobicContact CB-CB 3.86Å | ||
| 235 | P | 76.5 | Confident | 89.8 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 25% | 0.253 | 24% | 0.24 | S | C | . | . | trans | -67.1 | 161.3 | 179.8 | 25.6 | -29.9 | 0 | 0 | 0 | 111.1 | F208 N237 V238 | F208-P235 VanDerWaalsContact O-CG 3.26Å; F208-P235 WeakPolarHBondContact O-CG 3.45Å; P235-N237 PolarHBondContact O-N 3Å; P235-V238 HydrophobicContact CG-CB 3.95Å; P235-V238 HydrophobicContact CG-CG2 4.09Å; P235-V238 WeakPolarHBondContact O-CB 3.41Å; P235-V238 WeakPolarHBondContact O-CG1 3.45Å; P235-V238 PolarHBondContact O-N 3.35Å | ||
| 236 | A | 77.6 | Confident | 89.6 | Confident | 58 Ų | 58 | 46.6 Ų | 46.6 | 48% | 0.479 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 139.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V238 D261 | A236-V238 PolarHBondContact O-N 3.45Å; A236-V238 VanDerWaalsContact O-N 3.11Å; A236-D261 HydrophobicContact CB-CB 4.04Å |
| 237 | N | 79.8 | Confident | 89.6 | Confident | 62 Ų | 62 | 48.2 Ų | 48.2 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 18.7 | 177.3 | -55.3 | -44.7 | 0 | 0 | 0 | 115.6 | P235 F239 Q240 D261 | P235-N237 PolarHBondContact O-N 3Å; N237-F239 PolarHBondContact O-N 3.14Å; N237-F239 VanDerWaalsContact O-N 3.14Å; N237-Q240 HydrophobicContact CB-CB 4.19Å; N237-Q240 WeakPolarHBondContact O-CB 3.21Å; N237-Q240 PolarHBondContact O-N 3.13Å; N237-D261 PolarHBondContact N-O 2.75Å; N237-D261 VanDerWaalsContact N-O 3.13Å |
| 238 | V | 83.7 | Confident | 89.5 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.3 | 179.6 | 69.3 | 0 | 0 | 0 | 0 | 113.3 | F208 L234 P235 A236 | F208-V238 HydrophobicContact CD1-CG2 3.57Å; F208-V238 HydrophobicContact CE1-CG2 3.9Å; F208-V238 HydrophobicContact CG-CG2 4.4Å; L234-V238 HydrophobicContact CB-CG1 4.25Å; P235-V238 HydrophobicContact CG-CB 3.95Å; P235-V238 HydrophobicContact CG-CG2 4.09Å; P235-V238 WeakPolarHBondContact O-CB 3.41Å; P235-V238 WeakPolarHBondContact O-CG1 3.45Å; P235-V238 PolarHBondContact O-N 3.35Å; A236-V238 PolarHBondContact O-N 3.45Å; A236-V238 VanDerWaalsContact O-N 3.11Å |
| 239 | F | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 12.7 | 177.4 | -58.1 | -58.7 | 0 | 0 | 0 | 113.6 | F208 F215 L224 L226 L234 N237 G241 L242 L248 A262 I263 I266 | F208-F239 HydrophobicContact CE1-CE1 4.07Å; F208-F239 HydrophobicContact CE1-CZ 4.33Å; F215-F239 HydrophobicContact CD2-CD1 4.12Å; F215-F239 HydrophobicContact CE2-CD1 4.2Å; F215-F239 HydrophobicContact CE2-CE1 4.17Å; L224-F239 HydrophobicContact CD2-CD1 4.09Å; L224-F239 HydrophobicContact CD2-CE1 3.97Å; L226-F239 HydrophobicContact CD1-CE1 3.93Å; L226-F239 HydrophobicContact CD1-CZ 4.31Å; L234-F239 HydrophobicContact CD1-CE2 4.1Å; L234-F239 HydrophobicContact CD1-CZ 4.24Å; L234-F239 HydrophobicContact CD2-CZ 4.24Å; N237-F239 PolarHBondContact O-N 3.14Å; N237-F239 VanDerWaalsContact O-N 3.14Å; F239-G241 PolarHBondContact O-N 2.77Å; F239-L242 HydrophobicContact CB-CD1 4.08Å; F239-L242 HydrophobicContact CD1-CD1 4.01Å; F239-L242 HydrophobicContact CG-CD1 4.49Å; F239-L242 WeakPolarHBondContact O-CB 3.33Å; F239-L242 WeakPolarHBondContact O-CG 3.4Å; F239-L242 PolarHBondContact O-N 2.79Å; F239-L242 VanDerWaalsContact O-N 3.14Å; F239-L248 HydrophobicContact CD2-CD2 4.47Å; F239-L248 HydrophobicContact CE1-CD1 4.35Å; F239-L248 HydrophobicContact CE2-CD2 3.96Å; F239-L248 HydrophobicContact CZ-CD1 4.33Å; F239-L248 HydrophobicContact CZ-CD2 4.03Å; F239-A262 WeakPolarHBondContact CD2-O 3.25Å; F239-I263 HydrophobicContact CD2-CG2 4.03Å; F239-I263 HydrophobicContact CE2-CG2 4.23Å; F239-I266 HydrophobicContact CB-CD1 3.8Å; F239-I266 HydrophobicContact CB-CG1 4.19Å; F239-I266 HydrophobicContact CB-CG2 4.2Å; F239-I266 HydrophobicContact CD2-CD1 4.36Å; F239-I266 HydrophobicContact CG-CD1 4.27Å; F239-I266 WeakPolarHBondContact O-CG2 3.43Å |
| 240 | Q | 88.4 | Confident | 89.4 | Confident | 95 Ų | 95 | 47.9 Ų | 47.9 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 134.5 | -179.3 | -176.5 | 177 | 7.1 | 0 | 0 | 111.6 | N237 S265 | N237-Q240 HydrophobicContact CB-CB 4.19Å; N237-Q240 WeakPolarHBondContact O-CB 3.21Å; N237-Q240 PolarHBondContact O-N 3.13Å; Q240-S265 PolarHBondContact N-OG 3.15Å |
| 241 | G | 87.7 | Confident | 89.7 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 34% | 0.34 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -11.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S219 F239 S243 | S219-G241 WeakPolarHBondContact CA-O 3.43Å; F239-G241 PolarHBondContact O-N 2.77Å; G241-S243 PolarHBondContact O-N 2.98Å |
| 242 | L | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -83.7 | 53 | 176.6 | -56.8 | -176.8 | 0 | 0 | 0 | 112.5 | F215 L218 L221 L224 F239 R244 L245 I266 | F215-L242 HydrophobicContact CB-CD1 4.04Å; F215-L242 HydrophobicContact CB-CD2 3.87Å; F215-L242 HydrophobicContact CB-CG 3.98Å; F215-L242 HydrophobicContact CD2-CD1 4.33Å; F215-L242 HydrophobicContact CG-CD1 4.19Å; L218-L242 HydrophobicContact CB-CD2 3.57Å; L218-L242 HydrophobicContact CD1-CD2 4.42Å; L221-L242 HydrophobicContact CB-CD2 3.99Å; L221-L242 HydrophobicContact CD2-CD1 4.29Å; L221-L242 HydrophobicContact CD2-CD2 3.72Å; L224-L242 HydrophobicContact CD2-CD1 3.85Å; F239-L242 HydrophobicContact CB-CD1 4.08Å; F239-L242 HydrophobicContact CD1-CD1 4.01Å; F239-L242 HydrophobicContact CG-CD1 4.49Å; F239-L242 WeakPolarHBondContact O-CB 3.33Å; F239-L242 WeakPolarHBondContact O-CG 3.4Å; F239-L242 PolarHBondContact O-N 2.79Å; F239-L242 VanDerWaalsContact O-N 3.14Å; L242-R244 PolarHBondContact O-N 3.15Å; L242-L245 HydrophobicContact CB-CB 4.01Å; L242-L245 HydrophobicContact CD1-CD2 4.06Å; L242-L245 WeakPolarHBondContact O-CB 3.5Å; L242-L245 PolarHBondContact O-N 2.83Å; L242-I266 HydrophobicContact CB-CG2 3.95Å; L242-I266 WeakPolarHBondContact O-CG2 3.33Å | ||
| 243 | S | 90.5 | Very high | 90.5 | Very high | 91 Ų | 91 | 41 Ų | 41 | 64% | 0.636 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -8.9 | -171.8 | 55.8 | 0 | 0 | 0 | 0 | 116.1 | G241 | G241-S243 PolarHBondContact O-N 2.98Š|
| 244 | R | 94.7 | Very high | 91.1 | Very high | 163 Ų | 163 | 42.2 Ų | 42.2 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 9.6 | 179.4 | -68.8 | -174.1 | 177 | 178.1 | -0.6 | 113.1 | S219 L221 L242 D246 | S219-R244 WeakPolarHBondContact O-CD 3.48Å; S219-R244 WeakPolarHBondContact O-CG 3.36Å; L221-R244 CarbonylContact O-C 3.4Å; L242-R244 PolarHBondContact O-N 3.15Å; R244-D246 PolarHBondContact O-N 2.97Å |
| 245 | L | 96.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | trans | -66.4 | 121.6 | -177.3 | -166.7 | 71.3 | 0 | 0 | 0 | 109.9 | L221 L224 L242 L248 I266 | L221-L245 HydrophobicContact CD2-CD1 4.32Å; L221-L245 HydrophobicContact CG-CD1 4.48Å; L221-L245 WeakPolarHBondContact O-CA 3.15Å; L221-L245 PolarHBondContact O-N 2.85Å; L221-L245 VanDerWaalsContact O-N 3.15Å; L224-L245 HydrophobicContact CB-CD1 3.63Å; L242-L245 HydrophobicContact CB-CB 4.01Å; L242-L245 HydrophobicContact CD1-CD2 4.06Å; L242-L245 WeakPolarHBondContact O-CB 3.5Å; L242-L245 PolarHBondContact O-N 2.83Å; L245-L248 HydrophobicContact CD2-CB 4.19Å; L245-L248 HydrophobicContact CD2-CD1 4.44Å; L245-L248 HydrophobicContact CD2-CD2 4.44Å; L245-I266 HydrophobicContact CB-CD1 4.44Å; L245-I266 HydrophobicContact CD2-CD1 3.63Å | ||
| 246 | D | 95.6 | Very high | 92 | Very high | 77 Ų | 77 | 41 Ų | 41 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | trans | -118 | -24.5 | -176.2 | -173.2 | 55.9 | 0 | 0 | 0 | 111.4 | K222 R244 P269 S270 I271 | K222-D246 PolarHBondContact O-N 2.85Å; R244-D246 PolarHBondContact O-N 2.97Å; D246-P269 WeakPolarHBondContact O-CB 3.46Å; D246-S270 PolarHBondContact O-N 2.89Å; D246-S270 VanDerWaalsContact O-N 3.09Å; D246-S270 WeakPolarHBondContact OD1-CB 3.31Å; D246-S270 PolarHBondContact OD1-OG 3.01Å; D246-I271 PolarHBondContact O-N 2.96Å | ||
| 247 | H | 97.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 40 Ų | 40 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 112.5 | -176.5 | -172.3 | 103.8 | 0 | 0 | 0 | 111.2 | K222 V223 L224 Q249 I271 | K222-H247 PolarHBondContact O-N 2.63Å; V223-H247 WeakPolarHBondContact CA-O 3.48Å; V223-H247 HydrophobicContact CB-CB 4.43Å; V223-H247 HydrophobicContact CG1-CB 4.3Å; V223-H247 HydrophobicContact CG2-CB 4.1Å; L224-H247 PolarHBondContact N-O 3.5Å; H247-Q249 WeakPolarHBondContact NE2-CG 3.48Å; H247-Q249 PolarHBondContact NE2-NE2 2.94Å; H247-I271 CarbonylContact C-O 3.58Å; H247-I271 WeakPolarHBondContact CA-O 3.39Å; H247-I271 HydrophobicContact CB-CB 4.34Å; H247-I271 VanDerWaalsContact CE1-CG2 3.44Å; H247-I271 WeakPolarHBondContact CE1-CG2 3.48Å; H247-I271 WeakPolarHBondContact ND1-CB 3.19Å; H247-I271 VanDerWaalsContact ND1-CD1 3.25Å; H247-I271 WeakPolarHBondContact ND1-CD1 3.26Å; H247-I271 VanDerWaalsContact ND1-CG2 3.32Å; H247-I271 WeakPolarHBondContact ND1-CG2 3.24Å |
| 248 | L | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.7 | 178.7 | 179.3 | 56.5 | 0 | 0 | 0 | 110.4 | L224 L226 F239 L245 L250 P269 I271 L272 L273 | L224-L248 HydrophobicContact CB-CD1 4.19Å; L224-L248 HydrophobicContact CD2-CD1 4.09Å; L224-L248 HydrophobicContact CG-CD1 4.11Å; L224-L248 WeakPolarHBondContact O-CA 3.09Å; L226-L248 HydrophobicContact CD1-CD1 4.3Å; F239-L248 HydrophobicContact CD2-CD2 4.47Å; F239-L248 HydrophobicContact CE1-CD1 4.35Å; F239-L248 HydrophobicContact CE2-CD2 3.96Å; F239-L248 HydrophobicContact CZ-CD1 4.33Å; F239-L248 HydrophobicContact CZ-CD2 4.03Å; L245-L248 HydrophobicContact CD2-CB 4.19Å; L245-L248 HydrophobicContact CD2-CD1 4.44Å; L245-L248 HydrophobicContact CD2-CD2 4.44Å; L248-L250 HydrophobicContact CD1-CD2 4.49Å; L248-L250 HydrophobicContact CD1-CG 4.31Å; L248-L250 HydrophobicContact CD2-CD1 4.09Å; L248-L250 HydrophobicContact CG-CD1 4.22Å; L248-L250 HydrophobicContact CG-CG 4.15Å; L248-P269 HydrophobicContact CB-CG 3.97Å; L248-I271 PolarHBondContact N-O 3.01Å; L248-L272 HydrophobicContact CB-CD1 4.29Å; L248-L272 HydrophobicContact CD2-CD1 4.04Å; L248-L272 HydrophobicContact CG-CD1 4.12Å; L248-L272 WeakPolarHBondContact O-CA 3.35Å; L248-L273 PolarHBondContact O-N 2.82Å |
| 249 | Q | 97.4 | Very high | 92.5 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.9 | 174.1 | -52.4 | -170.7 | -28.3 | 0 | 0 | 111.5 | L224 K225 L226 N227 H247 L273 | L224-Q249 PolarHBondContact O-N 3.28Å; K225-Q249 HydrophobicContact CB-CB 4.44Å; K225-Q249 HydrophobicContact CG-CB 4.28Å; K225-Q249 HydrophobicContact CG-CG 4.09Å; L226-Q249 WeakPolarHBondContact CA-O 3.42Å; L226-Q249 PolarHBondContact N-O 2.85Å; N227-Q249 PolarHBondContact ND2-OE1 2.93Å; N227-Q249 VanDerWaalsContact OD1-C 3.29Å; N227-Q249 WeakPolarHBondContact OD1-CB 3.37Å; N227-Q249 PolarHBondContact OD1-O 2.94Å; H247-Q249 WeakPolarHBondContact NE2-CG 3.48Å; H247-Q249 PolarHBondContact NE2-NE2 2.94Å; Q249-L273 HydrophobicContact CB-CB 4.47Å; Q249-L273 HydrophobicContact CG-CB 4.36Å; Q249-L273 HydrophobicContact CG-CD1 4Å; Q249-L273 HydrophobicContact CG-CG 4.34Å |
| 250 | L | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -127.6 | 20.7 | -178.1 | -67.9 | 167.6 | 0 | 0 | 0 | 111.9 | L226 N227 L231 L234 L248 N253 I255 F258 L272 L273 | L226-L250 HydrophobicContact CB-CD2 4.05Å; L226-L250 HydrophobicContact CD1-CD2 4Å; N227-L250 PolarHBondContact OD1-N 3.05Å; L231-L250 HydrophobicContact CD1-CD2 4.09Å; L234-L250 HydrophobicContact CD1-CD1 3.87Å; L234-L250 HydrophobicContact CD1-CD2 4.35Å; L248-L250 HydrophobicContact CD1-CD2 4.49Å; L248-L250 HydrophobicContact CD1-CG 4.31Å; L248-L250 HydrophobicContact CD2-CD1 4.09Å; L248-L250 HydrophobicContact CG-CD1 4.22Å; L248-L250 HydrophobicContact CG-CG 4.15Å; L250-N253 PolarHBondContact O-ND2 3.12Å; L250-I255 HydrophobicContact CB-CD1 4.14Å; L250-I255 HydrophobicContact CD1-CD1 4.29Å; L250-I255 HydrophobicContact CD2-CD1 4.38Å; L250-F258 HydrophobicContact CD1-CE1 4.43Å; L250-F258 HydrophobicContact CD1-CE2 4.41Å; L250-F258 HydrophobicContact CD1-CZ 3.99Å; L250-L272 HydrophobicContact CD1-CD1 4.07Å; L250-L273 WeakPolarHBondContact CA-O 3.38Å; L250-L273 PolarHBondContact N-O 2.01Å | ||
| 251 | L | 97.9 | Very high | 91.8 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 152 | -179 | -59 | 172.7 | 0 | 0 | 0 | 111.4 | N227 G228 N253 L273 N275 P300 | N227-L251 CarbonylContact C-O 3.57Å; N227-L251 WeakPolarHBondContact CA-O 3.24Å; N227-L251 HydrophobicContact CB-CB 4.29Å; N227-L251 WeakPolarHBondContact CB-O 3.33Å; N227-L251 WeakPolarHBondContact OD1-CB 3.46Å; N227-L251 PolarHBondContact OD1-N 2.99Å; G228-L251 PolarHBondContact N-O 2.88Å; L251-N253 PolarHBondContact O-N 2.78Å; L251-N253 PolarHBondContact O-ND2 2.99Å; L251-N253 VanDerWaalsContact O-ND2 3.15Å; L251-L273 HydrophobicContact CD1-CB 4.32Å; L251-L273 HydrophobicContact CD1-CD1 4.44Å; L251-L273 HydrophobicContact CD2-CB 4.04Å; L251-L273 HydrophobicContact CG-CB 4.04Å; L251-N275 VanDerWaalsContact CA-OD1 3.27Å; L251-N275 WeakPolarHBondContact CA-OD1 3.09Å; L251-N275 HydrophobicContact CD2-CB 3.92Å; L251-P300 HydrophobicContact CD1-CB 4.4Å; L251-P300 HydrophobicContact CD1-CG 4.17Å; L251-P300 HydrophobicContact CD2-CB 3.87Å; L251-P300 HydrophobicContact CD2-CG 4.04Å |
| 252 | D | 97.3 | Very high | 91.5 | Very high | 98 Ų | 98 | 40.8 Ų | 40.8 | 52% | 0.524 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 35.1 | 177.3 | -49.1 | -37.7 | 0 | 0 | 0 | 113.3 | G228 N275 | G228-D252 WeakPolarHBondContact CA-O 3.45Å; D252-N275 PolarHBondContact N-OD1 3.48Å; D252-N275 PolarHBondContact OD1-ND2 3.29Å |
| 253 | N | 95.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | trans | -114 | 131 | 169.9 | -70.7 | -70.7 | 0 | 0 | 0 | 110.5 | L226 N229 Q230 L231 L250 L251 I255 | L226-N253 PolarHBondContact O-ND2 2.83Å; N229-N253 WeakPolarHBondContact CA-OD1 3Å; N229-N253 PolarHBondContact N-OD1 3.46Å; Q230-N253 PolarHBondContact N-OD1 3.38Å; L231-N253 HydrophobicContact CB-CB 4.04Å; L231-N253 WeakPolarHBondContact CG-OD1 3.22Å; L231-N253 PolarHBondContact N-OD1 2.7Å; L250-N253 PolarHBondContact O-ND2 3.12Å; L251-N253 PolarHBondContact O-N 2.78Å; L251-N253 PolarHBondContact O-ND2 2.99Å; L251-N253 VanDerWaalsContact O-ND2 3.15Å; N253-I255 HydrophobicContact CB-CD1 3.99Å; N253-I255 HydrophobicContact CB-CG1 3.76Å; N253-I255 PolarHBondContact O-N 3.08Å | ||
| 254 | P | 92.5 | Very high | 90.8 | Very high | 51 Ų | 51 | 39.6 Ų | 39.6 | 33% | 0.331 | 21% | 0.205 | S | C | . | . | trans | -78.1 | 56.1 | 178.8 | 35.5 | -37.3 | 0 | 0 | 0 | 111.5 | L231 R232 V256 K278 | L231-P254 CarbonylContact O-C 3.58Å; L231-P254 VanDerWaalsContact O-C 3.29Å; L231-P254 WeakPolarHBondContact O-CD 3.36Å; R232-P254 HydrophobicContact CG-CG 4.46Å; P254-V256 PolarHBondContact O-N 2.91Å; P254-K278 HydrophobicContact CB-CG 4.02Å | ||
| 255 | I | 91.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -70.7 | 118.6 | -175.1 | -61.4 | 171.6 | 0 | 0 | 0 | 109.4 | L231 L234 L250 N253 V257 F258 I274 S276 K278 | L231-I255 HydrophobicContact CB-CG1 4.32Å; L231-I255 WeakPolarHBondContact O-CG1 3.34Å; L231-I255 PolarHBondContact O-N 2.91Å; L234-I255 HydrophobicContact CD1-CD1 4.25Å; L250-I255 HydrophobicContact CB-CD1 4.14Å; L250-I255 HydrophobicContact CD1-CD1 4.29Å; L250-I255 HydrophobicContact CD2-CD1 4.38Å; N253-I255 HydrophobicContact CB-CD1 3.99Å; N253-I255 HydrophobicContact CB-CG1 3.76Å; N253-I255 PolarHBondContact O-N 3.08Å; I255-V257 WeakPolarHBondContact CG2-O 3.28Å; I255-F258 HydrophobicContact CG2-CB 3.98Å; I255-I274 HydrophobicContact CD1-CD1 4.26Å; I255-S276 PolarHBondContact N-OG 3Å; I255-S276 PolarHBondContact O-OG 3.43Å; I255-K278 CarbonylContact O-C 3.14Å | ||
| 256 | V | 88.9 | Confident | 89.8 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -86.9 | -49.6 | 175.1 | -178 | 0 | 0 | 0 | 0 | 110.5 | R232 P254 K278 L279 L280 E419 L420 | R232-V256 PolarHBondContact O-N 3.28Å; P254-V256 PolarHBondContact O-N 2.91Å; V256-K278 WeakPolarHBondContact CA-O 3.34Å; V256-K278 HydrophobicContact CG2-CB 4.1Å; V256-L279 CarbonylContact O-C 3.52Å; V256-L279 WeakPolarHBondContact O-CA 3.25Å; V256-L280 HydrophobicContact CG1-CB 4.22Å; V256-L280 WeakPolarHBondContact O-CB 3.13Å; V256-L280 PolarHBondContact O-N 3.32Å; V256-E419 WeakPolarHBondContact CG1-O 3.35Å; V256-L420 HydrophobicContact CG1-CD2 3.64Å |
| 257 | V | 84.5 | Confident | 89.3 | Confident | 38 Ų | 38 | 32.9 Ų | 32.9 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -109.9 | 116.7 | -178.7 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | I255 L280 L420 | I255-V257 WeakPolarHBondContact CG2-O 3.28Å; V257-L280 HydrophobicContact CG2-CD2 4.39Å; V257-L420 VanDerWaalsContact CG2-O 3.26Å; V257-L420 WeakPolarHBondContact CG2-O 3.36Å |
| 258 | F | 87.4 | Confident | 88.6 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | trans | -129.7 | 82.1 | 169.4 | -165.7 | -156.6 | 0 | 0 | 0 | 110.3 | L234 L250 I255 A262 I263 L272 I274 L279 W287 L288 | L234-F258 HydrophobicContact CD1-CD2 3.78Å; L234-F258 HydrophobicContact CD1-CE2 3.7Å; L250-F258 HydrophobicContact CD1-CE1 4.43Å; L250-F258 HydrophobicContact CD1-CE2 4.41Å; L250-F258 HydrophobicContact CD1-CZ 3.99Å; I255-F258 HydrophobicContact CG2-CB 3.98Å; F258-A262 HydrophobicContact CD2-CB 4.42Å; F258-A262 HydrophobicContact CE2-CB 4.49Å; F258-I263 HydrophobicContact CE2-CG2 4.05Å; F258-I263 HydrophobicContact CZ-CG2 4.35Å; F258-L272 HydrophobicContact CE1-CD1 4.26Å; F258-L272 HydrophobicContact CE1-CD2 3.92Å; F258-L272 HydrophobicContact CZ-CD1 4.04Å; F258-L272 HydrophobicContact CZ-CD2 4Å; F258-I274 HydrophobicContact CD1-CD1 3.52Å; F258-I274 HydrophobicContact CE1-CD1 3.86Å; F258-I274 HydrophobicContact CG-CD1 4.41Å; F258-L279 HydrophobicContact CB-CD1 3.93Å; F258-W287 HydrophobicContact CD1-CH2 4.18Å; F258-W287 HydrophobicContact CD1-CZ2 4.05Å; F258-W287 HydrophobicContact CD2-CZ2 4.22Å; F258-W287 AromaticContact CE1-CH2 3.59Å; F258-W287 HydrophobicContact CE1-CH2 3.59Å; F258-W287 AromaticContact CE1-CZ2 3.89Å; F258-W287 HydrophobicContact CE1-CZ2 3.89Å; F258-W287 HydrophobicContact CE2-CH2 4.18Å; F258-W287 HydrophobicContact CE2-CZ2 4.06Å; F258-W287 HydrophobicContact CG-CZ2 4.22Å; F258-W287 AromaticContact CZ-CH2 3.58Å; F258-W287 HydrophobicContact CZ-CH2 3.58Å; F258-W287 AromaticContact CZ-CZ2 3.89Å; F258-W287 HydrophobicContact CZ-CZ2 3.89Å; F258-L288 HydrophobicContact CB-CD2 4.48Å; F258-L288 HydrophobicContact CD1-CD1 3.91Å; F258-L288 HydrophobicContact CD1-CD2 3.68Å; F258-L288 HydrophobicContact CD1-CG 4.39Å; F258-L288 HydrophobicContact CE1-CD1 3.82Å; F258-L288 HydrophobicContact CE1-CD2 4.44Å | ||
| 259 | S | 79.5 | Confident | 88.2 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | trans | -89.2 | 161 | 177.9 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | D261 A262 | S259-D261 PolarHBondContact O-N 3.06Å; S259-A262 WeakPolarHBondContact O-CB 3.43Å; S259-A262 PolarHBondContact O-N 2.95Å | ||
| 260 | E | 83.3 | Confident | 87.8 | Confident | 113 Ų | 113 | 38.1 Ų | 38.1 | 53% | 0.528 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.1 | -33.1 | 174.3 | -166.7 | 172.1 | 179.4 | 0 | 0 | 111.9 | A262 I263 S264 W287 | E260-A262 PolarHBondContact O-N 3.05Å; E260-A262 VanDerWaalsContact O-N 3.09Å; E260-I263 CarbonylContact O-C 3.5Å; E260-I263 WeakPolarHBondContact O-CG1 3.28Å; E260-I263 PolarHBondContact O-N 2.93Å; E260-S264 WeakPolarHBondContact O-CB 3.13Å; E260-S264 PolarHBondContact O-N 3.03Å; E260-W287 HydrophobicContact CB-CG 4.31Å; E260-W287 HydrophobicContact CG-CG 4.48Å |
| 261 | D | 81.3 | Confident | 87.6 | Confident | 77 Ų | 77 | 41.5 Ų | 41.5 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.6 | -30 | 178.8 | -54.4 | -37.2 | 0 | 0 | 0 | 113.3 | A236 N237 S259 I263 S264 | A236-D261 HydrophobicContact CB-CB 4.04Å; N237-D261 PolarHBondContact N-O 2.75Å; N237-D261 VanDerWaalsContact N-O 3.13Å; S259-D261 PolarHBondContact O-N 3.06Å; D261-I263 VanDerWaalsContact C-N 3.34Å; D261-S264 PolarHBondContact O-OG 3.01Å |
| 262 | A | 81.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -34.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L234 F239 F258 S259 E260 | L234-A262 HydrophobicContact CB-CB 3.86Å; F239-A262 WeakPolarHBondContact CD2-O 3.25Å; F258-A262 HydrophobicContact CD2-CB 4.42Å; F258-A262 HydrophobicContact CE2-CB 4.49Å; S259-A262 WeakPolarHBondContact O-CB 3.43Å; S259-A262 PolarHBondContact O-N 2.95Å; E260-A262 PolarHBondContact O-N 3.05Å; E260-A262 VanDerWaalsContact O-N 3.09Å |
| 263 | I | 86.6 | Confident | 87.3 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -111.2 | -5.1 | -177.8 | 58.3 | 162.8 | 0 | 0 | 0 | 113.3 | F239 F258 E260 D261 S265 I266 G267 I268 W287 | F239-I263 HydrophobicContact CD2-CG2 4.03Å; F239-I263 HydrophobicContact CE2-CG2 4.23Å; F258-I263 HydrophobicContact CE2-CG2 4.05Å; F258-I263 HydrophobicContact CZ-CG2 4.35Å; E260-I263 CarbonylContact O-C 3.5Å; E260-I263 WeakPolarHBondContact O-CG1 3.28Å; E260-I263 PolarHBondContact O-N 2.93Å; D261-I263 VanDerWaalsContact C-N 3.34Å; I263-S265 PolarHBondContact O-N 3.12Å; I263-S265 VanDerWaalsContact O-N 3.09Å; I263-I266 HydrophobicContact CB-CG1 4.23Å; I263-I266 HydrophobicContact CG2-CD1 4.47Å; I263-I266 CarbonylContact O-C 3.49Å; I263-I266 WeakPolarHBondContact O-CG1 3.47Å; I263-I266 PolarHBondContact O-N 3.17Å; I263-G267 PolarHBondContact O-N 2.94Å; I263-I268 HydrophobicContact CD1-CB 4.47Å; I263-I268 HydrophobicContact CD1-CG1 3.72Å; I263-W287 HydrophobicContact CD1-CD2 4.33Å; I263-W287 HydrophobicContact CD1-CE3 3.99Å; I263-W287 HydrophobicContact CD1-CH2 3.3Å; I263-W287 HydrophobicContact CD1-CZ2 3.69Å; I263-W287 HydrophobicContact CD1-CZ3 3.48Å; I263-W287 VanDerWaalsContact CD1-CZ3 3.48Å; I263-W287 HydrophobicContact CG1-CH2 4.23Å; I263-W287 HydrophobicContact CG1-CZ2 4.21Å |
| 264 | S | 83.2 | Confident | 87.3 | Confident | 65 Ų | 65 | 36.6 Ų | 36.6 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -36.9 | -179.5 | 62.8 | 0 | 0 | 0 | 0 | 113.1 | E260 D261 I266 | E260-S264 WeakPolarHBondContact O-CB 3.13Å; E260-S264 PolarHBondContact O-N 3.03Å; D261-S264 PolarHBondContact O-OG 3.01Å; S264-I266 PolarHBondContact O-N 3.39Å |
| 265 | S | 82.3 | Confident | 87.4 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 30% | 0.301 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -17.2 | 177.1 | 64.7 | 0 | 0 | 0 | 0 | 115.6 | Q240 I263 | Q240-S265 PolarHBondContact N-OG 3.15Å; I263-S265 PolarHBondContact O-N 3.12Å; I263-S265 VanDerWaalsContact O-N 3.09Å |
| 266 | I | 88.8 | Confident | 87.6 | Confident | 33 Ų | 33 | 36 Ų | 36 | 17% | 0.169 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | -11.7 | -176.3 | 56.7 | 159.5 | 0 | 0 | 0 | 113.5 | F239 L242 L245 I263 S264 | F239-I266 HydrophobicContact CB-CD1 3.8Å; F239-I266 HydrophobicContact CB-CG1 4.19Å; F239-I266 HydrophobicContact CB-CG2 4.2Å; F239-I266 HydrophobicContact CD2-CD1 4.36Å; F239-I266 HydrophobicContact CG-CD1 4.27Å; F239-I266 WeakPolarHBondContact O-CG2 3.43Å; L242-I266 HydrophobicContact CB-CG2 3.95Å; L242-I266 WeakPolarHBondContact O-CG2 3.33Å; L245-I266 HydrophobicContact CB-CD1 4.44Å; L245-I266 HydrophobicContact CD2-CD1 3.63Å; I263-I266 HydrophobicContact CB-CG1 4.23Å; I263-I266 HydrophobicContact CG2-CD1 4.47Å; I263-I266 CarbonylContact O-C 3.49Å; I263-I266 WeakPolarHBondContact O-CG1 3.47Å; I263-I266 PolarHBondContact O-N 3.17Å; S264-I266 PolarHBondContact O-N 3.39Å |
| 267 | G | 84.5 | Confident | 87.8 | Confident | 36 Ų | 36 | 38.9 Ų | 38.9 | 37% | 0.371 | 23% | 0.232 | S | C | . | . | trans | 74.1 | 178.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I263 P269 | I263-G267 PolarHBondContact O-N 2.94Å; G267-P269 WeakPolarHBondContact O-CD 3.31Å | ||
| 268 | I | 83.6 | Confident | 88.2 | Confident | 84 Ų | 84 | 42.3 Ų | 42.3 | 43% | 0.431 | 24% | 0.243 | S | C | . | . | trans | -76.7 | 122 | 175.3 | -59.7 | 171.4 | 0 | 0 | 0 | 108.2 | I263 W287 F291 | I263-I268 HydrophobicContact CD1-CB 4.47Å; I263-I268 HydrophobicContact CD1-CG1 3.72Å; I268-W287 HydrophobicContact CD1-CE3 3.78Å; I268-W287 HydrophobicContact CD1-CZ3 4.34Å; I268-W287 HydrophobicContact CG1-CE3 4.06Å; I268-W287 HydrophobicContact CG1-CZ3 4.22Å; I268-F291 HydrophobicContact CG2-CD2 3.5Å; I268-F291 HydrophobicContact CG2-CE2 3.47Å; I268-F291 VanDerWaalsContact CG2-CE2 3.47Å; I268-F291 HydrophobicContact CG2-CG 4.36Å; I268-F291 HydrophobicContact CG2-CZ 4.33Å | ||
| 269 | P | 87.6 | Confident | 88.4 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -69.6 | 152.8 | 176.3 | 29.2 | -33.2 | 0 | 0 | 0 | 110.5 | D246 L248 G267 I271 L272 | D246-P269 WeakPolarHBondContact O-CB 3.46Å; L248-P269 HydrophobicContact CB-CG 3.97Å; G267-P269 WeakPolarHBondContact O-CD 3.31Å; P269-I271 PolarHBondContact O-N 2.81Å; P269-L272 HydrophobicContact CG-CB 4.09Å | ||
| 270 | S | 89.6 | Confident | 88.8 | Confident | 85 Ų | 85 | 41.8 Ų | 41.8 | 59% | 0.594 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -57.6 | -33 | 179.4 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | D246 | D246-S270 PolarHBondContact O-N 2.89Å; D246-S270 VanDerWaalsContact O-N 3.09Å; D246-S270 WeakPolarHBondContact OD1-CB 3.31Å; D246-S270 PolarHBondContact OD1-OG 3.01Å |
| 271 | I | 91.8 | Very high | 89.2 | Confident | 70 Ų | 70 | 36.5 Ų | 36.5 | 36% | 0.359 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 115.7 | 174.4 | -58.3 | 169.2 | 0 | 0 | 0 | 109 | D246 H247 L248 P269 L273 | D246-I271 PolarHBondContact O-N 2.96Å; H247-I271 CarbonylContact C-O 3.58Å; H247-I271 WeakPolarHBondContact CA-O 3.39Å; H247-I271 HydrophobicContact CB-CB 4.34Å; H247-I271 VanDerWaalsContact CE1-CG2 3.44Å; H247-I271 WeakPolarHBondContact CE1-CG2 3.48Å; H247-I271 WeakPolarHBondContact ND1-CB 3.19Å; H247-I271 VanDerWaalsContact ND1-CD1 3.25Å; H247-I271 WeakPolarHBondContact ND1-CD1 3.26Å; H247-I271 VanDerWaalsContact ND1-CG2 3.32Å; H247-I271 WeakPolarHBondContact ND1-CG2 3.24Å; L248-I271 PolarHBondContact N-O 3.01Å; P269-I271 PolarHBondContact O-N 2.81Å; I271-L273 HydrophobicContact CG2-CD2 3.95Å; I271-L273 HydrophobicContact CG2-CG 3.95Å |
| 272 | L | 93.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 113.3 | 170.7 | 169.2 | 65.3 | 0 | 0 | 0 | 109.2 | L248 L250 F258 P269 W287 L288 F291 S301 | L248-L272 HydrophobicContact CB-CD1 4.29Å; L248-L272 HydrophobicContact CD2-CD1 4.04Å; L248-L272 HydrophobicContact CG-CD1 4.12Å; L248-L272 WeakPolarHBondContact O-CA 3.35Å; L250-L272 HydrophobicContact CD1-CD1 4.07Å; F258-L272 HydrophobicContact CE1-CD1 4.26Å; F258-L272 HydrophobicContact CE1-CD2 3.92Å; F258-L272 HydrophobicContact CZ-CD1 4.04Å; F258-L272 HydrophobicContact CZ-CD2 4Å; P269-L272 HydrophobicContact CG-CB 4.09Å; L272-W287 HydrophobicContact CD2-CH2 3.68Å; L272-W287 HydrophobicContact CD2-CZ3 3.72Å; L272-L288 HydrophobicContact CD2-CD1 4.3Å; L272-F291 HydrophobicContact CB-CD1 4.44Å; L272-F291 HydrophobicContact CB-CE1 3.53Å; L272-F291 HydrophobicContact CB-CZ 3.63Å; L272-F291 HydrophobicContact CD2-CD1 4.11Å; L272-F291 HydrophobicContact CD2-CE1 3.99Å; L272-F291 HydrophobicContact CG-CE1 4.05Å; L272-S301 PolarHBondContact O-OG 3.05Å |
| 273 | L | 95.1 | Very high | 90.1 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.9 | 178.3 | -54.6 | -173.7 | 0 | 0 | 0 | 110.5 | L248 Q249 L250 L251 I271 P300 S301 | L248-L273 PolarHBondContact O-N 2.82Å; Q249-L273 HydrophobicContact CB-CB 4.47Å; Q249-L273 HydrophobicContact CG-CB 4.36Å; Q249-L273 HydrophobicContact CG-CD1 4Å; Q249-L273 HydrophobicContact CG-CG 4.34Å; L250-L273 WeakPolarHBondContact CA-O 3.38Å; L250-L273 PolarHBondContact N-O 2.01Å; L251-L273 HydrophobicContact CD1-CB 4.32Å; L251-L273 HydrophobicContact CD1-CD1 4.44Å; L251-L273 HydrophobicContact CD2-CB 4.04Å; L251-L273 HydrophobicContact CG-CB 4.04Å; I271-L273 HydrophobicContact CG2-CD2 3.95Å; I271-L273 HydrophobicContact CG2-CG 3.95Å; L273-P300 HydrophobicContact CD1-CG 4.32Å; L273-P300 HydrophobicContact CD2-CG 4.18Å; L273-S301 WeakPolarHBondContact CA-OG 3.34Å |
| 274 | I | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -144.9 | 145.4 | 179.5 | -177.6 | 168.8 | 0 | 0 | 0 | 109.2 | I255 F258 L288 S301 T304 | I255-I274 HydrophobicContact CD1-CD1 4.26Å; F258-I274 HydrophobicContact CD1-CD1 3.52Å; F258-I274 HydrophobicContact CE1-CD1 3.86Å; F258-I274 HydrophobicContact CG-CD1 4.41Å; I274-L288 HydrophobicContact CG2-CD1 4.34Å; I274-S301 PolarHBondContact N-OG 3.41Å; I274-S301 WeakPolarHBondContact O-CA 3.38Å; I274-T304 PolarHBondContact O-OG1 2.89Å | ||
| 275 | N | 96 | Very high | 90.4 | Very high | 37 Ų | 37 | 38.1 Ų | 38.1 | 20% | 0.198 | 22% | 0.216 | C | C | . | . | trans | -141.3 | 39.6 | 176.7 | 64.9 | -16.6 | 0 | 0 | 0 | 110.9 | L251 D252 S303 | L251-N275 VanDerWaalsContact CA-OD1 3.27Å; L251-N275 WeakPolarHBondContact CA-OD1 3.09Å; L251-N275 HydrophobicContact CD2-CB 3.92Å; D252-N275 PolarHBondContact N-OD1 3.48Å; D252-N275 PolarHBondContact OD1-ND2 3.29Å; N275-S303 WeakPolarHBondContact CB-OG 3.05Å | ||
| 276 | S | 94.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | trans | -70.5 | 139.1 | -177.5 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | I255 K278 T304 T305 | I255-S276 PolarHBondContact N-OG 3Å; I255-S276 PolarHBondContact O-OG 3.43Å; S276-K278 PolarHBondContact OG-N 3.35Å; S276-K278 VanDerWaalsContact OG-N 3.14Å; S276-T304 WeakPolarHBondContact O-CA 3.27Å; S276-T304 WeakPolarHBondContact O-CG2 3.45Å; S276-T305 PolarHBondContact O-N 2.83Å | ||
| 277 | T | 94.6 | Very high | 91 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -110.6 | 12.8 | 171.1 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | T305 | T277-T305 WeakPolarHBondContact CA-OG1 3.48Š|
| 278 | K | 91.8 | Very high | 91.4 | Very high | 109 Ų | 109 | 37.7 Ų | 37.7 | 47% | 0.474 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -114.7 | 6.3 | -176.8 | -61.8 | -59.1 | -179.1 | -174.4 | 0 | 113.2 | P254 I255 V256 S276 | P254-K278 HydrophobicContact CB-CG 4.02Å; I255-K278 CarbonylContact O-C 3.14Å; V256-K278 WeakPolarHBondContact CA-O 3.34Å; V256-K278 HydrophobicContact CG2-CB 4.1Å; S276-K278 PolarHBondContact OG-N 3.35Å; S276-K278 VanDerWaalsContact OG-N 3.14Å |
| 279 | L | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 135.6 | -167.8 | -170.6 | 69.7 | 0 | 0 | 0 | 112.6 | V256 F258 L288 T304 T305 A307 Y308 L317 | V256-L279 CarbonylContact O-C 3.52Å; V256-L279 WeakPolarHBondContact O-CA 3.25Å; F258-L279 HydrophobicContact CB-CD1 3.93Å; L279-L288 HydrophobicContact CD1-CD2 4.36Å; L279-L288 HydrophobicContact CD2-CD2 3.72Å; L279-T304 HydrophobicContact CD2-CG2 4.32Å; L279-T305 WeakPolarHBondContact CB-O 3.38Å; L279-A307 PolarHBondContact O-N 2.77Å; L279-Y308 PolarHBondContact O-N 2.97Å; L279-Y308 VanDerWaalsContact O-N 3.16Å; L279-L317 HydrophobicContact CD2-CD1 3.91Å; L279-L317 HydrophobicContact CD2-CD2 4.24Å |
| 280 | L | 89.2 | Confident | 92.2 | Very high | 11 Ų | 11 | 36 Ų | 36 | 6% | 0.058 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 104.4 | 163.8 | 178.2 | 64.1 | 0 | 0 | 0 | 108.8 | V256 V257 Y308 W331 | V256-L280 HydrophobicContact CG1-CB 4.22Å; V256-L280 WeakPolarHBondContact O-CB 3.13Å; V256-L280 PolarHBondContact O-N 3.32Å; V257-L280 HydrophobicContact CG2-CD2 4.39Å; L280-Y308 VanDerWaalsContact CD1-CB 3.48Å; L280-Y308 HydrophobicContact CD1-CG 4.45Å; L280-W331 HydrophobicContact CD1-CD2 3.88Å; L280-W331 HydrophobicContact CD1-CE3 3.7Å; L280-W331 HydrophobicContact CD1-CH2 3.34Å; L280-W331 HydrophobicContact CD1-CZ2 3.54Å; L280-W331 HydrophobicContact CD1-CZ3 3.42Å; L280-W331 VanDerWaalsContact CD1-CZ3 3.42Å; L280-W331 HydrophobicContact CD2-CD2 4.36Å; L280-W331 HydrophobicContact CG-CZ2 4.48Å |
| 281 | C | 91.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | trans | -91.7 | 109.6 | 179.8 | -71.3 | 0 | 0 | 0 | 0 | 110.5 | S285 C306 Y308 P309 L312 L325 | C281-S285 WeakPolarHBondContact CA-OG 3.31Å; C281-C306 HydrophobicContact CB-CB 3.72Å; C281-C306 WeakPolarHBondContact CB-SG 3.44Å; C281-C306 WeakPolarHBondContact SG-CA 3.18Å; C281-C306 WeakPolarHBondContact SG-CB 3.41Å; C281-C306 CovalentContact SG-SG 2.02Å; C281-C306 PolarHBondContact SG-SG 3.48Å; C281-Y308 WeakPolarHBondContact CB-O 3.34Å; C281-Y308 PolarHBondContact N-O 2.92Å; C281-P309 WeakPolarHBondContact O-CD 3.2Å; C281-L312 HydrophobicContact CB-CD1 4.03Å; C281-L325 HydrophobicContact CB-CD2 3.65Å | ||
| 282 | N | 90.7 | Very high | 92.3 | Very high | 20 Ų | 20 | 30 Ų | 30 | 11% | 0.107 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -147.7 | -172.9 | -179.3 | 68 | 17 | 0 | 0 | 0 | 110.5 | K284 S285 L325 T326 W331 | N282-K284 PolarHBondContact O-N 3.01Å; N282-K284 WeakPolarHBondContact OD1-CA 3.36Å; N282-K284 VanDerWaalsContact OD1-CB 3.31Å; N282-K284 WeakPolarHBondContact OD1-CB 3.34Å; N282-K284 PolarHBondContact OD1-N 3.36Å; N282-S285 PolarHBondContact N-OG 2.86Å; N282-S285 VanDerWaalsContact N-OG 3.07Å; N282-S285 PolarHBondContact O-N 3.38Å; N282-S285 PolarHBondContact O-OG 2.87Å; N282-S285 PolarHBondContact OD1-N 3.36Å; N282-L325 WeakPolarHBondContact O-CB 3.48Å; N282-T326 WeakPolarHBondContact CA-O 3.42Å; N282-T326 WeakPolarHBondContact CB-O 3.46Å; N282-W331 HydrophobicContact CB-CZ2 4.46Å |
| 283 | C | 90.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 28% | 0.277 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -60 | -21.1 | -177.8 | 86.4 | 0 | 0 | 0 | 0 | 114.4 | K286 L325 T326 C327 | C283-K286 WeakPolarHBondContact O-CG 3.41Å; C283-L325 WeakPolarHBondContact CA-O 3.44Å; C283-L325 WeakPolarHBondContact CB-O 3.48Å; C283-T326 PolarHBondContact N-O 2.98Å; C283-C327 HydrophobicContact CB-CB 3.92Å; C283-C327 WeakPolarHBondContact CB-SG 3.29Å; C283-C327 WeakPolarHBondContact SG-CB 3.49Å; C283-C327 CovalentContact SG-SG 2.02Å; C283-C327 PolarHBondContact SG-SG 3.07Å |
| 284 | K | 87.4 | Confident | 92.1 | Very high | 115 Ų | 115 | 39.9 Ų | 39.9 | 50% | 0.5 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -82.8 | -12.5 | 177.6 | -60.5 | -66 | -172.8 | 172 | 0 | 113.9 | N282 | N282-K284 PolarHBondContact O-N 3.01Å; N282-K284 WeakPolarHBondContact OD1-CA 3.36Å; N282-K284 VanDerWaalsContact OD1-CB 3.31Å; N282-K284 WeakPolarHBondContact OD1-CB 3.34Å; N282-K284 PolarHBondContact OD1-N 3.36Å |
| 285 | S | 89.6 | Confident | 91.8 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -102 | 7.1 | 175.7 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | C281 N282 W287 L288 V289 | C281-S285 WeakPolarHBondContact CA-OG 3.31Å; N282-S285 PolarHBondContact N-OG 2.86Å; N282-S285 VanDerWaalsContact N-OG 3.07Å; N282-S285 PolarHBondContact O-N 3.38Å; N282-S285 PolarHBondContact O-OG 2.87Å; N282-S285 PolarHBondContact OD1-N 3.36Å; S285-W287 VanDerWaalsContact C-N 3.3Å; S285-W287 PolarHBondContact O-N 3.17Å; S285-L288 WeakPolarHBondContact O-CB 3.47Å; S285-L288 PolarHBondContact O-N 3.13Å; S285-V289 PolarHBondContact O-N 2.83Å |
| 286 | K | 92.4 | Very high | 91.4 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 34% | 0.339 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -54.3 | -44.5 | -179.4 | -73.6 | -174.6 | 171.8 | -172.1 | 0 | 112.8 | C283 L288 V289 V290 I322 L325 | C283-K286 WeakPolarHBondContact O-CG 3.41Å; K286-L288 PolarHBondContact O-N 2.89Å; K286-V289 PolarHBondContact O-N 3.21Å; K286-V290 PolarHBondContact O-N 2.71Å; K286-V290 VanDerWaalsContact O-N 3.16Å; K286-I322 HydrophobicContact CB-CG2 4.17Å; K286-I322 HydrophobicContact CD-CG2 3.7Å; K286-I322 WeakPolarHBondContact CE-O 3.45Å; K286-I322 HydrophobicContact CG-CG2 3.79Å; K286-L325 HydrophobicContact CB-CD1 4.31Å; K286-L325 WeakPolarHBondContact CE-O 3.46Å; K286-L325 HydrophobicContact CG-CB 3.93Å; K286-L325 HydrophobicContact CG-CD1 3.72Å |
| 287 | W | 91.4 | Very high | 91.1 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.7 | -37.7 | 178.5 | 74.2 | -90.3 | 0 | 0 | 0 | 112 | F258 E260 I263 I268 L272 S285 V290 F291 | F258-W287 HydrophobicContact CD1-CH2 4.18Å; F258-W287 HydrophobicContact CD1-CZ2 4.05Å; F258-W287 HydrophobicContact CD2-CZ2 4.22Å; F258-W287 AromaticContact CE1-CH2 3.59Å; F258-W287 HydrophobicContact CE1-CH2 3.59Å; F258-W287 AromaticContact CE1-CZ2 3.89Å; F258-W287 HydrophobicContact CE1-CZ2 3.89Å; F258-W287 HydrophobicContact CE2-CH2 4.18Å; F258-W287 HydrophobicContact CE2-CZ2 4.06Å; F258-W287 HydrophobicContact CG-CZ2 4.22Å; F258-W287 AromaticContact CZ-CH2 3.58Å; F258-W287 HydrophobicContact CZ-CH2 3.58Å; F258-W287 AromaticContact CZ-CZ2 3.89Å; F258-W287 HydrophobicContact CZ-CZ2 3.89Å; E260-W287 HydrophobicContact CB-CG 4.31Å; E260-W287 HydrophobicContact CG-CG 4.48Å; I263-W287 HydrophobicContact CD1-CD2 4.33Å; I263-W287 HydrophobicContact CD1-CE3 3.99Å; I263-W287 HydrophobicContact CD1-CH2 3.3Å; I263-W287 HydrophobicContact CD1-CZ2 3.69Å; I263-W287 HydrophobicContact CD1-CZ3 3.48Å; I263-W287 VanDerWaalsContact CD1-CZ3 3.48Å; I263-W287 HydrophobicContact CG1-CH2 4.23Å; I263-W287 HydrophobicContact CG1-CZ2 4.21Å; I268-W287 HydrophobicContact CD1-CE3 3.78Å; I268-W287 HydrophobicContact CD1-CZ3 4.34Å; I268-W287 HydrophobicContact CG1-CE3 4.06Å; I268-W287 HydrophobicContact CG1-CZ3 4.22Å; L272-W287 HydrophobicContact CD2-CH2 3.68Å; L272-W287 HydrophobicContact CD2-CZ3 3.72Å; S285-W287 VanDerWaalsContact C-N 3.3Å; S285-W287 PolarHBondContact O-N 3.17Å; W287-V290 PolarHBondContact O-N 2.74Å; W287-F291 HydrophobicContact CE3-CB 4.4Å; W287-F291 VanDerWaalsContact O-CB 3.31Å; W287-F291 WeakPolarHBondContact O-CB 3.44Å; W287-F291 PolarHBondContact O-N 2.86Å |
| 288 | L | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.3 | -38 | -177.5 | -178.6 | 65 | 0 | 0 | 0 | 111.1 | F258 L272 I274 L279 S285 K286 F291 V292 L317 | F258-L288 HydrophobicContact CB-CD2 4.48Å; F258-L288 HydrophobicContact CD1-CD1 3.91Å; F258-L288 HydrophobicContact CD1-CD2 3.68Å; F258-L288 HydrophobicContact CD1-CG 4.39Å; F258-L288 HydrophobicContact CE1-CD1 3.82Å; F258-L288 HydrophobicContact CE1-CD2 4.44Å; L272-L288 HydrophobicContact CD2-CD1 4.3Å; I274-L288 HydrophobicContact CG2-CD1 4.34Å; L279-L288 HydrophobicContact CD1-CD2 4.36Å; L279-L288 HydrophobicContact CD2-CD2 3.72Å; S285-L288 WeakPolarHBondContact O-CB 3.47Å; S285-L288 PolarHBondContact O-N 3.13Å; K286-L288 PolarHBondContact O-N 2.89Å; L288-F291 PolarHBondContact O-N 3.38Å; L288-V292 HydrophobicContact CD1-CG2 4.18Å; L288-V292 HydrophobicContact CG-CG2 4.45Å; L288-V292 WeakPolarHBondContact O-CB 3.38Å; L288-V292 VanDerWaalsContact O-CG2 3.3Å; L288-V292 WeakPolarHBondContact O-CG2 3.42Å; L288-V292 PolarHBondContact O-N 2.97Å; L288-L317 HydrophobicContact CD2-CD1 3.9Å; L288-L317 HydrophobicContact CG-CD1 3.91Å |
| 289 | V | 94 | Very high | 91 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -49.7 | 174.7 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | S285 K286 F291 V292 Q293 L317 L320 I322 L325 | S285-V289 PolarHBondContact O-N 2.83Å; K286-V289 PolarHBondContact O-N 3.21Å; V289-F291 VanDerWaalsContact C-N 3.29Å; V289-F291 PolarHBondContact O-N 2.82Å; V289-V292 PolarHBondContact O-N 3.25Å; V289-Q293 HydrophobicContact CG1-CG 4.44Å; V289-Q293 VanDerWaalsContact CG1-NE2 3.32Å; V289-Q293 WeakPolarHBondContact O-CB 3.04Å; V289-Q293 VanDerWaalsContact O-CG 3.24Å; V289-Q293 WeakPolarHBondContact O-CG 3.5Å; V289-Q293 PolarHBondContact O-N 3.02Å; V289-L317 HydrophobicContact CG2-CB 4.38Å; V289-L317 HydrophobicContact CG2-CD1 4.4Å; V289-L317 HydrophobicContact CG2-CD2 4.04Å; V289-L317 HydrophobicContact CG2-CG 4.49Å; V289-L320 HydrophobicContact CG1-CB 4.35Å; V289-L320 HydrophobicContact CG2-CD2 4.16Å; V289-I322 HydrophobicContact CG1-CG1 4.08Å; V289-L325 HydrophobicContact CB-CD1 4.41Å; V289-L325 HydrophobicContact CG2-CD1 3.78Å |
| 290 | V | 92.7 | Very high | 91.1 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.2 | -47 | 176 | 176 | 0 | 0 | 0 | 0 | 110.7 | K286 W287 Q293 Q294 I322 | K286-V290 PolarHBondContact O-N 2.71Å; K286-V290 VanDerWaalsContact O-N 3.16Å; W287-V290 PolarHBondContact O-N 2.74Å; V290-Q293 PolarHBondContact O-N 3.42Å; V290-Q294 WeakPolarHBondContact O-CG 3.13Å; V290-Q294 PolarHBondContact O-N 3.02Å; V290-I322 HydrophobicContact CG2-CD1 3.38Å; V290-I322 HydrophobicContact CG2-CG1 4.39Å |
| 291 | F | 91.6 | Very high | 91.3 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -51.7 | -179.6 | -179.9 | -95.4 | 0 | 0 | 0 | 111.8 | I268 L272 W287 L288 V289 Q293 Q294 L295 | I268-F291 HydrophobicContact CG2-CD2 3.5Å; I268-F291 HydrophobicContact CG2-CE2 3.47Å; I268-F291 VanDerWaalsContact CG2-CE2 3.47Å; I268-F291 HydrophobicContact CG2-CG 4.36Å; I268-F291 HydrophobicContact CG2-CZ 4.33Å; L272-F291 HydrophobicContact CB-CD1 4.44Å; L272-F291 HydrophobicContact CB-CE1 3.53Å; L272-F291 HydrophobicContact CB-CZ 3.63Å; L272-F291 HydrophobicContact CD2-CD1 4.11Å; L272-F291 HydrophobicContact CD2-CE1 3.99Å; L272-F291 HydrophobicContact CG-CE1 4.05Å; W287-F291 HydrophobicContact CE3-CB 4.4Å; W287-F291 VanDerWaalsContact O-CB 3.31Å; W287-F291 WeakPolarHBondContact O-CB 3.44Å; W287-F291 PolarHBondContact O-N 2.86Å; L288-F291 PolarHBondContact O-N 3.38Å; V289-F291 VanDerWaalsContact C-N 3.29Å; V289-F291 PolarHBondContact O-N 2.82Å; F291-Q293 VanDerWaalsContact C-N 3.3Å; F291-Q293 PolarHBondContact O-N 3.02Å; F291-Q294 PolarHBondContact O-N 3.46Å; F291-Q294 VanDerWaalsContact O-N 3.13Å; F291-L295 HydrophobicContact CD1-CD1 4.15Å; F291-L295 HydrophobicContact CD1-CG 4.47Å; F291-L295 HydrophobicContact CE1-CD1 3.74Å; F291-L295 HydrophobicContact CE1-CD2 3.94Å; F291-L295 HydrophobicContact CE1-CG 4.12Å; F291-L295 HydrophobicContact CZ-CD2 3.92Å |
| 292 | V | 92.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -34.6 | -178 | 171.2 | 0 | 0 | 0 | 0 | 112 | L288 V289 Q294 L295 S301 L317 T318 | L288-V292 HydrophobicContact CD1-CG2 4.18Å; L288-V292 HydrophobicContact CG-CG2 4.45Å; L288-V292 WeakPolarHBondContact O-CB 3.38Å; L288-V292 VanDerWaalsContact O-CG2 3.3Å; L288-V292 WeakPolarHBondContact O-CG2 3.42Å; L288-V292 PolarHBondContact O-N 2.97Å; V289-V292 PolarHBondContact O-N 3.25Å; V292-Q294 PolarHBondContact O-N 2.98Å; V292-L295 HydrophobicContact CG2-CD1 4.49Å; V292-L295 WeakPolarHBondContact O-CB 2.92Å; V292-L295 PolarHBondContact O-N 2.82Å; V292-S301 WeakPolarHBondContact CG1-O 3.15Å; V292-L317 HydrophobicContact CB-CB 4.35Å; V292-L317 HydrophobicContact CG1-CB 4.17Å; V292-L317 HydrophobicContact CG2-CD1 4.39Å; V292-T318 HydrophobicContact CG1-CG2 3.78Å |
| 293 | Q | 93.6 | Very high | 91.6 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.2 | -22.9 | 176.7 | -75 | 173.2 | -5.8 | 0 | 0 | 113.6 | V289 V290 F291 L317 L320 | V289-Q293 HydrophobicContact CG1-CG 4.44Å; V289-Q293 VanDerWaalsContact CG1-NE2 3.32Å; V289-Q293 WeakPolarHBondContact O-CB 3.04Å; V289-Q293 VanDerWaalsContact O-CG 3.24Å; V289-Q293 WeakPolarHBondContact O-CG 3.5Å; V289-Q293 PolarHBondContact O-N 3.02Å; V290-Q293 PolarHBondContact O-N 3.42Å; F291-Q293 VanDerWaalsContact C-N 3.3Å; F291-Q293 PolarHBondContact O-N 3.02Å; Q293-L317 PolarHBondContact NE2-O 3.21Å; Q293-L320 PolarHBondContact NE2-O 3.2Å |
| 294 | Q | 91 | Very high | 91.9 | Very high | 153 Ų | 153 | 50.3 Ų | 50.3 | 72% | 0.715 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -9.1 | 176.9 | -68.9 | 175.5 | -3.3 | 0 | 0 | 113.2 | V290 F291 V292 | V290-Q294 WeakPolarHBondContact O-CG 3.13Å; V290-Q294 PolarHBondContact O-N 3.02Å; F291-Q294 PolarHBondContact O-N 3.46Å; F291-Q294 VanDerWaalsContact O-N 3.13Å; V292-Q294 PolarHBondContact O-N 2.98Å |
| 295 | L | 88.3 | Confident | 92.3 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -77.5 | 157.3 | 179 | -62.2 | 175.4 | 0 | 0 | 0 | 111.7 | F291 V292 S301 | F291-L295 HydrophobicContact CD1-CD1 4.15Å; F291-L295 HydrophobicContact CD1-CG 4.47Å; F291-L295 HydrophobicContact CE1-CD1 3.74Å; F291-L295 HydrophobicContact CE1-CD2 3.94Å; F291-L295 HydrophobicContact CE1-CG 4.12Å; F291-L295 HydrophobicContact CZ-CD2 3.92Å; V292-L295 HydrophobicContact CG2-CD1 4.49Å; V292-L295 WeakPolarHBondContact O-CB 2.92Å; V292-L295 PolarHBondContact O-N 2.82Å; L295-S301 VanDerWaalsContact CD1-CB 3.49Å |
| 296 | D | 88 | Confident | 92.5 | Very high | 97 Ų | 97 | 45.8 Ų | 45.8 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | trans | -52.8 | 130.3 | 165.9 | -179.9 | -9.8 | 0 | 0 | 0 | 110 | T298 S299 | D296-T298 PolarHBondContact O-N 3.27Å; D296-T298 PolarHBondContact OD1-N 3.37Å; D296-T298 PolarHBondContact OD1-OG1 3.22Å; D296-T298 PolarHBondContact OD2-OG1 3.46Å; D296-S299 WeakPolarHBondContact O-CB 3.17Å; D296-S299 PolarHBondContact O-N 3.41Å | ||
| 297 | P | 87.6 | Confident | 92.5 | Very high | 112 Ų | 112 | 42.7 Ų | 42.7 | 73% | 0.727 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -23.1 | 174.2 | -27.9 | 34.8 | 0 | 0 | 0 | 115.3 | S299 | P297-S299 VanDerWaalsContact C-N 3.26Š|
| 298 | T | 90.1 | Very high | 92.3 | Very high | 117 Ų | 117 | 45.2 Ų | 45.2 | 72% | 0.718 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -9.6 | 175.3 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | D296 | D296-T298 PolarHBondContact O-N 3.27Å; D296-T298 PolarHBondContact OD1-N 3.37Å; D296-T298 PolarHBondContact OD1-OG1 3.22Å; D296-T298 PolarHBondContact OD2-OG1 3.46Å |
| 299 | S | 93.4 | Very high | 92.1 | Very high | 20 Ų | 20 | 46 Ų | 46 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -59.6 | 136.9 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | D296 P297 S301 A302 | D296-S299 WeakPolarHBondContact O-CB 3.17Å; D296-S299 PolarHBondContact O-N 3.41Å; P297-S299 VanDerWaalsContact C-N 3.26Å; S299-S301 PolarHBondContact O-N 3.22Å; S299-S301 WeakPolarHBondContact OG-CB 3.25Å; S299-S301 PolarHBondContact OG-N 2.72Å; S299-A302 VanDerWaalsContact O-CB 3.3Å; S299-A302 WeakPolarHBondContact O-CB 3.46Å; S299-A302 PolarHBondContact O-N 2.88Å |
| 300 | P | 94 | Very high | 91.8 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -57.6 | -22.3 | 172.9 | 25.5 | -34.5 | 0 | 0 | 0 | 112 | L251 L273 A302 S303 | L251-P300 HydrophobicContact CD1-CB 4.4Å; L251-P300 HydrophobicContact CD1-CG 4.17Å; L251-P300 HydrophobicContact CD2-CB 3.87Å; L251-P300 HydrophobicContact CD2-CG 4.04Å; L273-P300 HydrophobicContact CD1-CG 4.32Å; L273-P300 HydrophobicContact CD2-CG 4.18Å; P300-A302 PolarHBondContact O-N 2.92Å; P300-S303 PolarHBondContact O-N 2.87Å; P300-S303 VanDerWaalsContact O-N 3.16Å; P300-S303 PolarHBondContact O-OG 2.86Å |
| 301 | S | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -62.5 | -22.8 | 175 | -57.9 | 0 | 0 | 0 | 0 | 115.4 | L272 L273 I274 V292 L295 S299 S303 T304 | L272-S301 PolarHBondContact O-OG 3.05Å; L273-S301 WeakPolarHBondContact CA-OG 3.34Å; I274-S301 PolarHBondContact N-OG 3.41Å; I274-S301 WeakPolarHBondContact O-CA 3.38Å; V292-S301 WeakPolarHBondContact CG1-O 3.15Å; L295-S301 VanDerWaalsContact CD1-CB 3.49Å; S299-S301 PolarHBondContact O-N 3.22Å; S299-S301 WeakPolarHBondContact OG-CB 3.25Å; S299-S301 PolarHBondContact OG-N 2.72Å; S301-S303 PolarHBondContact O-N 3.48Å; S301-T304 WeakPolarHBondContact O-CB 3.42Å; S301-T304 PolarHBondContact O-N 3.42Å; S301-T304 VanDerWaalsContact O-N 3.17Å; S301-T304 PolarHBondContact O-OG1 3.14Å |
| 302 | A | 92.8 | Very high | 91.8 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.4 | -23.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | S299 P300 T304 M316 T318 | S299-A302 VanDerWaalsContact O-CB 3.3Å; S299-A302 WeakPolarHBondContact O-CB 3.46Å; S299-A302 PolarHBondContact O-N 2.88Å; P300-A302 PolarHBondContact O-N 2.92Å; A302-T304 VanDerWaalsContact C-N 3.31Å; A302-T304 PolarHBondContact O-N 2.94Å; A302-M316 WeakPolarHBondContact O-CE 3.37Å; A302-T318 HydrophobicContact CB-CG2 3.97Å |
| 303 | S | 94.7 | Very high | 91.8 | Very high | 58 Ų | 58 | 58 Ų | 58 | 41% | 0.406 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -81.7 | -0.9 | 179.3 | 67.8 | 0 | 0 | 0 | 0 | 115 | N275 P300 S301 | N275-S303 WeakPolarHBondContact CB-OG 3.05Å; P300-S303 PolarHBondContact O-N 2.87Å; P300-S303 VanDerWaalsContact O-N 3.16Å; P300-S303 PolarHBondContact O-OG 2.86Å; S301-S303 PolarHBondContact O-N 3.48Å |
| 304 | T | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -69.1 | 130.8 | 179.2 | -55 | 0 | 0 | 0 | 0 | 111 | I274 S276 L279 S301 A302 L317 | I274-T304 PolarHBondContact O-OG1 2.89Å; S276-T304 WeakPolarHBondContact O-CA 3.27Å; S276-T304 WeakPolarHBondContact O-CG2 3.45Å; L279-T304 HydrophobicContact CD2-CG2 4.32Å; S301-T304 WeakPolarHBondContact O-CB 3.42Å; S301-T304 PolarHBondContact O-N 3.42Å; S301-T304 VanDerWaalsContact O-N 3.17Å; S301-T304 PolarHBondContact O-OG1 3.14Å; A302-T304 VanDerWaalsContact C-N 3.31Å; A302-T304 PolarHBondContact O-N 2.94Å; T304-L317 HydrophobicContact CG2-CD1 3.56Å; T304-L317 HydrophobicContact CG2-CG 3.96Å; T304-L317 PolarHBondContact O-N 2.92Å; T304-L317 VanDerWaalsContact O-N 3.09Å | ||
| 305 | T | 96.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 14% | 0.135 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -130.1 | 154.2 | -179.5 | 62.5 | 0 | 0 | 0 | 0 | 113 | S276 T277 L279 K315 M316 | S276-T305 PolarHBondContact O-N 2.83Å; T277-T305 WeakPolarHBondContact CA-OG1 3.48Å; L279-T305 WeakPolarHBondContact CB-O 3.38Å; T305-K315 VanDerWaalsContact CA-O 3.22Å; T305-K315 WeakPolarHBondContact CA-O 3.15Å; T305-K315 WeakPolarHBondContact CB-O 3.45Å; T305-M316 HydrophobicContact CG2-CG 3.96Å |
| 306 | C | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 138.1 | 169.5 | -56.5 | 0 | 0 | 0 | 0 | 110.5 | C281 L312 N313 G314 K315 L317 L320 | C281-C306 HydrophobicContact CB-CB 3.72Å; C281-C306 WeakPolarHBondContact CB-SG 3.44Å; C281-C306 WeakPolarHBondContact SG-CA 3.18Å; C281-C306 WeakPolarHBondContact SG-CB 3.41Å; C281-C306 CovalentContact SG-SG 2.02Å; C281-C306 PolarHBondContact SG-SG 3.48Å; C306-L312 HydrophobicContact CB-CB 3.89Å; C306-L312 WeakPolarHBondContact CB-O 3.25Å; C306-N313 CarbonylContact O-C 3.52Å; C306-N313 WeakPolarHBondContact O-CA 3.08Å; C306-G314 PolarHBondContact O-N 3Å; C306-K315 PolarHBondContact N-O 3.28Å; C306-L317 VanDerWaalsContact SG-CD2 3.56Å; C306-L320 VanDerWaalsContact SG-CD2 3.54Å |
| 307 | A | 91.8 | Very high | 92.9 | Very high | 12 Ų | 12 | 51.3 Ų | 51.3 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -31.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L279 | L279-A307 PolarHBondContact O-N 2.77Å |
| 308 | Y | 87.3 | Confident | 93.2 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 31% | 0.306 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.9 | -179.7 | -63.8 | -85.9 | 0 | 0 | 0 | 111.2 | L279 L280 C281 L420 | L279-Y308 PolarHBondContact O-N 2.97Å; L279-Y308 VanDerWaalsContact O-N 3.16Å; L280-Y308 VanDerWaalsContact CD1-CB 3.48Å; L280-Y308 HydrophobicContact CD1-CG 4.45Å; C281-Y308 WeakPolarHBondContact CB-O 3.34Å; C281-Y308 PolarHBondContact N-O 2.92Å; Y308-L420 HydrophobicContact CD2-CD2 4.29Å; Y308-L420 HydrophobicContact CE2-CD2 4.46Å |
| 309 | P | 89 | Confident | 93.3 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | S | Bend | cis | -59.1 | 164 | -11.2 | 25.3 | -33.9 | 0 | 0 | 0 | 111.7 | C281 S311 L312 N313 W331 | C281-P309 WeakPolarHBondContact O-CD 3.2Å; P309-S311 WeakPolarHBondContact CG-OG 3.3Å; P309-S311 PolarHBondContact O-N 2.7Å; P309-S311 VanDerWaalsContact O-N 3.1Å; P309-L312 HydrophobicContact CG-CB 4.41Å; P309-L312 HydrophobicContact CG-CD1 4.19Å; P309-L312 HydrophobicContact CG-CG 4Å; P309-L312 PolarHBondContact O-N 2.9Å; P309-N313 PolarHBondContact O-N 2.72Å; P309-W331 HydrophobicContact CB-CH2 3.87Å; P309-W331 HydrophobicContact CG-CH2 4.41Å |
| 310 | T | 86.8 | Confident | 93.4 | Very high | 119 Ų | 119 | 49.7 Ų | 49.7 | 73% | 0.73 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -55.4 | -29.9 | -179.1 | 46.7 | 0 | 0 | 0 | 0 | 112.8 | L312 N313 | T310-L312 PolarHBondContact O-N 3.09Å; T310-N313 WeakPolarHBondContact O-CB 3.32Å; T310-N313 PolarHBondContact O-N 2.87Å |
| 311 | S | 91.1 | Very high | 93.4 | Very high | 89 Ų | 89 | 49.9 Ų | 49.9 | 62% | 0.622 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -62.8 | -25.4 | 173.5 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | P309 | P309-S311 WeakPolarHBondContact CG-OG 3.3Å; P309-S311 PolarHBondContact O-N 2.7Å; P309-S311 VanDerWaalsContact O-N 3.1Å |
| 312 | L | 93.4 | Very high | 93.4 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -102.7 | 2.4 | 178.4 | -61 | -171.6 | 0 | 0 | 0 | 113.4 | C281 C306 P309 T310 G314 K315 L320 L324 L325 | C281-L312 HydrophobicContact CB-CD1 4.03Å; C306-L312 HydrophobicContact CB-CB 3.89Å; C306-L312 WeakPolarHBondContact CB-O 3.25Å; P309-L312 HydrophobicContact CG-CB 4.41Å; P309-L312 HydrophobicContact CG-CD1 4.19Å; P309-L312 HydrophobicContact CG-CG 4Å; P309-L312 PolarHBondContact O-N 2.9Å; T310-L312 PolarHBondContact O-N 3.09Å; L312-G314 PolarHBondContact O-N 2.98Å; L312-K315 VanDerWaalsContact O-CB 3.27Å; L312-K315 WeakPolarHBondContact O-CB 3.43Å; L312-K315 VanDerWaalsContact O-CG 3.28Å; L312-K315 WeakPolarHBondContact O-CG 3.47Å; L312-K315 PolarHBondContact O-N 3.26Å; L312-L320 HydrophobicContact CD1-CD1 4.29Å; L312-L320 HydrophobicContact CD1-CD2 4.44Å; L312-L320 HydrophobicContact CD2-CD1 3.97Å; L312-L324 HydrophobicContact CD2-CB 4.24Å; L312-L324 HydrophobicContact CD2-CD1 4.16Å; L312-L325 HydrophobicContact CD1-CD2 4.1Å |
| 313 | N | 93.1 | Very high | 93.4 | Very high | 114 Ų | 114 | 58 Ų | 58 | 61% | 0.61 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 127.2 | -175.8 | -175.2 | 23.4 | 0 | 0 | 0 | 112.5 | C306 P309 T310 K315 | C306-N313 CarbonylContact O-C 3.52Å; C306-N313 WeakPolarHBondContact O-CA 3.08Å; P309-N313 PolarHBondContact O-N 2.72Å; T310-N313 WeakPolarHBondContact O-CB 3.32Å; T310-N313 PolarHBondContact O-N 2.87Å; N313-K315 VanDerWaalsContact C-N 3.27Å; N313-K315 PolarHBondContact O-N 3.18Å |
| 314 | G | 95.5 | Very high | 93.3 | Very high | 45 Ų | 45 | 60 Ų | 60 | 46% | 0.464 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -3.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C306 L312 M316 | C306-G314 PolarHBondContact O-N 3Å; L312-G314 PolarHBondContact O-N 2.98Å; G314-M316 PolarHBondContact O-N 3.37Å |
| 315 | K | 96.1 | Very high | 93.2 | Very high | 120 Ų | 120 | 60 Ų | 60 | 52% | 0.522 | 33% | 0.334 | S | S | . | . | trans | -70.1 | 127.9 | 178.6 | -64.4 | -69.1 | -176.7 | 177.8 | 0 | 110.8 | T305 C306 L312 N313 L320 | T305-K315 VanDerWaalsContact CA-O 3.22Å; T305-K315 WeakPolarHBondContact CA-O 3.15Å; T305-K315 WeakPolarHBondContact CB-O 3.45Å; C306-K315 PolarHBondContact N-O 3.28Å; L312-K315 VanDerWaalsContact O-CB 3.27Å; L312-K315 WeakPolarHBondContact O-CB 3.43Å; L312-K315 VanDerWaalsContact O-CG 3.28Å; L312-K315 WeakPolarHBondContact O-CG 3.47Å; L312-K315 PolarHBondContact O-N 3.26Å; N313-K315 VanDerWaalsContact C-N 3.27Å; N313-K315 PolarHBondContact O-N 3.18Å; K315-L320 HydrophobicContact CB-CD1 4.22Å | ||
| 316 | M | 95.8 | Very high | 92.9 | Very high | 71 Ų | 71 | 61.8 Ų | 61.8 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -73.2 | 136.4 | 175.5 | -62.7 | 175 | 74.6 | 0 | 0 | 110.7 | A302 T305 G314 T318 Q319 L320 | A302-M316 WeakPolarHBondContact O-CE 3.37Å; T305-M316 HydrophobicContact CG2-CG 3.96Å; G314-M316 PolarHBondContact O-N 3.37Å; M316-T318 PolarHBondContact O-N 3.01Å; M316-Q319 PolarHBondContact O-N 3.2Å; M316-Q319 VanDerWaalsContact O-N 3.12Å; M316-L320 PolarHBondContact O-N 3.21Å |
| 317 | L | 95.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -62.9 | -30.9 | -179.2 | -57.8 | -167.2 | 0 | 0 | 0 | 112.6 | L279 L288 V289 V292 Q293 T304 C306 Q319 L320 | L279-L317 HydrophobicContact CD2-CD1 3.91Å; L279-L317 HydrophobicContact CD2-CD2 4.24Å; L288-L317 HydrophobicContact CD2-CD1 3.9Å; L288-L317 HydrophobicContact CG-CD1 3.91Å; V289-L317 HydrophobicContact CG2-CB 4.38Å; V289-L317 HydrophobicContact CG2-CD1 4.4Å; V289-L317 HydrophobicContact CG2-CD2 4.04Å; V289-L317 HydrophobicContact CG2-CG 4.49Å; V292-L317 HydrophobicContact CB-CB 4.35Å; V292-L317 HydrophobicContact CG1-CB 4.17Å; V292-L317 HydrophobicContact CG2-CD1 4.39Å; Q293-L317 PolarHBondContact NE2-O 3.21Å; T304-L317 HydrophobicContact CG2-CD1 3.56Å; T304-L317 HydrophobicContact CG2-CG 3.96Å; T304-L317 PolarHBondContact O-N 2.92Å; T304-L317 VanDerWaalsContact O-N 3.09Å; C306-L317 VanDerWaalsContact SG-CD2 3.56Å; L317-Q319 PolarHBondContact O-N 2.84Å; L317-Q319 VanDerWaalsContact O-N 3.09Å; L317-L320 HydrophobicContact CD2-CD2 3.99Å; L317-L320 PolarHBondContact O-N 3.22Å |
| 318 | T | 94.1 | Very high | 91.7 | Very high | 46 Ų | 46 | 70.4 Ų | 70.4 | 28% | 0.282 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -59 | -21.5 | 176.8 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | V292 A302 M316 | V292-T318 HydrophobicContact CG1-CG2 3.78Å; A302-T318 HydrophobicContact CB-CG2 3.97Å; M316-T318 PolarHBondContact O-N 3.01Å |
| 319 | Q | 92.4 | Very high | 90.5 | Very high | 162 Ų | 162 | 70 Ų | 70 | 76% | 0.757 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -119.8 | 5.2 | -177.2 | -61.9 | 175.9 | -7.3 | 0 | 0 | 112.7 | M316 L317 | M316-Q319 PolarHBondContact O-N 3.2Å; M316-Q319 VanDerWaalsContact O-N 3.12Å; L317-Q319 PolarHBondContact O-N 2.84Å; L317-Q319 VanDerWaalsContact O-N 3.09Å |
| 320 | L | 95.1 | Very high | 89.3 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 4% | 0.037 | 44% | 0.436 | C | S | . | . | trans | -86.7 | 127.6 | -174.2 | -171.3 | 64.7 | 0 | 0 | 0 | 111.3 | V289 Q293 C306 L312 K315 M316 L317 L324 L325 | V289-L320 HydrophobicContact CG1-CB 4.35Å; V289-L320 HydrophobicContact CG2-CD2 4.16Å; Q293-L320 PolarHBondContact NE2-O 3.2Å; C306-L320 VanDerWaalsContact SG-CD2 3.54Å; L312-L320 HydrophobicContact CD1-CD1 4.29Å; L312-L320 HydrophobicContact CD1-CD2 4.44Å; L312-L320 HydrophobicContact CD2-CD1 3.97Å; K315-L320 HydrophobicContact CB-CD1 4.22Å; M316-L320 PolarHBondContact O-N 3.21Å; L317-L320 HydrophobicContact CD2-CD2 3.99Å; L317-L320 PolarHBondContact O-N 3.22Å; L320-L324 HydrophobicContact CD1-CD1 4.04Å; L320-L325 HydrophobicContact CD2-CD2 3.94Å | ||
| 321 | S | 95 | Very high | 88.3 | Confident | 60 Ų | 60 | 76.5 Ų | 76.5 | 42% | 0.42 | 41% | 0.412 | S | S | . | . | trans | -72.8 | 132.9 | 170.7 | 179 | 0 | 0 | 0 | 0 | 110.8 | D323 L324 | S321-D323 PolarHBondContact O-N 2.97Å; S321-D323 PolarHBondContact OG-N 3.32Å; S321-L324 WeakPolarHBondContact O-CB 3.28Å; S321-L324 PolarHBondContact O-N 3.14Å | ||
| 322 | I | 93.7 | Very high | 87.2 | Confident | 52 Ų | 52 | 74.8 Ų | 74.8 | 27% | 0.267 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -64.9 | -24.5 | -178.7 | -64.1 | 166.5 | 0 | 0 | 0 | 111.9 | K286 V289 V290 L324 L325 | K286-I322 HydrophobicContact CB-CG2 4.17Å; K286-I322 HydrophobicContact CD-CG2 3.7Å; K286-I322 WeakPolarHBondContact CE-O 3.45Å; K286-I322 HydrophobicContact CG-CG2 3.79Å; V289-I322 HydrophobicContact CG1-CG1 4.08Å; V290-I322 HydrophobicContact CG2-CD1 3.38Å; V290-I322 HydrophobicContact CG2-CG1 4.39Å; I322-L324 PolarHBondContact O-N 3.04Å; I322-L325 VanDerWaalsContact O-CB 3.31Å; I322-L325 WeakPolarHBondContact O-CB 3.41Å; I322-L325 PolarHBondContact O-N 3.37Å |
| 323 | D | 93.3 | Very high | 86.5 | Confident | 136 Ų | 136 | 81.9 Ų | 81.9 | 73% | 0.727 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -71.6 | -20 | 179.9 | -61.4 | -36.2 | 0 | 0 | 0 | 113 | S321 L325 | S321-D323 PolarHBondContact O-N 2.97Å; S321-D323 PolarHBondContact OG-N 3.32Å; D323-L325 PolarHBondContact O-N 3.08Å |
| 324 | L | 93.6 | Very high | 86.3 | Confident | 99 Ų | 99 | 76.5 Ų | 76.5 | 52% | 0.518 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -75 | -8.2 | 174.1 | -61 | 174.2 | 0 | 0 | 0 | 112.7 | L312 L320 S321 I322 T326 | L312-L324 HydrophobicContact CD2-CB 4.24Å; L312-L324 HydrophobicContact CD2-CD1 4.16Å; L320-L324 HydrophobicContact CD1-CD1 4.04Å; S321-L324 WeakPolarHBondContact O-CB 3.28Å; S321-L324 PolarHBondContact O-N 3.14Å; I322-L324 PolarHBondContact O-N 3.04Å; L324-T326 PolarHBondContact O-N 3.04Å |
| 325 | L | 92.8 | Very high | 86.1 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | trans | -94.5 | 87.2 | -177.8 | -60.9 | 178.2 | 0 | 0 | 0 | 110.8 | C281 N282 C283 K286 V289 L312 L320 I322 D323 | C281-L325 HydrophobicContact CB-CD2 3.65Å; N282-L325 WeakPolarHBondContact O-CB 3.48Å; C283-L325 WeakPolarHBondContact CA-O 3.44Å; C283-L325 WeakPolarHBondContact CB-O 3.48Å; K286-L325 HydrophobicContact CB-CD1 4.31Å; K286-L325 WeakPolarHBondContact CE-O 3.46Å; K286-L325 HydrophobicContact CG-CB 3.93Å; K286-L325 HydrophobicContact CG-CD1 3.72Å; V289-L325 HydrophobicContact CB-CD1 4.41Å; V289-L325 HydrophobicContact CG2-CD1 3.78Å; L312-L325 HydrophobicContact CD1-CD2 4.1Å; L320-L325 HydrophobicContact CD2-CD2 3.94Å; I322-L325 VanDerWaalsContact O-CB 3.31Å; I322-L325 WeakPolarHBondContact O-CB 3.41Å; I322-L325 PolarHBondContact O-N 3.37Å; D323-L325 PolarHBondContact O-N 3.08Å | ||
| 326 | T | 90.4 | Very high | 86.1 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | trans | -98.3 | 171.2 | 178.9 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | N282 C283 L324 | N282-T326 WeakPolarHBondContact CA-O 3.42Å; N282-T326 WeakPolarHBondContact CB-O 3.46Å; C283-T326 PolarHBondContact N-O 2.98Å; L324-T326 PolarHBondContact O-N 3.04Å | ||
| 327 | C | 84.9 | Confident | 86.1 | Confident | 58 Ų | 58 | 74.5 Ų | 74.5 | 39% | 0.392 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -122.7 | 15.4 | 173.8 | -86 | 0 | 0 | 0 | 0 | 112.3 | C283 D329 | C283-C327 HydrophobicContact CB-CB 3.92Å; C283-C327 WeakPolarHBondContact CB-SG 3.29Å; C283-C327 WeakPolarHBondContact SG-CB 3.49Å; C283-C327 CovalentContact SG-SG 2.02Å; C283-C327 PolarHBondContact SG-SG 3.07Å; C327-D329 VanDerWaalsContact C-N 3.28Å; C327-D329 PolarHBondContact O-N 2.84Å |
| 328 | D | 77.4 | Confident | 86.2 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | trans | -78.8 | -15.9 | -176.1 | -53 | -42.7 | 0 | 0 | 0 | 112.2 | F330 | D328-F330 PolarHBondContact O-N 3.3Š| ||
| 329 | D | 61.3 | Low | 86.3 | Confident | 70 Ų | 70 | 79.1 Ų | 79.1 | 37% | 0.374 | 40% | 0.404 | S | S | . | . | trans | -74 | 116.1 | 179.8 | -66.1 | -28.9 | 0 | 0 | 0 | 111.3 | C327 W331 | C327-D329 VanDerWaalsContact C-N 3.28Å; C327-D329 PolarHBondContact O-N 2.84Å; D329-W331 HydrophobicContact CB-CD2 4.45Å; D329-W331 HydrophobicContact CB-CH2 4.07Å; D329-W331 HydrophobicContact CB-CZ2 3.57Å; D329-W331 PolarHBondContact O-N 3.03Å; D329-W331 VanDerWaalsContact O-N 3.07Å; D329-W331 PolarHBondContact O-NE1 2.8Å; D329-W331 VanDerWaalsContact O-NE1 3.14Å | ||
| 330 | F | 62.6 | Low | 86.6 | Confident | 213 Ų | 213 | 71.9 Ų | 71.9 | 93% | 0.934 | 37% | 0.37 | S | S | * | . | trans | -69.4 | 97.4 | 166.8 | -100.1 | -93.2 | 0 | 0 | 0 | 109.5 | D328 | D328-F330 PolarHBondContact O-N 3.3Š| ||
| 331 | W | 66.5 | Low | 86.7 | Confident | 57 Ų | 57 | 79.1 Ų | 79.1 | 22% | 0.216 | 40% | 0.402 | C | S | . | . | trans | -70.9 | 141.6 | 171.3 | -50.8 | 97.5 | 0 | 0 | 0 | 109.9 | L280 N282 P309 D329 R333 L420 | L280-W331 HydrophobicContact CD1-CD2 3.88Å; L280-W331 HydrophobicContact CD1-CE3 3.7Å; L280-W331 HydrophobicContact CD1-CH2 3.34Å; L280-W331 HydrophobicContact CD1-CZ2 3.54Å; L280-W331 HydrophobicContact CD1-CZ3 3.42Å; L280-W331 VanDerWaalsContact CD1-CZ3 3.42Å; L280-W331 HydrophobicContact CD2-CD2 4.36Å; L280-W331 HydrophobicContact CG-CZ2 4.48Å; N282-W331 HydrophobicContact CB-CZ2 4.46Å; P309-W331 HydrophobicContact CB-CH2 3.87Å; P309-W331 HydrophobicContact CG-CH2 4.41Å; D329-W331 HydrophobicContact CB-CD2 4.45Å; D329-W331 HydrophobicContact CB-CH2 4.07Å; D329-W331 HydrophobicContact CB-CZ2 3.57Å; D329-W331 PolarHBondContact O-N 3.03Å; D329-W331 VanDerWaalsContact O-N 3.07Å; D329-W331 PolarHBondContact O-NE1 2.8Å; D329-W331 VanDerWaalsContact O-NE1 3.14Å; W331-R333 PolarHBondContact O-N 3.36Å; W331-L420 HydrophobicContact CB-CD1 4Å; W331-L420 HydrophobicContact CD2-CD1 4.41Å; W331-L420 HydrophobicContact CE3-CD1 3.85Å; W331-L420 HydrophobicContact CG-CD1 4.49Å | ||
| 332 | P | 68.4 | Low | 86.9 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 34% | 0.344 | 41% | 0.409 | S | S | . | . | trans | -56.8 | 119 | 172 | 21.2 | -29.5 | 0 | 0 | 0 | 108 | N418 L420 T421 | P332-N418 PolarHBondContact O-ND2 2.88Å; P332-L420 HydrophobicContact CG-CD1 4.15Å; P332-T421 PolarHBondContact O-OG1 3.34Å | ||
| 333 | R | 78.3 | Confident | 87.1 | Confident | 160 Ų | 160 | 79.9 Ų | 79.9 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | trans | -112.2 | 133.8 | 173.6 | -175.6 | -174.6 | 174.8 | -176.6 | 1.7 | 108.2 | W331 I335 T421 S423 | W331-R333 PolarHBondContact O-N 3.36Å; R333-I335 PolarHBondContact O-N 3.02Å; R333-T421 WeakPolarHBondContact CA-OG1 3.41Å; R333-S423 PolarHBondContact NE-OG 3.13Å | ||
| 334 | P | 89.1 | Confident | 87.2 | Confident | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.006 | 40% | 0.4 | C | S | . | . | trans | -57.2 | 139.6 | 171.3 | -22.4 | 32.8 | 0 | 0 | 0 | 110.9 | L364 A416 N418 T421 S423 | P334-L364 HydrophobicContact CB-CD2 3.68Å; P334-L364 HydrophobicContact CG-CD2 3.58Å; P334-A416 HydrophobicContact CB-CB 3.94Å; P334-N418 HydrophobicContact CG-CB 4.08Å; P334-T421 WeakPolarHBondContact CD-OG1 3.24Å; P334-S423 WeakPolarHBondContact O-CB 3.43Å; P334-S423 PolarHBondContact O-OG 2.89Å | ||
| 335 | I | 92.3 | Very high | 87.3 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 49% | 0.487 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.8 | 176.8 | -58.2 | 173.9 | 0 | 0 | 0 | 107.8 | R333 V337 A357 Q358 | R333-I335 PolarHBondContact O-N 3.02Å; I335-V337 PolarHBondContact O-N 3.48Å; I335-A357 CarbonylContact O-C 3.43Å; I335-A357 WeakPolarHBondContact O-CA 3.49Å; I335-A357 WeakPolarHBondContact O-CB 3.42Å; I335-Q358 HydrophobicContact CB-CG 4.14Å; I335-Q358 PolarHBondContact N-O 3.23Å; I335-Q358 PolarHBondContact O-N 3.5Å |
| 336 | I | 95.5 | Very high | 87.5 | Confident | 29 Ų | 29 | 75.3 Ų | 75.3 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 122.5 | 173.4 | -52.9 | -55.4 | 0 | 0 | 0 | 108.3 | S356 A357 A416 | I336-S356 CarbonylContact C-O 3.48Å; I336-S356 WeakPolarHBondContact CA-O 3.4Å; I336-A357 HydrophobicContact CD1-CB 3.77Å; I336-A416 HydrophobicContact CD1-CB 3.67Å |
| 337 | V | 96 | Very high | 87.7 | Confident | 71 Ų | 71 | 76.8 Ų | 76.8 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -24.5 | -179.3 | -61.5 | 0 | 0 | 0 | 0 | 113 | I335 S356 Q358 | I335-V337 PolarHBondContact O-N 3.48Å; V337-S356 WeakPolarHBondContact CG2-O 3.48Å; V337-S356 PolarHBondContact N-O 3.18Å; V337-Q358 HydrophobicContact CG1-CB 4.37Å; V337-Q358 HydrophobicContact CG1-CG 3.75Å |
| 338 | D | 96.9 | Very high | 88.1 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 130 | 175.8 | -172 | 32.8 | 0 | 0 | 0 | 110.4 | C355 S356 | D338-C355 WeakPolarHBondContact O-CA 3.42Å; D338-C355 PolarHBondContact O-SG 2.86Å; D338-S356 PolarHBondContact N-O 2.92Å; D338-S356 PolarHBondContact O-N 3.16Å |
| 339 | Q | 97.6 | Very high | 89 | Confident | 65 Ų | 65 | 73.5 Ų | 73.5 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | trans | -94.8 | 149.1 | -174.3 | -60.7 | -69.1 | -10.2 | 0 | 0 | 111 | S425 | Q339-S425 VanDerWaalsContact OE1-CA 3.28Š| ||
| 340 | P | 97.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 73.9 Ų | 73.9 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | trans | -66.7 | 163.5 | 172.1 | 30.2 | -35 | 0 | 0 | 0 | 112.2 | F353 N354 W368 V428 | P340-F353 HydrophobicContact CB-CD1 4.46Å; P340-N354 WeakPolarHBondContact CA-O 3.42Å; P340-N354 WeakPolarHBondContact CB-O 3.5Å; P340-W368 HydrophobicContact CB-CH2 4.02Å; P340-W368 HydrophobicContact CB-CZ3 3.97Å; P340-W368 HydrophobicContact CG-CZ3 4.21Å; P340-V428 HydrophobicContact CB-CG1 4.49Å; P340-V428 HydrophobicContact CB-CG2 3.84Å; P340-V428 HydrophobicContact CG-CG1 4.22Å; P340-V428 HydrophobicContact CG-CG2 3.96Å; P340-V428 VanDerWaalsContact O-CG1 3.27Å; P340-V428 WeakPolarHBondContact O-CG1 3.02Å | ||
| 341 | K | 97.9 | Very high | 92.3 | Very high | 159 Ų | 159 | 64.2 Ų | 64.2 | 69% | 0.691 | 35% | 0.346 | S | S | * | . | trans | -117.3 | 149.3 | -178.2 | -63.5 | -179.2 | -176.5 | 176.4 | 0 | 112.2 | F353 | K341-F353 WeakPolarHBondContact O-CD1 3.42Å; K341-F353 WeakPolarHBondContact O-CE1 3.5Å | ||
| 342 | P | 98.1 | Very high | 93.8 | Very high | 88 Ų | 88 | 64.3 Ų | 64.3 | 57% | 0.571 | 36% | 0.359 | S | S | * | . | trans | -63.3 | 147.7 | 173 | -21.1 | 33.2 | 0 | 0 | 0 | 113.3 | V428 P429 | P342-V428 HydrophobicContact CG-CB 4.37Å; P342-V428 HydrophobicContact CG-CG1 4.36Å; P342-P429 WeakPolarHBondContact CA-O 3.32Å; P342-P429 HydrophobicContact CB-CG 3.97Å; P342-P429 HydrophobicContact CG-CG 4.49Å | ||
| 343 | V | 97.7 | Very high | 95.2 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 24% | 0.242 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 141.6 | 179.2 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | V351 F353 P429 L430 S431 | V343-V351 HydrophobicContact CB-CG1 3.99Å; V343-V351 HydrophobicContact CG1-CG1 3.76Å; V343-V351 HydrophobicContact CG1-CG2 3.99Å; V343-V351 HydrophobicContact CG2-CG1 4.03Å; V343-F353 HydrophobicContact CG2-CE1 4Å; V343-F353 HydrophobicContact CG2-CZ 4.34Å; V343-P429 PolarHBondContact N-O 2.82Å; V343-L430 HydrophobicContact CB-CD1 4.16Å; V343-L430 HydrophobicContact CG1-CD1 4.29Å; V343-L430 WeakPolarHBondContact O-CA 3.28Å; V343-S431 PolarHBondContact O-N 3.3Å |
| 344 | T | 96.2 | Very high | 96.1 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.4 | 166.3 | -58.4 | 0 | 0 | 0 | 0 | 108.4 | S431 Q433 | T344-S431 CarbonylContact C-O 3.58Å; T344-S431 VanDerWaalsContact CA-O 3.3Å; T344-S431 WeakPolarHBondContact CA-O 3.09Å; T344-Q433 HydrophobicContact CG2-CG 4.37Å |
| 345 | A | 96.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 158.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D349 V351 V404 L430 S431 V432 Q433 | A345-D349 HydrophobicContact CB-CB 4.08Å; A345-V351 HydrophobicContact CB-CG2 3.51Å; A345-V404 HydrophobicContact CB-CG2 4.13Å; A345-L430 HydrophobicContact CB-CD1 4.49Å; A345-S431 PolarHBondContact N-O 2.93Å; A345-V432 CarbonylContact O-C 3.53Å; A345-V432 WeakPolarHBondContact O-CA 3.23Å; A345-Q433 PolarHBondContact O-N 2.86Å |
| 346 | V | 95.5 | Very high | 96.7 | Very high | 41 Ų | 41 | 53.6 Ų | 53.6 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 148.8 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | G348 D349 V404 Q433 P435 | V346-G348 PolarHBondContact O-N 3.41Å; V346-D349 PolarHBondContact N-OD2 3.05Å; V346-D349 WeakPolarHBondContact O-CB 3.22Å; V346-D349 VanDerWaalsContact O-CG 3.29Å; V346-D349 PolarHBondContact O-N 3.17Å; V346-V404 VanDerWaalsContact O-CG2 3.29Å; V346-V404 WeakPolarHBondContact O-CG2 3.39Å; V346-Q433 CarbonylContact C-O 3.54Å; V346-Q433 WeakPolarHBondContact CA-O 3.5Å; V346-Q433 HydrophobicContact CG2-CB 4.44Å; V346-P435 HydrophobicContact CG1-CG 3.78Å |
| 347 | E | 94.7 | Very high | 96.8 | Very high | 89 Ų | 89 | 52.2 Ų | 52.2 | 42% | 0.416 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 128.6 | 175.9 | -175.8 | 179 | -164.8 | 0 | 0 | 111 | V404 V432 Q433 V434 | E347-V404 CarbonylContact C-O 3.59Å; E347-V404 VanDerWaalsContact CA-O 3.26Å; E347-V404 WeakPolarHBondContact CA-O 3.14Å; E347-V404 WeakPolarHBondContact CG-O 3.37Å; E347-V432 HydrophobicContact CB-CG1 4.42Å; E347-Q433 PolarHBondContact N-O 3.17Å; E347-V434 WeakPolarHBondContact OE2-CG1 3.39Å |
| 348 | G | 94.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 53 Ų | 53 | 50% | 0.495 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -10.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V346 V404 | V346-G348 PolarHBondContact O-N 3.41Å; G348-V404 PolarHBondContact N-O 2.98Å |
| 349 | D | 96.1 | Very high | 96.2 | Very high | 76 Ų | 76 | 50.1 Ų | 50.1 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | trans | -66.4 | 164.4 | 173.1 | -75.5 | -19.8 | 0 | 0 | 0 | 112 | A345 V346 A403 V404 | A345-D349 HydrophobicContact CB-CB 4.08Å; V346-D349 PolarHBondContact N-OD2 3.05Å; V346-D349 WeakPolarHBondContact O-CB 3.22Å; V346-D349 VanDerWaalsContact O-CG 3.29Å; V346-D349 PolarHBondContact O-N 3.17Å; D349-A403 WeakPolarHBondContact O-CA 3.16Å; D349-A403 PolarHBondContact O-N 2.97Å; D349-V404 HydrophobicContact CB-CG2 4.18Å; D349-V404 PolarHBondContact O-N 3Å | ||
| 350 | T | 96.7 | Very high | 95.5 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 48% | 0.479 | 31% | 0.306 | S | S | . | . | trans | -111.3 | 125 | 169.6 | -56.5 | 0 | 0 | 0 | 0 | 111 | M400 V401 E402 | T350-M400 HydrophobicContact CG2-CE 3.3Å; T350-M400 HydrophobicContact CG2-CG 3.59Å; T350-M400 HydrophobicContact CG2-SD 4.23Å; T350-V401 CarbonylContact C-O 3.57Å; T350-V401 VanDerWaalsContact CA-O 3.31Å; T350-V401 WeakPolarHBondContact CA-O 3.46Å; T350-E402 HydrophobicContact CG2-CB 4.47Å; T350-E402 HydrophobicContact CG2-CG 4.07Å | ||
| 351 | V | 97.1 | Very high | 94.3 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.055 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 145.6 | -175.5 | 171.8 | 0 | 0 | 0 | 0 | 111 | V343 A345 F353 M400 V401 V404 L430 | V343-V351 HydrophobicContact CB-CG1 3.99Å; V343-V351 HydrophobicContact CG1-CG1 3.76Å; V343-V351 HydrophobicContact CG1-CG2 3.99Å; V343-V351 HydrophobicContact CG2-CG1 4.03Å; A345-V351 HydrophobicContact CB-CG2 3.51Å; V351-F353 HydrophobicContact CG1-CD2 4.39Å; V351-F353 HydrophobicContact CG1-CE2 3.83Å; V351-F353 HydrophobicContact CG1-CZ 4.05Å; V351-M400 CarbonylContact O-C 3.25Å; V351-M400 VanDerWaalsContact O-CA 3.23Å; V351-M400 WeakPolarHBondContact O-CA 3.42Å; V351-V401 PolarHBondContact N-O 3.04Å; V351-V401 PolarHBondContact O-N 3.45Å; V351-V404 HydrophobicContact CB-CG1 4.22Å; V351-V404 HydrophobicContact CG2-CG1 3.92Å; V351-L430 HydrophobicContact CG1-CD1 4.18Å; V351-L430 HydrophobicContact CG2-CD1 4.1Å |
| 352 | A | 96.6 | Very high | 93.5 | Very high | 59 Ų | 59 | 52.3 Ų | 52.3 | 49% | 0.488 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L399 | A352-L399 CarbonylContact C-O 3.55Å; A352-L399 VanDerWaalsContact CA-O 3.24Å; A352-L399 WeakPolarHBondContact CA-O 3.24Å |
| 353 | F | 98 | Very high | 92.8 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.013 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.6 | 169.8 | -62.7 | -80.4 | 0 | 0 | 0 | 110.3 | P340 K341 V343 V351 W368 S398 L399 Y412 V428 L430 | P340-F353 HydrophobicContact CB-CD1 4.46Å; K341-F353 WeakPolarHBondContact O-CD1 3.42Å; K341-F353 WeakPolarHBondContact O-CE1 3.5Å; V343-F353 HydrophobicContact CG2-CE1 4Å; V343-F353 HydrophobicContact CG2-CZ 4.34Å; V351-F353 HydrophobicContact CG1-CD2 4.39Å; V351-F353 HydrophobicContact CG1-CE2 3.83Å; V351-F353 HydrophobicContact CG1-CZ 4.05Å; F353-W368 HydrophobicContact CB-CE3 4.34Å; F353-W368 HydrophobicContact CB-CH2 3.6Å; F353-W368 HydrophobicContact CB-CZ2 4.28Å; F353-W368 HydrophobicContact CB-CZ3 3.63Å; F353-W368 HydrophobicContact CG-CZ3 4.43Å; F353-S398 CarbonylContact O-C 3.49Å; F353-S398 VanDerWaalsContact O-CA 3.26Å; F353-S398 WeakPolarHBondContact O-CA 3.39Å; F353-L399 HydrophobicContact CB-CB 4.4Å; F353-L399 HydrophobicContact CD2-CD2 4.15Å; F353-L399 PolarHBondContact N-O 3.34Å; F353-L399 PolarHBondContact O-N 2.98Å; F353-Y412 AromaticContact CD2-CD1 3.96Å; F353-Y412 HydrophobicContact CD2-CD1 3.96Å; F353-Y412 HydrophobicContact CD2-CE1 4.36Å; F353-Y412 HydrophobicContact CD2-CG 4.21Å; F353-Y412 AromaticContact CE2-CD1 3.79Å; F353-Y412 HydrophobicContact CE2-CD1 3.79Å; F353-Y412 HydrophobicContact CE2-CD2 4.03Å; F353-Y412 AromaticContact CE2-CE1 3.99Å; F353-Y412 HydrophobicContact CE2-CE1 3.99Å; F353-Y412 HydrophobicContact CE2-CE2 4.28Å; F353-Y412 AromaticContact CE2-CG 3.78Å; F353-Y412 HydrophobicContact CE2-CG 3.78Å; F353-Y412 HydrophobicContact CZ-CD1 4.47Å; F353-Y412 HydrophobicContact CZ-CD2 4.01Å; F353-Y412 HydrophobicContact CZ-CE2 4.49Å; F353-Y412 HydrophobicContact CZ-CG 4.01Å; F353-V428 HydrophobicContact CD1-CG2 3.85Å; F353-V428 HydrophobicContact CE1-CG2 3.77Å; F353-L430 HydrophobicContact CE2-CD2 4.5Å; F353-L430 HydrophobicContact CZ-CB 4.05Å |
| 354 | N | 97.6 | Very high | 92.4 | Very high | 73 Ų | 73 | 50.9 Ų | 50.9 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.3 | 178.2 | -65.3 | -39.9 | 0 | 0 | 0 | 110.7 | P340 A397 S398 | P340-N354 WeakPolarHBondContact CA-O 3.42Å; P340-N354 WeakPolarHBondContact CB-O 3.5Å; N354-A397 CarbonylContact C-O 3.55Å; N354-A397 WeakPolarHBondContact CA-O 3.15Å; N354-S398 WeakPolarHBondContact OD1-CB 3.38Å; N354-S398 PolarHBondContact OD1-OG 3.22Å |
| 355 | C | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 134.7 | 174.2 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | D338 W368 A397 C414 | D338-C355 WeakPolarHBondContact O-CA 3.42Å; D338-C355 PolarHBondContact O-SG 2.86Å; C355-W368 HydrophobicContact CB-CH2 3.68Å; C355-W368 HydrophobicContact CB-CZ2 3.88Å; C355-A397 PolarHBondContact N-O 3.14Å; C355-A397 PolarHBondContact O-N 2.94Å; C355-C414 HydrophobicContact CB-CB 3.42Å; C355-C414 VanDerWaalsContact CB-CB 3.42Å; C355-C414 WeakPolarHBondContact CB-SG 3.18Å; C355-C414 WeakPolarHBondContact SG-CB 3.32Å; C355-C414 PolarHBondContact SG-SG 3.19Å |
| 356 | S | 97.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.4 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 112 | I336 V337 D338 W395 T396 | I336-S356 CarbonylContact C-O 3.48Å; I336-S356 WeakPolarHBondContact CA-O 3.4Å; V337-S356 WeakPolarHBondContact CG2-O 3.48Å; V337-S356 PolarHBondContact N-O 3.18Å; D338-S356 PolarHBondContact N-O 2.92Å; D338-S356 PolarHBondContact O-N 3.16Å; S356-W395 CarbonylContact C-O 3.57Å; S356-W395 WeakPolarHBondContact CA-O 3.1Å; S356-T396 PolarHBondContact OG-OG1 2.93Å |
| 357 | A | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 155 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I335 I336 L364 F366 W395 A416 | I335-A357 CarbonylContact O-C 3.43Å; I335-A357 WeakPolarHBondContact O-CA 3.49Å; I335-A357 WeakPolarHBondContact O-CB 3.42Å; I336-A357 HydrophobicContact CD1-CB 3.77Å; A357-L364 HydrophobicContact CB-CD1 3.9Å; A357-F366 HydrophobicContact CB-CE1 3.74Å; A357-F366 HydrophobicContact CB-CZ 3.78Å; A357-W395 PolarHBondContact N-O 3.44Å; A357-W395 PolarHBondContact O-N 3.07Å; A357-A416 HydrophobicContact CB-CB 3.61Å |
| 358 | Q | 93.3 | Very high | 91.2 | Very high | 87 Ų | 87 | 47.5 Ų | 47.5 | 41% | 0.407 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 155.5 | 177.8 | 71.2 | -179.9 | 23.5 | 0 | 0 | 111.6 | I335 V337 | I335-Q358 HydrophobicContact CB-CG 4.14Å; I335-Q358 PolarHBondContact N-O 3.23Å; I335-Q358 PolarHBondContact O-N 3.5Å; V337-Q358 HydrophobicContact CG1-CB 4.37Å; V337-Q358 HydrophobicContact CG1-CG 3.75Å |
| 359 | C | 87.9 | Confident | 91 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | trans | -157.4 | 129.5 | 176.6 | 178.1 | 0 | 0 | 0 | 0 | 109 | D361 C362 L364 N418 | C359-D361 PolarHBondContact O-N 2.94Å; C359-C362 HydrophobicContact CB-CB 4.22Å; C359-C362 WeakPolarHBondContact CB-SG 3.12Å; C359-C362 WeakPolarHBondContact SG-CB 3.3Å; C359-C362 CovalentContact SG-SG 2.02Å; C359-C362 PolarHBondContact SG-SG 2.9Å; C359-L364 HydrophobicContact CB-CD1 4.19Å; C359-L364 HydrophobicContact CB-CD2 3.72Å; C359-L364 HydrophobicContact CB-CG 4.03Å; C359-N418 PolarHBondContact SG-ND2 3.04Å | ||
| 360 | A | 82 | Confident | 90.8 | Very high | 77 Ų | 77 | 44 Ų | 44 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 128.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | C362 | A360-C362 PolarHBondContact O-N 3.15Š|
| 361 | D | 74.3 | Confident | 90.4 | Very high | 178 Ų | 178 | 44.2 Ų | 44.2 | 95% | 0.952 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 31.7 | 175.3 | -57.6 | -32.7 | 0 | 0 | 0 | 115.6 | C359 | C359-D361 PolarHBondContact O-N 2.94Š|
| 362 | C | 79.9 | Confident | 89.6 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | trans | -134.4 | 155.7 | 179.9 | 102.6 | 0 | 0 | 0 | 0 | 112.9 | C359 A360 N418 | C359-C362 HydrophobicContact CB-CB 4.22Å; C359-C362 WeakPolarHBondContact CB-SG 3.12Å; C359-C362 WeakPolarHBondContact SG-CB 3.3Å; C359-C362 CovalentContact SG-SG 2.02Å; C359-C362 PolarHBondContact SG-SG 2.9Å; A360-C362 PolarHBondContact O-N 3.15Å; C362-N418 HydrophobicContact CB-CB 4.37Å; C362-N418 WeakPolarHBondContact SG-CB 3.26Å; C362-N418 PolarHBondContact SG-ND2 2.85Å | ||
| 363 | S | 82.8 | Confident | 88.7 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 62% | 0.622 | 27% | 0.271 | S | S | * | . | trans | -91.5 | 137.5 | 170.2 | -66.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 364 | L | 89.8 | Confident | 87.7 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | trans | -103.9 | 135.7 | 178.3 | -67 | -177.9 | 0 | 0 | 0 | 111.2 | P334 A357 C359 F366 W395 I417 N418 | P334-L364 HydrophobicContact CB-CD2 3.68Å; P334-L364 HydrophobicContact CG-CD2 3.58Å; A357-L364 HydrophobicContact CB-CD1 3.9Å; C359-L364 HydrophobicContact CB-CD1 4.19Å; C359-L364 HydrophobicContact CB-CD2 3.72Å; C359-L364 HydrophobicContact CB-CG 4.03Å; L364-F366 HydrophobicContact CB-CD2 4.35Å; L364-F366 HydrophobicContact CB-CE2 3.64Å; L364-F366 HydrophobicContact CB-CZ 4.16Å; L364-F366 HydrophobicContact CD1-CE2 4.34Å; L364-F366 HydrophobicContact CD1-CZ 4.04Å; L364-W395 HydrophobicContact CB-CG 4.38Å; L364-W395 HydrophobicContact CD1-CB 4.48Å; L364-W395 HydrophobicContact CD1-CG 4.48Å; L364-I417 CarbonylContact C-O 3.56Å; L364-I417 VanDerWaalsContact CA-O 3.31Å; L364-I417 WeakPolarHBondContact CA-O 3.46Å; L364-N418 HydrophobicContact CD2-CB 4.12Å | ||
| 365 | L | 86.9 | Confident | 87.2 | Confident | 110 Ų | 110 | 46.6 Ų | 46.6 | 58% | 0.576 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143.5 | 165.5 | -67.1 | 172 | 0 | 0 | 0 | 108.6 | I417 | L365-I417 HydrophobicContact CB-CB 4.36Å; L365-I417 PolarHBondContact N-O 3.34Å; L365-I417 PolarHBondContact O-N 2.96Å |
| 366 | F | 91 | Very high | 86.2 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 13% | 0.127 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 145.9 | 179.6 | -67.2 | -97.6 | 0 | 0 | 0 | 111.4 | A357 L364 V387 W395 A397 H415 A416 | A357-F366 HydrophobicContact CB-CE1 3.74Å; A357-F366 HydrophobicContact CB-CZ 3.78Å; L364-F366 HydrophobicContact CB-CD2 4.35Å; L364-F366 HydrophobicContact CB-CE2 3.64Å; L364-F366 HydrophobicContact CB-CZ 4.16Å; L364-F366 HydrophobicContact CD1-CE2 4.34Å; L364-F366 HydrophobicContact CD1-CZ 4.04Å; F366-V387 HydrophobicContact CB-CG2 4.05Å; F366-V387 HydrophobicContact CD2-CG1 3.7Å; F366-V387 HydrophobicContact CD2-CG2 4Å; F366-V387 HydrophobicContact CE2-CG1 3.94Å; F366-V387 HydrophobicContact CG-CG2 4.37Å; F366-W395 HydrophobicContact CE2-CB 3.51Å; F366-W395 HydrophobicContact CE2-CG 4.3Å; F366-W395 HydrophobicContact CZ-CB 3.7Å; F366-A397 HydrophobicContact CB-CB 3.61Å; F366-A397 HydrophobicContact CD1-CB 3.52Å; F366-A397 HydrophobicContact CD2-CB 4.13Å; F366-A397 HydrophobicContact CE1-CB 4.11Å; F366-A397 HydrophobicContact CG-CB 3.5Å; F366-A397 VanDerWaalsContact CG-CB 3.5Å; F366-H415 VanDerWaalsContact CA-O 3.26Å; F366-H415 WeakPolarHBondContact CA-O 3.29Å; F366-A416 HydrophobicContact CD1-CB 3.99Å; F366-A416 HydrophobicContact CE1-CB 3.67Å; F366-A416 HydrophobicContact CZ-CB 4.29Å |
| 367 | Y | 88.5 | Confident | 85.2 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 165.8 | 160.3 | 69.7 | -95.6 | 0 | 0 | 0 | 111.2 | M209 R374 H415 I417 | M209-Y367 PolarHBondContact O-OH 2.74Å; Y367-R374 HydrophobicContact CD2-CB 4.26Å; Y367-R374 VanDerWaalsContact CD2-CD 3.44Å; Y367-R374 HydrophobicContact CD2-CG 3.57Å; Y367-R374 HydrophobicContact CE2-CB 4.28Å; Y367-R374 HydrophobicContact CE2-CG 4.02Å; Y367-R374 HydrophobicContact CG-CG 4.21Å; Y367-R374 VanDerWaalsContact CG-CZ 3.49Å; Y367-R374 VanDerWaalsContact CG-NE 3.28Å; Y367-H415 HydrophobicContact CD1-CB 3.73Å; Y367-H415 HydrophobicContact CD2-CB 3.88Å; Y367-H415 AromaticContact CD2-CD2 3.65Å; Y367-H415 AromaticContact CD2-CG 3.76Å; Y367-H415 HydrophobicContact CE1-CB 3.44Å; Y367-H415 VanDerWaalsContact CE1-CB 3.44Å; Y367-H415 AromaticContact CE1-CG 3.88Å; Y367-H415 HydrophobicContact CE2-CB 3.62Å; Y367-H415 AromaticContact CE2-CD2 3.27Å; Y367-H415 WeakPolarHBondContact CE2-CD2 3.33Å; Y367-H415 AromaticContact CE2-CE1 3.59Å; Y367-H415 AromaticContact CE2-CG 3.17Å; Y367-H415 AromaticContact CE2-ND1 3.38Å; Y367-H415 WeakPolarHBondContact CE2-ND1 3.3Å; Y367-H415 AromaticContact CE2-NE2 3.55Å; Y367-H415 HydrophobicContact CG-CB 3.95Å; Y367-H415 AromaticContact CZ-CD2 3.87Å; Y367-H415 AromaticContact CZ-CE1 3.79Å; Y367-H415 AromaticContact CZ-CG 3.24Å; Y367-H415 AromaticContact CZ-ND1 3.19Å; Y367-H415 PolarHBondContact N-O 2.94Å; Y367-H415 VanDerWaalsContact N-O 3.08Å; Y367-H415 PolarHBondContact O-N 3.02Å; Y367-H415 PolarHBondContact OH-CE1 3.23Å; Y367-H415 PolarHBondContact OH-ND1 3.36Å; Y367-I417 HydrophobicContact CD1-CD1 3.62Å; Y367-I417 HydrophobicContact CD1-CG1 4.39Å; Y367-I417 HydrophobicContact CE1-CD1 3.43Å; Y367-I417 VanDerWaalsContact CE1-CD1 3.43Å; Y367-I417 HydrophobicContact CE1-CG1 4.12Å |
| 368 | W | 92.4 | Very high | 84.1 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 153.3 | 179.3 | -67.8 | 85.4 | 0 | 0 | 0 | 110.8 | P340 F353 C355 R374 L375 L399 R413 C414 | P340-W368 HydrophobicContact CB-CH2 4.02Å; P340-W368 HydrophobicContact CB-CZ3 3.97Å; P340-W368 HydrophobicContact CG-CZ3 4.21Å; F353-W368 HydrophobicContact CB-CE3 4.34Å; F353-W368 HydrophobicContact CB-CH2 3.6Å; F353-W368 HydrophobicContact CB-CZ2 4.28Å; F353-W368 HydrophobicContact CB-CZ3 3.63Å; F353-W368 HydrophobicContact CG-CZ3 4.43Å; C355-W368 HydrophobicContact CB-CH2 3.68Å; C355-W368 HydrophobicContact CB-CZ2 3.88Å; W368-R374 CarbonylContact O-C 3.09Å; W368-R374 WeakPolarHBondContact O-CA 3.3Å; W368-L375 HydrophobicContact CB-CD1 4.17Å; W368-L375 PolarHBondContact O-N 3.21Å; W368-L399 HydrophobicContact CB-CD2 3.84Å; W368-L399 HydrophobicContact CD2-CB 3.75Å; W368-L399 HydrophobicContact CD2-CD2 4.07Å; W368-L399 HydrophobicContact CE3-CB 4.42Å; W368-L399 HydrophobicContact CE3-CD2 4.28Å; W368-L399 HydrophobicContact CG-CB 3.78Å; W368-L399 HydrophobicContact CG-CD2 3.88Å; W368-L399 HydrophobicContact CG-CG 4.3Å; W368-L399 HydrophobicContact CZ2-CB 4.29Å; W368-R413 CarbonylContact C-O 3.54Å; W368-R413 VanDerWaalsContact CA-O 3.31Å; W368-R413 WeakPolarHBondContact CA-O 3.44Å; W368-C414 HydrophobicContact CD2-CB 4.08Å; W368-C414 HydrophobicContact CE3-CB 3.86Å; W368-C414 HydrophobicContact CH2-CB 3.8Å; W368-C414 HydrophobicContact CZ2-CB 4.01Å; W368-C414 HydrophobicContact CZ3-CB 3.73Å |
| 369 | S | 89.8 | Confident | 82.8 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 140.3 | 173.4 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | V373 Y412 R413 H415 | S369-V373 CarbonylContact C-O 3.5Å; S369-V373 WeakPolarHBondContact CA-O 3.26Å; S369-V373 WeakPolarHBondContact CB-O 3.11Å; S369-Y412 CarbonylContact O-C 3.29Å; S369-Y412 VanDerWaalsContact O-CA 3.24Å; S369-Y412 WeakPolarHBondContact O-CA 3.25Å; S369-R413 PolarHBondContact N-O 2.87Å; S369-R413 PolarHBondContact O-N 2.85Å; S369-R413 PolarHBondContact OG-O 3Å; S369-H415 PolarHBondContact OG-NE2 2.64Å |
| 370 | R | 92 | Very high | 82.1 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 18% | 0.181 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.2 | 168.7 | 177.5 | 173.2 | 73.2 | -146.9 | 18.1 | 109 | D372 V373 L375 T407 D408 L411 Y412 | R370-D372 VanDerWaalsContact C-N 3.26Å; R370-D372 PolarHBondContact O-N 2.95Å; R370-V373 PolarHBondContact N-O 2.87Å; R370-V373 WeakPolarHBondContact O-CA 3.11Å; R370-V373 WeakPolarHBondContact O-CB 3.33Å; R370-V373 PolarHBondContact O-N 3.21Å; R370-L375 HydrophobicContact CB-CD1 4.2Å; R370-L375 HydrophobicContact CB-CD2 3.81Å; R370-L375 HydrophobicContact CB-CG 4.17Å; R370-T407 PolarHBondContact NH2-O 2.87Å; R370-D408 WeakPolarHBondContact CD-O 3.48Å; R370-D408 IonicContact CZ-OD1 3.96Å; R370-D408 IonicContact NH1-OD1 3.45Å; R370-D408 PolarHBondContact NH1-OD1 3.03Å; R370-D408 IonicContact NH2-OD1 2.79Å; R370-L411 CarbonylContact C-O 3.51Å; R370-L411 WeakPolarHBondContact CA-O 3.49Å; R370-Y412 HydrophobicContact CB-CE1 4.3Å; R370-Y412 HydrophobicContact CB-CE2 4.31Å; R370-Y412 WeakPolarHBondContact CD-OH 3.37Å; R370-Y412 HydrophobicContact CG-CD2 4.38Å; R370-Y412 HydrophobicContact CG-CE2 3.9Å; R370-Y412 PolarHBondContact NH1-OH 3.32Å |
| 371 | N | 87.9 | Confident | 82 | Confident | 82 Ų | 82 | 69.7 Ų | 69.7 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 44.4 | -177.5 | -58.5 | -34.3 | 0 | 0 | 0 | 112.6 | V373 G410 L411 | N371-V373 PolarHBondContact O-N 3.25Å; N371-V373 VanDerWaalsContact O-N 3.11Å; N371-G410 WeakPolarHBondContact OD1-CA 3.28Å; N371-L411 PolarHBondContact N-O 2.89Å; N371-L411 PolarHBondContact OD1-N 2.92Å |
| 372 | D | 80.2 | Confident | 82.6 | Confident | 83 Ų | 83 | 62.2 Ų | 62.2 | 44% | 0.444 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 10.3 | -174.9 | -55 | -55.1 | 0 | 0 | 0 | 115.1 | R370 K427 | R370-D372 VanDerWaalsContact C-N 3.26Å; R370-D372 PolarHBondContact O-N 2.95Å; D372-K427 WeakPolarHBondContact OD1-CE 3.48Å; D372-K427 IonicContact OD1-NZ 2.76Å; D372-K427 PolarHBondContact OD1-NZ 3.22Å; D372-K427 IonicContact OD2-NZ 2.85Å; D372-K427 PolarHBondContact OD2-NZ 2.63Å |
| 373 | V | 77.8 | Confident | 83.2 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.8 | 171.9 | 176.1 | 0 | 0 | 0 | 0 | 109.1 | S369 R370 N371 L375 | S369-V373 CarbonylContact C-O 3.5Å; S369-V373 WeakPolarHBondContact CA-O 3.26Å; S369-V373 WeakPolarHBondContact CB-O 3.11Å; R370-V373 PolarHBondContact N-O 2.87Å; R370-V373 WeakPolarHBondContact O-CA 3.11Å; R370-V373 WeakPolarHBondContact O-CB 3.33Å; R370-V373 PolarHBondContact O-N 3.21Å; N371-V373 PolarHBondContact O-N 3.25Å; N371-V373 VanDerWaalsContact O-N 3.11Å; V373-L375 PolarHBondContact O-N 2.55Å |
| 374 | R | 77.4 | Confident | 83.7 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 133.5 | 176.3 | 179.6 | 165.9 | -178.7 | 177.4 | -8.8 | 111.8 | E206 Y367 W368 Y376 | E206-R374 IonicContact OE1-CZ 3.53Å; E206-R374 IonicContact OE1-NH1 3.57Å; E206-R374 IonicContact OE1-NH2 2.93Å; E206-R374 PolarHBondContact OE1-NH2 3.11Å; E206-R374 IonicContact OE2-CZ 3.98Å; E206-R374 IonicContact OE2-NH1 3.89Å; E206-R374 PolarHBondContact OE2-NH1 2.92Å; E206-R374 IonicContact OE2-NH2 3.64Å; E206-R374 PolarHBondContact OE2-NH2 3.16Å; Y367-R374 HydrophobicContact CD2-CB 4.26Å; Y367-R374 VanDerWaalsContact CD2-CD 3.44Å; Y367-R374 HydrophobicContact CD2-CG 3.57Å; Y367-R374 HydrophobicContact CE2-CB 4.28Å; Y367-R374 HydrophobicContact CE2-CG 4.02Å; Y367-R374 HydrophobicContact CG-CG 4.21Å; Y367-R374 VanDerWaalsContact CG-CZ 3.49Å; Y367-R374 VanDerWaalsContact CG-NE 3.28Å; W368-R374 CarbonylContact O-C 3.09Å; W368-R374 WeakPolarHBondContact O-CA 3.3Å; R374-Y376 HydrophobicContact CB-CE2 4.32Å; R374-Y376 HydrophobicContact CG-CE1 4.34Å; R374-Y376 HydrophobicContact CG-CE2 4.23Å |
| 375 | L | 85.3 | Confident | 83.8 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 10% | 0.099 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -87.6 | 139.4 | 174.2 | -63.3 | 175.6 | 0 | 0 | 0 | 110.1 | W368 R370 V373 L383 L399 Y412 | W368-L375 HydrophobicContact CB-CD1 4.17Å; W368-L375 PolarHBondContact O-N 3.21Å; R370-L375 HydrophobicContact CB-CD1 4.2Å; R370-L375 HydrophobicContact CB-CD2 3.81Å; R370-L375 HydrophobicContact CB-CG 4.17Å; V373-L375 PolarHBondContact O-N 2.55Å; L375-L383 HydrophobicContact CB-CD1 4.16Å; L375-L383 HydrophobicContact CD2-CD1 4.07Å; L375-L399 HydrophobicContact CD1-CD1 4.49Å; L375-L399 HydrophobicContact CD1-CD2 3.59Å; L375-Y412 HydrophobicContact CD1-CD1 3.79Å; L375-Y412 HydrophobicContact CD1-CE1 3.43Å; L375-Y412 VanDerWaalsContact CD1-CE1 3.43Å |
| 376 | Y | 78.4 | Confident | 84.1 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | trans | -120.4 | 102.7 | 178.8 | -65.3 | -82.3 | 0 | 0 | 0 | 109.1 | E206 R374 F378 N381 | E206-Y376 HydrophobicContact CB-CE1 4.06Å; R374-Y376 HydrophobicContact CB-CE2 4.32Å; R374-Y376 HydrophobicContact CG-CE1 4.34Å; R374-Y376 HydrophobicContact CG-CE2 4.23Å; Y376-F378 WeakPolarHBondContact O-CD1 3.18Å; Y376-F378 PolarHBondContact O-N 2.75Å; Y376-N381 PolarHBondContact O-ND2 2.76Å | ||
| 377 | P | 75.9 | Confident | 84.3 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | trans | -64.8 | 116.2 | 171.3 | -20.7 | 34.4 | 0 | 0 | 0 | 109.4 | L383 T385 | P377-L383 HydrophobicContact CB-CB 4.36Å; P377-L383 WeakPolarHBondContact CB-O 3.21Å; P377-T385 HydrophobicContact CB-CG2 4.39Å; P377-T385 HydrophobicContact CG-CG2 3.33Å; P377-T385 WeakPolarHBondContact CG-OG1 3.1Å | ||
| 378 | F | 73.7 | Confident | 84.6 | Confident | 119 Ų | 119 | 67.4 Ų | 67.4 | 52% | 0.522 | 35% | 0.345 | S | S | . | . | trans | -139.2 | 162 | 173.2 | 60.7 | -97.3 | 0 | 0 | 0 | 109.9 | Y376 N380 N381 | Y376-F378 WeakPolarHBondContact O-CD1 3.18Å; Y376-F378 PolarHBondContact O-N 2.75Å; F378-N380 PolarHBondContact O-N 2.81Å; F378-N380 VanDerWaalsContact O-N 3.09Å; F378-N381 HydrophobicContact CD1-CB 4.34Å; F378-N381 VanDerWaalsContact CD1-ND2 3.26Å; F378-N381 WeakPolarHBondContact CD1-ND2 3.45Å; F378-N381 HydrophobicContact CD2-CB 4.07Å; F378-N381 HydrophobicContact CE1-CB 3.91Å; F378-N381 WeakPolarHBondContact CE1-ND2 3.33Å; F378-N381 HydrophobicContact CE2-CB 3.63Å; F378-N381 HydrophobicContact CG-CB 4.4Å; F378-N381 HydrophobicContact CZ-CB 3.53Å; F378-N381 PolarHBondContact N-OD1 3.01Å; F378-N381 PolarHBondContact O-N 3.37Å; F378-N381 PolarHBondContact O-OD1 3.25Å | ||
| 379 | R | 65.4 | Low | 84.6 | Confident | 231 Ų | 231 | 73.6 Ų | 73.6 | 87% | 0.872 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 123.4 | 179.9 | -82.5 | -170 | -79.9 | -128.4 | -1.4 | 110.2 | ||
| 380 | N | 71.9 | Confident | 84.6 | Confident | 166 Ų | 166 | 75.9 Ų | 75.9 | 89% | 0.888 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 17.9 | 174.4 | -45 | -19.3 | 0 | 0 | 0 | 117.2 | F378 | F378-N380 PolarHBondContact O-N 2.81Å; F378-N380 VanDerWaalsContact O-N 3.09Å |
| 381 | N | 80.7 | Confident | 84.5 | Confident | 48 Ų | 48 | 79.2 Ų | 79.2 | 26% | 0.257 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -107 | 12.8 | 171.2 | 77.2 | -19.2 | 0 | 0 | 0 | 115.1 | Y376 F378 L383 | Y376-N381 PolarHBondContact O-ND2 2.76Å; F378-N381 HydrophobicContact CD1-CB 4.34Å; F378-N381 VanDerWaalsContact CD1-ND2 3.26Å; F378-N381 WeakPolarHBondContact CD1-ND2 3.45Å; F378-N381 HydrophobicContact CD2-CB 4.07Å; F378-N381 HydrophobicContact CE1-CB 3.91Å; F378-N381 WeakPolarHBondContact CE1-ND2 3.33Å; F378-N381 HydrophobicContact CE2-CB 3.63Å; F378-N381 HydrophobicContact CG-CB 4.4Å; F378-N381 HydrophobicContact CZ-CB 3.53Å; F378-N381 PolarHBondContact N-OD1 3.01Å; F378-N381 PolarHBondContact O-N 3.37Å; F378-N381 PolarHBondContact O-OD1 3.25Å; N381-L383 PolarHBondContact O-N 2.76Å; N381-L383 WeakPolarHBondContact OD1-CB 3.43Å; N381-L383 PolarHBondContact OD1-N 3.31Å; N381-L383 VanDerWaalsContact OD1-N 3.16Å; N381-L383 PolarHBondContact OD1-O 3.15Å |
| 382 | G | 87.6 | Confident | 84.4 | Confident | 21 Ų | 21 | 80.8 Ų | 80.8 | 22% | 0.216 | 43% | 0.431 | C | S | . | . | S | Bend | trans | 67.8 | -1.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V401 E402 | G382-V401 CarbonylContact O-C 3.6Å; G382-V401 WeakPolarHBondContact O-CA 3.42Å; G382-E402 WeakPolarHBondContact O-CB 3.48Å; G382-E402 PolarHBondContact O-N 3.42Å |
| 383 | L | 92.1 | Very high | 84.8 | Confident | 16 Ų | 16 | 78.4 Ų | 78.4 | 8% | 0.084 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.7 | 178.8 | -58.3 | 178.4 | 0 | 0 | 0 | 109.7 | L375 P377 N381 L399 M400 V401 | L375-L383 HydrophobicContact CB-CD1 4.16Å; L375-L383 HydrophobicContact CD2-CD1 4.07Å; P377-L383 HydrophobicContact CB-CB 4.36Å; P377-L383 WeakPolarHBondContact CB-O 3.21Å; N381-L383 PolarHBondContact O-N 2.76Å; N381-L383 WeakPolarHBondContact OD1-CB 3.43Å; N381-L383 PolarHBondContact OD1-N 3.31Å; N381-L383 VanDerWaalsContact OD1-N 3.16Å; N381-L383 PolarHBondContact OD1-O 3.15Å; L383-L399 HydrophobicContact CD2-CD1 4.41Å; L383-M400 WeakPolarHBondContact CA-O 3.4Å; L383-V401 HydrophobicContact CD2-CB 4.08Å; L383-V401 HydrophobicContact CD2-CG1 3.75Å; L383-V401 HydrophobicContact CD2-CG2 3.77Å |
| 384 | T | 92.2 | Very high | 85.6 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 37% | 0.368 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.5 | 168.2 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | L399 M400 | T384-L399 CarbonylContact O-C 3.54Å; T384-L399 WeakPolarHBondContact O-CA 3.2Å; T384-M400 PolarHBondContact N-O 3.25Å; T384-M400 PolarHBondContact O-N 3.37Å; T384-M400 WeakPolarHBondContact OG1-CB 3.47Å |
| 385 | T | 92.2 | Very high | 86.4 | Confident | 68 Ų | 68 | 76.8 Ų | 76.8 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.4 | 173 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | P377 S398 L399 | P377-T385 HydrophobicContact CB-CG2 4.39Å; P377-T385 HydrophobicContact CG-CG2 3.33Å; P377-T385 WeakPolarHBondContact CG-OG1 3.1Å; T385-S398 CarbonylContact C-O 3.32Å; T385-S398 WeakPolarHBondContact CA-O 3.29Å; T385-L399 HydrophobicContact CG2-CB 4.38Å; T385-L399 HydrophobicContact CG2-CD1 3.65Å |
| 386 | S | 94.2 | Very high | 87 | Confident | 52 Ų | 52 | 77 Ų | 77 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 151.1 | 170.7 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | A397 S398 | S386-A397 CarbonylContact O-C 3.58Å; S386-A397 WeakPolarHBondContact O-CA 3.18Å; S386-S398 PolarHBondContact N-O 3.05Å; S386-S398 PolarHBondContact O-N 3.12Å |
| 387 | V | 94.3 | Very high | 87.8 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 38% | 0.376 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.7 | 174.5 | 178.6 | 0 | 0 | 0 | 0 | 107.1 | F366 W395 T396 A397 | F366-V387 HydrophobicContact CB-CG2 4.05Å; F366-V387 HydrophobicContact CD2-CG1 3.7Å; F366-V387 HydrophobicContact CD2-CG2 4Å; F366-V387 HydrophobicContact CE2-CG1 3.94Å; F366-V387 HydrophobicContact CG-CG2 4.37Å; V387-W395 HydrophobicContact CG1-CE3 3.67Å; V387-W395 HydrophobicContact CG1-CZ3 4.22Å; V387-T396 CarbonylContact C-O 3.59Å; V387-T396 WeakPolarHBondContact CA-O 3.3Å; V387-A397 HydrophobicContact CG2-CB 4.18Å |
| 388 | Q | 94.3 | Very high | 88.9 | Confident | 128 Ų | 128 | 73 Ų | 73 | 60% | 0.598 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138.3 | -177.3 | -64.1 | -177.5 | -13.9 | 0 | 0 | 109.9 | W395 T396 | Q388-W395 CarbonylContact O-C 3.51Å; Q388-W395 WeakPolarHBondContact O-CA 3.08Å; Q388-T396 PolarHBondContact N-O 3Å; Q388-T396 PolarHBondContact O-N 3.18Å |
| 389 | R | 92.7 | Very high | 90 | Very high | 135 Ų | 135 | 67.4 Ų | 67.4 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123 | 173 | -172.8 | -178.9 | -83 | -95.9 | 15.6 | 108.9 | G393 W395 | R389-G393 PolarHBondContact NH1-O 2.9Å; R389-G393 VanDerWaalsContact NH1-O 3.15Å; R389-W395 HydrophobicContact CB-CD2 3.96Å; R389-W395 HydrophobicContact CB-CE3 3.75Å; R389-W395 HydrophobicContact CB-CH2 4.29Å; R389-W395 HydrophobicContact CB-CZ2 4.46Å; R389-W395 HydrophobicContact CB-CZ3 3.92Å; R389-W395 HydrophobicContact CG-CD2 4.26Å; R389-W395 VanDerWaalsContact CZ-CZ2 3.43Å; R389-W395 VanDerWaalsContact NE-CE2 3.34Å; R389-W395 VanDerWaalsContact NH2-NE1 3.19Å |
| 390 | N | 91.4 | Very high | 91.4 | Very high | 51 Ų | 51 | 60 Ų | 60 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | trans | -79.2 | 157.4 | 177.8 | -58.3 | -13.3 | 0 | 0 | 0 | 110.5 | T392 G393 S394 T396 | N390-T392 PolarHBondContact O-N 2.83Å; N390-T392 VanDerWaalsContact O-N 3.14Å; N390-G393 PolarHBondContact O-N 2.82Å; N390-S394 WeakPolarHBondContact CB-O 3.13Å; N390-S394 PolarHBondContact N-O 3.21Å; N390-S394 PolarHBondContact ND2-OG 2.59Å; N390-T396 PolarHBondContact ND2-OG1 3.18Å; N390-T396 PolarHBondContact OD1-OG1 2.9Å | ||
| 391 | A | 89 | Confident | 92.6 | Very high | 117 Ų | 117 | 52.2 Ų | 52.2 | 97% | 0.967 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G393 | A391-G393 PolarHBondContact O-N 3.11Š|
| 392 | T | 86.7 | Confident | 93.2 | Very high | 116 Ų | 116 | 54 Ų | 54 | 71% | 0.712 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -6.2 | 175.4 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | N390 S394 | N390-T392 PolarHBondContact O-N 2.83Å; N390-T392 VanDerWaalsContact O-N 3.14Å; T392-S394 VanDerWaalsContact C-N 3.32Å; T392-S394 PolarHBondContact OG1-OG 2.84Å; T392-S394 VanDerWaalsContact OG1-OG 3.06Å |
| 393 | G | 87.6 | Confident | 93.5 | Very high | 33 Ų | 33 | 56 Ų | 56 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 89.5 | -12.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R389 N390 A391 | R389-G393 PolarHBondContact NH1-O 2.9Å; R389-G393 VanDerWaalsContact NH1-O 3.15Å; N390-G393 PolarHBondContact O-N 2.82Å; A391-G393 PolarHBondContact O-N 3.11Å |
| 394 | S | 94.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | trans | -72.1 | 162.1 | 171.7 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | N390 T392 | N390-S394 WeakPolarHBondContact CB-O 3.13Å; N390-S394 PolarHBondContact N-O 3.21Å; N390-S394 PolarHBondContact ND2-OG 2.59Å; T392-S394 VanDerWaalsContact C-N 3.32Å; T392-S394 PolarHBondContact OG1-OG 2.84Å; T392-S394 VanDerWaalsContact OG1-OG 3.06Å | ||
| 395 | W | 95.3 | Very high | 93.7 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 20% | 0.197 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.7 | 172.7 | -65.9 | 84.4 | 0 | 0 | 0 | 109.9 | S356 A357 L364 F366 V387 Q388 R389 | S356-W395 CarbonylContact C-O 3.57Å; S356-W395 WeakPolarHBondContact CA-O 3.1Å; A357-W395 PolarHBondContact N-O 3.44Å; A357-W395 PolarHBondContact O-N 3.07Å; L364-W395 HydrophobicContact CB-CG 4.38Å; L364-W395 HydrophobicContact CD1-CB 4.48Å; L364-W395 HydrophobicContact CD1-CG 4.48Å; F366-W395 HydrophobicContact CE2-CB 3.51Å; F366-W395 HydrophobicContact CE2-CG 4.3Å; F366-W395 HydrophobicContact CZ-CB 3.7Å; V387-W395 HydrophobicContact CG1-CE3 3.67Å; V387-W395 HydrophobicContact CG1-CZ3 4.22Å; Q388-W395 CarbonylContact O-C 3.51Å; Q388-W395 WeakPolarHBondContact O-CA 3.08Å; R389-W395 HydrophobicContact CB-CD2 3.96Å; R389-W395 HydrophobicContact CB-CE3 3.75Å; R389-W395 HydrophobicContact CB-CH2 4.29Å; R389-W395 HydrophobicContact CB-CZ2 4.46Å; R389-W395 HydrophobicContact CB-CZ3 3.92Å; R389-W395 HydrophobicContact CG-CD2 4.26Å; R389-W395 VanDerWaalsContact CZ-CZ2 3.43Å; R389-W395 VanDerWaalsContact NE-CE2 3.34Å; R389-W395 VanDerWaalsContact NH2-NE1 3.19Å |
| 396 | T | 96.7 | Very high | 93.7 | Very high | 24 Ų | 24 | 57.3 Ų | 57.3 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124.6 | 173.2 | -50.3 | 0 | 0 | 0 | 0 | 109.3 | S356 V387 Q388 N390 | S356-T396 PolarHBondContact OG-OG1 2.93Å; V387-T396 CarbonylContact C-O 3.59Å; V387-T396 WeakPolarHBondContact CA-O 3.3Å; Q388-T396 PolarHBondContact N-O 3Å; Q388-T396 PolarHBondContact O-N 3.18Å; N390-T396 PolarHBondContact ND2-OG1 3.18Å; N390-T396 PolarHBondContact OD1-OG1 2.9Å |
| 397 | A | 96.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.008 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 135.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | N354 C355 F366 S386 V387 | N354-A397 CarbonylContact C-O 3.55Å; N354-A397 WeakPolarHBondContact CA-O 3.15Å; C355-A397 PolarHBondContact N-O 3.14Å; C355-A397 PolarHBondContact O-N 2.94Å; F366-A397 HydrophobicContact CB-CB 3.61Å; F366-A397 HydrophobicContact CD1-CB 3.52Å; F366-A397 HydrophobicContact CD2-CB 4.13Å; F366-A397 HydrophobicContact CE1-CB 4.11Å; F366-A397 HydrophobicContact CG-CB 3.5Å; F366-A397 VanDerWaalsContact CG-CB 3.5Å; S386-A397 CarbonylContact O-C 3.58Å; S386-A397 WeakPolarHBondContact O-CA 3.18Å; V387-A397 HydrophobicContact CG2-CB 4.18Å |
| 398 | S | 97.1 | Very high | 93.6 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.3 | 174.6 | -58.8 | 0 | 0 | 0 | 0 | 109.7 | F353 N354 T385 S386 | F353-S398 CarbonylContact O-C 3.49Å; F353-S398 VanDerWaalsContact O-CA 3.26Å; F353-S398 WeakPolarHBondContact O-CA 3.39Å; N354-S398 WeakPolarHBondContact OD1-CB 3.38Å; N354-S398 PolarHBondContact OD1-OG 3.22Å; T385-S398 CarbonylContact C-O 3.32Å; T385-S398 WeakPolarHBondContact CA-O 3.29Å; S386-S398 PolarHBondContact N-O 3.05Å; S386-S398 PolarHBondContact O-N 3.12Å |
| 399 | L | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.7 | 168.8 | 171.5 | 70.7 | 0 | 0 | 0 | 108.2 | A352 F353 W368 L375 L383 T384 T385 V401 Y412 | A352-L399 CarbonylContact C-O 3.55Å; A352-L399 VanDerWaalsContact CA-O 3.24Å; A352-L399 WeakPolarHBondContact CA-O 3.24Å; F353-L399 HydrophobicContact CB-CB 4.4Å; F353-L399 HydrophobicContact CD2-CD2 4.15Å; F353-L399 PolarHBondContact N-O 3.34Å; F353-L399 PolarHBondContact O-N 2.98Å; W368-L399 HydrophobicContact CB-CD2 3.84Å; W368-L399 HydrophobicContact CD2-CB 3.75Å; W368-L399 HydrophobicContact CD2-CD2 4.07Å; W368-L399 HydrophobicContact CE3-CB 4.42Å; W368-L399 HydrophobicContact CE3-CD2 4.28Å; W368-L399 HydrophobicContact CG-CB 3.78Å; W368-L399 HydrophobicContact CG-CD2 3.88Å; W368-L399 HydrophobicContact CG-CG 4.3Å; W368-L399 HydrophobicContact CZ2-CB 4.29Å; L375-L399 HydrophobicContact CD1-CD1 4.49Å; L375-L399 HydrophobicContact CD1-CD2 3.59Å; L383-L399 HydrophobicContact CD2-CD1 4.41Å; T384-L399 CarbonylContact O-C 3.54Å; T384-L399 WeakPolarHBondContact O-CA 3.2Å; T385-L399 HydrophobicContact CG2-CB 4.38Å; T385-L399 HydrophobicContact CG2-CD1 3.65Å; L399-V401 HydrophobicContact CD2-CG2 4.38Å; L399-V401 HydrophobicContact CG-CG2 4.3Å; L399-Y412 HydrophobicContact CD2-CD1 3.55Å; L399-Y412 HydrophobicContact CD2-CE1 3.61Å |
| 400 | M | 96 | Very high | 93.8 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 38% | 0.379 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.7 | 173.8 | 178.9 | 175.3 | 176.3 | 0 | 0 | 109 | T350 V351 L383 T384 E402 | T350-M400 HydrophobicContact CG2-CE 3.3Å; T350-M400 HydrophobicContact CG2-CG 3.59Å; T350-M400 HydrophobicContact CG2-SD 4.23Å; V351-M400 CarbonylContact O-C 3.25Å; V351-M400 VanDerWaalsContact O-CA 3.23Å; V351-M400 WeakPolarHBondContact O-CA 3.42Å; L383-M400 WeakPolarHBondContact CA-O 3.4Å; T384-M400 PolarHBondContact N-O 3.25Å; T384-M400 PolarHBondContact O-N 3.37Å; T384-M400 WeakPolarHBondContact OG1-CB 3.47Å; M400-E402 HydrophobicContact CE-CG 4.34Å; M400-E402 HydrophobicContact CG-CG 4.36Å |
| 401 | V | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 103.6 | 179.4 | -168 | 0 | 0 | 0 | 0 | 106.5 | T350 V351 G382 L383 L399 V404 D408 Y412 | T350-V401 CarbonylContact C-O 3.57Å; T350-V401 VanDerWaalsContact CA-O 3.31Å; T350-V401 WeakPolarHBondContact CA-O 3.46Å; V351-V401 PolarHBondContact N-O 3.04Å; V351-V401 PolarHBondContact O-N 3.45Å; G382-V401 CarbonylContact O-C 3.6Å; G382-V401 WeakPolarHBondContact O-CA 3.42Å; L383-V401 HydrophobicContact CD2-CB 4.08Å; L383-V401 HydrophobicContact CD2-CG1 3.75Å; L383-V401 HydrophobicContact CD2-CG2 3.77Å; L399-V401 HydrophobicContact CD2-CG2 4.38Å; L399-V401 HydrophobicContact CG-CG2 4.3Å; V401-V404 HydrophobicContact CB-CG1 3.98Å; V401-V404 HydrophobicContact CG1-CG1 3.71Å; V401-D408 HydrophobicContact CG1-CB 4.32Å; V401-Y412 HydrophobicContact CG2-CE1 4.23Å |
| 402 | E | 94.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 42.9 Ų | 42.9 | 40% | 0.397 | 25% | 0.254 | S | S | . | . | trans | -85.6 | 139 | -177.8 | -61.1 | 175 | 178.5 | 0 | 0 | 110.6 | T350 G382 M400 V404 | T350-E402 HydrophobicContact CG2-CB 4.47Å; T350-E402 HydrophobicContact CG2-CG 4.07Å; G382-E402 WeakPolarHBondContact O-CB 3.48Å; G382-E402 PolarHBondContact O-N 3.42Å; M400-E402 HydrophobicContact CE-CG 4.34Å; M400-E402 HydrophobicContact CG-CG 4.36Å; E402-V404 PolarHBondContact O-N 3.38Å | ||
| 403 | A | 94.1 | Very high | 94.8 | Very high | 64 Ų | 64 | 40 Ų | 40 | 53% | 0.529 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 49.8 | 56.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | D349 | D349-A403 WeakPolarHBondContact O-CA 3.16Å; D349-A403 PolarHBondContact O-N 2.97Å |
| 404 | V | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -54.6 | 143 | -174.4 | -61.1 | 0 | 0 | 0 | 0 | 112 | A345 V346 E347 G348 D349 V351 V401 E402 V432 | A345-V404 HydrophobicContact CB-CG2 4.13Å; V346-V404 VanDerWaalsContact O-CG2 3.29Å; V346-V404 WeakPolarHBondContact O-CG2 3.39Å; E347-V404 CarbonylContact C-O 3.59Å; E347-V404 VanDerWaalsContact CA-O 3.26Å; E347-V404 WeakPolarHBondContact CA-O 3.14Å; E347-V404 WeakPolarHBondContact CG-O 3.37Å; G348-V404 PolarHBondContact N-O 2.98Å; D349-V404 HydrophobicContact CB-CG2 4.18Å; D349-V404 PolarHBondContact O-N 3Å; V351-V404 HydrophobicContact CB-CG1 4.22Å; V351-V404 HydrophobicContact CG2-CG1 3.92Å; V401-V404 HydrophobicContact CB-CG1 3.98Å; V401-V404 HydrophobicContact CG1-CG1 3.71Å; E402-V404 PolarHBondContact O-N 3.38Å; V404-V432 HydrophobicContact CB-CG2 4.39Å; V404-V432 HydrophobicContact CG2-CG1 4.2Å; V404-V432 HydrophobicContact CG2-CG2 4.36Å | ||
| 405 | D | 92.9 | Very high | 95 | Very high | 57 Ų | 57 | 39 Ų | 39 | 31% | 0.305 | 22% | 0.216 | S | C | . | . | trans | -125.4 | 177.4 | 171.7 | 72.6 | 28.4 | 0 | 0 | 0 | 112.4 | T407 D408 V432 | D405-T407 PolarHBondContact O-N 3.42Å; D405-T407 VanDerWaalsContact O-N 3.15Å; D405-T407 VanDerWaalsContact OD1-CA 3.28Å; D405-T407 WeakPolarHBondContact OD1-CA 3.19Å; D405-T407 WeakPolarHBondContact OD1-CB 3.18Å; D405-T407 PolarHBondContact OD1-N 3.14Å; D405-T407 PolarHBondContact OD1-OG1 3.46Å; D405-D408 PolarHBondContact N-OD2 3.09Å; D405-D408 WeakPolarHBondContact O-CB 3.45Å; D405-D408 PolarHBondContact O-N 3.46Å; D405-D408 PolarHBondContact OD1-N 2.97Å; D405-V432 WeakPolarHBondContact O-CG2 3.43Å | ||
| 406 | E | 90.4 | Very high | 94.9 | Very high | 115 Ų | 115 | 36.5 Ų | 36.5 | 54% | 0.537 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -57.4 | -29.7 | 179.4 | -69.5 | -166.9 | 100.9 | 0 | 0 | 113.7 | D408 A409 V434 | E406-D408 PolarHBondContact O-N 3.11Å; E406-A409 WeakPolarHBondContact O-CB 3.24Å; E406-A409 PolarHBondContact O-N 3.5Å; E406-V434 VanDerWaalsContact CD-CG2 3.42Å; E406-V434 HydrophobicContact CG-CG2 3.17Å |
| 407 | T | 91.6 | Very high | 94.3 | Very high | 97 Ų | 97 | 36.4 Ų | 36.4 | 60% | 0.595 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -74.1 | -15.6 | -179.3 | 81.4 | 0 | 0 | 0 | 0 | 112.3 | R370 D405 | R370-T407 PolarHBondContact NH2-O 2.87Å; D405-T407 PolarHBondContact O-N 3.42Å; D405-T407 VanDerWaalsContact O-N 3.15Å; D405-T407 VanDerWaalsContact OD1-CA 3.28Å; D405-T407 WeakPolarHBondContact OD1-CA 3.19Å; D405-T407 WeakPolarHBondContact OD1-CB 3.18Å; D405-T407 PolarHBondContact OD1-N 3.14Å; D405-T407 PolarHBondContact OD1-OG1 3.46Å |
| 408 | D | 95 | Very high | 93.6 | Very high | 22 Ų | 22 | 37 Ų | 37 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -81.6 | -15.6 | 174.1 | -67.7 | -42.9 | 0 | 0 | 0 | 114.3 | R370 V401 D405 E406 Y412 L430 | R370-D408 WeakPolarHBondContact CD-O 3.48Å; R370-D408 IonicContact CZ-OD1 3.96Å; R370-D408 IonicContact NH1-OD1 3.45Å; R370-D408 PolarHBondContact NH1-OD1 3.03Å; R370-D408 IonicContact NH2-OD1 2.79Å; V401-D408 HydrophobicContact CG1-CB 4.32Å; D405-D408 PolarHBondContact N-OD2 3.09Å; D405-D408 WeakPolarHBondContact O-CB 3.45Å; D405-D408 PolarHBondContact O-N 3.46Å; D405-D408 PolarHBondContact OD1-N 2.97Å; E406-D408 PolarHBondContact O-N 3.11Å; D408-Y412 WeakPolarHBondContact O-CE2 3.4Å; D408-Y412 PolarHBondContact O-OH 3.39Å; D408-L430 HydrophobicContact CB-CD2 4.33Å |
| 409 | A | 95.4 | Very high | 92.2 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 31% | 0.306 | 23% | 0.227 | S | C | . | . | trans | -60 | 141.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | E406 L430 V432 | E406-A409 WeakPolarHBondContact O-CB 3.24Å; E406-A409 PolarHBondContact O-N 3.5Å; A409-L430 WeakPolarHBondContact CA-O 3.35Å; A409-V432 HydrophobicContact CB-CG2 4.28Å | ||
| 410 | G | 95.7 | Very high | 90.8 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 16% | 0.155 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.2 | -170.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N371 P429 L430 | N371-G410 WeakPolarHBondContact OD1-CA 3.28Å; G410-P429 CarbonylContact O-C 3.39Å; G410-P429 WeakPolarHBondContact O-CA 3.47Å; G410-L430 PolarHBondContact N-O 3.09Å; G410-L430 VanDerWaalsContact N-O 3.12Å; G410-L430 PolarHBondContact O-N 2.9Å |
| 411 | L | 96.1 | Very high | 89.8 | Confident | 70 Ų | 70 | 41 Ų | 41 | 37% | 0.366 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.1 | -177.8 | -64.3 | 177 | 0 | 0 | 0 | 111.4 | R370 N371 K427 V428 P429 | R370-L411 CarbonylContact C-O 3.51Å; R370-L411 WeakPolarHBondContact CA-O 3.49Å; N371-L411 PolarHBondContact N-O 2.89Å; N371-L411 PolarHBondContact OD1-N 2.92Å; L411-K427 HydrophobicContact CB-CB 4.36Å; L411-K427 HydrophobicContact CB-CD 4.4Å; L411-K427 HydrophobicContact CD1-CD 4.22Å; L411-V428 CarbonylContact C-O 3.56Å; L411-V428 WeakPolarHBondContact CA-O 3.41Å; L411-P429 HydrophobicContact CD2-CB 4.05Å |
| 412 | Y | 97.1 | Very high | 89 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 143.1 | 179.6 | -74.7 | -107.6 | 0 | 0 | 0 | 111.8 | F353 S369 R370 L375 L399 V401 D408 K427 V428 L430 | F353-Y412 AromaticContact CD2-CD1 3.96Å; F353-Y412 HydrophobicContact CD2-CD1 3.96Å; F353-Y412 HydrophobicContact CD2-CE1 4.36Å; F353-Y412 HydrophobicContact CD2-CG 4.21Å; F353-Y412 AromaticContact CE2-CD1 3.79Å; F353-Y412 HydrophobicContact CE2-CD1 3.79Å; F353-Y412 HydrophobicContact CE2-CD2 4.03Å; F353-Y412 AromaticContact CE2-CE1 3.99Å; F353-Y412 HydrophobicContact CE2-CE1 3.99Å; F353-Y412 HydrophobicContact CE2-CE2 4.28Å; F353-Y412 AromaticContact CE2-CG 3.78Å; F353-Y412 HydrophobicContact CE2-CG 3.78Å; F353-Y412 HydrophobicContact CZ-CD1 4.47Å; F353-Y412 HydrophobicContact CZ-CD2 4.01Å; F353-Y412 HydrophobicContact CZ-CE2 4.49Å; F353-Y412 HydrophobicContact CZ-CG 4.01Å; S369-Y412 CarbonylContact O-C 3.29Å; S369-Y412 VanDerWaalsContact O-CA 3.24Å; S369-Y412 WeakPolarHBondContact O-CA 3.25Å; R370-Y412 HydrophobicContact CB-CE1 4.3Å; R370-Y412 HydrophobicContact CB-CE2 4.31Å; R370-Y412 WeakPolarHBondContact CD-OH 3.37Å; R370-Y412 HydrophobicContact CG-CD2 4.38Å; R370-Y412 HydrophobicContact CG-CE2 3.9Å; R370-Y412 PolarHBondContact NH1-OH 3.32Å; L375-Y412 HydrophobicContact CD1-CD1 3.79Å; L375-Y412 HydrophobicContact CD1-CE1 3.43Å; L375-Y412 VanDerWaalsContact CD1-CE1 3.43Å; L399-Y412 HydrophobicContact CD2-CD1 3.55Å; L399-Y412 HydrophobicContact CD2-CE1 3.61Å; V401-Y412 HydrophobicContact CG2-CE1 4.23Å; D408-Y412 WeakPolarHBondContact O-CE2 3.4Å; D408-Y412 PolarHBondContact O-OH 3.39Å; Y412-K427 CarbonylContact O-C 3.54Å; Y412-K427 WeakPolarHBondContact O-CA 3.33Å; Y412-V428 PolarHBondContact N-O 2.89Å; Y412-V428 PolarHBondContact O-N 2.66Å; Y412-L430 HydrophobicContact CD2-CB 3.96Å; Y412-L430 HydrophobicContact CE2-CB 3.65Å; Y412-L430 HydrophobicContact CE2-CD2 3.84Å; Y412-L430 HydrophobicContact CE2-CG 4.39Å |
| 413 | R | 95.1 | Very high | 88.6 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 21% | 0.211 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 141.4 | 178.3 | 169.2 | 177.6 | -85.5 | 175.3 | -9 | 110.8 | W368 S369 S425 K427 | W368-R413 CarbonylContact C-O 3.54Å; W368-R413 VanDerWaalsContact CA-O 3.31Å; W368-R413 WeakPolarHBondContact CA-O 3.44Å; S369-R413 PolarHBondContact N-O 2.87Å; S369-R413 PolarHBondContact O-N 2.85Å; S369-R413 PolarHBondContact OG-O 3Å; R413-S425 PolarHBondContact NE-O 2.99Å; R413-S425 PolarHBondContact NH2-O 2.91Å; R413-K427 HydrophobicContact CB-CG 4.27Å |
| 414 | C | 95.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 146.9 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | C355 W368 S425 | C355-C414 HydrophobicContact CB-CB 3.42Å; C355-C414 VanDerWaalsContact CB-CB 3.42Å; C355-C414 WeakPolarHBondContact CB-SG 3.18Å; C355-C414 WeakPolarHBondContact SG-CB 3.32Å; C355-C414 PolarHBondContact SG-SG 3.19Å; W368-C414 HydrophobicContact CD2-CB 4.08Å; W368-C414 HydrophobicContact CE3-CB 3.86Å; W368-C414 HydrophobicContact CH2-CB 3.8Å; W368-C414 HydrophobicContact CZ2-CB 4.01Å; W368-C414 HydrophobicContact CZ3-CB 3.73Å; C414-S425 PolarHBondContact N-OG 2.9Å; C414-S425 PolarHBondContact O-N 3.01Å |
| 415 | H | 91.5 | Very high | 88.4 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 117 | -179.8 | -61.7 | -117.9 | 0 | 0 | 0 | 108.9 | F366 Y367 S369 V422 L424 | F366-H415 VanDerWaalsContact CA-O 3.26Å; F366-H415 WeakPolarHBondContact CA-O 3.29Å; Y367-H415 HydrophobicContact CD1-CB 3.73Å; Y367-H415 HydrophobicContact CD2-CB 3.88Å; Y367-H415 AromaticContact CD2-CD2 3.65Å; Y367-H415 AromaticContact CD2-CG 3.76Å; Y367-H415 HydrophobicContact CE1-CB 3.44Å; Y367-H415 VanDerWaalsContact CE1-CB 3.44Å; Y367-H415 AromaticContact CE1-CG 3.88Å; Y367-H415 HydrophobicContact CE2-CB 3.62Å; Y367-H415 AromaticContact CE2-CD2 3.27Å; Y367-H415 WeakPolarHBondContact CE2-CD2 3.33Å; Y367-H415 AromaticContact CE2-CE1 3.59Å; Y367-H415 AromaticContact CE2-CG 3.17Å; Y367-H415 AromaticContact CE2-ND1 3.38Å; Y367-H415 WeakPolarHBondContact CE2-ND1 3.3Å; Y367-H415 AromaticContact CE2-NE2 3.55Å; Y367-H415 HydrophobicContact CG-CB 3.95Å; Y367-H415 AromaticContact CZ-CD2 3.87Å; Y367-H415 AromaticContact CZ-CE1 3.79Å; Y367-H415 AromaticContact CZ-CG 3.24Å; Y367-H415 AromaticContact CZ-ND1 3.19Å; Y367-H415 PolarHBondContact N-O 2.94Å; Y367-H415 VanDerWaalsContact N-O 3.08Å; Y367-H415 PolarHBondContact O-N 3.02Å; Y367-H415 PolarHBondContact OH-CE1 3.23Å; Y367-H415 PolarHBondContact OH-ND1 3.36Å; S369-H415 PolarHBondContact OG-NE2 2.64Å; H415-V422 HydrophobicContact CB-CG1 4.49Å; H415-L424 HydrophobicContact CB-CD2 4.19Å; H415-L424 WeakPolarHBondContact ND1-CD2 3.43Å |
| 416 | A | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.4 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | P334 I336 A357 F366 V422 S423 | P334-A416 HydrophobicContact CB-CB 3.94Å; I336-A416 HydrophobicContact CD1-CB 3.67Å; A357-A416 HydrophobicContact CB-CB 3.61Å; F366-A416 HydrophobicContact CD1-CB 3.99Å; F366-A416 HydrophobicContact CE1-CB 3.67Å; F366-A416 HydrophobicContact CZ-CB 4.29Å; A416-V422 CarbonylContact O-C 3.58Å; A416-V422 WeakPolarHBondContact O-CA 3.39Å; A416-S423 PolarHBondContact N-O 2.89Å; A416-S423 PolarHBondContact O-N 2.86Å |
| 417 | I | 85.7 | Confident | 88.8 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.1 | -171.5 | -48.1 | 172 | 0 | 0 | 0 | 109.8 | M209 L364 L365 Y367 T421 V422 | M209-I417 HydrophobicContact CE-CD1 4Å; M209-I417 HydrophobicContact CE-CG2 4.47Å; L364-I417 CarbonylContact C-O 3.56Å; L364-I417 VanDerWaalsContact CA-O 3.31Å; L364-I417 WeakPolarHBondContact CA-O 3.46Å; L365-I417 HydrophobicContact CB-CB 4.36Å; L365-I417 PolarHBondContact N-O 3.34Å; L365-I417 PolarHBondContact O-N 2.96Å; Y367-I417 HydrophobicContact CD1-CD1 3.62Å; Y367-I417 HydrophobicContact CD1-CG1 4.39Å; Y367-I417 HydrophobicContact CE1-CD1 3.43Å; Y367-I417 VanDerWaalsContact CE1-CD1 3.43Å; Y367-I417 HydrophobicContact CE1-CG1 4.12Å; I417-T421 WeakPolarHBondContact CA-O 3.19Å; I417-V422 HydrophobicContact CB-CG2 4.28Å; I417-V422 HydrophobicContact CG1-CB 4.45Å; I417-V422 HydrophobicContact CG1-CG1 4.01Å; I417-V422 HydrophobicContact CG1-CG2 3.89Å; I417-V422 HydrophobicContact CG2-CG2 3.89Å |
| 418 | N | 81.2 | Confident | 89.1 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | trans | -119.9 | -170 | 161 | 72.5 | 2.8 | 0 | 0 | 0 | 111.3 | P332 P334 C359 C362 L364 L420 T421 | P332-N418 PolarHBondContact O-ND2 2.88Å; P334-N418 HydrophobicContact CG-CB 4.08Å; C359-N418 PolarHBondContact SG-ND2 3.04Å; C362-N418 HydrophobicContact CB-CB 4.37Å; C362-N418 WeakPolarHBondContact SG-CB 3.26Å; C362-N418 PolarHBondContact SG-ND2 2.85Å; L364-N418 HydrophobicContact CD2-CB 4.12Å; N418-L420 PolarHBondContact O-N 3.44Å; N418-L420 VanDerWaalsContact O-N 3.08Å; N418-L420 PolarHBondContact OD1-N 2.99Å; N418-T421 PolarHBondContact N-O 3.34Å; N418-T421 PolarHBondContact OD1-N 3.22Å; N418-T421 PolarHBondContact OD1-O 2.93Å; N418-T421 PolarHBondContact OD1-OG1 3.26Å; N418-T421 VanDerWaalsContact OD1-OG1 3.11Å | ||
| 419 | E | 68.4 | Low | 89.2 | Confident | 128 Ų | 128 | 38 Ų | 38 | 60% | 0.598 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -60.9 | -19.5 | -178.3 | -59.6 | -162.8 | 154.8 | 0 | 0 | 114 | V256 | V256-E419 WeakPolarHBondContact CG1-O 3.35Š|
| 420 | L | 67.7 | Low | 89.3 | Confident | 21 Ų | 21 | 36.5 Ų | 36.5 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -116.9 | -34.9 | -170.3 | -55.9 | 178 | 0 | 0 | 0 | 113.8 | V256 V257 Y308 W331 P332 N418 | V256-L420 HydrophobicContact CG1-CD2 3.64Å; V257-L420 VanDerWaalsContact CG2-O 3.26Å; V257-L420 WeakPolarHBondContact CG2-O 3.36Å; Y308-L420 HydrophobicContact CD2-CD2 4.29Å; Y308-L420 HydrophobicContact CE2-CD2 4.46Å; W331-L420 HydrophobicContact CB-CD1 4Å; W331-L420 HydrophobicContact CD2-CD1 4.41Å; W331-L420 HydrophobicContact CE3-CD1 3.85Å; W331-L420 HydrophobicContact CG-CD1 4.49Å; P332-L420 HydrophobicContact CG-CD1 4.15Å; N418-L420 PolarHBondContact O-N 3.44Å; N418-L420 VanDerWaalsContact O-N 3.08Å; N418-L420 PolarHBondContact OD1-N 2.99Å |
| 421 | T | 73.8 | Confident | 89.4 | Confident | 42 Ų | 42 | 38.6 Ų | 38.6 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | trans | -148.1 | 164.4 | -165 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | P332 R333 P334 I417 N418 | P332-T421 PolarHBondContact O-OG1 3.34Å; R333-T421 WeakPolarHBondContact CA-OG1 3.41Å; P334-T421 WeakPolarHBondContact CD-OG1 3.24Å; I417-T421 WeakPolarHBondContact CA-O 3.19Å; N418-T421 PolarHBondContact N-O 3.34Å; N418-T421 PolarHBondContact OD1-N 3.22Å; N418-T421 PolarHBondContact OD1-O 2.93Å; N418-T421 PolarHBondContact OD1-OG1 3.26Å; N418-T421 VanDerWaalsContact OD1-OG1 3.11Å | ||
| 422 | V | 79.2 | Confident | 89.4 | Confident | 50 Ų | 50 | 36 Ų | 36 | 30% | 0.303 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143 | 178 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | M209 H415 A416 I417 L424 | M209-V422 HydrophobicContact CE-CG2 3.83Å; H415-V422 HydrophobicContact CB-CG1 4.49Å; A416-V422 CarbonylContact O-C 3.58Å; A416-V422 WeakPolarHBondContact O-CA 3.39Å; I417-V422 HydrophobicContact CB-CG2 4.28Å; I417-V422 HydrophobicContact CG1-CB 4.45Å; I417-V422 HydrophobicContact CG1-CG1 4.01Å; I417-V422 HydrophobicContact CG1-CG2 3.89Å; I417-V422 HydrophobicContact CG2-CG2 3.89Å; V422-L424 HydrophobicContact CG1-CD2 4.03Å |
| 423 | S | 86.2 | Confident | 89.4 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 5% | 0.049 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.9 | 169.5 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | R333 P334 A416 | R333-S423 PolarHBondContact NE-OG 3.13Å; P334-S423 WeakPolarHBondContact O-CB 3.43Å; P334-S423 PolarHBondContact O-OG 2.89Å; A416-S423 PolarHBondContact N-O 2.89Å; A416-S423 PolarHBondContact O-N 2.86Å |
| 424 | L | 89.8 | Confident | 89.4 | Confident | 85 Ų | 85 | 36.2 Ų | 36.2 | 45% | 0.445 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.1 | -170.3 | -54.6 | -175.4 | 0 | 0 | 0 | 111.1 | H415 V422 | H415-L424 HydrophobicContact CB-CD2 4.19Å; H415-L424 WeakPolarHBondContact ND1-CD2 3.43Å; V422-L424 HydrophobicContact CG1-CD2 4.03Å |
| 425 | S | 95.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | trans | -79.6 | 174.9 | 169.6 | 81.7 | 0 | 0 | 0 | 0 | 112.3 | Q339 R413 C414 | Q339-S425 VanDerWaalsContact OE1-CA 3.28Å; R413-S425 PolarHBondContact NE-O 2.99Å; R413-S425 PolarHBondContact NH2-O 2.91Å; C414-S425 PolarHBondContact N-OG 2.9Å; C414-S425 PolarHBondContact O-N 3.01Å | ||
| 426 | D | 95.7 | Very high | 89.6 | Confident | 95 Ų | 95 | 38 Ų | 38 | 51% | 0.508 | 21% | 0.209 | S | C | . | . | trans | -64.4 | 159.7 | 164.9 | -65.2 | -34.4 | 0 | 0 | 0 | 111.6 | ||||
| 427 | K | 95.6 | Very high | 89.7 | Confident | 76 Ų | 76 | 44.1 Ų | 44.1 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | trans | -90.1 | 131 | 172.9 | -69.2 | -176.3 | -179.8 | -174.5 | 0 | 109.7 | D372 L411 Y412 R413 | D372-K427 WeakPolarHBondContact OD1-CE 3.48Å; D372-K427 IonicContact OD1-NZ 2.76Å; D372-K427 PolarHBondContact OD1-NZ 3.22Å; D372-K427 IonicContact OD2-NZ 2.85Å; D372-K427 PolarHBondContact OD2-NZ 2.63Å; L411-K427 HydrophobicContact CB-CB 4.36Å; L411-K427 HydrophobicContact CB-CD 4.4Å; L411-K427 HydrophobicContact CD1-CD 4.22Å; Y412-K427 CarbonylContact O-C 3.54Å; Y412-K427 WeakPolarHBondContact O-CA 3.33Å; R413-K427 HydrophobicContact CB-CG 4.27Å | ||
| 428 | V | 98 | Very high | 90.1 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.5 | 177.1 | -65.3 | 0 | 0 | 0 | 0 | 112.7 | P340 P342 F353 L411 Y412 | P340-V428 HydrophobicContact CB-CG1 4.49Å; P340-V428 HydrophobicContact CB-CG2 3.84Å; P340-V428 HydrophobicContact CG-CG1 4.22Å; P340-V428 HydrophobicContact CG-CG2 3.96Å; P340-V428 VanDerWaalsContact O-CG1 3.27Å; P340-V428 WeakPolarHBondContact O-CG1 3.02Å; P342-V428 HydrophobicContact CG-CB 4.37Å; P342-V428 HydrophobicContact CG-CG1 4.36Å; F353-V428 HydrophobicContact CD1-CG2 3.85Å; F353-V428 HydrophobicContact CE1-CG2 3.77Å; L411-V428 CarbonylContact C-O 3.56Å; L411-V428 WeakPolarHBondContact CA-O 3.41Å; Y412-V428 PolarHBondContact N-O 2.89Å; Y412-V428 PolarHBondContact O-N 2.66Å |
| 429 | P | 97.9 | Very high | 90.7 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 36% | 0.357 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 142 | -178.9 | 30.9 | -33.3 | 0 | 0 | 0 | 113.3 | P342 V343 G410 L411 | P342-P429 WeakPolarHBondContact CA-O 3.32Å; P342-P429 HydrophobicContact CB-CG 3.97Å; P342-P429 HydrophobicContact CG-CG 4.49Å; V343-P429 PolarHBondContact N-O 2.82Å; G410-P429 CarbonylContact O-C 3.39Å; G410-P429 WeakPolarHBondContact O-CA 3.47Å; L411-P429 HydrophobicContact CD2-CB 4.05Å |
| 430 | L | 98 | Very high | 91.7 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.9 | 157.2 | 179.5 | 52.3 | 0 | 0 | 0 | 108.8 | V343 A345 V351 F353 D408 A409 G410 Y412 V432 | V343-L430 HydrophobicContact CB-CD1 4.16Å; V343-L430 HydrophobicContact CG1-CD1 4.29Å; V343-L430 WeakPolarHBondContact O-CA 3.28Å; A345-L430 HydrophobicContact CB-CD1 4.49Å; V351-L430 HydrophobicContact CG1-CD1 4.18Å; V351-L430 HydrophobicContact CG2-CD1 4.1Å; F353-L430 HydrophobicContact CE2-CD2 4.5Å; F353-L430 HydrophobicContact CZ-CB 4.05Å; D408-L430 HydrophobicContact CB-CD2 4.33Å; A409-L430 WeakPolarHBondContact CA-O 3.35Å; G410-L430 PolarHBondContact N-O 3.09Å; G410-L430 VanDerWaalsContact N-O 3.12Å; G410-L430 PolarHBondContact O-N 2.9Å; Y412-L430 HydrophobicContact CD2-CB 3.96Å; Y412-L430 HydrophobicContact CE2-CB 3.65Å; Y412-L430 HydrophobicContact CE2-CD2 3.84Å; Y412-L430 HydrophobicContact CE2-CG 4.39Å; L430-V432 HydrophobicContact CD1-CG2 4.43Å; L430-V432 HydrophobicContact CD2-CG2 4.39Å; L430-V432 HydrophobicContact CG-CG2 4.05Å |
| 431 | S | 96.3 | Very high | 92.8 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 42% | 0.42 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.6 | 172.5 | -63 | 0 | 0 | 0 | 0 | 110.1 | V343 T344 A345 | V343-S431 PolarHBondContact O-N 3.3Å; T344-S431 CarbonylContact C-O 3.58Å; T344-S431 VanDerWaalsContact CA-O 3.3Å; T344-S431 WeakPolarHBondContact CA-O 3.09Å; A345-S431 PolarHBondContact N-O 2.93Å |
| 432 | V | 97 | Very high | 93.4 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 10% | 0.097 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.7 | -178.2 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | A345 E347 V404 D405 A409 L430 | A345-V432 CarbonylContact O-C 3.53Å; A345-V432 WeakPolarHBondContact O-CA 3.23Å; E347-V432 HydrophobicContact CB-CG1 4.42Å; V404-V432 HydrophobicContact CB-CG2 4.39Å; V404-V432 HydrophobicContact CG2-CG1 4.2Å; V404-V432 HydrophobicContact CG2-CG2 4.36Å; D405-V432 WeakPolarHBondContact O-CG2 3.43Å; A409-V432 HydrophobicContact CB-CG2 4.28Å; L430-V432 HydrophobicContact CD1-CG2 4.43Å; L430-V432 HydrophobicContact CD2-CG2 4.39Å; L430-V432 HydrophobicContact CG-CG2 4.05Å |
| 433 | Q | 96.4 | Very high | 93.7 | Very high | 55 Ų | 55 | 51 Ų | 51 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 135.4 | 175.3 | -60.9 | -173 | 5.5 | 0 | 0 | 110 | T344 A345 V346 E347 S462 A515 | T344-Q433 HydrophobicContact CG2-CG 4.37Å; A345-Q433 PolarHBondContact O-N 2.86Å; V346-Q433 CarbonylContact C-O 3.54Å; V346-Q433 WeakPolarHBondContact CA-O 3.5Å; V346-Q433 HydrophobicContact CG2-CB 4.44Å; E347-Q433 PolarHBondContact N-O 3.17Å; Q433-S462 CarbonylContact C-O 3.58Å; Q433-S462 VanDerWaalsContact CA-O 3.24Å; Q433-S462 WeakPolarHBondContact CA-O 3.29Å; Q433-S462 WeakPolarHBondContact CB-O 3.31Å; Q433-A515 HydrophobicContact CB-CB 3.99Å |
| 434 | V | 95.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120.9 | -177.5 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | E347 E406 Y437 S462 | E347-V434 WeakPolarHBondContact OE2-CG1 3.39Å; E406-V434 VanDerWaalsContact CD-CG2 3.42Å; E406-V434 HydrophobicContact CG-CG2 3.17Å; V434-Y437 HydrophobicContact CG1-CD1 4.34Å; V434-Y437 HydrophobicContact CG1-CE1 4.26Å; V434-S462 PolarHBondContact N-O 2.78Å; V434-S462 PolarHBondContact O-N 2.9Å |
| 435 | P | 94.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 54 Ų | 54 | 29% | 0.286 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 154.4 | 173.8 | -23.7 | 33.7 | 0 | 0 | 0 | 113 | V346 Y437 | V346-P435 HydrophobicContact CG1-CG 3.78Å; P435-Y437 PolarHBondContact O-N 2.97Å |
| 436 | P | 96.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 7% | 0.065 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 136.5 | -179.6 | -22.3 | 34.9 | 0 | 0 | 0 | 113.1 | A460 P465 A511 S513 G516 T518 | P436-A460 CarbonylContact C-O 3.54Å; P436-A460 WeakPolarHBondContact CA-O 3.37Å; P436-P465 HydrophobicContact CB-CB 3.74Å; P436-P465 HydrophobicContact CB-CG 4.07Å; P436-P465 HydrophobicContact CG-CB 3.82Å; P436-A511 HydrophobicContact CB-CB 3.96Å; P436-S513 WeakPolarHBondContact CD-OG 3.33Å; P436-S513 WeakPolarHBondContact CG-OG 3.45Å; P436-G516 VanDerWaalsContact CD-O 3.32Å; P436-G516 WeakPolarHBondContact CD-O 3.07Å; P436-G516 VanDerWaalsContact CG-O 3.28Å; P436-G516 WeakPolarHBondContact CG-O 3.32Å; P436-T518 HydrophobicContact CB-CG2 4.11Å; P436-T518 VanDerWaalsContact O-CG2 3.26Å; P436-T518 WeakPolarHBondContact O-CG2 3.49Å |
| 437 | Y | 94.8 | Very high | 91.5 | Very high | 128 Ų | 128 | 52.9 Ų | 52.9 | 50% | 0.502 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 143.6 | 172.1 | 68.1 | -89.2 | 0 | 0 | 0 | 111.8 | V434 P435 V439 A459 A460 | V434-Y437 HydrophobicContact CG1-CD1 4.34Å; V434-Y437 HydrophobicContact CG1-CE1 4.26Å; P435-Y437 PolarHBondContact O-N 2.97Å; Y437-V439 HydrophobicContact CE2-CG2 4.05Å; Y437-V439 PolarHBondContact O-N 2.85Å; Y437-A459 CarbonylContact O-C 3.58Å; Y437-A459 WeakPolarHBondContact O-CA 3.3Å; Y437-A459 WeakPolarHBondContact O-CB 3.33Å; Y437-A460 WeakPolarHBondContact CD1-O 3.08Å; Y437-A460 HydrophobicContact CE1-CB 3.95Å; Y437-A460 HydrophobicContact CE2-CB 4.07Å; Y437-A460 PolarHBondContact N-O 3.31Å; Y437-A460 PolarHBondContact O-N 3.3Å |
| 438 | F | 94 | Very high | 90.7 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.7 | -177.7 | -65.6 | -72.7 | 0 | 0 | 0 | 112.7 | K441 C457 A458 A459 C509 A511 T518 V520 | F438-K441 HydrophobicContact CB-CD 4.26Å; F438-K441 HydrophobicContact CB-CG 3.5Å; F438-K441 VanDerWaalsContact CB-CG 3.5Å; F438-K441 HydrophobicContact CD2-CG 4.46Å; F438-K441 HydrophobicContact CG-CG 4.11Å; F438-C457 WeakPolarHBondContact CE1-SG 3.32Å; F438-A458 CarbonylContact C-O 3.21Å; F438-A458 WeakPolarHBondContact CA-O 3.5Å; F438-A459 HydrophobicContact CD1-CB 4.14Å; F438-A459 HydrophobicContact CE1-CB 4.5Å; F438-C509 HydrophobicContact CE1-CB 4.49Å; F438-C509 WeakPolarHBondContact CZ-O 2.95Å; F438-A511 HydrophobicContact CE1-CB 4Å; F438-A511 HydrophobicContact CZ-CB 4.24Å; F438-T518 HydrophobicContact CD2-CG2 4.05Å; F438-T518 HydrophobicContact CE2-CG2 3.55Å; F438-T518 HydrophobicContact CZ-CG2 3.88Å; F438-V520 HydrophobicContact CD1-CG1 4.35Å; F438-V520 HydrophobicContact CD2-CB 4.23Å; F438-V520 HydrophobicContact CD2-CG1 4.16Å; F438-V520 HydrophobicContact CE1-CG1 4Å; F438-V520 HydrophobicContact CE2-CB 3.83Å; F438-V520 HydrophobicContact CE2-CG1 3.78Å; F438-V520 HydrophobicContact CG-CG1 4.43Å; F438-V520 HydrophobicContact CZ-CB 4.21Å; F438-V520 HydrophobicContact CZ-CG1 3.7Å |
| 439 | V | 94.3 | Very high | 89.9 | Confident | 98 Ų | 98 | 56.2 Ų | 56.2 | 59% | 0.594 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -33.6 | 170.2 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | Y437 A458 A460 | Y437-V439 HydrophobicContact CE2-CG2 4.05Å; Y437-V439 PolarHBondContact O-N 2.85Å; V439-A458 PolarHBondContact N-O 2.78Å; V439-A460 HydrophobicContact CG2-CB 3.69Å |
| 440 | K | 89.3 | Confident | 88.8 | Confident | 74 Ų | 74 | 56 Ų | 56 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125.1 | 168.2 | -67.3 | 175.1 | -178.4 | 163.9 | 0 | 108.6 | E456 C457 A458 D492 | K440-E456 HydrophobicContact CD-CB 4.19Å; K440-C457 WeakPolarHBondContact O-CA 3.37Å; K440-A458 HydrophobicContact CB-CB 3.96Å; K440-A458 HydrophobicContact CD-CB 4.13Å; K440-A458 HydrophobicContact CG-CB 4.17Å; K440-A458 PolarHBondContact N-O 2.93Å; K440-A458 VanDerWaalsContact N-O 3.12Å; K440-A458 PolarHBondContact O-N 2.67Å; K440-A458 VanDerWaalsContact O-N 3.17Å; K440-D492 HydrophobicContact CD-CB 4.17Å; K440-D492 IonicContact NZ-OD2 3.1Å; K440-D492 PolarHBondContact NZ-OD2 3.01Å |
| 441 | K | 89.6 | Confident | 87.6 | Confident | 144 Ų | 144 | 56.8 Ų | 56.8 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | trans | -108.9 | 134 | 174.3 | -66.7 | -178.9 | -178.8 | -178.2 | 0 | 108.7 | F438 E456 | F438-K441 HydrophobicContact CB-CD 4.26Å; F438-K441 HydrophobicContact CB-CG 3.5Å; F438-K441 VanDerWaalsContact CB-CG 3.5Å; F438-K441 HydrophobicContact CD2-CG 4.46Å; F438-K441 HydrophobicContact CG-CG 4.11Å; K441-E456 CarbonylContact C-O 3.59Å | ||
| 442 | P | 86.8 | Confident | 86.1 | Confident | 13 Ų | 13 | 58 Ų | 58 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | trans | -64.3 | 159.8 | 167.6 | 30.3 | -33.9 | 0 | 0 | 0 | 109.6 | M455 E456 W469 V520 V522 | P442-M455 HydrophobicContact CB-CB 4.2Å; P442-M455 HydrophobicContact CB-CG 4.5Å; P442-M455 HydrophobicContact CB-SD 4.35Å; P442-E456 WeakPolarHBondContact CD-O 3.22Å; P442-W469 HydrophobicContact CB-CH2 4.25Å; P442-W469 HydrophobicContact CG-CH2 4.15Å; P442-W469 HydrophobicContact CG-CZ3 4.44Å; P442-V520 HydrophobicContact CG-CG1 3.94Å; P442-V522 HydrophobicContact CB-CG1 3.96Å; P442-V522 HydrophobicContact CB-CG2 4.09Å; P442-V522 HydrophobicContact CG-CG1 3.85Å; P442-V522 HydrophobicContact CG-CG2 4.19Å; P442-V522 WeakPolarHBondContact O-CG1 3.41Å | ||
| 443 | A | 85.6 | Confident | 85.2 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 55% | 0.554 | 34% | 0.336 | S | S | * | . | trans | -123.8 | 163.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V445 | A443-V445 VanDerWaalsContact O-CG2 3.27Å; A443-V445 WeakPolarHBondContact O-CG2 3.42Å; A443-V445 PolarHBondContact O-N 2.83Å | ||
| 444 | N | 83.1 | Confident | 84.5 | Confident | 114 Ų | 114 | 60.5 Ų | 60.5 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | trans | -57.7 | 130.7 | 172.7 | -66.7 | -9.1 | 0 | 0 | 0 | 109.7 | E523 | N444-E523 VanDerWaalsContact CA-O 3.31Å; N444-E523 WeakPolarHBondContact CA-O 3.39Å; N444-E523 PolarHBondContact OD1-N 2.7Å | ||
| 445 | V | 81.6 | Confident | 84 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 25% | 0.248 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128 | -176.6 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | A443 V447 L453 E523 V524 V525 | A443-V445 VanDerWaalsContact O-CG2 3.27Å; A443-V445 WeakPolarHBondContact O-CG2 3.42Å; A443-V445 PolarHBondContact O-N 2.83Å; V445-V447 HydrophobicContact CG1-CB 4.18Å; V445-L453 HydrophobicContact CB-CD1 3.85Å; V445-L453 HydrophobicContact CG1-CD1 3.8Å; V445-L453 HydrophobicContact CG2-CD1 4.05Å; V445-E523 PolarHBondContact N-O 3.24Å; V445-V524 WeakPolarHBondContact O-CA 3.42Å; V445-V525 PolarHBondContact O-N 3.12Å |
| 446 | A | 79.6 | Confident | 83.5 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 50% | 0.496 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 103.8 | 171 | 0 | 0 | 0 | 0 | 0 | 107.9 | V525 L527 | A446-V525 CarbonylContact C-O 3.54Å; A446-V525 VanDerWaalsContact CA-O 3.22Å; A446-V525 WeakPolarHBondContact CA-O 3.27Å; A446-L527 HydrophobicContact CB-CD1 3.33Å; A446-L527 HydrophobicContact CB-CD2 4.22Å; A446-L527 HydrophobicContact CB-CG 3.6Å |
| 447 | V | 77 | Confident | 83.2 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 9% | 0.085 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.3 | -171.1 | 59.6 | 0 | 0 | 0 | 0 | 110.3 | V445 V499 V524 V525 V526 L527 | V445-V447 HydrophobicContact CG1-CB 4.18Å; V447-V499 HydrophobicContact CG1-CG1 3.86Å; V447-V499 HydrophobicContact CG1-CG2 4.34Å; V447-V499 HydrophobicContact CG2-CG2 4.26Å; V447-V524 HydrophobicContact CG1-CG1 4.39Å; V447-V525 PolarHBondContact N-O 3.1Å; V447-V526 HydrophobicContact CG1-CG2 4.26Å; V447-V526 CarbonylContact O-C 3.5Å; V447-V526 WeakPolarHBondContact O-CA 3.31Å; V447-V526 WeakPolarHBondContact O-CG1 3.3Å; V447-L527 PolarHBondContact O-N 2.89Å |
| 448 | T | 78 | Confident | 83.1 | Confident | 71 Ų | 71 | 55.5 Ų | 55.5 | 44% | 0.436 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 149.9 | 176 | 51.5 | 0 | 0 | 0 | 0 | 110.7 | G450 G451 L527 | T448-G450 PolarHBondContact O-N 2.83Å; T448-G451 PolarHBondContact O-N 3Å; T448-L527 WeakPolarHBondContact CG2-O 3.44Å |
| 449 | V | 81 | Confident | 83.1 | Confident | 84 Ų | 84 | 55.2 Ų | 55.2 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | 137.6 | 173.2 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | G451 E501 V526 | V449-G451 PolarHBondContact O-N 3.24Å; V449-E501 HydrophobicContact CG2-CG 3.84Å; V449-V526 HydrophobicContact CB-CG1 4.32Å; V449-V526 HydrophobicContact CG2-CG1 3.4Å |
| 450 | G | 74.8 | Confident | 83.2 | Confident | 52 Ų | 52 | 51.9 Ų | 51.9 | 54% | 0.536 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -5.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T448 V499 | T448-G450 PolarHBondContact O-N 2.83Å; G450-V499 PolarHBondContact N-O 2.88Å |
| 451 | G | 73.1 | Confident | 83.4 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -73.1 | -170.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T448 V449 V499 | T448-G451 PolarHBondContact O-N 3Å; V449-G451 PolarHBondContact O-N 3.24Å; G451-V499 WeakPolarHBondContact O-CG2 3.27Å; G451-V499 PolarHBondContact O-N 2.99Å |
| 452 | T | 66.2 | Low | 83.6 | Confident | 85 Ų | 85 | 44.6 Ų | 44.6 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | trans | -113.6 | 119 | 176.4 | -61.2 | 0 | 0 | 0 | 0 | 109.4 | V495 V497 | T452-V495 HydrophobicContact CG2-CG1 3.82Å; T452-V497 HydrophobicContact CG2-CB 4.29Å | ||
| 453 | L | 78 | Confident | 83.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122.6 | 168.9 | 175.1 | 67.4 | 0 | 0 | 0 | 108 | V445 M455 V495 I496 V499 V524 | V445-L453 HydrophobicContact CB-CD1 3.85Å; V445-L453 HydrophobicContact CG1-CD1 3.8Å; V445-L453 HydrophobicContact CG2-CD1 4.05Å; L453-M455 HydrophobicContact CD1-CG 4.21Å; L453-M455 HydrophobicContact CD2-CE 4.22Å; L453-M455 HydrophobicContact CG-CG 4.49Å; L453-V495 CarbonylContact O-C 3.56Å; L453-V495 VanDerWaalsContact O-CA 3.25Å; L453-V495 WeakPolarHBondContact O-CA 3.45Å; L453-V495 WeakPolarHBondContact O-CG1 3.44Å; L453-I496 HydrophobicContact CB-CB 4.23Å; L453-I496 HydrophobicContact CD2-CB 4.42Å; L453-I496 HydrophobicContact CD2-CD1 4.06Å; L453-I496 HydrophobicContact CD2-CG1 4.41Å; L453-I496 PolarHBondContact N-O 3.35Å; L453-I496 PolarHBondContact O-N 2.78Å; L453-V499 HydrophobicContact CB-CG2 3.5Å; L453-V499 VanDerWaalsContact CB-CG2 3.5Å; L453-V499 VanDerWaalsContact N-CG2 3.26Å; L453-V524 HydrophobicContact CD1-CG1 4.09Å; L453-V524 HydrophobicContact CD1-CG2 4.17Å; L453-V524 HydrophobicContact CD2-CG1 3.93Å; L453-V524 HydrophobicContact CD2-CG2 4.01Å |
| 454 | R | 81.2 | Confident | 84.3 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.2 | 174.9 | 179.1 | 177.1 | 179.6 | -74 | -1.9 | 109.3 | E456 V493 F494 V495 | R454-E456 IonicContact CZ-OE1 3.14Å; R454-E456 IonicContact NH1-OE1 3.62Å; R454-E456 PolarHBondContact NH1-OE1 3.33Å; R454-E456 IonicContact NH2-OE1 3.49Å; R454-E456 PolarHBondContact NH2-OE1 2.69Å; R454-V493 HydrophobicContact CG-CG1 3.8Å; R454-F494 WeakPolarHBondContact CA-O 3.45Å; R454-V495 HydrophobicContact CB-CG2 4.44Å; R454-V495 HydrophobicContact CG-CG2 4.17Å |
| 455 | M | 84.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.2 | 176.9 | -64.8 | -172.8 | -68.2 | 0 | 0 | 109.8 | P442 L453 W469 F494 Y507 V522 V524 | P442-M455 HydrophobicContact CB-CB 4.2Å; P442-M455 HydrophobicContact CB-CG 4.5Å; P442-M455 HydrophobicContact CB-SD 4.35Å; L453-M455 HydrophobicContact CD1-CG 4.21Å; L453-M455 HydrophobicContact CD2-CE 4.22Å; L453-M455 HydrophobicContact CG-CG 4.49Å; M455-W469 HydrophobicContact CB-CH2 3.87Å; M455-W469 HydrophobicContact CE-CE3 4.45Å; M455-W469 HydrophobicContact CE-CH2 4.23Å; M455-W469 HydrophobicContact CE-CZ3 3.79Å; M455-W469 HydrophobicContact SD-CZ3 4.33Å; M455-F494 HydrophobicContact CB-CB 4.43Å; M455-F494 HydrophobicContact CB-CD1 4.4Å; M455-F494 HydrophobicContact CE-CD1 3.34Å; M455-F494 HydrophobicContact CE-CE1 3.39Å; M455-F494 HydrophobicContact CE-CG 4.22Å; M455-F494 HydrophobicContact CE-CZ 4.29Å; M455-F494 PolarHBondContact N-O 2.85Å; M455-F494 PolarHBondContact O-N 2.78Å; M455-Y507 HydrophobicContact CE-CD1 3.92Å; M455-Y507 HydrophobicContact CE-CG 4Å; M455-V522 HydrophobicContact SD-CG2 3.76Å; M455-V524 HydrophobicContact SD-CG2 4.27Å |
| 456 | E | 84.4 | Confident | 85.5 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137 | 175.9 | -64.4 | -178.2 | 179 | 0 | 0 | 110.1 | K440 K441 P442 R454 D492 | K440-E456 HydrophobicContact CD-CB 4.19Å; K441-E456 CarbonylContact C-O 3.59Å; P442-E456 WeakPolarHBondContact CD-O 3.22Å; R454-E456 IonicContact CZ-OE1 3.14Å; R454-E456 IonicContact NH1-OE1 3.62Å; R454-E456 PolarHBondContact NH1-OE1 3.33Å; R454-E456 IonicContact NH2-OE1 3.49Å; R454-E456 PolarHBondContact NH2-OE1 2.69Å; E456-D492 CarbonylContact C-O 3.51Å; E456-D492 WeakPolarHBondContact CA-O 3.39Å |
| 457 | C | 89.9 | Confident | 86.2 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | trans | -148.5 | 124.8 | 174.5 | -169.8 | 0 | 0 | 0 | 0 | 111.5 | F438 K440 W469 D492 C509 | F438-C457 WeakPolarHBondContact CE1-SG 3.32Å; K440-C457 WeakPolarHBondContact O-CA 3.37Å; C457-W469 HydrophobicContact CB-CH2 3.88Å; C457-W469 HydrophobicContact CB-CZ2 3.45Å; C457-W469 VanDerWaalsContact CB-CZ2 3.45Å; C457-D492 PolarHBondContact N-O 2.76Å; C457-C509 HydrophobicContact CB-CB 3.77Å; C457-C509 WeakPolarHBondContact CB-SG 3.15Å; C457-C509 WeakPolarHBondContact SG-CB 3.26Å; C457-C509 CovalentContact SG-SG 2.01Å; C457-C509 PolarHBondContact SG-SG 3.2Å | ||
| 458 | A | 93 | Very high | 87 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 8% | 0.083 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 140.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | F438 V439 K440 D492 | F438-A458 CarbonylContact C-O 3.21Å; F438-A458 WeakPolarHBondContact CA-O 3.5Å; V439-A458 PolarHBondContact N-O 2.78Å; K440-A458 HydrophobicContact CB-CB 3.96Å; K440-A458 HydrophobicContact CD-CB 4.13Å; K440-A458 HydrophobicContact CG-CB 4.17Å; K440-A458 PolarHBondContact N-O 2.93Å; K440-A458 VanDerWaalsContact N-O 3.12Å; K440-A458 PolarHBondContact O-N 2.67Å; K440-A458 VanDerWaalsContact O-N 3.17Å; A458-D492 HydrophobicContact CB-CB 3.95Å; A458-D492 VanDerWaalsContact CB-CG 3.43Å; A458-D492 WeakPolarHBondContact CB-OD1 3.39Å |
| 459 | A | 94.5 | Very high | 87.6 | Confident | 19 Ų | 19 | 46.2 Ų | 46.2 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 151.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y437 F438 P465 I467 A511 | Y437-A459 CarbonylContact O-C 3.58Å; Y437-A459 WeakPolarHBondContact O-CA 3.3Å; Y437-A459 WeakPolarHBondContact O-CB 3.33Å; F438-A459 HydrophobicContact CD1-CB 4.14Å; F438-A459 HydrophobicContact CE1-CB 4.5Å; A459-P465 HydrophobicContact CB-CG 3.84Å; A459-I467 HydrophobicContact CB-CD1 3.68Å; A459-A511 HydrophobicContact CB-CB 3.38Å |
| 460 | A | 94.7 | Very high | 88.3 | Confident | 28 Ų | 28 | 44.8 Ų | 44.8 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 161.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P436 Y437 V439 | P436-A460 CarbonylContact C-O 3.54Å; P436-A460 WeakPolarHBondContact CA-O 3.37Å; Y437-A460 WeakPolarHBondContact CD1-O 3.08Å; Y437-A460 HydrophobicContact CE1-CB 3.95Å; Y437-A460 HydrophobicContact CE2-CB 4.07Å; Y437-A460 PolarHBondContact N-O 3.31Å; Y437-A460 PolarHBondContact O-N 3.3Å; V439-A460 HydrophobicContact CG2-CB 3.69Å |
| 461 | G | 93.9 | Very high | 89.2 | Confident | 19 Ų | 19 | 43 Ų | 43 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | 169.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P463 T464 | G461-P463 CarbonylContact C-O 3.6Å; G461-P463 CarbonylContact O-C 3.38Å; G461-P463 VanDerWaalsContact O-C 3.32Å; G461-T464 PolarHBondContact O-N 3.42Å |
| 462 | S | 93.5 | Very high | 90.1 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 102.9 | 178.3 | -175 | 0 | 0 | 0 | 0 | 109.2 | Q433 V434 | Q433-S462 CarbonylContact C-O 3.58Å; Q433-S462 VanDerWaalsContact CA-O 3.24Å; Q433-S462 WeakPolarHBondContact CA-O 3.29Å; Q433-S462 WeakPolarHBondContact CB-O 3.31Å; V434-S462 PolarHBondContact N-O 2.78Å; V434-S462 PolarHBondContact O-N 2.9Å |
| 463 | P | 94.9 | Very high | 91.1 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | S | Bend | cis | -68.2 | 162.3 | 5.5 | -21 | 35.2 | 0 | 0 | 0 | 114.8 | G461 T514 | G461-P463 CarbonylContact C-O 3.6Å; G461-P463 CarbonylContact O-C 3.38Å; G461-P463 VanDerWaalsContact O-C 3.32Å; P463-T514 WeakPolarHBondContact CD-OG1 3.37Å; P463-T514 WeakPolarHBondContact CG-OG1 3.39Å |
| 464 | T | 93.6 | Very high | 91.7 | Very high | 126 Ų | 126 | 47.1 Ų | 47.1 | 77% | 0.773 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -57 | 127.5 | 179.1 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | G461 | G461-T464 PolarHBondContact O-N 3.42Š|
| 465 | P | 95.5 | Very high | 92 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 155.5 | -177.9 | 30.6 | -35 | 0 | 0 | 0 | 113.7 | P436 A459 A511 E512 | P436-P465 HydrophobicContact CB-CB 3.74Å; P436-P465 HydrophobicContact CB-CG 4.07Å; P436-P465 HydrophobicContact CG-CB 3.82Å; A459-P465 HydrophobicContact CB-CG 3.84Å; P465-A511 HydrophobicContact CB-CB 4.35Å; P465-E512 CarbonylContact C-O 3.53Å; P465-E512 WeakPolarHBondContact CA-O 3.26Å |
| 466 | S | 94.3 | Very high | 92.2 | Very high | 73 Ų | 73 | 54 Ų | 54 | 51% | 0.51 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 144.8 | 170.2 | 65.6 | 0 | 0 | 0 | 0 | 111.5 | A511 E512 | S466-A511 VanDerWaalsContact O-CA 3.28Å; S466-A511 WeakPolarHBondContact O-CA 3.43Å; S466-E512 PolarHBondContact N-O 3.09Å; S466-E512 PolarHBondContact O-N 3.41Å |
| 467 | I | 93.9 | Very high | 92.6 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 32% | 0.323 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133 | -178.8 | -60 | -62.5 | 0 | 0 | 0 | 111.5 | A459 I510 A511 | A459-I467 HydrophobicContact CB-CD1 3.68Å; I467-I510 CarbonylContact C-O 3.51Å; I467-I510 WeakPolarHBondContact CA-O 3.46Å; I467-A511 HydrophobicContact CD1-CB 3.72Å |
| 468 | S | 92.9 | Very high | 92.5 | Very high | 55 Ų | 55 | 53.6 Ų | 53.6 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 161.2 | 173.5 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | C509 I510 | S468-C509 WeakPolarHBondContact O-CA 3.15Å; S468-I510 PolarHBondContact N-O 3.45Å; S468-I510 PolarHBondContact O-N 3.47Å |
| 469 | W | 92.3 | Very high | 92 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142 | -176.2 | -72.4 | 89.9 | 0 | 0 | 0 | 112.2 | P442 M455 C457 F477 F494 A508 C509 | P442-W469 HydrophobicContact CB-CH2 4.25Å; P442-W469 HydrophobicContact CG-CH2 4.15Å; P442-W469 HydrophobicContact CG-CZ3 4.44Å; M455-W469 HydrophobicContact CB-CH2 3.87Å; M455-W469 HydrophobicContact CE-CE3 4.45Å; M455-W469 HydrophobicContact CE-CH2 4.23Å; M455-W469 HydrophobicContact CE-CZ3 3.79Å; M455-W469 HydrophobicContact SD-CZ3 4.33Å; C457-W469 HydrophobicContact CB-CH2 3.88Å; C457-W469 HydrophobicContact CB-CZ2 3.45Å; C457-W469 VanDerWaalsContact CB-CZ2 3.45Å; W469-F477 HydrophobicContact CB-CZ 4.01Å; W469-F494 HydrophobicContact CB-CD2 4.3Å; W469-F494 HydrophobicContact CB-CE2 4.26Å; W469-F494 AromaticContact CD1-CD2 3.89Å; W469-F494 HydrophobicContact CD2-CB 4.26Å; W469-F494 AromaticContact CD2-CD2 3.64Å; W469-F494 HydrophobicContact CD2-CD2 3.64Å; W469-F494 HydrophobicContact CD2-CE2 4.21Å; W469-F494 HydrophobicContact CD2-CG 4.1Å; W469-F494 AromaticContact CE2-CD2 3.83Å; W469-F494 AromaticContact CE2-CG 3.96Å; W469-F494 HydrophobicContact CE3-CD2 4.17Å; W469-F494 HydrophobicContact CE3-CE2 4.48Å; W469-F494 HydrophobicContact CE3-CG 4.42Å; W469-F494 AromaticContact CG-CD2 3.69Å; W469-F494 HydrophobicContact CG-CD2 3.69Å; W469-F494 HydrophobicContact CG-CE2 4.13Å; W469-F494 HydrophobicContact CH2-CB 4.13Å; W469-F494 HydrophobicContact CH2-CG 4.47Å; W469-F494 HydrophobicContact CZ2-CB 3.52Å; W469-F494 HydrophobicContact CZ2-CD2 4.47Å; W469-F494 HydrophobicContact CZ2-CG 4.16Å; W469-F494 AromaticContact NE1-CD2 3.96Å; W469-A508 CarbonylContact C-O 3.59Å; W469-A508 VanDerWaalsContact CA-O 3.32Å; W469-A508 WeakPolarHBondContact CA-O 3.49Å; W469-C509 HydrophobicContact CD2-CB 4.26Å; W469-C509 HydrophobicContact CE3-CB 4.03Å; W469-C509 HydrophobicContact CH2-CB 3.97Å; W469-C509 HydrophobicContact CZ2-CB 4.19Å; W469-C509 HydrophobicContact CZ3-CB 3.89Å |
| 470 | Q | 94.7 | Very high | 91.4 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 25% | 0.252 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150 | 172.6 | -66.5 | 179.9 | -12.9 | 0 | 0 | 111.3 | G474 Y507 A508 I510 | Q470-G474 CarbonylContact C-O 3.59Å; Q470-G474 VanDerWaalsContact CA-O 3.24Å; Q470-G474 WeakPolarHBondContact CA-O 3.09Å; Q470-G474 WeakPolarHBondContact CB-O 3.27Å; Q470-Y507 CarbonylContact O-C 3.59Å; Q470-Y507 WeakPolarHBondContact O-CA 3.31Å; Q470-A508 HydrophobicContact CB-CB 4.27Å; Q470-A508 PolarHBondContact N-O 3.2Å; Q470-A508 PolarHBondContact O-N 3.02Å; Q470-I510 HydrophobicContact CG-CD1 3.85Å |
| 471 | K | 93.4 | Very high | 91.1 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 7% | 0.065 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130 | 169.4 | -174.5 | -175.8 | -168.6 | -68.2 | 0 | 109.3 | G473 G474 F477 S504 L506 Y507 | K471-G473 PolarHBondContact O-N 2.69Å; K471-G473 VanDerWaalsContact O-N 3.15Å; K471-G474 PolarHBondContact N-O 3.4Å; K471-G474 CarbonylContact O-C 3.52Å; K471-G474 PolarHBondContact O-N 3.45Å; K471-F477 HydrophobicContact CB-CD1 3.77Å; K471-F477 HydrophobicContact CB-CE1 3.6Å; K471-F477 HydrophobicContact CB-CE2 4.44Å; K471-F477 HydrophobicContact CB-CG 4.29Å; K471-F477 HydrophobicContact CB-CZ 3.95Å; K471-F477 HydrophobicContact CD-CD1 4.35Å; K471-S504 PolarHBondContact NZ-O 3.47Å; K471-L506 CarbonylContact C-O 3.46Å; K471-L506 WeakPolarHBondContact CA-O 3.38Å; K471-Y507 HydrophobicContact CB-CD1 4.41Å; K471-Y507 HydrophobicContact CB-CE1 4.22Å; K471-Y507 HydrophobicContact CD-CE1 4.2Å; K471-Y507 HydrophobicContact CD-CE2 4.37Å; K471-Y507 VanDerWaalsContact CE-OH 3.24Å; K471-Y507 WeakPolarHBondContact CE-OH 3.13Å; K471-Y507 HydrophobicContact CG-CE1 4.12Å; K471-Y507 HydrophobicContact CG-CE2 4.2Å |
| 472 | D | 91.5 | Very high | 90.6 | Very high | 100 Ų | 100 | 64.1 Ų | 64.1 | 54% | 0.535 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38.3 | 179.3 | -52.6 | -43.2 | 0 | 0 | 0 | 112.8 | L506 | D472-L506 PolarHBondContact N-O 2.97Å; D472-L506 PolarHBondContact OD1-N 3.06Å |
| 473 | G | 87.2 | Confident | 90.2 | Very high | 64 Ų | 64 | 72.4 Ų | 72.4 | 66% | 0.66 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 7.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K471 | K471-G473 PolarHBondContact O-N 2.69Å; K471-G473 VanDerWaalsContact O-N 3.15Å |
| 474 | G | 90.4 | Very high | 89.5 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -143.8 | -174.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q470 K471 N476 | Q470-G474 CarbonylContact C-O 3.59Å; Q470-G474 VanDerWaalsContact CA-O 3.24Å; Q470-G474 WeakPolarHBondContact CA-O 3.09Å; Q470-G474 WeakPolarHBondContact CB-O 3.27Å; K471-G474 PolarHBondContact N-O 3.4Å; K471-G474 CarbonylContact O-C 3.52Å; K471-G474 PolarHBondContact O-N 3.45Å; G474-N476 VanDerWaalsContact C-N 3.34Å |
| 475 | E | 87.6 | Confident | 89 | Confident | 156 Ų | 156 | 66.2 Ų | 66.2 | 73% | 0.729 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -94.6 | 12.6 | -177.5 | -60.2 | -176.5 | 169.2 | 0 | 0 | 113.2 | F477 | E475-F477 VanDerWaalsContact O-CD2 3.29Å; E475-F477 WeakPolarHBondContact O-CD2 3.49Å; E475-F477 PolarHBondContact O-N 3.11Å |
| 476 | N | 89.8 | Confident | 87.9 | Confident | 119 Ų | 119 | 70 Ų | 70 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | trans | -85.7 | 94.7 | -177.1 | -83.5 | -37.9 | 0 | 0 | 0 | 111.5 | G474 P478 | G474-N476 VanDerWaalsContact C-N 3.34Å; N476-P478 WeakPolarHBondContact O-CD 3.48Å | ||
| 477 | F | 93.3 | Very high | 87.1 | Confident | 12 Ų | 12 | 69.8 Ų | 69.8 | 5% | 0.053 | 37% | 0.367 | C | S | . | . | trans | -102.5 | 111.4 | 174.9 | -65.3 | -96.8 | 0 | 0 | 0 | 111.3 | W469 K471 E475 A479 A480 K481 M485 F494 Y507 | W469-F477 HydrophobicContact CB-CZ 4.01Å; K471-F477 HydrophobicContact CB-CD1 3.77Å; K471-F477 HydrophobicContact CB-CE1 3.6Å; K471-F477 HydrophobicContact CB-CE2 4.44Å; K471-F477 HydrophobicContact CB-CG 4.29Å; K471-F477 HydrophobicContact CB-CZ 3.95Å; K471-F477 HydrophobicContact CD-CD1 4.35Å; E475-F477 VanDerWaalsContact O-CD2 3.29Å; E475-F477 WeakPolarHBondContact O-CD2 3.49Å; E475-F477 PolarHBondContact O-N 3.11Å; F477-A479 PolarHBondContact O-N 3.22Å; F477-A480 HydrophobicContact CB-CB 3.67Å; F477-A480 WeakPolarHBondContact O-CB 3.19Å; F477-A480 PolarHBondContact O-N 3.28Å; F477-K481 PolarHBondContact O-N 2.86Å; F477-M485 HydrophobicContact CB-SD 3.66Å; F477-M485 HydrophobicContact CD1-CE 4.14Å; F477-M485 HydrophobicContact CD1-SD 3.47Å; F477-M485 WeakPolarHBondContact CD1-SD 3.45Å; F477-M485 HydrophobicContact CD2-CE 4.19Å; F477-M485 HydrophobicContact CD2-SD 4.12Å; F477-M485 HydrophobicContact CE1-CE 4.2Å; F477-M485 HydrophobicContact CE1-SD 4.08Å; F477-M485 HydrophobicContact CE2-CE 4.3Å; F477-M485 HydrophobicContact CG-CE 4.13Å; F477-M485 HydrophobicContact CG-SD 3.5Å; F477-M485 WeakPolarHBondContact CG-SD 3.42Å; F477-M485 HydrophobicContact CZ-CE 4.3Å; F477-F494 HydrophobicContact CD1-CE2 4.45Å; F477-F494 HydrophobicContact CD1-CZ 4.21Å; F477-F494 AromaticContact CE1-CE2 3.91Å; F477-F494 HydrophobicContact CE1-CE2 3.91Å; F477-F494 AromaticContact CE1-CZ 3.89Å; F477-F494 HydrophobicContact CE1-CZ 3.89Å; F477-F494 HydrophobicContact CZ-CE2 4.49Å; F477-Y507 HydrophobicContact CD1-CD1 4.44Å; F477-Y507 AromaticContact CD1-CE1 3.82Å; F477-Y507 HydrophobicContact CD1-CE1 3.82Å; F477-Y507 AromaticContact CE1-CD1 3.73Å; F477-Y507 HydrophobicContact CE1-CD1 3.73Å; F477-Y507 AromaticContact CE1-CE1 3.56Å; F477-Y507 HydrophobicContact CE1-CE1 3.56Å | ||
| 478 | P | 87.7 | Confident | 86.2 | Confident | 45 Ų | 45 | 71 Ų | 71 | 29% | 0.292 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -54.5 | -42.1 | 172.7 | -25.9 | 34.7 | 0 | 0 | 0 | 112.2 | N476 A480 K481 E482 | N476-P478 WeakPolarHBondContact O-CD 3.48Å; P478-A480 VanDerWaalsContact C-N 3.3Å; P478-A480 PolarHBondContact O-N 3.39Å; P478-K481 PolarHBondContact O-N 2.97Å; P478-E482 WeakPolarHBondContact O-CG 3.17Å; P478-E482 PolarHBondContact O-N 3.46Å |
| 479 | A | 81.7 | Confident | 85.1 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60 | -33.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F477 E482 R483 R484 M485 I496 | F477-A479 PolarHBondContact O-N 3.22Å; A479-E482 CarbonylContact O-C 3.5Å; A479-E482 PolarHBondContact O-N 3.37Å; A479-R483 PolarHBondContact O-N 2.97Å; A479-R483 VanDerWaalsContact O-N 3.1Å; A479-R484 HydrophobicContact CB-CB 4.2Å; A479-R484 PolarHBondContact O-N 3.13Å; A479-M485 HydrophobicContact CB-CB 4.01Å; A479-M485 PolarHBondContact O-N 2.74Å; A479-I496 HydrophobicContact CB-CB 4.47Å; A479-I496 HydrophobicContact CB-CD1 3.75Å; A479-I496 HydrophobicContact CB-CG1 3.95Å; A479-I496 HydrophobicContact CB-CG2 3.72Å |
| 480 | A | 83.3 | Confident | 84.1 | Confident | 47 Ų | 47 | 78.2 Ų | 78.2 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.8 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F477 P478 E482 R483 M485 | F477-A480 HydrophobicContact CB-CB 3.67Å; F477-A480 WeakPolarHBondContact O-CB 3.19Å; F477-A480 PolarHBondContact O-N 3.28Å; P478-A480 VanDerWaalsContact C-N 3.3Å; P478-A480 PolarHBondContact O-N 3.39Å; A480-E482 PolarHBondContact O-N 3.4Å; A480-R483 PolarHBondContact O-N 3.18Å; A480-M485 HydrophobicContact CB-CB 4.17Å; A480-M485 HydrophobicContact CB-SD 3.92Å |
| 481 | K | 87.3 | Confident | 82.7 | Confident | 160 Ų | 160 | 79.7 Ų | 79.7 | 70% | 0.696 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.3 | -35.9 | 175.1 | -64.6 | -179.5 | -177.3 | 177.3 | 0 | 111.6 | F477 P478 R483 | F477-K481 PolarHBondContact O-N 2.86Å; P478-K481 PolarHBondContact O-N 2.97Å; K481-R483 VanDerWaalsContact C-N 3.29Å; K481-R483 PolarHBondContact O-N 3.09Å |
| 482 | E | 84.2 | Confident | 82 | Confident | 90 Ų | 90 | 81.3 Ų | 81.3 | 42% | 0.421 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 5.7 | 177 | -63.2 | -179.9 | 166.8 | 0 | 0 | 113.6 | P478 A479 A480 R484 K500 | P478-E482 WeakPolarHBondContact O-CG 3.17Å; P478-E482 PolarHBondContact O-N 3.46Å; A479-E482 CarbonylContact O-C 3.5Å; A479-E482 PolarHBondContact O-N 3.37Å; A480-E482 PolarHBondContact O-N 3.4Å; E482-R484 HydrophobicContact CB-CG 4.22Å; E482-R484 PolarHBondContact O-N 3.14Å; E482-R484 IonicContact OE2-CZ 2.86Å; E482-R484 IonicContact OE2-NE 3.62Å; E482-R484 PolarHBondContact OE2-NE 2.89Å; E482-R484 IonicContact OE2-NH2 2.78Å; E482-R484 PolarHBondContact OE2-NH2 2.88Å; E482-K500 VanDerWaalsContact CD-NZ 3.25Å; E482-K500 IonicContact OE1-NZ 2.69Å; E482-K500 PolarHBondContact OE1-NZ 2.83Å; E482-K500 VanDerWaalsContact OE1-NZ 3.14Å; E482-K500 WeakPolarHBondContact OE2-CE 3.32Å; E482-K500 IonicContact OE2-NZ 3.81Å; E482-K500 PolarHBondContact OE2-NZ 3Å |
| 483 | R | 83.9 | Confident | 80.9 | Confident | 220 Ų | 220 | 77.1 Ų | 77.1 | 83% | 0.83 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 26.9 | -178.6 | -57.4 | -179.1 | 172.4 | -176.4 | -2.7 | 114.8 | A479 A480 K481 | A479-R483 PolarHBondContact O-N 2.97Å; A479-R483 VanDerWaalsContact O-N 3.1Å; A480-R483 PolarHBondContact O-N 3.18Å; K481-R483 VanDerWaalsContact C-N 3.29Å; K481-R483 PolarHBondContact O-N 3.09Å |
| 484 | R | 81.8 | Confident | 80.4 | Confident | 19 Ų | 19 | 74 Ų | 74 | 7% | 0.072 | 38% | 0.384 | C | S | . | . | trans | -92.5 | -10.8 | 175.3 | -64.9 | -173.7 | -64.3 | 100.6 | 2.2 | 113.5 | A479 E482 I496 V497 P498 D503 | A479-R484 HydrophobicContact CB-CB 4.2Å; A479-R484 PolarHBondContact O-N 3.13Å; E482-R484 HydrophobicContact CB-CG 4.22Å; E482-R484 PolarHBondContact O-N 3.14Å; E482-R484 IonicContact OE2-CZ 2.86Å; E482-R484 IonicContact OE2-NE 3.62Å; E482-R484 PolarHBondContact OE2-NE 2.89Å; E482-R484 IonicContact OE2-NH2 2.78Å; E482-R484 PolarHBondContact OE2-NH2 2.88Å; R484-I496 HydrophobicContact CB-CG2 4.43Å; R484-I496 WeakPolarHBondContact O-CA 3.38Å; R484-V497 WeakPolarHBondContact CB-O 3.48Å; R484-V497 PolarHBondContact O-N 3.46Å; R484-V497 VanDerWaalsContact O-N 3.08Å; R484-P498 PolarHBondContact NH1-O 2.95Å; R484-D503 IonicContact CZ-OD1 2.66Å; R484-D503 IonicContact CZ-OD2 3.19Å; R484-D503 IonicContact NH1-OD1 2.75Å; R484-D503 PolarHBondContact NH1-OD1 3.35Å; R484-D503 IonicContact NH1-OD2 2.67Å; R484-D503 PolarHBondContact NH1-OD2 3.03Å; R484-D503 IonicContact NH2-OD1 3.45Å; R484-D503 PolarHBondContact NH2-OD1 3.32Å; R484-D503 IonicContact NH2-OD2 2.69Å; R484-D503 PolarHBondContact NH2-OD2 3.01Å | ||
| 485 | M | 82.6 | Confident | 79 | Confident | 36 Ų | 36 | 74 Ų | 74 | 18% | 0.177 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 133.4 | -177.7 | 177.8 | 175.7 | 150.6 | 0 | 0 | 111.8 | F477 A479 A480 V487 F494 V495 I496 | F477-M485 HydrophobicContact CB-SD 3.66Å; F477-M485 HydrophobicContact CD1-CE 4.14Å; F477-M485 HydrophobicContact CD1-SD 3.47Å; F477-M485 WeakPolarHBondContact CD1-SD 3.45Å; F477-M485 HydrophobicContact CD2-CE 4.19Å; F477-M485 HydrophobicContact CD2-SD 4.12Å; F477-M485 HydrophobicContact CE1-CE 4.2Å; F477-M485 HydrophobicContact CE1-SD 4.08Å; F477-M485 HydrophobicContact CE2-CE 4.3Å; F477-M485 HydrophobicContact CG-CE 4.13Å; F477-M485 HydrophobicContact CG-SD 3.5Å; F477-M485 WeakPolarHBondContact CG-SD 3.42Å; F477-M485 HydrophobicContact CZ-CE 4.3Å; A479-M485 HydrophobicContact CB-CB 4.01Å; A479-M485 PolarHBondContact O-N 2.74Å; A480-M485 HydrophobicContact CB-CB 4.17Å; A480-M485 HydrophobicContact CB-SD 3.92Å; M485-V487 HydrophobicContact CE-CG2 3.57Å; M485-F494 HydrophobicContact CE-CD2 4.05Å; M485-F494 HydrophobicContact CE-CE2 3.31Å; M485-F494 HydrophobicContact CE-CZ 4.12Å; M485-F494 HydrophobicContact CG-CE2 4.05Å; M485-F494 HydrophobicContact CG-CZ 4.13Å; M485-F494 HydrophobicContact SD-CE2 3.69Å; M485-F494 HydrophobicContact SD-CZ 3.87Å; M485-V495 CarbonylContact C-O 3.52Å; M485-V495 WeakPolarHBondContact CA-O 3.35Å; M485-I496 HydrophobicContact CB-CG1 4.39Å |
| 486 | H | 71.7 | Confident | 78.1 | Confident | 94 Ų | 94 | 66.5 Ų | 66.5 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 128 | 178.9 | -53.1 | -72.3 | 0 | 0 | 0 | 110.6 | F494 V495 | H486-F494 WeakPolarHBondContact O-CA 3.31Å; H486-V495 PolarHBondContact N-O 3.49Å; H486-V495 PolarHBondContact O-N 3.49Å |
| 487 | V | 76.9 | Confident | 77 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.8 | 176.7 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | M485 F494 | M485-V487 HydrophobicContact CE-CG2 3.57Å; V487-F494 HydrophobicContact CG2-CD2 3.92Å; V487-F494 HydrophobicContact CG2-CE2 4.45Å |
| 488 | M | 76.2 | Confident | 75.7 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 44% | 0.443 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 87.6 | -176.8 | -59.7 | 173.9 | 80.9 | 0 | 0 | 108.7 | T490 D491 D492 V493 | M488-T490 VanDerWaalsContact C-N 3.28Å; M488-T490 PolarHBondContact O-N 3.45Å; M488-D491 HydrophobicContact CB-CB 4.21Å; M488-D491 VanDerWaalsContact CE-OD2 3.29Å; M488-D491 WeakPolarHBondContact CE-OD2 3.16Å; M488-D491 PolarHBondContact O-N 3.42Å; M488-D491 VanDerWaalsContact O-N 3.17Å; M488-D492 PolarHBondContact O-N 3.42Å; M488-D492 VanDerWaalsContact O-N 3.09Å; M488-V493 HydrophobicContact CB-CB 4.45Å; M488-V493 PolarHBondContact N-O 2.83Å; M488-V493 PolarHBondContact O-N 2.93Å; M488-V493 VanDerWaalsContact O-N 3.12Å |
| 489 | P | 70.2 | Confident | 75.2 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 68% | 0.675 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -32.1 | -174.6 | -23.7 | 33.8 | 0 | 0 | 0 | 113.9 | D491 D492 | P489-D491 VanDerWaalsContact C-N 3.28Å; P489-D491 PolarHBondContact O-N 3.39Å; P489-D492 PolarHBondContact O-N 3.47Å |
| 490 | T | 70.8 | Confident | 75.4 | Confident | 126 Ų | 126 | 68.1 Ų | 68.1 | 77% | 0.773 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -26.5 | 178.7 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | M488 | M488-T490 VanDerWaalsContact C-N 3.28Å; M488-T490 PolarHBondContact O-N 3.45Å |
| 491 | D | 64.9 | Low | 75.6 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 0.2 | -178.2 | -59.3 | -53.8 | 0 | 0 | 0 | 112.2 | M488 P489 V493 | M488-D491 HydrophobicContact CB-CB 4.21Å; M488-D491 VanDerWaalsContact CE-OD2 3.29Å; M488-D491 WeakPolarHBondContact CE-OD2 3.16Å; M488-D491 PolarHBondContact O-N 3.42Å; M488-D491 VanDerWaalsContact O-N 3.17Å; P489-D491 VanDerWaalsContact C-N 3.28Å; P489-D491 PolarHBondContact O-N 3.39Å; D491-V493 VanDerWaalsContact C-N 3.25Å; D491-V493 HydrophobicContact CB-CG2 3.89Å; D491-V493 WeakPolarHBondContact O-CG2 3.33Å; D491-V493 PolarHBondContact O-N 3.42Å |
| 492 | D | 80 | Confident | 75.8 | Confident | 49 Ų | 49 | 69 Ų | 69 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 24 | -174 | -47.2 | -48.3 | 0 | 0 | 0 | 114.4 | K440 E456 C457 A458 M488 P489 | K440-D492 HydrophobicContact CD-CB 4.17Å; K440-D492 IonicContact NZ-OD2 3.1Å; K440-D492 PolarHBondContact NZ-OD2 3.01Å; E456-D492 CarbonylContact C-O 3.51Å; E456-D492 WeakPolarHBondContact CA-O 3.39Å; C457-D492 PolarHBondContact N-O 2.76Å; A458-D492 HydrophobicContact CB-CB 3.95Å; A458-D492 VanDerWaalsContact CB-CG 3.43Å; A458-D492 WeakPolarHBondContact CB-OD1 3.39Å; M488-D492 PolarHBondContact O-N 3.42Å; M488-D492 VanDerWaalsContact O-N 3.09Å; P489-D492 PolarHBondContact O-N 3.47Å |
| 493 | V | 68 | Low | 76.1 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 136.2 | -169 | -167 | 0 | 0 | 0 | 0 | 113.5 | R454 M488 D491 V495 | R454-V493 HydrophobicContact CG-CG1 3.8Å; M488-V493 HydrophobicContact CB-CB 4.45Å; M488-V493 PolarHBondContact N-O 2.83Å; M488-V493 PolarHBondContact O-N 2.93Å; M488-V493 VanDerWaalsContact O-N 3.12Å; D491-V493 VanDerWaalsContact C-N 3.25Å; D491-V493 HydrophobicContact CB-CG2 3.89Å; D491-V493 WeakPolarHBondContact O-CG2 3.33Å; D491-V493 PolarHBondContact O-N 3.42Å; V493-V495 HydrophobicContact CG1-CG2 3.55Å |
| 494 | F | 75.8 | Confident | 76.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.1 | 166.1 | 174 | -78.4 | 0 | 0 | 0 | 109.7 | R454 M455 W469 F477 M485 H486 V487 I496 Y507 | R454-F494 WeakPolarHBondContact CA-O 3.45Å; M455-F494 HydrophobicContact CB-CB 4.43Å; M455-F494 HydrophobicContact CB-CD1 4.4Å; M455-F494 HydrophobicContact CE-CD1 3.34Å; M455-F494 HydrophobicContact CE-CE1 3.39Å; M455-F494 HydrophobicContact CE-CG 4.22Å; M455-F494 HydrophobicContact CE-CZ 4.29Å; M455-F494 PolarHBondContact N-O 2.85Å; M455-F494 PolarHBondContact O-N 2.78Å; W469-F494 HydrophobicContact CB-CD2 4.3Å; W469-F494 HydrophobicContact CB-CE2 4.26Å; W469-F494 AromaticContact CD1-CD2 3.89Å; W469-F494 HydrophobicContact CD2-CB 4.26Å; W469-F494 AromaticContact CD2-CD2 3.64Å; W469-F494 HydrophobicContact CD2-CD2 3.64Å; W469-F494 HydrophobicContact CD2-CE2 4.21Å; W469-F494 HydrophobicContact CD2-CG 4.1Å; W469-F494 AromaticContact CE2-CD2 3.83Å; W469-F494 AromaticContact CE2-CG 3.96Å; W469-F494 HydrophobicContact CE3-CD2 4.17Å; W469-F494 HydrophobicContact CE3-CE2 4.48Å; W469-F494 HydrophobicContact CE3-CG 4.42Å; W469-F494 AromaticContact CG-CD2 3.69Å; W469-F494 HydrophobicContact CG-CD2 3.69Å; W469-F494 HydrophobicContact CG-CE2 4.13Å; W469-F494 HydrophobicContact CH2-CB 4.13Å; W469-F494 HydrophobicContact CH2-CG 4.47Å; W469-F494 HydrophobicContact CZ2-CB 3.52Å; W469-F494 HydrophobicContact CZ2-CD2 4.47Å; W469-F494 HydrophobicContact CZ2-CG 4.16Å; W469-F494 AromaticContact NE1-CD2 3.96Å; F477-F494 HydrophobicContact CD1-CE2 4.45Å; F477-F494 HydrophobicContact CD1-CZ 4.21Å; F477-F494 AromaticContact CE1-CE2 3.91Å; F477-F494 HydrophobicContact CE1-CE2 3.91Å; F477-F494 AromaticContact CE1-CZ 3.89Å; F477-F494 HydrophobicContact CE1-CZ 3.89Å; F477-F494 HydrophobicContact CZ-CE2 4.49Å; M485-F494 HydrophobicContact CE-CD2 4.05Å; M485-F494 HydrophobicContact CE-CE2 3.31Å; M485-F494 HydrophobicContact CE-CZ 4.12Å; M485-F494 HydrophobicContact CG-CE2 4.05Å; M485-F494 HydrophobicContact CG-CZ 4.13Å; M485-F494 HydrophobicContact SD-CE2 3.69Å; M485-F494 HydrophobicContact SD-CZ 3.87Å; H486-F494 WeakPolarHBondContact O-CA 3.31Å; V487-F494 HydrophobicContact CG2-CD2 3.92Å; V487-F494 HydrophobicContact CG2-CE2 4.45Å; F494-I496 HydrophobicContact CE1-CD1 3.9Å; F494-I496 HydrophobicContact CE1-CG1 3.8Å; F494-I496 HydrophobicContact CZ-CD1 4.02Å; F494-I496 HydrophobicContact CZ-CG1 4.11Å; F494-Y507 HydrophobicContact CE1-CD1 4.27Å; F494-Y507 HydrophobicContact CE1-CE1 4.14Å; F494-Y507 AromaticContact CZ-CD1 3.97Å; F494-Y507 HydrophobicContact CZ-CD1 3.97Å; F494-Y507 AromaticContact CZ-CE1 3.77Å; F494-Y507 HydrophobicContact CZ-CE1 3.77Å |
| 495 | V | 61.4 | Low | 76.8 | Confident | 23 Ų | 23 | 57 Ų | 57 | 14% | 0.139 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 139.7 | -177.9 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | T452 L453 R454 M485 H486 V493 V497 | T452-V495 HydrophobicContact CG2-CG1 3.82Å; L453-V495 CarbonylContact O-C 3.56Å; L453-V495 VanDerWaalsContact O-CA 3.25Å; L453-V495 WeakPolarHBondContact O-CA 3.45Å; L453-V495 WeakPolarHBondContact O-CG1 3.44Å; R454-V495 HydrophobicContact CB-CG2 4.44Å; R454-V495 HydrophobicContact CG-CG2 4.17Å; M485-V495 CarbonylContact C-O 3.52Å; M485-V495 WeakPolarHBondContact CA-O 3.35Å; H486-V495 PolarHBondContact N-O 3.49Å; H486-V495 PolarHBondContact O-N 3.49Å; V493-V495 HydrophobicContact CG1-CG2 3.55Å; V495-V497 HydrophobicContact CG1-CG1 4.29Å |
| 496 | I | 69.5 | Low | 77.2 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.5 | 163.4 | -60.3 | 177.3 | 0 | 0 | 0 | 109.3 | L453 A479 R484 M485 F494 D503 Y507 | L453-I496 HydrophobicContact CB-CB 4.23Å; L453-I496 HydrophobicContact CD2-CB 4.42Å; L453-I496 HydrophobicContact CD2-CD1 4.06Å; L453-I496 HydrophobicContact CD2-CG1 4.41Å; L453-I496 PolarHBondContact N-O 3.35Å; L453-I496 PolarHBondContact O-N 2.78Å; A479-I496 HydrophobicContact CB-CB 4.47Å; A479-I496 HydrophobicContact CB-CD1 3.75Å; A479-I496 HydrophobicContact CB-CG1 3.95Å; A479-I496 HydrophobicContact CB-CG2 3.72Å; R484-I496 HydrophobicContact CB-CG2 4.43Å; R484-I496 WeakPolarHBondContact O-CA 3.38Å; M485-I496 HydrophobicContact CB-CG1 4.39Å; F494-I496 HydrophobicContact CE1-CD1 3.9Å; F494-I496 HydrophobicContact CE1-CG1 3.8Å; F494-I496 HydrophobicContact CZ-CD1 4.02Å; F494-I496 HydrophobicContact CZ-CG1 4.11Å; I496-D503 HydrophobicContact CD1-CB 4.4Å; I496-Y507 HydrophobicContact CD1-CE1 4.2Å |
| 497 | V | 65.6 | Low | 78.2 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -149.2 | 134.8 | 177.3 | 59.4 | 0 | 0 | 0 | 0 | 112.1 | T452 R484 V495 | T452-V497 HydrophobicContact CG2-CB 4.29Å; R484-V497 WeakPolarHBondContact CB-O 3.48Å; R484-V497 PolarHBondContact O-N 3.46Å; R484-V497 VanDerWaalsContact O-N 3.08Å; V495-V497 HydrophobicContact CG1-CG1 4.29Å |
| 498 | P | 66.3 | Low | 79 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | S | Bend | cis | -70 | 151.3 | -16.5 | 31.1 | -34.9 | 0 | 0 | 0 | 111.3 | R484 | R484-P498 PolarHBondContact NH1-O 2.95Š|
| 499 | V | 77.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | trans | -74.3 | 130.8 | 175.8 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | V447 G450 G451 L453 D503 V526 | V447-V499 HydrophobicContact CG1-CG1 3.86Å; V447-V499 HydrophobicContact CG1-CG2 4.34Å; V447-V499 HydrophobicContact CG2-CG2 4.26Å; G450-V499 PolarHBondContact N-O 2.88Å; G451-V499 WeakPolarHBondContact O-CG2 3.27Å; G451-V499 PolarHBondContact O-N 2.99Å; L453-V499 HydrophobicContact CB-CG2 3.5Å; L453-V499 VanDerWaalsContact CB-CG2 3.5Å; L453-V499 VanDerWaalsContact N-CG2 3.26Å; V499-D503 HydrophobicContact CG1-CB 4.47Å; V499-V526 HydrophobicContact CG1-CG2 4.06Å | ||
| 500 | K | 85.4 | Confident | 81.1 | Confident | 84 Ų | 84 | 42.9 Ų | 42.9 | 37% | 0.365 | 25% | 0.245 | S | C | . | . | trans | -108.8 | 159.1 | 171.3 | -64 | -177.4 | -179.6 | 174.4 | 0 | 110.4 | E482 T502 D503 | E482-K500 VanDerWaalsContact CD-NZ 3.25Å; E482-K500 IonicContact OE1-NZ 2.69Å; E482-K500 PolarHBondContact OE1-NZ 2.83Å; E482-K500 VanDerWaalsContact OE1-NZ 3.14Å; E482-K500 WeakPolarHBondContact OE2-CE 3.32Å; E482-K500 IonicContact OE2-NZ 3.81Å; E482-K500 PolarHBondContact OE2-NZ 3Å; K500-T502 PolarHBondContact O-N 3.05Å; K500-D503 PolarHBondContact N-OD2 3.19Å; K500-D503 WeakPolarHBondContact O-CB 3.48Å; K500-D503 PolarHBondContact O-N 3.01Å | ||
| 501 | E | 88.6 | Confident | 82.4 | Confident | 140 Ų | 140 | 36.9 Ų | 36.9 | 65% | 0.654 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -55.3 | -34.6 | 175.1 | -65.1 | -179.3 | 175.9 | 0 | 0 | 112.6 | V449 D503 S504 | V449-E501 HydrophobicContact CG2-CG 3.84Å; E501-D503 PolarHBondContact O-N 2.76Å; E501-S504 WeakPolarHBondContact O-CB 3.24Å; E501-S504 PolarHBondContact O-N 2.91Å; E501-S504 VanDerWaalsContact O-N 3.13Å; E501-S504 PolarHBondContact O-OG 3.46Å |
| 502 | T | 91.7 | Very high | 83.8 | Confident | 85 Ų | 85 | 37.7 Ų | 37.7 | 52% | 0.521 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -65.4 | -15 | 176.8 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | K500 S504 | K500-T502 PolarHBondContact O-N 3.05Å; T502-S504 VanDerWaalsContact C-N 3.26Å |
| 503 | D | 90 | Very high | 84.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -83.4 | -7.8 | 177.7 | -54.5 | -37.4 | 0 | 0 | 0 | 111.8 | R484 I496 V499 K500 E501 Y507 | R484-D503 IonicContact CZ-OD1 2.66Å; R484-D503 IonicContact CZ-OD2 3.19Å; R484-D503 IonicContact NH1-OD1 2.75Å; R484-D503 PolarHBondContact NH1-OD1 3.35Å; R484-D503 IonicContact NH1-OD2 2.67Å; R484-D503 PolarHBondContact NH1-OD2 3.03Å; R484-D503 IonicContact NH2-OD1 3.45Å; R484-D503 PolarHBondContact NH2-OD1 3.32Å; R484-D503 IonicContact NH2-OD2 2.69Å; R484-D503 PolarHBondContact NH2-OD2 3.01Å; I496-D503 HydrophobicContact CD1-CB 4.4Å; V499-D503 HydrophobicContact CG1-CB 4.47Å; K500-D503 PolarHBondContact N-OD2 3.19Å; K500-D503 WeakPolarHBondContact O-CB 3.48Å; K500-D503 PolarHBondContact O-N 3.01Å; E501-D503 PolarHBondContact O-N 2.76Å; D503-Y507 VanDerWaalsContact O-CE2 3.24Å; D503-Y507 WeakPolarHBondContact O-CE2 3.38Å; D503-Y507 PolarHBondContact O-OH 3.16Å |
| 504 | S | 89.8 | Confident | 85.8 | Confident | 55 Ų | 55 | 41.2 Ų | 41.2 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | trans | -59.9 | 152.3 | 168.9 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | K471 E501 T502 V524 | K471-S504 PolarHBondContact NZ-O 3.47Å; E501-S504 WeakPolarHBondContact O-CB 3.24Å; E501-S504 PolarHBondContact O-N 2.91Å; E501-S504 VanDerWaalsContact O-N 3.13Å; E501-S504 PolarHBondContact O-OG 3.46Å; T502-S504 VanDerWaalsContact C-N 3.26Å; S504-V524 WeakPolarHBondContact CA-O 3.13Å; S504-V524 WeakPolarHBondContact CB-O 3.42Å | ||
| 505 | G | 90.4 | Very high | 86.6 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.2 | -168.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V524 | G505-V524 PolarHBondContact N-O 2.92Å; G505-V524 PolarHBondContact O-N 3.45Å |
| 506 | L | 91.2 | Very high | 88.2 | Confident | 71 Ų | 71 | 42 Ų | 42 | 37% | 0.372 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.8 | -176.8 | -168.7 | 71.9 | 0 | 0 | 0 | 110 | K471 D472 E521 | K471-L506 CarbonylContact C-O 3.46Å; K471-L506 WeakPolarHBondContact CA-O 3.38Å; D472-L506 PolarHBondContact N-O 2.97Å; D472-L506 PolarHBondContact OD1-N 3.06Å; L506-E521 HydrophobicContact CD1-CB 4.13Å; L506-E521 HydrophobicContact CD2-CB 4.44Å; L506-E521 HydrophobicContact CD2-CG 4.43Å; L506-E521 HydrophobicContact CG-CB 4.31Å |
| 507 | Y | 92.2 | Very high | 89.4 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.3 | 177.6 | -71.6 | -107.4 | 0 | 0 | 0 | 109.7 | M455 Q470 K471 F477 F494 I496 D503 E521 V522 V524 | M455-Y507 HydrophobicContact CE-CD1 3.92Å; M455-Y507 HydrophobicContact CE-CG 4Å; Q470-Y507 CarbonylContact O-C 3.59Å; Q470-Y507 WeakPolarHBondContact O-CA 3.31Å; K471-Y507 HydrophobicContact CB-CD1 4.41Å; K471-Y507 HydrophobicContact CB-CE1 4.22Å; K471-Y507 HydrophobicContact CD-CE1 4.2Å; K471-Y507 HydrophobicContact CD-CE2 4.37Å; K471-Y507 VanDerWaalsContact CE-OH 3.24Å; K471-Y507 WeakPolarHBondContact CE-OH 3.13Å; K471-Y507 HydrophobicContact CG-CE1 4.12Å; K471-Y507 HydrophobicContact CG-CE2 4.2Å; F477-Y507 HydrophobicContact CD1-CD1 4.44Å; F477-Y507 AromaticContact CD1-CE1 3.82Å; F477-Y507 HydrophobicContact CD1-CE1 3.82Å; F477-Y507 AromaticContact CE1-CD1 3.73Å; F477-Y507 HydrophobicContact CE1-CD1 3.73Å; F477-Y507 AromaticContact CE1-CE1 3.56Å; F477-Y507 HydrophobicContact CE1-CE1 3.56Å; F494-Y507 HydrophobicContact CE1-CD1 4.27Å; F494-Y507 HydrophobicContact CE1-CE1 4.14Å; F494-Y507 AromaticContact CZ-CD1 3.97Å; F494-Y507 HydrophobicContact CZ-CD1 3.97Å; F494-Y507 AromaticContact CZ-CE1 3.77Å; F494-Y507 HydrophobicContact CZ-CE1 3.77Å; I496-Y507 HydrophobicContact CD1-CE1 4.2Å; D503-Y507 VanDerWaalsContact O-CE2 3.24Å; D503-Y507 WeakPolarHBondContact O-CE2 3.38Å; D503-Y507 PolarHBondContact O-OH 3.16Å; Y507-E521 CarbonylContact O-C 3.59Å; Y507-E521 VanDerWaalsContact O-CA 3.3Å; Y507-E521 WeakPolarHBondContact O-CA 3.45Å; Y507-V522 PolarHBondContact N-O 2.76Å; Y507-V522 PolarHBondContact O-N 2.88Å; Y507-V524 HydrophobicContact CD2-CB 4.16Å; Y507-V524 HydrophobicContact CD2-CG2 3.59Å; Y507-V524 HydrophobicContact CE2-CB 4.04Å; Y507-V524 HydrophobicContact CE2-CG2 3.83Å; Y507-V524 HydrophobicContact CG-CG2 4.4Å |
| 508 | A | 94 | Very high | 90.8 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 5% | 0.05 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | W469 Q470 V520 E521 | W469-A508 CarbonylContact C-O 3.59Å; W469-A508 VanDerWaalsContact CA-O 3.32Å; W469-A508 WeakPolarHBondContact CA-O 3.49Å; Q470-A508 HydrophobicContact CB-CB 4.27Å; Q470-A508 PolarHBondContact N-O 3.2Å; Q470-A508 PolarHBondContact O-N 3.02Å; A508-V520 CarbonylContact C-O 3.19Å; A508-V520 VanDerWaalsContact CA-O 3.27Å; A508-V520 WeakPolarHBondContact CA-O 3.46Å; A508-E521 HydrophobicContact CB-CG 3.86Å |
| 509 | C | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132.5 | 164.1 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | F438 C457 S468 W469 K519 V520 | F438-C509 HydrophobicContact CE1-CB 4.49Å; F438-C509 WeakPolarHBondContact CZ-O 2.95Å; C457-C509 HydrophobicContact CB-CB 3.77Å; C457-C509 WeakPolarHBondContact CB-SG 3.15Å; C457-C509 WeakPolarHBondContact SG-CB 3.26Å; C457-C509 CovalentContact SG-SG 2.01Å; C457-C509 PolarHBondContact SG-SG 3.2Å; S468-C509 WeakPolarHBondContact O-CA 3.15Å; W469-C509 HydrophobicContact CD2-CB 4.26Å; W469-C509 HydrophobicContact CE3-CB 4.03Å; W469-C509 HydrophobicContact CH2-CB 3.97Å; W469-C509 HydrophobicContact CZ2-CB 4.19Å; W469-C509 HydrophobicContact CZ3-CB 3.89Å; C509-K519 CarbonylContact O-C 3.11Å; C509-K519 VanDerWaalsContact O-CA 3.29Å; C509-K519 WeakPolarHBondContact O-CA 3.38Å; C509-V520 HydrophobicContact CB-CG1 3.94Å; C509-V520 PolarHBondContact N-O 2.94Å; C509-V520 PolarHBondContact O-N 2.85Å |
| 510 | I | 96 | Very high | 93 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.5 | -174.1 | -56.3 | 171.1 | 0 | 0 | 0 | 109.1 | I467 S468 Q470 L517 T518 K519 | I467-I510 CarbonylContact C-O 3.51Å; I467-I510 WeakPolarHBondContact CA-O 3.46Å; S468-I510 PolarHBondContact N-O 3.45Å; S468-I510 PolarHBondContact O-N 3.47Å; Q470-I510 HydrophobicContact CG-CD1 3.85Å; I510-L517 HydrophobicContact CG2-CD1 4.2Å; I510-L517 HydrophobicContact CG2-CD2 4.31Å; I510-L517 HydrophobicContact CG2-CG 4.14Å; I510-T518 WeakPolarHBondContact CA-O 3.27Å; I510-K519 HydrophobicContact CG1-CB 4.03Å |
| 511 | A | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P436 F438 A459 P465 S466 I467 L517 T518 | P436-A511 HydrophobicContact CB-CB 3.96Å; F438-A511 HydrophobicContact CE1-CB 4Å; F438-A511 HydrophobicContact CZ-CB 4.24Å; A459-A511 HydrophobicContact CB-CB 3.38Å; P465-A511 HydrophobicContact CB-CB 4.35Å; S466-A511 VanDerWaalsContact O-CA 3.28Å; S466-A511 WeakPolarHBondContact O-CA 3.43Å; I467-A511 HydrophobicContact CD1-CB 3.72Å; A511-L517 WeakPolarHBondContact O-CA 3.47Å; A511-T518 HydrophobicContact CB-CG2 3.94Å; A511-T518 PolarHBondContact N-O 2.88Å; A511-T518 PolarHBondContact O-N 3.31Å |
| 512 | E | 96 | Very high | 93.4 | Very high | 103 Ų | 103 | 44.1 Ų | 44.1 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.4 | -171.4 | -175.8 | 176.2 | -165 | 0 | 0 | 113.5 | P465 S466 L517 | P465-E512 CarbonylContact C-O 3.53Å; P465-E512 WeakPolarHBondContact CA-O 3.26Å; S466-E512 PolarHBondContact N-O 3.09Å; S466-E512 PolarHBondContact O-N 3.41Å; E512-L517 HydrophobicContact CB-CD1 4.33Å; E512-L517 HydrophobicContact CG-CD1 4.18Å |
| 513 | S | 95.2 | Very high | 93.2 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 175.9 | 172.6 | 73.8 | 0 | 0 | 0 | 0 | 111.2 | P436 A515 G516 | P436-S513 WeakPolarHBondContact CD-OG 3.33Å; P436-S513 WeakPolarHBondContact CG-OG 3.45Å; S513-A515 PolarHBondContact O-N 3.49Å; S513-A515 VanDerWaalsContact O-N 3.16Å; S513-A515 PolarHBondContact OG-N 3.42Å; S513-G516 PolarHBondContact N-O 2.82Å; S513-G516 PolarHBondContact O-N 2.8Å; S513-G516 VanDerWaalsContact O-N 3.11Å |
| 514 | T | 93.8 | Very high | 92.9 | Very high | 111 Ų | 111 | 45.3 Ų | 45.3 | 68% | 0.681 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -20.7 | 173.7 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | P463 | P463-T514 WeakPolarHBondContact CD-OG1 3.37Å; P463-T514 WeakPolarHBondContact CG-OG1 3.39Å |
| 515 | A | 92.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -12.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q433 S513 | Q433-A515 HydrophobicContact CB-CB 3.99Å; S513-A515 PolarHBondContact O-N 3.49Å; S513-A515 VanDerWaalsContact O-N 3.16Å; S513-A515 PolarHBondContact OG-N 3.42Å |
| 516 | G | 94.3 | Very high | 91.9 | Very high | 28 Ų | 28 | 46 Ų | 46 | 29% | 0.289 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | -172.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | P436 S513 | P436-G516 VanDerWaalsContact CD-O 3.32Å; P436-G516 WeakPolarHBondContact CD-O 3.07Å; P436-G516 VanDerWaalsContact CG-O 3.28Å; P436-G516 WeakPolarHBondContact CG-O 3.32Å; S513-G516 PolarHBondContact N-O 2.82Å; S513-G516 PolarHBondContact O-N 2.8Å; S513-G516 VanDerWaalsContact O-N 3.11Å |
| 517 | L | 95.3 | Very high | 90.9 | Very high | 106 Ų | 106 | 46.9 Ų | 46.9 | 56% | 0.555 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.8 | -177.1 | -179.5 | 151.3 | 0 | 0 | 0 | 110.9 | I510 A511 E512 | I510-L517 HydrophobicContact CG2-CD1 4.2Å; I510-L517 HydrophobicContact CG2-CD2 4.31Å; I510-L517 HydrophobicContact CG2-CG 4.14Å; A511-L517 WeakPolarHBondContact O-CA 3.47Å; E512-L517 HydrophobicContact CB-CD1 4.33Å; E512-L517 HydrophobicContact CG-CD1 4.18Å |
| 518 | T | 95.4 | Very high | 88.7 | Confident | 45 Ų | 45 | 50.1 Ų | 50.1 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 154.1 | 173.2 | -167.3 | 0 | 0 | 0 | 0 | 111.9 | P436 F438 I510 A511 | P436-T518 HydrophobicContact CB-CG2 4.11Å; P436-T518 VanDerWaalsContact O-CG2 3.26Å; P436-T518 WeakPolarHBondContact O-CG2 3.49Å; F438-T518 HydrophobicContact CD2-CG2 4.05Å; F438-T518 HydrophobicContact CE2-CG2 3.55Å; F438-T518 HydrophobicContact CZ-CG2 3.88Å; I510-T518 WeakPolarHBondContact CA-O 3.27Å; A511-T518 HydrophobicContact CB-CG2 3.94Å; A511-T518 PolarHBondContact N-O 2.88Å; A511-T518 PolarHBondContact O-N 3.31Å |
| 519 | K | 95.5 | Very high | 85.9 | Confident | 119 Ų | 119 | 57.6 Ų | 57.6 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 150.2 | 179.1 | 68 | 168.4 | -176.9 | 161 | 0 | 112.7 | C509 I510 E521 | C509-K519 CarbonylContact O-C 3.11Å; C509-K519 VanDerWaalsContact O-CA 3.29Å; C509-K519 WeakPolarHBondContact O-CA 3.38Å; I510-K519 HydrophobicContact CG1-CB 4.03Å; K519-E521 IonicContact NZ-OE1 3.05Å; K519-E521 PolarHBondContact NZ-OE1 2.78Å |
| 520 | V | 92.9 | Very high | 83 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 16% | 0.158 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.4 | 173.1 | 60 | 0 | 0 | 0 | 0 | 110 | F438 P442 A508 C509 | F438-V520 HydrophobicContact CD1-CG1 4.35Å; F438-V520 HydrophobicContact CD2-CB 4.23Å; F438-V520 HydrophobicContact CD2-CG1 4.16Å; F438-V520 HydrophobicContact CE1-CG1 4Å; F438-V520 HydrophobicContact CE2-CB 3.83Å; F438-V520 HydrophobicContact CE2-CG1 3.78Å; F438-V520 HydrophobicContact CG-CG1 4.43Å; F438-V520 HydrophobicContact CZ-CB 4.21Å; F438-V520 HydrophobicContact CZ-CG1 3.7Å; P442-V520 HydrophobicContact CG-CG1 3.94Å; A508-V520 CarbonylContact C-O 3.19Å; A508-V520 VanDerWaalsContact CA-O 3.27Å; A508-V520 WeakPolarHBondContact CA-O 3.46Å; C509-V520 HydrophobicContact CB-CG1 3.94Å; C509-V520 PolarHBondContact N-O 2.94Å; C509-V520 PolarHBondContact O-N 2.85Å |
| 521 | E | 93.2 | Very high | 79.9 | Confident | 93 Ų | 93 | 68.8 Ų | 68.8 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.7 | -177.1 | -70.4 | 172.2 | -179.4 | 0 | 0 | 110.5 | L506 Y507 A508 K519 | L506-E521 HydrophobicContact CD1-CB 4.13Å; L506-E521 HydrophobicContact CD2-CB 4.44Å; L506-E521 HydrophobicContact CD2-CG 4.43Å; L506-E521 HydrophobicContact CG-CB 4.31Å; Y507-E521 CarbonylContact O-C 3.59Å; Y507-E521 VanDerWaalsContact O-CA 3.3Å; Y507-E521 WeakPolarHBondContact O-CA 3.45Å; A508-E521 HydrophobicContact CB-CG 3.86Å; K519-E521 IonicContact NZ-OE1 3.05Å; K519-E521 PolarHBondContact NZ-OE1 2.78Å |
| 522 | V | 89.7 | Confident | 76.8 | Confident | 4 Ų | 4 | 77.1 Ų | 77.1 | 2% | 0.024 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 145 | 179.1 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | P442 M455 Y507 | P442-V522 HydrophobicContact CB-CG1 3.96Å; P442-V522 HydrophobicContact CB-CG2 4.09Å; P442-V522 HydrophobicContact CG-CG1 3.85Å; P442-V522 HydrophobicContact CG-CG2 4.19Å; P442-V522 WeakPolarHBondContact O-CG1 3.41Å; M455-V522 HydrophobicContact SD-CG2 3.76Å; Y507-V522 PolarHBondContact N-O 2.76Å; Y507-V522 PolarHBondContact O-N 2.88Å |
| 523 | E | 88.9 | Confident | 73.8 | Confident | 108 Ų | 108 | 80.5 Ų | 80.5 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130 | 176.9 | -169.1 | 178.9 | -166.1 | 0 | 0 | 110.6 | N444 V445 V525 | N444-E523 VanDerWaalsContact CA-O 3.31Å; N444-E523 WeakPolarHBondContact CA-O 3.39Å; N444-E523 PolarHBondContact OD1-N 2.7Å; V445-E523 PolarHBondContact N-O 3.24Å; E523-V525 HydrophobicContact CG-CG2 3.93Å |
| 524 | V | 83 | Confident | 70.7 | Confident | 2 Ų | 2 | 86.2 Ų | 86.2 | 1% | 0.012 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 110.7 | 172 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | V445 V447 L453 M455 S504 G505 Y507 | V445-V524 WeakPolarHBondContact O-CA 3.42Å; V447-V524 HydrophobicContact CG1-CG1 4.39Å; L453-V524 HydrophobicContact CD1-CG1 4.09Å; L453-V524 HydrophobicContact CD1-CG2 4.17Å; L453-V524 HydrophobicContact CD2-CG1 3.93Å; L453-V524 HydrophobicContact CD2-CG2 4.01Å; M455-V524 HydrophobicContact SD-CG2 4.27Å; S504-V524 WeakPolarHBondContact CA-O 3.13Å; S504-V524 WeakPolarHBondContact CB-O 3.42Å; G505-V524 PolarHBondContact N-O 2.92Å; G505-V524 PolarHBondContact O-N 3.45Å; Y507-V524 HydrophobicContact CD2-CB 4.16Å; Y507-V524 HydrophobicContact CD2-CG2 3.59Å; Y507-V524 HydrophobicContact CE2-CB 4.04Å; Y507-V524 HydrophobicContact CE2-CG2 3.83Å; Y507-V524 HydrophobicContact CG-CG2 4.4Å |
| 525 | V | 80.3 | Confident | 67.8 | Low | 56 Ų | 56 | 92.9 Ų | 92.9 | 34% | 0.339 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 140.9 | 178 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | V445 A446 V447 E523 L527 | V445-V525 PolarHBondContact O-N 3.12Å; A446-V525 CarbonylContact C-O 3.54Å; A446-V525 VanDerWaalsContact CA-O 3.22Å; A446-V525 WeakPolarHBondContact CA-O 3.27Å; V447-V525 PolarHBondContact N-O 3.1Å; E523-V525 HydrophobicContact CG-CG2 3.93Å; V525-L527 HydrophobicContact CG1-CD2 4.09Å |
| 526 | V | 77.7 | Confident | 64.9 | Low | 36 Ų | 36 | 100.2 Ų | 100.2 | 22% | 0.218 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.4 | 177.6 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | V447 V449 V499 | V447-V526 HydrophobicContact CG1-CG2 4.26Å; V447-V526 CarbonylContact O-C 3.5Å; V447-V526 WeakPolarHBondContact O-CA 3.31Å; V447-V526 WeakPolarHBondContact O-CG1 3.3Å; V449-V526 HydrophobicContact CB-CG1 4.32Å; V449-V526 HydrophobicContact CG2-CG1 3.4Å; V499-V526 HydrophobicContact CG1-CG2 4.06Å |
| 527 | L | 72.1 | Confident | 62 | Low | 90 Ų | 90 | 105.8 Ų | 105.8 | 47% | 0.471 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104 | 156.9 | -167.9 | -66.8 | -176.5 | 0 | 0 | 0 | 116.5 | A446 V447 T448 V525 | A446-L527 HydrophobicContact CB-CD1 3.33Å; A446-L527 HydrophobicContact CB-CD2 4.22Å; A446-L527 HydrophobicContact CB-CG 3.6Å; V447-L527 PolarHBondContact O-N 2.89Å; T448-L527 WeakPolarHBondContact CG2-O 3.44Å; V525-L527 HydrophobicContact CG1-CD2 4.09Å |
| 528 | G | 44.7 | Very low | 59.1 | Low | 69 Ų | 69 | 110 Ų | 110 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | trans | -115.5 | 176.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 529 | N | 36.1 | Very low | 56.6 | Low | 163 Ų | 163 | 112.5 Ų | 112.5 | 87% | 0.872 | 62% | 0.615 | S | S | * | * | trans | -94 | 136 | -154.8 | -54.4 | -19 | 0 | 0 | 0 | 118.5 | ||||
| 530 | G | 34.7 | Very low | 54.1 | Low | 78 Ų | 78 | 109.1 Ų | 109.1 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | trans | 172.5 | 161.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 531 | N | 29.3 | Very low | 52.2 | Low | 172 Ų | 172 | 113.1 Ų | 113.1 | 92% | 0.92 | 63% | 0.629 | S | S | * | * | trans | -112.9 | 162.3 | -152 | -51.9 | -34.5 | 0 | 0 | 0 | 121.6 | ||||
| 532 | I | 32.7 | Very low | 51 | Low | 175 Ų | 175 | 113 Ų | 113 | 90% | 0.897 | 64% | 0.639 | S | S | * | * | trans | -149.3 | 158.8 | -177.4 | -60.6 | -177.4 | 0 | 0 | 0 | 118.6 | ||||
| 533 | L | 33.2 | Very low | 50.5 | Low | 174 Ų | 174 | 113.6 Ų | 113.6 | 91% | 0.911 | 64% | 0.641 | S | S | * | * | trans | -125.9 | 171 | -168.2 | -70.4 | 163.1 | 0 | 0 | 0 | 118.8 | ||||
| 534 | T | 30.1 | Very low | 50.1 | Low | 142 Ų | 142 | 113 Ų | 113 | 87% | 0.871 | 65% | 0.649 | S | S | * | * | trans | -134.1 | 165.3 | -165.2 | 47.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 535 | R | 31.5 | Very low | 50.2 | Low | 252 Ų | 252 | 118.1 Ų | 118.1 | 95% | 0.951 | 68% | 0.677 | S | S | * | * | trans | -143.3 | 166 | -177.7 | -97.7 | -176.3 | 180 | 161.7 | 0.7 | 116.7 | ||||
| 536 | N | 31.5 | Very low | 50.4 | Low | 166 Ų | 166 | 120.1 Ų | 120.1 | 89% | 0.888 | 68% | 0.681 | S | S | * | * | trans | -112.5 | 156.3 | -162 | -71.5 | -31.7 | 0 | 0 | 0 | 118.9 | ||||
| 537 | I | 34.4 | Very low | 50.8 | Low | 145 Ų | 145 | 121.5 Ų | 121.5 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | trans | -143.1 | 155.2 | 171.1 | -57.5 | 177 | 0 | 0 | 0 | 112.4 | G607 | I537-G607 WeakPolarHBondContact CG2-O 3.5Š| ||
| 538 | K | 34.7 | Very low | 51.1 | Low | 194 Ų | 194 | 117.6 Ų | 117.6 | 84% | 0.843 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 148.3 | -177.7 | -90.5 | 178.3 | 173.4 | 177.9 | 0 | 116.2 | ||
| 539 | A | 41.6 | Very low | 52.7 | Low | 99 Ų | 99 | 116.5 Ų | 116.5 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 134.5 | -157.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 540 | P | 42.9 | Very low | 54.9 | Low | 47 Ų | 47 | 111 Ų | 111 | 31% | 0.305 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -81.5 | 168.9 | 168.2 | -29.5 | 44.6 | 0 | 0 | 0 | 116.9 | S542 Y605 | P540-S542 PolarHBondContact O-N 2.61Å; P540-Y605 HydrophobicContact CB-CE2 4.31Å; P540-Y605 VanDerWaalsContact CB-OH 3.23Å; P540-Y605 WeakPolarHBondContact CB-OH 3.02Å; P540-Y605 WeakPolarHBondContact CD-OH 3.42Å; P540-Y605 HydrophobicContact CG-CE2 3.45Å; P540-Y605 VanDerWaalsContact CG-CE2 3.45Å; P540-Y605 VanDerWaalsContact CG-CZ 3.42Å; P540-Y605 WeakPolarHBondContact CG-OH 3.22Å |
| 541 | T | 53.3 | Low | 56.5 | Low | 110 Ų | 110 | 109.1 Ų | 109.1 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 124.6 | 175.1 | 8.8 | 0 | 0 | 0 | 0 | 111.7 | G559 | T541-G559 PolarHBondContact OG1-O 3.2Š|
| 542 | S | 69.2 | Low | 58.1 | Low | 91 Ų | 91 | 105.6 Ų | 105.6 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 139.2 | -169.1 | -166.3 | 0 | 0 | 0 | 0 | 112.9 | P540 T610 | P540-S542 PolarHBondContact O-N 2.61Å; S542-T610 WeakPolarHBondContact CA-OG1 3.36Å; S542-T610 PolarHBondContact OG-OG1 3.28Å; S542-T610 VanDerWaalsContact OG-OG1 3.07Å |
| 543 | M | 78.3 | Confident | 59.5 | Low | 16 Ų | 16 | 99.6 Ų | 99.6 | 8% | 0.079 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -50.2 | 152.3 | 163.6 | -75.8 | 170.7 | 53.9 | 0 | 0 | 111.4 | L556 E557 W566 Y601 C603 T610 A612 | M543-L556 HydrophobicContact CE-CB 4.35Å; M543-L556 HydrophobicContact CE-CD1 4.33Å; M543-E557 VanDerWaalsContact CG-O 3.25Å; M543-E557 WeakPolarHBondContact CG-O 3.3Å; M543-W566 HydrophobicContact CE-CH2 4.03Å; M543-W566 HydrophobicContact CE-CZ3 3.6Å; M543-W566 HydrophobicContact SD-CH2 4Å; M543-W566 HydrophobicContact SD-CZ3 3.87Å; M543-Y601 WeakPolarHBondContact CE-O 3.49Å; M543-C603 HydrophobicContact SD-CB 3.69Å; M543-T610 HydrophobicContact CB-CG2 4.27Å; M543-T610 HydrophobicContact CG-CG2 3.52Å; M543-T610 PolarHBondContact N-OG1 2.75Å; M543-T610 HydrophobicContact SD-CG2 3.75Å; M543-A612 HydrophobicContact CB-CB 3.69Å; M543-A612 HydrophobicContact CE-CB 3.67Å |
| 544 | S | 80.3 | Confident | 61.5 | Low | 96 Ų | 96 | 91.3 Ų | 91.3 | 67% | 0.671 | 51% | 0.509 | S | S | * | . | trans | -114.4 | 144.2 | 178.1 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | A612 | S544-A612 VanDerWaalsContact C-CB 3.4Å; S544-A612 WeakPolarHBondContact O-CB 3.05Å | ||
| 545 | D | 86.5 | Confident | 63.7 | Low | 110 Ų | 110 | 86 Ų | 86 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | trans | -60.9 | 140.8 | 179.3 | -72.8 | -3.6 | 0 | 0 | 0 | 111.8 | R613 | D545-R613 WeakPolarHBondContact CA-O 3.31Å; D545-R613 HydrophobicContact CB-CB 4.47Å; D545-R613 WeakPolarHBondContact OD1-CB 3.48Å; D545-R613 PolarHBondContact OD1-N 3.31Å | ||
| 546 | K | 83.4 | Confident | 66 | Low | 97 Ų | 97 | 74.2 Ų | 74.2 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 136.2 | -178.2 | -162.5 | 79.8 | 178.9 | -168.6 | 0 | 110 | V548 L556 R613 L614 V615 | K546-V548 HydrophobicContact CG-CG1 4.24Å; K546-L556 HydrophobicContact CB-CD2 3.74Å; K546-L556 HydrophobicContact CG-CD2 4.47Å; K546-R613 PolarHBondContact N-O 3.14Å; K546-L614 HydrophobicContact CB-CD1 3.98Å; K546-L614 HydrophobicContact CG-CD1 4.29Å; K546-L614 CarbonylContact O-C 3.26Å; K546-L614 WeakPolarHBondContact O-CA 3.26Å; K546-V615 PolarHBondContact O-N 2.68Å |
| 547 | T | 86.3 | Confident | 68 | Low | 66 Ų | 66 | 72.3 Ų | 72.3 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.8 | 170.5 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | V615 R617 | T547-V615 CarbonylContact C-O 3.48Å; T547-V615 VanDerWaalsContact CA-O 3.26Å; T547-V615 WeakPolarHBondContact CA-O 3.47Å; T547-V615 HydrophobicContact CG2-CB 4.15Å; T547-V615 HydrophobicContact CG2-CG1 4.24Å; T547-R617 HydrophobicContact CG2-CG 3.88Å |
| 548 | V | 77.6 | Confident | 70.1 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.042 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 158.8 | 178.2 | -60.7 | 0 | 0 | 0 | 0 | 110 | K546 E552 A554 A593 L614 V615 V616 R617 | K546-V548 HydrophobicContact CG-CG1 4.24Å; V548-E552 HydrophobicContact CB-CB 4.24Å; V548-A554 HydrophobicContact CG1-CB 3.92Å; V548-A554 HydrophobicContact CG2-CB 4.17Å; V548-A593 HydrophobicContact CG2-CB 3.76Å; V548-L614 HydrophobicContact CG1-CD1 4.36Å; V548-L614 HydrophobicContact CG2-CD1 4.03Å; V548-V615 PolarHBondContact N-O 2.96Å; V548-V616 HydrophobicContact CG2-CG1 4.48Å; V548-V616 HydrophobicContact CG2-CG2 3.97Å; V548-V616 CarbonylContact O-C 3.15Å; V548-V616 VanDerWaalsContact O-CA 3.3Å; V548-V616 WeakPolarHBondContact O-CA 3.34Å; V548-R617 PolarHBondContact O-N 3.39Å |
| 549 | S | 79.7 | Confident | 71.8 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 33% | 0.329 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 152.7 | 171 | -46.3 | 0 | 0 | 0 | 0 | 110.6 | G551 E552 R617 | S549-G551 PolarHBondContact O-N 3Å; S549-E552 PolarHBondContact N-OE2 3.5Å; S549-E552 VanDerWaalsContact O-CB 3.32Å; S549-E552 WeakPolarHBondContact O-CB 3.38Å; S549-E552 PolarHBondContact O-N 3.38Å; S549-E552 PolarHBondContact OG-OE1 3.49Å; S549-R617 CarbonylContact C-O 3.51Å; S549-R617 WeakPolarHBondContact CA-O 3.33Å |
| 550 | S | 81.2 | Confident | 73.1 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 127.6 | 175.1 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | A593 R617 | S550-A593 CarbonylContact C-O 3.58Å; S550-A593 VanDerWaalsContact CA-O 3.3Å; S550-A593 WeakPolarHBondContact CA-O 3.36Å; S550-R617 PolarHBondContact N-O 3.01Å |
| 551 | G | 69.6 | Low | 73.7 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 40% | 0.402 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -16.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S549 D592 A593 | S549-G551 PolarHBondContact O-N 3Å; G551-D592 WeakPolarHBondContact CA-OD1 3.21Å; G551-A593 PolarHBondContact N-O 3.37Å |
| 552 | E | 63.2 | Low | 74.2 | Confident | 99 Ų | 99 | 56.5 Ų | 56.5 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -76.6 | 161.4 | 177.2 | -68.8 | 179.9 | 170.7 | 0 | 0 | 112 | V548 S549 A593 | V548-E552 HydrophobicContact CB-CB 4.24Å; S549-E552 PolarHBondContact N-OE2 3.5Å; S549-E552 VanDerWaalsContact O-CB 3.32Å; S549-E552 WeakPolarHBondContact O-CB 3.38Å; S549-E552 PolarHBondContact O-N 3.38Å; S549-E552 PolarHBondContact OG-OE1 3.49Å; E552-A593 WeakPolarHBondContact O-CB 3.35Å; E552-A593 PolarHBondContact O-N 3.24Å |
| 553 | M | 61.4 | Low | 74.4 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 130.8 | 169.6 | 173.1 | -179 | -84 | 0 | 0 | 110.7 | Y117 V555 V589 I590 I591 | Y117-M553 HydrophobicContact CD1-CE 4.3Å; Y117-M553 HydrophobicContact CD2-CE 3.89Å; Y117-M553 HydrophobicContact CE1-CE 3.63Å; Y117-M553 HydrophobicContact CE1-SD 3.71Å; Y117-M553 HydrophobicContact CE2-CE 3.13Å; Y117-M553 HydrophobicContact CE2-SD 4.28Å; Y117-M553 HydrophobicContact CG-CE 4.43Å; Y117-M553 VanDerWaalsContact CZ-SD 3.53Å; Y117-M553 WeakPolarHBondContact OH-CE 3.49Å; Y117-M553 PolarHBondContact OH-SD 3.12Å; Y117-M553 VanDerWaalsContact OH-SD 3.32Å; M553-V555 HydrophobicContact CG-CG2 4Å; M553-V555 HydrophobicContact SD-CG2 3.96Å; M553-V589 HydrophobicContact CE-CG1 3.35Å; M553-V589 HydrophobicContact CG-CG1 3.82Å; M553-V589 HydrophobicContact SD-CG1 3.52Å; M553-V589 VanDerWaalsContact SD-CG1 3.52Å; M553-I590 VanDerWaalsContact CA-O 3.3Å; M553-I590 WeakPolarHBondContact CA-O 3.26Å; M553-I591 HydrophobicContact CE-CD1 4.39Å; M553-I591 HydrophobicContact CE-CG1 3.84Å |
| 554 | A | 75.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V548 V589 I590 A593 L614 | V548-A554 HydrophobicContact CG1-CB 3.92Å; V548-A554 HydrophobicContact CG2-CB 4.17Å; A554-V589 CarbonylContact O-C 3.47Å; A554-V589 WeakPolarHBondContact O-CA 3.43Å; A554-I590 HydrophobicContact CB-CB 4.26Å; A554-I590 HydrophobicContact CB-CD1 4.4Å; A554-I590 PolarHBondContact N-O 3.44Å; A554-I590 PolarHBondContact O-N 3.33Å; A554-A593 HydrophobicContact CB-CB 4.45Å; A554-L614 HydrophobicContact CB-CD1 3.64Å; A554-L614 HydrophobicContact CB-CD2 3.78Å; A554-L614 HydrophobicContact CB-CG 4.39Å |
| 555 | V | 74.9 | Confident | 75 | Confident | 30 Ų | 30 | 58 Ų | 58 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.6 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | M553 M587 L588 V589 | M553-V555 HydrophobicContact CG-CG2 4Å; M553-V555 HydrophobicContact SD-CG2 3.96Å; V555-M587 HydrophobicContact CG1-SD 4.38Å; V555-L588 WeakPolarHBondContact CA-O 3.45Å; V555-V589 HydrophobicContact CG1-CG2 4.23Å; V555-V589 HydrophobicContact CG2-CG1 4.3Å; V555-V589 HydrophobicContact CG2-CG2 4.19Å |
| 556 | L | 80.7 | Confident | 75.2 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.7 | 175.1 | -58.4 | 178.2 | 0 | 0 | 0 | 109.3 | M543 K546 W566 M587 L588 Y601 | M543-L556 HydrophobicContact CE-CB 4.35Å; M543-L556 HydrophobicContact CE-CD1 4.33Å; K546-L556 HydrophobicContact CB-CD2 3.74Å; K546-L556 HydrophobicContact CG-CD2 4.47Å; L556-W566 HydrophobicContact CB-CH2 3.86Å; L556-W566 HydrophobicContact CB-CZ3 3.97Å; L556-W566 HydrophobicContact CD1-CZ3 4.42Å; L556-W566 WeakPolarHBondContact O-CH2 3.24Å; L556-M587 CarbonylContact O-C 3.52Å; L556-M587 VanDerWaalsContact O-CA 3.28Å; L556-M587 WeakPolarHBondContact O-CA 3.04Å; L556-L588 HydrophobicContact CB-CB 4.35Å; L556-L588 HydrophobicContact CD1-CD2 4.27Å; L556-L588 PolarHBondContact N-O 3.24Å; L556-L588 PolarHBondContact O-N 3.15Å; L556-Y601 VanDerWaalsContact CD1-CB 3.47Å; L556-Y601 HydrophobicContact CD1-CD1 4.19Å; L556-Y601 HydrophobicContact CD1-CD2 3.63Å; L556-Y601 HydrophobicContact CD1-CE2 4.43Å; L556-Y601 HydrophobicContact CD1-CG 3.48Å; L556-Y601 VanDerWaalsContact CD1-CG 3.48Å |
| 557 | E | 74.4 | Confident | 75.6 | Confident | 125 Ų | 125 | 49.2 Ų | 49.2 | 58% | 0.584 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.1 | -179.9 | -63.6 | 179.1 | -174.5 | 0 | 0 | 109.7 | M543 G559 M587 | M543-E557 VanDerWaalsContact CG-O 3.25Å; M543-E557 WeakPolarHBondContact CG-O 3.3Å; E557-G559 VanDerWaalsContact C-N 3.29Å; E557-G559 PolarHBondContact O-N 3.31Å; E557-M587 HydrophobicContact CG-CG 4.27Å |
| 558 | C | 77.6 | Confident | 75.9 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | trans | -68 | -25.7 | -175.6 | -175.2 | 0 | 0 | 0 | 0 | 113.6 | H560 W566 Q586 C603 T610 | C558-H560 PolarHBondContact O-N 3.32Å; C558-W566 HydrophobicContact CB-CH2 4.33Å; C558-W566 HydrophobicContact CB-CZ2 3.82Å; C558-Q586 WeakPolarHBondContact CB-O 3.48Å; C558-Q586 PolarHBondContact N-O 3.3Å; C558-C603 HydrophobicContact CB-CB 3.88Å; C558-C603 WeakPolarHBondContact CB-SG 3.44Å; C558-C603 WeakPolarHBondContact SG-CB 3.47Å; C558-C603 CovalentContact SG-SG 2.03Å; C558-C603 PolarHBondContact SG-SG 3.28Å; C558-T610 VanDerWaalsContact O-CG2 3.27Å; C558-T610 WeakPolarHBondContact O-CG2 3.47Å | ||
| 559 | G | 70.7 | Confident | 76.6 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | trans | 70.6 | 5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T541 E557 | T541-G559 PolarHBondContact OG1-O 3.2Å; E557-G559 VanDerWaalsContact C-N 3.29Å; E557-G559 PolarHBondContact O-N 3.31Å | ||
| 560 | H | 69.1 | Low | 77 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 27% | 0.269 | 32% | 0.32 | S | S | . | . | trans | -118.9 | 141.6 | 174.5 | -177.1 | 52.4 | 0 | 0 | 0 | 111.5 | C558 G562 Y605 | C558-H560 PolarHBondContact O-N 3.32Å; H560-G562 PolarHBondContact O-N 3Å; H560-Y605 HydrophobicContact CB-CD1 3.61Å; H560-Y605 HydrophobicContact CB-CD2 4.48Å; H560-Y605 HydrophobicContact CB-CE1 3.73Å; H560-Y605 HydrophobicContact CB-CG 4.03Å; H560-Y605 WeakPolarHBondContact CD2-CB 3.24Å; H560-Y605 AromaticContact CD2-CD1 3.62Å; H560-Y605 AromaticContact CD2-CD2 3.39Å; H560-Y605 WeakPolarHBondContact CD2-CD2 3.5Å; H560-Y605 AromaticContact CD2-CG 3.09Å; H560-Y605 AromaticContact CG-CD1 3.8Å; H560-Y605 AromaticContact CG-CD2 3.83Å; H560-Y605 AromaticContact CG-CG 3.67Å; H560-Y605 AromaticContact NE2-CD2 3.66Å; H560-Y605 AromaticContact NE2-CG 3.8Å | ||
| 561 | D | 55.2 | Low | 77.3 | Confident | 139 Ų | 139 | 58.1 Ų | 58.1 | 74% | 0.743 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -96.1 | 80 | 179 | -160.4 | 19.6 | 0 | 0 | 0 | 109.6 | Q586 | D561-Q586 PolarHBondContact OD1-NE2 3.02Š|
| 562 | G | 63.1 | Low | 78.3 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 177.2 | 168.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H560 A564 Q584 | H560-G562 PolarHBondContact O-N 3Å; G562-A564 PolarHBondContact O-N 2.93Å; G562-Q584 VanDerWaalsContact O-O 3.05Å |
| 563 | S | 73.8 | Confident | 79.4 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 69% | 0.692 | 33% | 0.333 | S | S | * | . | trans | -59.7 | 126.6 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | Q584 Y605 | S563-Q584 WeakPolarHBondContact CA-O 3.23Å; S563-Y605 WeakPolarHBondContact O-CB 3.41Å | ||
| 564 | A | 83.3 | Confident | 80.4 | Confident | 11 Ų | 11 | 65.7 Ų | 65.7 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 147.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G562 Q584 C603 R604 | G562-A564 PolarHBondContact O-N 2.93Å; A564-Q584 PolarHBondContact N-O 3.28Å; A564-Q584 VanDerWaalsContact N-O 3.17Å; A564-C603 WeakPolarHBondContact CB-SG 3.44Å; A564-R604 CarbonylContact C-O 3.55Å; A564-R604 VanDerWaalsContact CA-O 3.26Å; A564-R604 WeakPolarHBondContact CA-O 3.33Å |
| 565 | E | 87.9 | Confident | 80.1 | Confident | 124 Ų | 124 | 69 Ų | 69 | 58% | 0.579 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137 | 175.8 | -63.8 | -179.9 | 165.5 | 0 | 0 | 109.6 | F567 R604 | E565-F567 HydrophobicContact CB-CE2 3.88Å; E565-R604 PolarHBondContact N-O 3.3Å; E565-R604 PolarHBondContact O-N 2.77Å |
| 566 | W | 90 | Very high | 79.9 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 1% | 0.011 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.5 | -178.2 | -73.1 | 84.6 | 0 | 0 | 0 | 111.7 | M543 L556 C558 L573 I581 G585 L588 A602 C603 | M543-W566 HydrophobicContact CE-CH2 4.03Å; M543-W566 HydrophobicContact CE-CZ3 3.6Å; M543-W566 HydrophobicContact SD-CH2 4Å; M543-W566 HydrophobicContact SD-CZ3 3.87Å; L556-W566 HydrophobicContact CB-CH2 3.86Å; L556-W566 HydrophobicContact CB-CZ3 3.97Å; L556-W566 HydrophobicContact CD1-CZ3 4.42Å; L556-W566 WeakPolarHBondContact O-CH2 3.24Å; C558-W566 HydrophobicContact CB-CH2 4.33Å; C558-W566 HydrophobicContact CB-CZ2 3.82Å; W566-L573 HydrophobicContact CB-CB 4.2Å; W566-L573 HydrophobicContact CB-CD1 4.14Å; W566-L573 PolarHBondContact O-N 2.83Å; W566-I581 HydrophobicContact CB-CD1 3.99Å; W566-I581 HydrophobicContact CG-CD1 4.32Å; W566-I581 HydrophobicContact CG-CG1 4.41Å; W566-G585 PolarHBondContact NE1-O 3.43Å; W566-L588 HydrophobicContact CB-CD1 4.36Å; W566-L588 HydrophobicContact CD2-CB 3.67Å; W566-L588 HydrophobicContact CD2-CD1 4.41Å; W566-L588 HydrophobicContact CD2-CD2 4.28Å; W566-L588 HydrophobicContact CD2-CG 4.36Å; W566-L588 HydrophobicContact CE3-CB 3.76Å; W566-L588 HydrophobicContact CE3-CD2 3.84Å; W566-L588 HydrophobicContact CE3-CG 4.33Å; W566-L588 HydrophobicContact CG-CB 4.29Å; W566-L588 HydrophobicContact CG-CD1 4.23Å; W566-L588 HydrophobicContact CH2-CB 3.94Å; W566-L588 HydrophobicContact CZ2-CB 3.87Å; W566-L588 HydrophobicContact CZ3-CB 3.88Å; W566-L588 HydrophobicContact CZ3-CD2 4.28Å; W566-A602 CarbonylContact C-O 3.52Å; W566-A602 WeakPolarHBondContact CA-O 3.49Å; W566-C603 HydrophobicContact CD2-CB 4.33Å; W566-C603 HydrophobicContact CE3-CB 4.21Å; W566-C603 HydrophobicContact CH2-CB 4.04Å; W566-C603 HydrophobicContact CZ2-CB 4.14Å; W566-C603 HydrophobicContact CZ3-CB 4.08Å |
| 567 | F | 92.3 | Very high | 78.9 | Confident | 19 Ų | 19 | 76.3 Ų | 76.3 | 8% | 0.083 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.1 | 177.4 | -62.7 | -104.2 | 0 | 0 | 0 | 109.8 | E565 K571 P572 Y601 A602 R604 | E565-F567 HydrophobicContact CB-CE2 3.88Å; F567-K571 CarbonylContact C-O 3.59Å; F567-K571 WeakPolarHBondContact CA-O 3.41Å; F567-P572 HydrophobicContact CD1-CB 4.12Å; F567-P572 HydrophobicContact CE1-CB 3.81Å; F567-P572 HydrophobicContact CZ-CB 4.39Å; F567-Y601 CarbonylContact O-C 3.39Å; F567-Y601 VanDerWaalsContact O-CA 3.29Å; F567-Y601 WeakPolarHBondContact O-CA 3.06Å; F567-A602 HydrophobicContact CB-CB 4.33Å; F567-A602 PolarHBondContact N-O 3.06Å; F567-A602 PolarHBondContact O-N 2.8Å; F567-R604 HydrophobicContact CD2-CB 4.19Å; F567-R604 HydrophobicContact CE2-CB 3.75Å |
| 568 | H | 94.1 | Very high | 79 | Confident | 29 Ų | 29 | 72.8 Ų | 72.8 | 13% | 0.134 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.1 | 169.8 | -178.7 | 32.7 | 0 | 0 | 0 | 108.6 | G570 K571 L573 R596 Q598 Y601 | H568-G570 PolarHBondContact O-N 3.31Å; H568-G570 VanDerWaalsContact O-N 3.09Å; H568-K571 PolarHBondContact N-O 2.93Å; H568-K571 PolarHBondContact O-N 3.32Å; H568-L573 HydrophobicContact CB-CD1 3.96Å; H568-L573 HydrophobicContact CB-CD2 3.77Å; H568-L573 HydrophobicContact CB-CG 3.94Å; H568-R596 PolarHBondContact NE2-O 2.79Å; H568-R596 VanDerWaalsContact NE2-O 3.09Å; H568-Q598 PolarHBondContact CE1-O 2.82Å; H568-Y601 HydrophobicContact CB-CD1 4.2Å; H568-Y601 HydrophobicContact CB-CE1 3.84Å; H568-Y601 AromaticContact CE1-CE2 3.86Å; H568-Y601 AromaticContact CE1-CZ 3.74Å; H568-Y601 AromaticContact CG-CE1 3.86Å; H568-Y601 AromaticContact CG-CZ 3.88Å; H568-Y601 AromaticContact ND1-CE1 3.85Å; H568-Y601 AromaticContact ND1-CE2 3.76Å; H568-Y601 AromaticContact ND1-CZ 3.56Å |
| 569 | N | 91.9 | Very high | 79 | Confident | 99 Ų | 99 | 73.9 Ų | 73.9 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 38.7 | -178.3 | -60.7 | -32.8 | 0 | 0 | 0 | 112.9 | K571 G599 V600 | N569-K571 PolarHBondContact O-N 3.15Å; N569-G599 WeakPolarHBondContact OD1-CA 3.36Å; N569-V600 PolarHBondContact N-O 3.24Å; N569-V600 PolarHBondContact OD1-N 3.05Å |
| 570 | G | 87.5 | Confident | 78.6 | Confident | 65 Ų | 65 | 74.4 Ų | 74.4 | 67% | 0.67 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | -7.3 | 179 | 0 | 0 | 0 | 0 | 0 | 116.3 | H568 | H568-G570 PolarHBondContact O-N 3.31Å; H568-G570 VanDerWaalsContact O-N 3.09Å |
| 571 | K | 88.1 | Confident | 78.8 | Confident | 161 Ų | 161 | 73.4 Ų | 73.4 | 70% | 0.7 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.2 | 176.3 | -65.8 | -178.2 | 179.9 | -179.8 | 0 | 111.1 | F567 H568 N569 L573 | F567-K571 CarbonylContact C-O 3.59Å; F567-K571 WeakPolarHBondContact CA-O 3.41Å; H568-K571 PolarHBondContact N-O 2.93Å; H568-K571 PolarHBondContact O-N 3.32Å; N569-K571 PolarHBondContact O-N 3.15Å; K571-L573 PolarHBondContact O-N 3.23Å |
| 572 | P | 90.6 | Very high | 79.2 | Confident | 93 Ų | 93 | 69.3 Ų | 69.3 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64 | 132.1 | 178.6 | 26.3 | -33.3 | 0 | 0 | 0 | 110.7 | F567 | F567-P572 HydrophobicContact CD1-CB 4.12Å; F567-P572 HydrophobicContact CE1-CB 3.81Å; F567-P572 HydrophobicContact CZ-CB 4.39Å |
| 573 | L | 86.6 | Confident | 78.9 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 17% | 0.168 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 138.7 | 171.9 | -68.8 | 173.9 | 0 | 0 | 0 | 109.6 | W566 H568 K571 I579 I581 L588 Y601 | W566-L573 HydrophobicContact CB-CB 4.2Å; W566-L573 HydrophobicContact CB-CD1 4.14Å; W566-L573 PolarHBondContact O-N 2.83Å; H568-L573 HydrophobicContact CB-CD1 3.96Å; H568-L573 HydrophobicContact CB-CD2 3.77Å; H568-L573 HydrophobicContact CB-CG 3.94Å; K571-L573 PolarHBondContact O-N 3.23Å; L573-I579 HydrophobicContact CD1-CG2 4.49Å; L573-I579 HydrophobicContact CD2-CD1 4.06Å; L573-I581 HydrophobicContact CB-CD1 4.28Å; L573-L588 HydrophobicContact CD1-CD1 4.07Å; L573-L588 HydrophobicContact CD1-CD2 3.86Å; L573-Y601 HydrophobicContact CD1-CD1 3.82Å; L573-Y601 HydrophobicContact CD1-CE1 3.69Å |
| 574 | R | 82.5 | Confident | 78.7 | Confident | 220 Ų | 220 | 81.2 Ų | 81.2 | 83% | 0.83 | 41% | 0.407 | S | S | * | . | trans | -111.8 | 144.8 | 167.1 | -64.2 | -175.1 | -179.7 | -172.3 | 0.1 | 108.5 | G576 | R574-G576 PolarHBondContact O-N 3.32Š| ||
| 575 | S | 68.3 | Low | 78.2 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 48% | 0.483 | 40% | 0.404 | S | S | . | . | trans | -58.5 | 137.1 | 170.6 | -160.1 | 0 | 0 | 0 | 0 | 109.2 | I579 I581 | S575-I579 CarbonylContact C-O 3.55Å; S575-I579 WeakPolarHBondContact CA-O 3.26Å; S575-I581 PolarHBondContact OG-N 2.88Å | ||
| 576 | G | 70.2 | Confident | 77.3 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 38% | 0.381 | 39% | 0.391 | S | S | . | . | trans | -156.8 | -166.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R574 R578 I579 F580 | R574-G576 PolarHBondContact O-N 3.32Å; G576-R578 PolarHBondContact O-N 3.27Å; G576-I579 PolarHBondContact N-O 3.07Å; G576-F580 WeakPolarHBondContact O-CE1 3.41Å; G576-F580 VanDerWaalsContact O-CZ 3.29Å; G576-F580 WeakPolarHBondContact O-CZ 3.13Å | ||
| 577 | Q | 60.2 | Low | 76.1 | Confident | 152 Ų | 152 | 79.8 Ų | 79.8 | 71% | 0.71 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -63.5 | -25.6 | -172.7 | -77.7 | -176.8 | -24.9 | 0 | 0 | 115.1 | R113 F580 | R113-Q577 PolarHBondContact NH2-O 2.95Å; R113-Q577 VanDerWaalsContact NH2-O 3.11Å; Q577-F580 VanDerWaalsContact O-CE2 3.25Å; Q577-F580 WeakPolarHBondContact O-CE2 3.47Å; Q577-F580 WeakPolarHBondContact O-CZ 3.35Å |
| 578 | R | 76.7 | Confident | 75.4 | Confident | 51 Ų | 51 | 78.9 Ų | 78.9 | 19% | 0.192 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -116.3 | -33.4 | -174.9 | -168.6 | -179.7 | 65.7 | 85.4 | 0.6 | 113.8 | G576 I590 I591 D597 | G576-R578 PolarHBondContact O-N 3.27Å; R578-I590 VanDerWaalsContact NH1-CG2 3.31Å; R578-I591 HydrophobicContact CG-CB 4.48Å; R578-I591 WeakPolarHBondContact CG-O 3.38Å; R578-I591 PolarHBondContact O-N 3.19Å; R578-D597 IonicContact CZ-OD1 3.56Å; R578-D597 IonicContact CZ-OD2 3.52Å; R578-D597 IonicContact NH1-OD1 2.69Å; R578-D597 PolarHBondContact NH1-OD1 2.92Å; R578-D597 IonicContact NH1-OD2 3.79Å; R578-D597 PolarHBondContact NH1-OD2 2.93Å; R578-D597 IonicContact NH2-OD1 3.65Å; R578-D597 PolarHBondContact NH2-OD1 2.86Å; R578-D597 IonicContact NH2-OD2 2.72Å |
| 579 | I | 76.5 | Confident | 74.2 | Confident | 24 Ų | 24 | 78.8 Ų | 78.8 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 117.5 | -179.4 | -62.4 | 177.9 | 0 | 0 | 0 | 107.6 | L573 S575 G576 L588 V589 I590 | L573-I579 HydrophobicContact CD1-CG2 4.49Å; L573-I579 HydrophobicContact CD2-CD1 4.06Å; S575-I579 CarbonylContact C-O 3.55Å; S575-I579 WeakPolarHBondContact CA-O 3.26Å; G576-I579 PolarHBondContact N-O 3.07Å; I579-L588 HydrophobicContact CG2-CD1 3.47Å; I579-L588 VanDerWaalsContact CG2-CD1 3.47Å; I579-L588 HydrophobicContact CG2-CG 4.44Å; I579-V589 CarbonylContact C-O 3.57Å; I579-I590 HydrophobicContact CG1-CG1 4.49Å |
| 580 | F | 63.4 | Low | 73.5 | Confident | 57 Ų | 57 | 74.1 Ų | 74.1 | 25% | 0.25 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.7 | -177.4 | -65 | -91.4 | 0 | 0 | 0 | 110.2 | G576 Q577 L588 V589 I591 | G576-F580 WeakPolarHBondContact O-CE1 3.41Å; G576-F580 VanDerWaalsContact O-CZ 3.29Å; G576-F580 WeakPolarHBondContact O-CZ 3.13Å; Q577-F580 VanDerWaalsContact O-CE2 3.25Å; Q577-F580 WeakPolarHBondContact O-CE2 3.47Å; Q577-F580 WeakPolarHBondContact O-CZ 3.35Å; F580-L588 CarbonylContact O-C 3.11Å; F580-L588 WeakPolarHBondContact O-CA 3.47Å; F580-V589 HydrophobicContact CB-CB 4.19Å; F580-V589 PolarHBondContact N-O 3.01Å; F580-V589 PolarHBondContact O-N 3.42Å; F580-I591 HydrophobicContact CD2-CD1 3.73Å; F580-I591 HydrophobicContact CD2-CG1 3.93Å; F580-I591 HydrophobicContact CE2-CD1 3.28Å; F580-I591 HydrophobicContact CE2-CG1 3.83Å; F580-I591 HydrophobicContact CZ-CD1 4.17Å |
| 581 | I | 73.2 | Confident | 72.5 | Confident | 37 Ų | 37 | 72.4 Ų | 72.4 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.6 | 171.8 | -59.2 | 170 | 0 | 0 | 0 | 106.4 | W566 L573 S575 L588 | W566-I581 HydrophobicContact CB-CD1 3.99Å; W566-I581 HydrophobicContact CG-CD1 4.32Å; W566-I581 HydrophobicContact CG-CG1 4.41Å; L573-I581 HydrophobicContact CB-CD1 4.28Å; S575-I581 PolarHBondContact OG-N 2.88Å; I581-L588 HydrophobicContact CD1-CD1 4.33Å; I581-L588 HydrophobicContact CG1-CD1 3.6Å |
| 582 | T | 63.4 | Low | 71.7 | Confident | 53 Ų | 53 | 69 Ų | 69 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | trans | -61.4 | 158.4 | 177.2 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | Q584 G585 Q586 M587 | T582-Q584 PolarHBondContact O-N 3.38Å; T582-G585 PolarHBondContact O-N 3.4Å; T582-Q586 PolarHBondContact OG1-N 2.91Å; T582-Q586 VanDerWaalsContact OG1-N 3.11Å; T582-M587 HydrophobicContact CG2-CB 3.93Å; T582-M587 PolarHBondContact N-O 3.36Å; T582-M587 VanDerWaalsContact N-O 3.16Å; T582-M587 PolarHBondContact OG1-N 3.13Å | ||
| 583 | R | 57.4 | Low | 71.2 | Confident | 263 Ų | 263 | 64.6 Ų | 64.6 | 99% | 0.992 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -26.2 | -174.6 | -82.8 | -174.8 | 174 | 169.5 | -1.3 | 115.3 | ||
| 584 | Q | 68.4 | Low | 71.2 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 4.5 | 176.9 | -68.1 | -178.3 | -9.6 | 0 | 0 | 113.5 | G562 S563 A564 T582 Q586 | G562-Q584 VanDerWaalsContact O-O 3.05Å; S563-Q584 WeakPolarHBondContact CA-O 3.23Å; A564-Q584 PolarHBondContact N-O 3.28Å; A564-Q584 VanDerWaalsContact N-O 3.17Å; T582-Q584 PolarHBondContact O-N 3.38Å; Q584-Q586 HydrophobicContact CB-CG 4.12Å; Q584-Q586 PolarHBondContact O-N 3.35Å |
| 585 | G | 72.5 | Confident | 71.5 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 73.7 | 9.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W566 T582 M587 | W566-G585 PolarHBondContact NE1-O 3.43Å; T582-G585 PolarHBondContact O-N 3.4Å; G585-M587 VanDerWaalsContact C-N 3.29Å; G585-M587 PolarHBondContact O-N 3.16Å |
| 586 | Q | 69.5 | Low | 72.6 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -66.3 | -28.8 | -176.6 | -70.2 | 174.5 | -28 | 0 | 0 | 113.4 | C558 D561 T582 Q584 | C558-Q586 WeakPolarHBondContact CB-O 3.48Å; C558-Q586 PolarHBondContact N-O 3.3Å; D561-Q586 PolarHBondContact OD1-NE2 3.02Å; T582-Q586 PolarHBondContact OG1-N 2.91Å; T582-Q586 VanDerWaalsContact OG1-N 3.11Å; Q584-Q586 HydrophobicContact CB-CG 4.12Å; Q584-Q586 PolarHBondContact O-N 3.35Å |
| 587 | M | 64.6 | Low | 73.6 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 143 | 178.2 | -56.8 | -179.5 | -166.9 | 0 | 0 | 111.3 | V555 L556 E557 T582 G585 | V555-M587 HydrophobicContact CG1-SD 4.38Å; L556-M587 CarbonylContact O-C 3.52Å; L556-M587 VanDerWaalsContact O-CA 3.28Å; L556-M587 WeakPolarHBondContact O-CA 3.04Å; E557-M587 HydrophobicContact CG-CG 4.27Å; T582-M587 HydrophobicContact CG2-CB 3.93Å; T582-M587 PolarHBondContact N-O 3.36Å; T582-M587 VanDerWaalsContact N-O 3.16Å; T582-M587 PolarHBondContact OG1-N 3.13Å; G585-M587 VanDerWaalsContact C-N 3.29Å; G585-M587 PolarHBondContact O-N 3.16Å |
| 588 | L | 78.3 | Confident | 75.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.4 | 165.6 | -177.1 | 73.4 | 0 | 0 | 0 | 108.8 | V555 L556 W566 L573 I579 F580 I581 I590 Y601 | V555-L588 WeakPolarHBondContact CA-O 3.45Å; L556-L588 HydrophobicContact CB-CB 4.35Å; L556-L588 HydrophobicContact CD1-CD2 4.27Å; L556-L588 PolarHBondContact N-O 3.24Å; L556-L588 PolarHBondContact O-N 3.15Å; W566-L588 HydrophobicContact CB-CD1 4.36Å; W566-L588 HydrophobicContact CD2-CB 3.67Å; W566-L588 HydrophobicContact CD2-CD1 4.41Å; W566-L588 HydrophobicContact CD2-CD2 4.28Å; W566-L588 HydrophobicContact CD2-CG 4.36Å; W566-L588 HydrophobicContact CE3-CB 3.76Å; W566-L588 HydrophobicContact CE3-CD2 3.84Å; W566-L588 HydrophobicContact CE3-CG 4.33Å; W566-L588 HydrophobicContact CG-CB 4.29Å; W566-L588 HydrophobicContact CG-CD1 4.23Å; W566-L588 HydrophobicContact CH2-CB 3.94Å; W566-L588 HydrophobicContact CZ2-CB 3.87Å; W566-L588 HydrophobicContact CZ3-CB 3.88Å; W566-L588 HydrophobicContact CZ3-CD2 4.28Å; L573-L588 HydrophobicContact CD1-CD1 4.07Å; L573-L588 HydrophobicContact CD1-CD2 3.86Å; I579-L588 HydrophobicContact CG2-CD1 3.47Å; I579-L588 VanDerWaalsContact CG2-CD1 3.47Å; I579-L588 HydrophobicContact CG2-CG 4.44Å; F580-L588 CarbonylContact O-C 3.11Å; F580-L588 WeakPolarHBondContact O-CA 3.47Å; I581-L588 HydrophobicContact CD1-CD1 4.33Å; I581-L588 HydrophobicContact CG1-CD1 3.6Å; L588-I590 HydrophobicContact CD2-CD1 4.28Å; L588-I590 HydrophobicContact CD2-CG1 4.42Å; L588-I590 HydrophobicContact CG-CG1 4.39Å; L588-Y601 HydrophobicContact CD2-CD1 3.23Å; L588-Y601 HydrophobicContact CD2-CE1 3.48Å; L588-Y601 VanDerWaalsContact CD2-CE1 3.48Å; L588-Y601 HydrophobicContact CD2-CG 4.1Å |
| 589 | V | 68.8 | Low | 75.9 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 17% | 0.17 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 120.3 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | M553 A554 V555 I579 F580 | M553-V589 HydrophobicContact CE-CG1 3.35Å; M553-V589 HydrophobicContact CG-CG1 3.82Å; M553-V589 HydrophobicContact SD-CG1 3.52Å; M553-V589 VanDerWaalsContact SD-CG1 3.52Å; A554-V589 CarbonylContact O-C 3.47Å; A554-V589 WeakPolarHBondContact O-CA 3.43Å; V555-V589 HydrophobicContact CG1-CG2 4.23Å; V555-V589 HydrophobicContact CG2-CG1 4.3Å; V555-V589 HydrophobicContact CG2-CG2 4.19Å; I579-V589 CarbonylContact C-O 3.57Å; F580-V589 HydrophobicContact CB-CB 4.19Å; F580-V589 PolarHBondContact N-O 3.01Å; F580-V589 PolarHBondContact O-N 3.42Å |
| 590 | I | 77.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 113.9 | 177.6 | -57.7 | 161.8 | 0 | 0 | 0 | 107 | M553 A554 R578 I579 L588 A593 D597 Y601 L614 | M553-I590 VanDerWaalsContact CA-O 3.3Å; M553-I590 WeakPolarHBondContact CA-O 3.26Å; A554-I590 HydrophobicContact CB-CB 4.26Å; A554-I590 HydrophobicContact CB-CD1 4.4Å; A554-I590 PolarHBondContact N-O 3.44Å; A554-I590 PolarHBondContact O-N 3.33Å; R578-I590 VanDerWaalsContact NH1-CG2 3.31Å; I579-I590 HydrophobicContact CG1-CG1 4.49Å; L588-I590 HydrophobicContact CD2-CD1 4.28Å; L588-I590 HydrophobicContact CD2-CG1 4.42Å; L588-I590 HydrophobicContact CG-CG1 4.39Å; I590-A593 HydrophobicContact CG2-CB 4.37Å; I590-D597 HydrophobicContact CG2-CB 4.36Å; I590-Y601 HydrophobicContact CD1-CE1 3.89Å; I590-Y601 HydrophobicContact CD1-CE2 4.14Å; I590-Y601 VanDerWaalsContact CD1-OH 3.26Å; I590-Y601 WeakPolarHBondContact CD1-OH 3.34Å; I590-L614 HydrophobicContact CD1-CD2 3.56Å |
| 591 | I | 66.1 | Low | 78.1 | Confident | 29 Ų | 29 | 54 Ų | 54 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -83.7 | 138.6 | 174.6 | -54.3 | -172.4 | 0 | 0 | 0 | 108.2 | F142 M553 R578 F580 | F142-I591 HydrophobicContact CZ-CD1 4.16Å; M553-I591 HydrophobicContact CE-CD1 4.39Å; M553-I591 HydrophobicContact CE-CG1 3.84Å; R578-I591 HydrophobicContact CG-CB 4.48Å; R578-I591 WeakPolarHBondContact CG-O 3.38Å; R578-I591 PolarHBondContact O-N 3.19Å; F580-I591 HydrophobicContact CD2-CD1 3.73Å; F580-I591 HydrophobicContact CD2-CG1 3.93Å; F580-I591 HydrophobicContact CE2-CD1 3.28Å; F580-I591 HydrophobicContact CE2-CG1 3.83Å; F580-I591 HydrophobicContact CZ-CD1 4.17Å |
| 592 | D | 70.3 | Confident | 79 | Confident | 91 Ų | 91 | 53.4 Ų | 53.4 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 55.9 | 61 | 176.8 | -174.5 | 39.9 | 0 | 0 | 0 | 111.4 | G551 N594 | G551-D592 WeakPolarHBondContact CA-OD1 3.21Å; D592-N594 PolarHBondContact O-N 3.06Å |
| 593 | A | 80.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -63.7 | 132.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V548 S550 G551 E552 A554 I590 D597 V616 | V548-A593 HydrophobicContact CG2-CB 3.76Å; S550-A593 CarbonylContact C-O 3.58Å; S550-A593 VanDerWaalsContact CA-O 3.3Å; S550-A593 WeakPolarHBondContact CA-O 3.36Å; G551-A593 PolarHBondContact N-O 3.37Å; E552-A593 WeakPolarHBondContact O-CB 3.35Å; E552-A593 PolarHBondContact O-N 3.24Å; A554-A593 HydrophobicContact CB-CB 4.45Å; I590-A593 HydrophobicContact CG2-CB 4.37Å; A593-D597 WeakPolarHBondContact CA-OD2 3.39Å; A593-V616 HydrophobicContact CB-CG2 4.25Å | ||
| 594 | N | 88.1 | Confident | 81.7 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | trans | -138.2 | -179.4 | 179 | 64.7 | 68.1 | 0 | 0 | 0 | 111.4 | D592 R596 D597 V616 | D592-N594 PolarHBondContact O-N 3.06Å; N594-R596 PolarHBondContact ND2-NE 2.82Å; N594-R596 PolarHBondContact O-N 2.87Å; N594-R596 VanDerWaalsContact OD1-CD 3.23Å; N594-R596 WeakPolarHBondContact OD1-CD 3.31Å; N594-R596 WeakPolarHBondContact OD1-CG 3.41Å; N594-R596 PolarHBondContact OD1-N 2.79Å; N594-R596 VanDerWaalsContact OD1-N 3.08Å; N594-R596 PolarHBondContact OD1-NE 2.82Å; N594-D597 PolarHBondContact N-OD2 3.47Å; N594-D597 WeakPolarHBondContact O-CB 3.41Å; N594-D597 PolarHBondContact O-N 2.86Å; N594-V616 WeakPolarHBondContact O-CG2 3.06Å | ||
| 595 | A | 88.4 | Confident | 82.5 | Confident | 66 Ų | 66 | 40.3 Ų | 40.3 | 55% | 0.545 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -53.4 | -30.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D597 Q598 | A595-D597 PolarHBondContact O-N 3.2Å; A595-Q598 WeakPolarHBondContact O-CB 3.06Å; A595-Q598 PolarHBondContact O-N 2.91Å |
| 596 | R | 91.4 | Very high | 82.8 | Confident | 160 Ų | 160 | 50 Ų | 50 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -71.5 | -18.7 | 178.4 | 85.9 | -156.5 | 166.4 | 174.3 | -12.4 | 113.6 | H568 N594 Q598 | H568-R596 PolarHBondContact NE2-O 2.79Å; H568-R596 VanDerWaalsContact NE2-O 3.09Å; N594-R596 PolarHBondContact ND2-NE 2.82Å; N594-R596 PolarHBondContact O-N 2.87Å; N594-R596 VanDerWaalsContact OD1-CD 3.23Å; N594-R596 WeakPolarHBondContact OD1-CD 3.31Å; N594-R596 WeakPolarHBondContact OD1-CG 3.41Å; N594-R596 PolarHBondContact OD1-N 2.79Å; N594-R596 VanDerWaalsContact OD1-N 3.08Å; N594-R596 PolarHBondContact OD1-NE 2.82Å; R596-Q598 VanDerWaalsContact C-N 3.33Å |
| 597 | D | 91.3 | Very high | 83 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -85.9 | -12.1 | 176.8 | -55.7 | -51.4 | 0 | 0 | 0 | 111.7 | R578 I590 A593 N594 A595 G599 Y601 L614 | R578-D597 IonicContact CZ-OD1 3.56Å; R578-D597 IonicContact CZ-OD2 3.52Å; R578-D597 IonicContact NH1-OD1 2.69Å; R578-D597 PolarHBondContact NH1-OD1 2.92Å; R578-D597 IonicContact NH1-OD2 3.79Å; R578-D597 PolarHBondContact NH1-OD2 2.93Å; R578-D597 IonicContact NH2-OD1 3.65Å; R578-D597 PolarHBondContact NH2-OD1 2.86Å; R578-D597 IonicContact NH2-OD2 2.72Å; I590-D597 HydrophobicContact CG2-CB 4.36Å; A593-D597 WeakPolarHBondContact CA-OD2 3.39Å; N594-D597 PolarHBondContact N-OD2 3.47Å; N594-D597 WeakPolarHBondContact O-CB 3.41Å; N594-D597 PolarHBondContact O-N 2.86Å; A595-D597 PolarHBondContact O-N 3.2Å; D597-G599 PolarHBondContact O-N 2.85Å; D597-Y601 WeakPolarHBondContact O-CE2 3.43Å; D597-Y601 PolarHBondContact O-OH 2.85Å; D597-L614 HydrophobicContact CB-CD2 4.24Å |
| 598 | Q | 92.6 | Very high | 83.8 | Confident | 93 Ų | 93 | 47.8 Ų | 47.8 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | trans | -62.4 | 133.9 | 172.2 | -176.8 | 170.2 | -6.4 | 0 | 0 | 110.1 | H568 A595 R596 L614 | H568-Q598 PolarHBondContact CE1-O 2.82Å; A595-Q598 WeakPolarHBondContact O-CB 3.06Å; A595-Q598 PolarHBondContact O-N 2.91Å; R596-Q598 VanDerWaalsContact C-N 3.33Å; Q598-L614 WeakPolarHBondContact CG-O 3.49Å | ||
| 599 | G | 93 | Very high | 84.2 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | -165.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N569 D597 R613 L614 | N569-G599 WeakPolarHBondContact OD1-CA 3.36Å; D597-G599 PolarHBondContact O-N 2.85Å; G599-R613 WeakPolarHBondContact O-CA 3.39Å; G599-L614 PolarHBondContact N-O 3.08Å; G599-L614 PolarHBondContact O-N 2.84Å |
| 600 | V | 92.6 | Very high | 85.1 | Confident | 54 Ų | 54 | 49.8 Ų | 49.8 | 33% | 0.327 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.7 | -180 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | N569 | N569-V600 PolarHBondContact N-O 3.24Å; N569-V600 PolarHBondContact OD1-N 3.05Å |
| 601 | Y | 93.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.3 | 173.2 | -72 | -91.8 | 0 | 0 | 0 | 109.2 | M543 L556 F567 H568 L573 L588 I590 D597 S611 A612 L614 | M543-Y601 WeakPolarHBondContact CE-O 3.49Å; L556-Y601 VanDerWaalsContact CD1-CB 3.47Å; L556-Y601 HydrophobicContact CD1-CD1 4.19Å; L556-Y601 HydrophobicContact CD1-CD2 3.63Å; L556-Y601 HydrophobicContact CD1-CE2 4.43Å; L556-Y601 HydrophobicContact CD1-CG 3.48Å; L556-Y601 VanDerWaalsContact CD1-CG 3.48Å; F567-Y601 CarbonylContact O-C 3.39Å; F567-Y601 VanDerWaalsContact O-CA 3.29Å; F567-Y601 WeakPolarHBondContact O-CA 3.06Å; H568-Y601 HydrophobicContact CB-CD1 4.2Å; H568-Y601 HydrophobicContact CB-CE1 3.84Å; H568-Y601 AromaticContact CE1-CE2 3.86Å; H568-Y601 AromaticContact CE1-CZ 3.74Å; H568-Y601 AromaticContact CG-CE1 3.86Å; H568-Y601 AromaticContact CG-CZ 3.88Å; H568-Y601 AromaticContact ND1-CE1 3.85Å; H568-Y601 AromaticContact ND1-CE2 3.76Å; H568-Y601 AromaticContact ND1-CZ 3.56Å; L573-Y601 HydrophobicContact CD1-CD1 3.82Å; L573-Y601 HydrophobicContact CD1-CE1 3.69Å; L588-Y601 HydrophobicContact CD2-CD1 3.23Å; L588-Y601 HydrophobicContact CD2-CE1 3.48Å; L588-Y601 VanDerWaalsContact CD2-CE1 3.48Å; L588-Y601 HydrophobicContact CD2-CG 4.1Å; I590-Y601 HydrophobicContact CD1-CE1 3.89Å; I590-Y601 HydrophobicContact CD1-CE2 4.14Å; I590-Y601 VanDerWaalsContact CD1-OH 3.26Å; I590-Y601 WeakPolarHBondContact CD1-OH 3.34Å; D597-Y601 WeakPolarHBondContact O-CE2 3.43Å; D597-Y601 PolarHBondContact O-OH 2.85Å; Y601-S611 CarbonylContact O-C 3.48Å; Y601-S611 WeakPolarHBondContact O-CA 3.17Å; Y601-S611 WeakPolarHBondContact O-CB 3.33Å; Y601-A612 PolarHBondContact N-O 3.05Å; Y601-A612 PolarHBondContact O-N 2.66Å; Y601-L614 HydrophobicContact CD2-CB 3.84Å; Y601-L614 HydrophobicContact CE2-CB 3.65Å; Y601-L614 HydrophobicContact CE2-CD2 3.77Å; Y601-L614 HydrophobicContact CE2-CG 4.37Å |
| 602 | A | 91.6 | Very high | 86.9 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 20% | 0.198 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | W566 F567 T610 | W566-A602 CarbonylContact C-O 3.52Å; W566-A602 WeakPolarHBondContact CA-O 3.49Å; F567-A602 HydrophobicContact CB-CB 4.33Å; F567-A602 PolarHBondContact N-O 3.06Å; F567-A602 PolarHBondContact O-N 2.8Å; A602-T610 CarbonylContact C-O 3.51Å; A602-T610 VanDerWaalsContact CA-O 3.27Å; A602-T610 WeakPolarHBondContact CA-O 3.49Å |
| 603 | C | 88.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.4 | 167.3 | -169.6 | 0 | 0 | 0 | 0 | 108.5 | M543 C558 A564 W566 S609 T610 | M543-C603 HydrophobicContact SD-CB 3.69Å; C558-C603 HydrophobicContact CB-CB 3.88Å; C558-C603 WeakPolarHBondContact CB-SG 3.44Å; C558-C603 WeakPolarHBondContact SG-CB 3.47Å; C558-C603 CovalentContact SG-SG 2.03Å; C558-C603 PolarHBondContact SG-SG 3.28Å; A564-C603 WeakPolarHBondContact CB-SG 3.44Å; W566-C603 HydrophobicContact CD2-CB 4.33Å; W566-C603 HydrophobicContact CE3-CB 4.21Å; W566-C603 HydrophobicContact CH2-CB 4.04Å; W566-C603 HydrophobicContact CZ2-CB 4.14Å; W566-C603 HydrophobicContact CZ3-CB 4.08Å; C603-S609 CarbonylContact O-C 3.45Å; C603-S609 WeakPolarHBondContact O-CA 3.35Å; C603-S609 WeakPolarHBondContact O-CB 3.17Å; C603-S609 PolarHBondContact O-OG 2.88Å; C603-T610 HydrophobicContact CB-CG2 4.23Å; C603-T610 PolarHBondContact N-O 3.04Å; C603-T610 PolarHBondContact O-N 2.7Å |
| 604 | R | 88.8 | Confident | 88.4 | Confident | 133 Ų | 133 | 53.2 Ų | 53.2 | 50% | 0.502 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.3 | 179.6 | -175.3 | -175.5 | -69.7 | 178.4 | -1.6 | 109.6 | A564 E565 F567 | A564-R604 CarbonylContact C-O 3.55Å; A564-R604 VanDerWaalsContact CA-O 3.26Å; A564-R604 WeakPolarHBondContact CA-O 3.33Å; E565-R604 PolarHBondContact N-O 3.3Å; E565-R604 PolarHBondContact O-N 2.77Å; F567-R604 HydrophobicContact CD2-CB 4.19Å; F567-R604 HydrophobicContact CE2-CB 3.75Å |
| 605 | Y | 85.5 | Confident | 88.6 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 6% | 0.059 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 173.2 | 178.3 | 45.8 | -98 | 0 | 0 | 0 | 110 | P540 H560 S563 G607 G608 S609 T610 | P540-Y605 HydrophobicContact CB-CE2 4.31Å; P540-Y605 VanDerWaalsContact CB-OH 3.23Å; P540-Y605 WeakPolarHBondContact CB-OH 3.02Å; P540-Y605 WeakPolarHBondContact CD-OH 3.42Å; P540-Y605 HydrophobicContact CG-CE2 3.45Å; P540-Y605 VanDerWaalsContact CG-CE2 3.45Å; P540-Y605 VanDerWaalsContact CG-CZ 3.42Å; P540-Y605 WeakPolarHBondContact CG-OH 3.22Å; H560-Y605 HydrophobicContact CB-CD1 3.61Å; H560-Y605 HydrophobicContact CB-CD2 4.48Å; H560-Y605 HydrophobicContact CB-CE1 3.73Å; H560-Y605 HydrophobicContact CB-CG 4.03Å; H560-Y605 WeakPolarHBondContact CD2-CB 3.24Å; H560-Y605 AromaticContact CD2-CD1 3.62Å; H560-Y605 AromaticContact CD2-CD2 3.39Å; H560-Y605 WeakPolarHBondContact CD2-CD2 3.5Å; H560-Y605 AromaticContact CD2-CG 3.09Å; H560-Y605 AromaticContact CG-CD1 3.8Å; H560-Y605 AromaticContact CG-CD2 3.83Å; H560-Y605 AromaticContact CG-CG 3.67Å; H560-Y605 AromaticContact NE2-CD2 3.66Å; H560-Y605 AromaticContact NE2-CG 3.8Å; S563-Y605 WeakPolarHBondContact O-CB 3.41Å; Y605-G607 PolarHBondContact O-N 2.02Å; Y605-G608 VanDerWaalsContact CE2-C 3.41Å; Y605-G608 PolarHBondContact N-O 3.3Å; Y605-G608 PolarHBondContact O-N 3.46Å; Y605-G608 VanDerWaalsContact O-N 3.16Å; Y605-S609 PolarHBondContact OH-N 3.01Å; Y605-T610 HydrophobicContact CE1-CG2 4.26Å |
| 606 | K | 78.5 | Confident | 88.6 | Confident | 205 Ų | 205 | 50.9 Ų | 50.9 | 89% | 0.891 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 103.9 | 178.4 | -168.3 | 178.3 | -177.8 | 179.6 | 0 | 110 | ||
| 607 | G | 73.8 | Confident | 88.4 | Confident | 33 Ų | 33 | 51 Ų | 51 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 107.3 | 0 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | I537 Y605 | I537-G607 WeakPolarHBondContact CG2-O 3.5Å; Y605-G607 PolarHBondContact O-N 2.02Å |
| 608 | G | 82.5 | Confident | 87.6 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 27% | 0.268 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.2 | -176.9 | 176 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y605 | Y605-G608 VanDerWaalsContact CE2-C 3.41Å; Y605-G608 PolarHBondContact N-O 3.3Å; Y605-G608 PolarHBondContact O-N 3.46Å; Y605-G608 VanDerWaalsContact O-N 3.16Å |
| 609 | S | 85.3 | Confident | 85.9 | Confident | 64 Ų | 64 | 55.6 Ų | 55.6 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 147.8 | 172.1 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | C603 Y605 | C603-S609 CarbonylContact O-C 3.45Å; C603-S609 WeakPolarHBondContact O-CA 3.35Å; C603-S609 WeakPolarHBondContact O-CB 3.17Å; C603-S609 PolarHBondContact O-OG 2.88Å; Y605-S609 PolarHBondContact OH-N 3.01Å |
| 610 | T | 88.5 | Confident | 83.8 | Confident | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.043 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 157.5 | 170.3 | 179 | 0 | 0 | 0 | 0 | 109.8 | S542 M543 C558 A602 C603 Y605 | S542-T610 WeakPolarHBondContact CA-OG1 3.36Å; S542-T610 PolarHBondContact OG-OG1 3.28Å; S542-T610 VanDerWaalsContact OG-OG1 3.07Å; M543-T610 HydrophobicContact CB-CG2 4.27Å; M543-T610 HydrophobicContact CG-CG2 3.52Å; M543-T610 PolarHBondContact N-OG1 2.75Å; M543-T610 HydrophobicContact SD-CG2 3.75Å; C558-T610 VanDerWaalsContact O-CG2 3.27Å; C558-T610 WeakPolarHBondContact O-CG2 3.47Å; A602-T610 CarbonylContact C-O 3.51Å; A602-T610 VanDerWaalsContact CA-O 3.27Å; A602-T610 WeakPolarHBondContact CA-O 3.49Å; C603-T610 HydrophobicContact CB-CG2 4.23Å; C603-T610 PolarHBondContact N-O 3.04Å; C603-T610 PolarHBondContact O-N 2.7Å; Y605-T610 HydrophobicContact CE1-CG2 4.26Å |
| 611 | S | 90 | Very high | 81.6 | Confident | 60 Ų | 60 | 66 Ų | 66 | 42% | 0.42 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 150.9 | -176 | 61 | 0 | 0 | 0 | 0 | 112.9 | Y601 | Y601-S611 CarbonylContact O-C 3.48Å; Y601-S611 WeakPolarHBondContact O-CA 3.17Å; Y601-S611 WeakPolarHBondContact O-CB 3.33Å |
| 612 | A | 90.9 | Very high | 79.2 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 2% | 0.017 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 155.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | M543 S544 Y601 | M543-A612 HydrophobicContact CB-CB 3.69Å; M543-A612 HydrophobicContact CE-CB 3.67Å; S544-A612 VanDerWaalsContact C-CB 3.4Å; S544-A612 WeakPolarHBondContact O-CB 3.05Å; Y601-A612 PolarHBondContact N-O 3.05Å; Y601-A612 PolarHBondContact O-N 2.66Å |
| 613 | R | 91.2 | Very high | 76.5 | Confident | 129 Ų | 129 | 75.9 Ų | 75.9 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 127.2 | 175.4 | -170.7 | -179.2 | -64.8 | -95.5 | -1.7 | 110.2 | D545 K546 G599 V615 | D545-R613 WeakPolarHBondContact CA-O 3.31Å; D545-R613 HydrophobicContact CB-CB 4.47Å; D545-R613 WeakPolarHBondContact OD1-CB 3.48Å; D545-R613 PolarHBondContact OD1-N 3.31Å; K546-R613 PolarHBondContact N-O 3.14Å; G599-R613 WeakPolarHBondContact O-CA 3.39Å; R613-V615 HydrophobicContact CG-CG2 4.05Å |
| 614 | L | 90.8 | Very high | 74 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.7 | 164.7 | -177.4 | 62.1 | 0 | 0 | 0 | 108.9 | K546 V548 A554 I590 D597 Q598 G599 Y601 V616 | K546-L614 HydrophobicContact CB-CD1 3.98Å; K546-L614 HydrophobicContact CG-CD1 4.29Å; K546-L614 CarbonylContact O-C 3.26Å; K546-L614 WeakPolarHBondContact O-CA 3.26Å; V548-L614 HydrophobicContact CG1-CD1 4.36Å; V548-L614 HydrophobicContact CG2-CD1 4.03Å; A554-L614 HydrophobicContact CB-CD1 3.64Å; A554-L614 HydrophobicContact CB-CD2 3.78Å; A554-L614 HydrophobicContact CB-CG 4.39Å; I590-L614 HydrophobicContact CD1-CD2 3.56Å; D597-L614 HydrophobicContact CB-CD2 4.24Å; Q598-L614 WeakPolarHBondContact CG-O 3.49Å; G599-L614 PolarHBondContact N-O 3.08Å; G599-L614 PolarHBondContact O-N 2.84Å; Y601-L614 HydrophobicContact CD2-CB 3.84Å; Y601-L614 HydrophobicContact CE2-CB 3.65Å; Y601-L614 HydrophobicContact CE2-CD2 3.77Å; Y601-L614 HydrophobicContact CE2-CG 4.37Å; L614-V616 HydrophobicContact CG-CG2 4.37Å |
| 615 | V | 91.6 | Very high | 71.4 | Confident | 41 Ų | 41 | 83.2 Ų | 83.2 | 25% | 0.248 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.9 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | K546 T547 V548 R613 | K546-V615 PolarHBondContact O-N 2.68Å; T547-V615 CarbonylContact C-O 3.48Å; T547-V615 VanDerWaalsContact CA-O 3.26Å; T547-V615 WeakPolarHBondContact CA-O 3.47Å; T547-V615 HydrophobicContact CG2-CB 4.15Å; T547-V615 HydrophobicContact CG2-CG1 4.24Å; V548-V615 PolarHBondContact N-O 2.96Å; R613-V615 HydrophobicContact CG-CG2 4.05Å |
| 616 | V | 89.6 | Confident | 68.8 | Low | 12 Ų | 12 | 91.6 Ų | 91.6 | 7% | 0.073 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.7 | 175.8 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | V548 A593 N594 L614 | V548-V616 HydrophobicContact CG2-CG1 4.48Å; V548-V616 HydrophobicContact CG2-CG2 3.97Å; V548-V616 CarbonylContact O-C 3.15Å; V548-V616 VanDerWaalsContact O-CA 3.3Å; V548-V616 WeakPolarHBondContact O-CA 3.34Å; A593-V616 HydrophobicContact CB-CG2 4.25Å; N594-V616 WeakPolarHBondContact O-CG2 3.06Å; L614-V616 HydrophobicContact CG-CG2 4.37Å |
| 617 | R | 87 | Confident | 66.6 | Low | 162 Ų | 162 | 91.5 Ų | 91.5 | 61% | 0.611 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 131 | 178.3 | -69.1 | -176 | 176.5 | 154 | 3.4 | 110.2 | T547 V548 S549 S550 | T547-R617 HydrophobicContact CG2-CG 3.88Å; V548-R617 PolarHBondContact O-N 3.39Å; S549-R617 CarbonylContact C-O 3.51Å; S549-R617 WeakPolarHBondContact CA-O 3.33Å; S550-R617 PolarHBondContact N-O 3.01Å |
| 618 | D | 73.8 | Confident | 64.4 | Low | 96 Ų | 96 | 95.9 Ų | 95.9 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | trans | -69.7 | 138.6 | 174.1 | -73.2 | -32 | 0 | 0 | 0 | 111 | Q620 D621 | D618-Q620 PolarHBondContact O-N 2.89Å; D618-D621 PolarHBondContact O-N 3Å | ||
| 619 | S | 58.5 | Low | 61.8 | Low | 96 Ų | 96 | 98.5 Ų | 98.5 | 67% | 0.671 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -9.1 | -177.4 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 620 | Q | 48.3 | Very low | 59.3 | Low | 166 Ų | 166 | 100.7 Ų | 100.7 | 78% | 0.776 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -14.3 | -179.1 | -62.7 | -156.4 | -6.7 | 0 | 0 | 114.8 | D618 A622 | D618-Q620 PolarHBondContact O-N 2.89Å; Q620-A622 VanDerWaalsContact C-N 3.3Å; Q620-A622 PolarHBondContact O-N 3.19Å |
| 621 | D | 45.7 | Very low | 56.4 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -2.7 | -176.8 | -81.9 | -25.1 | 0 | 0 | 0 | 115 | D618 N623 | D618-D621 PolarHBondContact O-N 3Å; D621-N623 VanDerWaalsContact C-N 3.33Å |
| 622 | A | 42.4 | Very low | 53.3 | Low | 85 Ų | 85 | 112 Ų | 112 | 70% | 0.702 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -18.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q620 | Q620-A622 VanDerWaalsContact C-N 3.3Å; Q620-A622 PolarHBondContact O-N 3.19Å |
| 623 | N | 35.8 | Very low | 50.3 | Low | 146 Ų | 146 | 118.6 Ų | 118.6 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -94.8 | -9.7 | -177.8 | -118.3 | 12.5 | 0 | 0 | 0 | 114.7 | D621 | D621-N623 VanDerWaalsContact C-N 3.33Š|
| 624 | S | 35.9 | Very low | 47.3 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 63% | 0.629 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -91.1 | -11.8 | -178.5 | -57.6 | 0 | 0 | 0 | 0 | 113.9 | ||
| 625 | K | 33.7 | Very low | 44.2 | Very low | 196 Ų | 196 | 124.6 Ų | 124.6 | 85% | 0.852 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -91.6 | 9 | 179 | -80.9 | -174.8 | 177.3 | 177.2 | 0 | 115.7 | ||
| 626 | K | 32.3 | Very low | 41.2 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -101.4 | 7.5 | 173.8 | -87.7 | -173.7 | 177.9 | 178.6 | 0 | 115.5 | ||
| 627 | K | 31 | Very low | 38.2 | Very low | 203 Ų | 203 | 134.2 Ų | 134.2 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -131.1 | 66.5 | 172.1 | -75.1 | -172.7 | 177.2 | -179.2 | 0 | 111.9 | ||
| 628 | S | 28.6 | Very low | 35.6 | Very low | 125 Ų | 125 | 132 Ų | 132 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -156.6 | 88.5 | 156.4 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 629 | G | 27.1 | Very low | 33.2 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -177.4 | 68.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 630 | S | 32.9 | Very low | 31.8 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -159.3 | 101.1 | 154.1 | -157.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 631 | T | 27.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 35.1 | 121.1 | 132.3 | 21 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 632 | K | 25.8 | Very low | 30.2 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | 56.8 | 121.5 | 124 | -74.7 | -178 | 176.1 | -179.3 | 0 | 121.3 | |||||
| 633 | N | 27.3 | Very low | 29.6 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | 126.5 | 124.9 | 119.6 | -102.1 | 15.6 | 0 | 0 | 0 | 118.4 | |||||
| 634 | T | 27.7 | Very low | 29.4 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 68% | 0.681 | 78% | 0.777 | S | S | * | * | trans | 70.3 | 114.7 | 141.8 | 54.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 635 | N | 26.2 | Very low | 28.9 | Very low | 144 Ų | 144 | 141.2 Ų | 141.2 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 36.2 | 112.4 | 130.8 | -57.5 | -5.7 | 0 | 0 | 0 | 120.1 | ||||
| 636 | D | 29.2 | Very low | 28.7 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | 169.3 | 146 | 105.7 | -88.5 | -28.5 | 0 | 0 | 0 | 110.3 | |||||
| 637 | A | 26.6 | Very low | 28.5 | Very low | 91 Ų | 91 | 139 Ų | 139 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -83.8 | -179.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 638 | P | 31.7 | Very low | 28.5 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -138.5 | 159.7 | -2.4 | 37.8 | -17.4 | 0 | 0 | 0 | 117.1 | ||||
| 639 | V | 23.3 | Very low | 28.7 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | 56.6 | 118.8 | 131.1 | -178.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 640 | S | 28.6 | Very low | 29 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 87.7 | 164.5 | 143 | -133.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 641 | P | 35.6 | Very low | 29.2 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | -133.1 | 178.6 | -74.6 | 41.6 | -26.3 | 0 | 0 | 0 | 114.5 | |||||
| 642 | N | 25.4 | Very low | 29.9 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 93.4 | 127.6 | 151.5 | -71.1 | -27.3 | 0 | 0 | 0 | 122.3 | ||||
| 643 | R | 29.5 | Very low | 30.9 | Very low | 238 Ų | 238 | 150.2 Ų | 150.2 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 96.6 | 153.6 | 142.8 | -98.8 | -170 | -166 | -157.6 | 3.5 | 120.2 | ||||
| 644 | P | 32.7 | Very low | 32 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | -128.5 | 168.2 | -108.5 | 39.3 | -21.5 | 0 | 0 | 0 | 116.5 | |||||
| 645 | N | 23.6 | Very low | 33.4 | Very low | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | 29.5 | 102 | 148.6 | -72.4 | -19.8 | 0 | 0 | 0 | 119.5 | ||||
| 646 | I | 30.2 | Very low | 35.1 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | -122.9 | 112 | 157.6 | -65.4 | 177.5 | 0 | 0 | 0 | 110.2 | ||||
| 647 | Q | 27.3 | Very low | 37 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | 31.6 | 117 | 143.2 | -64.1 | -180 | -10 | 0 | 0 | 120.3 | T649 | Q647-T649 PolarHBondContact O-N 3.09Š| ||
| 648 | R | 31.4 | Very low | 39.2 | Very low | 252 Ų | 252 | 135.7 Ų | 135.7 | 95% | 0.951 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 120.6 | 164.6 | -71.2 | 176.2 | 174.5 | -179.4 | -2.5 | 110.8 | K650 | R648-K650 PolarHBondContact O-N 3.21Š|
| 649 | T | 33.1 | Very low | 41.3 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 122.1 | 166.9 | 37.8 | 0 | 0 | 0 | 0 | 110.3 | Q647 F651 | Q647-T649 PolarHBondContact O-N 3.09Å; T649-F651 PolarHBondContact O-N 3.01Å |
| 650 | K | 33.1 | Very low | 44 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 117.1 | 165.2 | -83.6 | 174.4 | 172 | 175.5 | 0 | 108 | R648 | R648-K650 PolarHBondContact O-N 3.21Š|
| 651 | F | 38.6 | Very low | 46.4 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 88% | 0.877 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -77 | 127.7 | 165.3 | -106.9 | -98.2 | 0 | 0 | 0 | 108.8 | T649 L653 | T649-F651 PolarHBondContact O-N 3.01Å; F651-L653 PolarHBondContact O-N 3.46Å |
| 652 | D | 41.2 | Very low | 48.6 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -62.5 | 109.5 | -171 | -79.3 | -48.3 | 0 | 0 | 0 | 113.9 | V654 | D652-V654 PolarHBondContact O-N 3.17Š| ||
| 653 | L | 46.5 | Very low | 51.5 | Low | 140 Ų | 140 | 130.1 Ų | 130.1 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -12.1 | 173.6 | -167.3 | 65.7 | 0 | 0 | 0 | 112.9 | F651 T657 | F651-L653 PolarHBondContact O-N 3.46Å; L653-T657 PolarHBondContact O-OG1 3.17Å |
| 654 | V | 51.4 | Low | 54.1 | Low | 112 Ų | 112 | 123 Ų | 123 | 68% | 0.679 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.4 | -30.9 | -172.2 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | D652 T657 | D652-V654 PolarHBondContact O-N 3.17Å; V654-T657 PolarHBondContact O-OG1 3.16Å |
| 655 | G | 57.1 | Low | 56.6 | Low | 53 Ų | 53 | 122 Ų | 122 | 55% | 0.546 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -71.2 | -36.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L659 | G655-L659 PolarHBondContact O-N 2.89Å |
| 656 | A | 60.8 | Low | 59.5 | Low | 64 Ų | 64 | 119.1 Ų | 119.1 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.9 | -37.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V660 | A656-V660 WeakPolarHBondContact O-CG2 3.42Å; A656-V660 PolarHBondContact O-N 2.98Å |
| 657 | T | 69.5 | Low | 62 | Low | 81 Ų | 81 | 115 Ų | 115 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.8 | -35.8 | 177.9 | 43.3 | 0 | 0 | 0 | 0 | 112.5 | L653 V654 L661 | L653-T657 PolarHBondContact O-OG1 3.17Å; V654-T657 PolarHBondContact O-OG1 3.16Å; T657-L661 PolarHBondContact O-N 3.26Å |
| 658 | G | 73.4 | Confident | 64.8 | Low | 36 Ų | 36 | 111 Ų | 111 | 37% | 0.371 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.6 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L661 V662 | G658-L661 PolarHBondContact O-N 3.45Å; G658-V662 WeakPolarHBondContact O-CG2 3.31Å; G658-V662 PolarHBondContact O-N 2.68Å; G658-V662 VanDerWaalsContact O-N 3.16Å |
| 659 | L | 74.7 | Confident | 67.3 | Low | 125 Ų | 125 | 103.4 Ų | 103.4 | 65% | 0.654 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.5 | -38.2 | -177.5 | -133.7 | 155.2 | 0 | 0 | 0 | 112.3 | G655 V662 V663 | G655-L659 PolarHBondContact O-N 2.89Å; L659-V662 PolarHBondContact O-N 3.21Å; L659-V663 WeakPolarHBondContact O-CG2 2.99Å; L659-V663 PolarHBondContact O-N 2.8Å |
| 660 | V | 80 | Confident | 69.6 | Low | 89 Ų | 89 | 101.5 Ų | 101.5 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.5 | -41.1 | 176.3 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | A656 V663 I664 | A656-V660 WeakPolarHBondContact O-CG2 3.42Å; A656-V660 PolarHBondContact O-N 2.98Å; V660-V663 PolarHBondContact O-N 2.63Å; V660-I664 HydrophobicContact CG1-CD1 3.95Å; V660-I664 WeakPolarHBondContact O-CG1 2.97Å; V660-I664 PolarHBondContact O-N 2.98Å; V660-I664 VanDerWaalsContact O-N 3.13Å |
| 661 | L | 80 | Confident | 71.9 | Confident | 112 Ų | 112 | 95.8 Ų | 95.8 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.6 | -40.1 | 178.1 | -77.6 | 167.7 | 0 | 0 | 0 | 112.2 | T657 G658 V663 I664 V665 | T657-L661 PolarHBondContact O-N 3.26Å; G658-L661 PolarHBondContact O-N 3.45Å; L661-V663 PolarHBondContact O-N 2.88Å; L661-I664 PolarHBondContact O-N 3Å; L661-V665 VanDerWaalsContact O-CG2 3.32Å; L661-V665 WeakPolarHBondContact O-CG2 3.11Å; L661-V665 PolarHBondContact O-N 2.85Å |
| 662 | V | 82.4 | Confident | 73.7 | Confident | 88 Ų | 88 | 89 Ų | 89 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | G658 L659 V665 L666 | G658-V662 WeakPolarHBondContact O-CG2 3.31Å; G658-V662 PolarHBondContact O-N 2.68Å; G658-V662 VanDerWaalsContact O-N 3.16Å; L659-V662 PolarHBondContact O-N 3.21Å; V662-V665 PolarHBondContact O-N 3.19Å; V662-L666 HydrophobicContact CG1-CD1 3.95Å; V662-L666 WeakPolarHBondContact O-CG 3.46Å; V662-L666 PolarHBondContact O-N 3.43Å |
| 663 | V | 84.3 | Confident | 75.3 | Confident | 77 Ų | 77 | 85.1 Ų | 85.1 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 178 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | L659 V660 L661 L666 C667 | L659-V663 WeakPolarHBondContact O-CG2 2.99Å; L659-V663 PolarHBondContact O-N 2.8Å; V660-V663 PolarHBondContact O-N 2.63Å; L661-V663 PolarHBondContact O-N 2.88Å; V663-L666 PolarHBondContact O-N 2.79Å; V663-C667 PolarHBondContact O-N 2.8Å; V663-C667 PolarHBondContact O-SG 3.08Å |
| 664 | I | 85.5 | Confident | 76.8 | Confident | 88 Ų | 88 | 82.5 Ų | 82.5 | 45% | 0.451 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 178.1 | -67.4 | 169.4 | 0 | 0 | 0 | 110.8 | V660 L661 L666 C667 I668 | V660-I664 HydrophobicContact CG1-CD1 3.95Å; V660-I664 WeakPolarHBondContact O-CG1 2.97Å; V660-I664 PolarHBondContact O-N 2.98Å; V660-I664 VanDerWaalsContact O-N 3.13Å; L661-I664 PolarHBondContact O-N 3Å; I664-L666 PolarHBondContact O-N 2.55Å; I664-C667 PolarHBondContact O-N 3.18Å; I664-I668 HydrophobicContact CG2-CD1 3.9Å; I664-I668 WeakPolarHBondContact O-CG1 3.5Å; I664-I668 PolarHBondContact O-N 2.95Å |
| 665 | V | 85.4 | Confident | 77.7 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 47% | 0.473 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L661 V662 C667 I668 I669 | L661-V665 VanDerWaalsContact O-CG2 3.32Å; L661-V665 WeakPolarHBondContact O-CG2 3.11Å; L661-V665 PolarHBondContact O-N 2.85Å; V662-V665 PolarHBondContact O-N 3.19Å; V665-C667 PolarHBondContact O-N 2.84Å; V665-I668 PolarHBondContact O-N 3.42Å; V665-I669 HydrophobicContact CG1-CD1 3.72Å; V665-I669 HydrophobicContact CG1-CG1 4.39Å; V665-I669 VanDerWaalsContact O-CG1 3.3Å; V665-I669 WeakPolarHBondContact O-CG1 3.34Å; V665-I669 PolarHBondContact O-N 3.11Å |
| 666 | L | 84.7 | Confident | 78.5 | Confident | 101 Ų | 101 | 83.3 Ų | 83.3 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 176.2 | -73.5 | 170.1 | 0 | 0 | 0 | 112.7 | V662 V663 I664 T670 | V662-L666 HydrophobicContact CG1-CD1 3.95Å; V662-L666 WeakPolarHBondContact O-CG 3.46Å; V662-L666 PolarHBondContact O-N 3.43Å; V663-L666 PolarHBondContact O-N 2.79Å; I664-L666 PolarHBondContact O-N 2.55Å; L666-T670 VanDerWaalsContact O-CG2 3.32Å; L666-T670 WeakPolarHBondContact O-CG2 3.48Å; L666-T670 PolarHBondContact O-N 2.73Å; L666-T670 PolarHBondContact O-OG1 2.98Å |
| 667 | C | 82.3 | Confident | 79.1 | Confident | 72 Ų | 72 | 84 Ų | 84 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 174.3 | -75 | 0 | 0 | 0 | 0 | 112.7 | V663 I664 V665 T670 T671 | V663-C667 PolarHBondContact O-N 2.8Å; V663-C667 PolarHBondContact O-SG 3.08Å; I664-C667 PolarHBondContact O-N 3.18Å; V665-C667 PolarHBondContact O-N 2.84Å; C667-T670 WeakPolarHBondContact CA-OG1 3.09Å; C667-T670 PolarHBondContact O-OG1 2.81Å; C667-T670 VanDerWaalsContact O-OG1 3.05Å; C667-T671 WeakPolarHBondContact O-CB 3.45Å; C667-T671 VanDerWaalsContact O-CG2 3.32Å; C667-T671 WeakPolarHBondContact O-CG2 3.22Å; C667-T671 PolarHBondContact O-N 3.16Å; C667-T671 VanDerWaalsContact O-N 3.09Å; C667-T671 PolarHBondContact O-OG1 2.81Å |
| 668 | I | 85 | Confident | 79.2 | Confident | 97 Ų | 97 | 84.8 Ų | 84.8 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.7 | -40.8 | 178.1 | -65.8 | 167.5 | 0 | 0 | 0 | 110.7 | I664 V665 T671 S672 | I664-I668 HydrophobicContact CG2-CD1 3.9Å; I664-I668 WeakPolarHBondContact O-CG1 3.5Å; I664-I668 PolarHBondContact O-N 2.95Å; V665-I668 PolarHBondContact O-N 3.42Å; I668-T671 WeakPolarHBondContact CA-OG1 3.19Å; I668-T671 PolarHBondContact O-OG1 3.44Å; I668-T671 VanDerWaalsContact O-OG1 3.07Å; I668-S672 VanDerWaalsContact O-CB 3.29Å; I668-S672 WeakPolarHBondContact O-CB 3.45Å; I668-S672 PolarHBondContact O-N 3.49Å; I668-S672 PolarHBondContact O-OG 3.18Å |
| 669 | I | 84.1 | Confident | 79.2 | Confident | 94 Ų | 94 | 87.1 Ų | 87.1 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 178.2 | -67.2 | 168.4 | 0 | 0 | 0 | 110.3 | V665 S672 S673 | V665-I669 HydrophobicContact CG1-CD1 3.72Å; V665-I669 HydrophobicContact CG1-CG1 4.39Å; V665-I669 VanDerWaalsContact O-CG1 3.3Å; V665-I669 WeakPolarHBondContact O-CG1 3.34Å; V665-I669 PolarHBondContact O-N 3.11Å; I669-S672 PolarHBondContact O-N 3.14Å; I669-S673 WeakPolarHBondContact O-CB 3.33Å; I669-S673 PolarHBondContact O-N 3.35Å; I669-S673 PolarHBondContact O-OG 3.02Å |
| 670 | T | 81.9 | Confident | 79 | Confident | 80 Ų | 80 | 87.2 Ų | 87.2 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | -179.2 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | L666 C667 S672 S673 V674 | L666-T670 VanDerWaalsContact O-CG2 3.32Å; L666-T670 WeakPolarHBondContact O-CG2 3.48Å; L666-T670 PolarHBondContact O-N 2.73Å; L666-T670 PolarHBondContact O-OG1 2.98Å; C667-T670 WeakPolarHBondContact CA-OG1 3.09Å; C667-T670 PolarHBondContact O-OG1 2.81Å; C667-T670 VanDerWaalsContact O-OG1 3.05Å; T670-S672 PolarHBondContact O-N 2.95Å; T670-S673 PolarHBondContact O-N 2.02Å; T670-V674 VanDerWaalsContact O-CG2 3.31Å; T670-V674 WeakPolarHBondContact O-CG2 3.48Å; T670-V674 PolarHBondContact O-N 3.07Å |
| 671 | T | 80.4 | Confident | 77.9 | Confident | 83 Ų | 83 | 90.5 Ų | 90.5 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 177.5 | 50.5 | 0 | 0 | 0 | 0 | 113 | C667 I668 S675 | C667-T671 WeakPolarHBondContact O-CB 3.45Å; C667-T671 VanDerWaalsContact O-CG2 3.32Å; C667-T671 WeakPolarHBondContact O-CG2 3.22Å; C667-T671 PolarHBondContact O-N 3.16Å; C667-T671 VanDerWaalsContact O-N 3.09Å; C667-T671 PolarHBondContact O-OG1 2.81Å; I668-T671 WeakPolarHBondContact CA-OG1 3.19Å; I668-T671 PolarHBondContact O-OG1 3.44Å; I668-T671 VanDerWaalsContact O-OG1 3.07Å; T671-S675 WeakPolarHBondContact O-CB 3.36Å; T671-S675 PolarHBondContact O-N 3.23Å; T671-S675 PolarHBondContact O-OG 3.26Å |
| 672 | S | 78.1 | Confident | 77 | Confident | 57 Ų | 57 | 87.8 Ų | 87.8 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 175.4 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | I668 I669 T670 S675 L676 | I668-S672 VanDerWaalsContact O-CB 3.29Å; I668-S672 WeakPolarHBondContact O-CB 3.45Å; I668-S672 PolarHBondContact O-N 3.49Å; I668-S672 PolarHBondContact O-OG 3.18Å; I669-S672 PolarHBondContact O-N 3.14Å; T670-S672 PolarHBondContact O-N 2.95Å; S672-S675 PolarHBondContact O-N 3.27Å; S672-L676 WeakPolarHBondContact O-CB 3.33Å; S672-L676 PolarHBondContact O-N 3.3Å |
| 673 | S | 74.3 | Confident | 76 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 43% | 0.427 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -45 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | I669 T670 S675 L676 C677 | I669-S673 WeakPolarHBondContact O-CB 3.33Å; I669-S673 PolarHBondContact O-N 3.35Å; I669-S673 PolarHBondContact O-OG 3.02Å; T670-S673 PolarHBondContact O-N 2.02Å; S673-S675 VanDerWaalsContact C-N 3.35Å; S673-S675 PolarHBondContact O-N 3.5Å; S673-L676 PolarHBondContact O-N 3.44Å; S673-C677 WeakPolarHBondContact O-CB 3.09Å; S673-C677 PolarHBondContact O-N 2.78Å |
| 674 | V | 77.3 | Confident | 75 | Confident | 85 Ų | 85 | 100.6 Ų | 100.6 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | T670 L676 C677 I678 | T670-V674 VanDerWaalsContact O-CG2 3.31Å; T670-V674 WeakPolarHBondContact O-CG2 3.48Å; T670-V674 PolarHBondContact O-N 3.07Å; V674-L676 PolarHBondContact O-N 3.16Å; V674-C677 PolarHBondContact O-N 2.98Å; V674-I678 HydrophobicContact CG1-CD1 3.82Å; V674-I678 HydrophobicContact CG1-CG1 4.48Å; V674-I678 VanDerWaalsContact O-CG1 3.28Å; V674-I678 WeakPolarHBondContact O-CG1 2.91Å; V674-I678 PolarHBondContact O-N 3.37Å |
| 675 | S | 70.7 | Confident | 73.7 | Confident | 68 Ų | 68 | 101.5 Ų | 101.5 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | T671 S672 S673 I678 V679 | T671-S675 WeakPolarHBondContact O-CB 3.36Å; T671-S675 PolarHBondContact O-N 3.23Å; T671-S675 PolarHBondContact O-OG 3.26Å; S672-S675 PolarHBondContact O-N 3.27Å; S673-S675 VanDerWaalsContact C-N 3.35Å; S673-S675 PolarHBondContact O-N 3.5Å; S675-I678 PolarHBondContact O-N 3.09Å; S675-V679 VanDerWaalsContact O-CG2 3.28Å; S675-V679 WeakPolarHBondContact O-CG2 3.27Å; S675-V679 PolarHBondContact O-N 3.12Å |
| 676 | L | 73.5 | Confident | 72.1 | Confident | 113 Ų | 113 | 102.1 Ų | 102.1 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 175.5 | -90.8 | 155.3 | 0 | 0 | 0 | 112.3 | S672 S673 V674 V679 Q680 | S672-L676 WeakPolarHBondContact O-CB 3.33Å; S672-L676 PolarHBondContact O-N 3.3Å; S673-L676 PolarHBondContact O-N 3.44Å; V674-L676 PolarHBondContact O-N 3.16Å; L676-V679 PolarHBondContact O-N 2.79Å; L676-Q680 WeakPolarHBondContact O-CB 3.43Å; L676-Q680 PolarHBondContact O-N 2.84Å |
| 677 | C | 73.6 | Confident | 70.6 | Confident | 79 Ų | 79 | 101.7 Ų | 101.7 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 175.4 | -81.3 | 0 | 0 | 0 | 0 | 112.1 | S673 V674 Q680 R681 | S673-C677 WeakPolarHBondContact O-CB 3.09Å; S673-C677 PolarHBondContact O-N 2.78Å; V674-C677 PolarHBondContact O-N 2.98Å; C677-Q680 PolarHBondContact O-N 3.49Å; C677-R681 VanDerWaalsContact O-CB 3.3Å; C677-R681 WeakPolarHBondContact O-CB 3.38Å; C677-R681 PolarHBondContact O-N 2.8Å |
| 678 | I | 71.6 | Confident | 68.8 | Low | 98 Ų | 98 | 101.5 Ų | 101.5 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.5 | -48.4 | 176.6 | -67.8 | 165.8 | 0 | 0 | 0 | 109.9 | V674 S675 Q680 R681 C682 | V674-I678 HydrophobicContact CG1-CD1 3.82Å; V674-I678 HydrophobicContact CG1-CG1 4.48Å; V674-I678 VanDerWaalsContact O-CG1 3.28Å; V674-I678 WeakPolarHBondContact O-CG1 2.91Å; V674-I678 PolarHBondContact O-N 3.37Å; S675-I678 PolarHBondContact O-N 3.09Å; I678-Q680 PolarHBondContact O-N 3.46Å; I678-R681 PolarHBondContact O-N 2.84Å; I678-C682 WeakPolarHBondContact O-CB 3.41Å; I678-C682 PolarHBondContact O-N 2.87Å; I678-C682 PolarHBondContact O-SG 2.79Å |
| 679 | V | 74.4 | Confident | 66.9 | Low | 84 Ų | 84 | 103.2 Ų | 103.2 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | -179.9 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | S675 L676 R683 | S675-V679 VanDerWaalsContact O-CG2 3.28Å; S675-V679 WeakPolarHBondContact O-CG2 3.27Å; S675-V679 PolarHBondContact O-N 3.12Å; L676-V679 PolarHBondContact O-N 2.79Å; V679-R683 WeakPolarHBondContact O-CB 3.28Å; V679-R683 PolarHBondContact O-N 2.83Å |
| 680 | Q | 68.7 | Low | 65 | Low | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.593 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65 | -38.1 | 176.9 | -91.9 | -178.3 | -32.1 | 0 | 0 | 112.5 | L676 C677 I678 R683 R684 | L676-Q680 WeakPolarHBondContact O-CB 3.43Å; L676-Q680 PolarHBondContact O-N 2.84Å; C677-Q680 PolarHBondContact O-N 3.49Å; I678-Q680 PolarHBondContact O-N 3.46Å; Q680-R683 PolarHBondContact O-N 2.02Å; Q680-R684 PolarHBondContact O-N 3.46Å |
| 681 | R | 56.7 | Low | 62.9 | Low | 159 Ų | 159 | 105.2 Ų | 105.2 | 60% | 0.6 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -73.2 | -41.7 | -179.9 | -149.5 | 170.3 | -175.3 | 164.1 | -1.7 | 111.3 | C677 I678 R683 R684 E685 | C677-R681 VanDerWaalsContact O-CB 3.3Å; C677-R681 WeakPolarHBondContact O-CB 3.38Å; C677-R681 PolarHBondContact O-N 2.8Å; I678-R681 PolarHBondContact O-N 2.84Å; R681-R683 VanDerWaalsContact C-N 3.27Å; R681-R683 PolarHBondContact O-N 3.01Å; R681-R684 PolarHBondContact O-N 2.67Å; R681-R684 VanDerWaalsContact O-N 3.13Å; R681-E685 PolarHBondContact O-N 3.36Å; R681-E685 VanDerWaalsContact O-N 3.14Å |
| 682 | C | 61.2 | Low | 60.9 | Low | 54 Ų | 54 | 109.3 Ų | 109.3 | 37% | 0.365 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.5 | -31 | 171.8 | -69.8 | 0 | 0 | 0 | 0 | 113 | I678 | I678-C682 WeakPolarHBondContact O-CB 3.41Å; I678-C682 PolarHBondContact O-N 2.87Å; I678-C682 PolarHBondContact O-SG 2.79Å |
| 683 | R | 61.3 | Low | 59 | Low | 215 Ų | 215 | 117.2 Ų | 117.2 | 81% | 0.811 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.1 | -31.5 | 173.4 | -88.4 | -173.1 | 169.1 | -173.1 | -2 | 113.6 | V679 Q680 R681 | V679-R683 WeakPolarHBondContact O-CB 3.28Å; V679-R683 PolarHBondContact O-N 2.83Å; Q680-R683 PolarHBondContact O-N 2.02Å; R681-R683 VanDerWaalsContact C-N 3.27Å; R681-R683 PolarHBondContact O-N 3.01Å |
| 684 | R | 64.7 | Low | 57.1 | Low | 219 Ų | 219 | 122.6 Ų | 122.6 | 83% | 0.826 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -80.5 | -30.5 | -179.9 | -77.9 | -174.7 | 174.7 | -177.5 | -0.9 | 112.9 | Q680 R681 | Q680-R684 PolarHBondContact O-N 3.46Å; R681-R684 PolarHBondContact O-N 2.67Å; R681-R684 VanDerWaalsContact O-N 3.13Å |
| 685 | E | 58.1 | Low | 55.4 | Low | 107 Ų | 107 | 124.1 Ų | 124.1 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | trans | -136.6 | 89.2 | -178.4 | -73 | 174.8 | -179.3 | 0 | 0 | 111.1 | R681 S687 L688 | R681-E685 PolarHBondContact O-N 3.36Å; R681-E685 VanDerWaalsContact O-N 3.14Å; E685-S687 PolarHBondContact O-N 3.07Å; E685-L688 HydrophobicContact CB-CD1 4.14Å; E685-L688 PolarHBondContact O-N 2.86Å | ||
| 686 | P | 51 | Low | 54.2 | Low | 91 Ų | 91 | 125.4 Ų | 125.4 | 59% | 0.591 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -64.9 | -20 | -179.9 | -19.8 | 31.5 | 0 | 0 | 0 | 113.9 | L688 L689 | P686-L688 PolarHBondContact O-N 3.35Å; P686-L689 PolarHBondContact O-N 3.37Å |
| 687 | S | 52.8 | Low | 52.8 | Low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -65 | -17.6 | -178.9 | 44.2 | 0 | 0 | 0 | 0 | 114 | E685 L689 | E685-S687 PolarHBondContact O-N 3.07Å; S687-L689 VanDerWaalsContact C-N 3.28Å; S687-L689 PolarHBondContact O-N 3.26Å |
| 688 | L | 45.5 | Very low | 51.4 | Low | 68 Ų | 68 | 129.7 Ų | 129.7 | 36% | 0.356 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -74.2 | -12 | 176.6 | -83.6 | 157.4 | 0 | 0 | 0 | 114.2 | E685 P686 V690 | E685-L688 HydrophobicContact CB-CD1 4.14Å; E685-L688 PolarHBondContact O-N 2.86Å; P686-L688 PolarHBondContact O-N 3.35Å; L688-V690 PolarHBondContact O-N 3.1Å |
| 689 | L | 45.3 | Very low | 50.2 | Low | 134 Ų | 134 | 129.8 Ų | 129.8 | 70% | 0.702 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -71.4 | -17.2 | 177.4 | -94.2 | 149.9 | 0 | 0 | 0 | 113.6 | P686 S687 | P686-L689 PolarHBondContact O-N 3.37Å; S687-L689 VanDerWaalsContact C-N 3.28Å; S687-L689 PolarHBondContact O-N 3.26Å |
| 690 | V | 44.1 | Very low | 48.9 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 80% | 0.8 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -93.6 | -16 | -174.4 | -176.6 | 0 | 0 | 0 | 0 | 113 | L688 | L688-V690 PolarHBondContact O-N 3.1Š|
| 691 | S | 37.3 | Very low | 47.8 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 58% | 0.58 | 64% | 0.642 | S | S | * | * | trans | -103.4 | 10.5 | -173.4 | 76.7 | 0 | 0 | 0 | 0 | 116.5 | R693 | S691-R693 PolarHBondContact O-N 2.76Š| ||
| 692 | F | 38.6 | Very low | 47.3 | Very low | 169 Ų | 169 | 123.7 Ų | 123.7 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | trans | -75 | 41.2 | 174.6 | -84.2 | -78.6 | 0 | 0 | 0 | 114.1 | ||||
| 693 | R | 38.2 | Very low | 46.8 | Very low | 224 Ų | 224 | 124.8 Ų | 124.8 | 85% | 0.845 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -134.7 | 58.7 | 172.6 | -74.1 | -166.2 | -178.7 | -172.3 | 4.1 | 111.5 | S691 | S691-R693 PolarHBondContact O-N 2.76Š|
| 694 | Q | 35.6 | Very low | 45.7 | Very low | 173 Ų | 173 | 117.9 Ų | 117.9 | 81% | 0.808 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -173.7 | 142.2 | 152.7 | -102.5 | 146.6 | 5.3 | 0 | 0 | 111.3 | ||
| 695 | D | 41.2 | Very low | 44.6 | Very low | 117 Ų | 117 | 111.8 Ų | 111.8 | 63% | 0.626 | 63% | 0.63 | S | S | * | * | trans | 27.7 | 132.2 | 173.8 | -96.9 | -45.7 | 0 | 0 | 0 | 124.3 | L697 E698 | D695-L697 VanDerWaalsContact C-N 3.26Å; D695-L697 PolarHBondContact O-N 3.06Å; D695-E698 PolarHBondContact O-N 3.28Å | ||
| 696 | P | 45.7 | Very low | 43.6 | Very low | 96 Ų | 96 | 113.4 Ų | 113.4 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -19.3 | 175.4 | -20 | 31.6 | 0 | 0 | 0 | 116.3 | E698 I699 | P696-E698 VanDerWaalsContact C-N 3.33Å; P696-E698 PolarHBondContact O-N 3.01Å; P696-I699 WeakPolarHBondContact O-CB 3.45Å; P696-I699 PolarHBondContact O-N 2.98Å |
| 697 | L | 43.9 | Very low | 43.2 | Very low | 148 Ų | 148 | 119.4 Ų | 119.4 | 78% | 0.775 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.9 | -24.2 | -177.8 | -94.3 | 132 | 0 | 0 | 0 | 113.2 | D695 I699 | D695-L697 VanDerWaalsContact C-N 3.26Å; D695-L697 PolarHBondContact O-N 3.06Å; L697-I699 VanDerWaalsContact C-N 3.32Å |
| 698 | E | 44.2 | Very low | 42.7 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.9 | -24.2 | 173.2 | -76.3 | -171.1 | 157.6 | 0 | 0 | 112.5 | D695 P696 A700 A701 V702 | D695-E698 PolarHBondContact O-N 3.28Å; P696-E698 VanDerWaalsContact C-N 3.33Å; P696-E698 PolarHBondContact O-N 3.01Å; E698-A700 VanDerWaalsContact C-N 3.28Å; E698-A700 PolarHBondContact O-N 3.01Å; E698-A701 PolarHBondContact O-N 2.75Å; E698-V702 PolarHBondContact O-N 3.15Å |
| 699 | I | 46.4 | Very low | 42.5 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 51% | 0.508 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -65 | -34.3 | 179.8 | -57.3 | 177.5 | 0 | 0 | 0 | 111 | P696 L697 T703 | P696-I699 WeakPolarHBondContact O-CB 3.45Å; P696-I699 PolarHBondContact O-N 2.98Å; L697-I699 VanDerWaalsContact C-N 3.32Å; I699-T703 WeakPolarHBondContact O-CG2 3.36Å; I699-T703 PolarHBondContact O-N 3.46Å; I699-T703 PolarHBondContact O-OG1 3.38Å |
| 700 | A | 47 | Very low | 42.4 | Very low | 54 Ų | 54 | 123 Ų | 123 | 45% | 0.446 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -72.8 | -34.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E698 | E698-A700 VanDerWaalsContact C-N 3.28Å; E698-A700 PolarHBondContact O-N 3.01Å |
| 701 | A | 44.2 | Very low | 42.3 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 70% | 0.702 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.6 | -33.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E698 | E698-A701 PolarHBondContact O-N 2.75Å |
| 702 | V | 47.1 | Very low | 42.6 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 63% | 0.63 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -85.8 | -28.7 | -176.4 | 179.5 | 0 | 0 | 0 | 0 | 112.9 | E698 | E698-V702 PolarHBondContact O-N 3.15Å |
| 703 | T | 51.4 | Low | 42.9 | Very low | 77 Ų | 77 | 122 Ų | 122 | 47% | 0.472 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -87.6 | -14.8 | -173.5 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | I699 V705 | I699-T703 WeakPolarHBondContact O-CG2 3.36Å; I699-T703 PolarHBondContact O-N 3.46Å; I699-T703 PolarHBondContact O-OG1 3.38Å; T703-V705 PolarHBondContact O-N 3.3Å |
| 704 | G | 36.6 | Very low | 43.2 | Very low | 69 Ų | 69 | 114.7 Ų | 114.7 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | trans | 59.8 | 9.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T706 | G704-T706 PolarHBondContact O-N 2.97Š| ||
| 705 | V | 43.6 | Very low | 43.8 | Very low | 91 Ų | 91 | 110.2 Ų | 110.2 | 55% | 0.552 | 67% | 0.666 | S | S | * | * | trans | -89.5 | 104.7 | 177.5 | 177 | 0 | 0 | 0 | 0 | 106.4 | T703 I707 | T703-V705 PolarHBondContact O-N 3.3Å; V705-I707 PolarHBondContact O-N 3.14Å | ||
| 706 | T | 36.9 | Very low | 44 | Very low | 141 Ų | 141 | 109.7 Ų | 109.7 | 87% | 0.865 | 67% | 0.669 | S | S | * | * | trans | -65.1 | 111.4 | 162.2 | -11.6 | 0 | 0 | 0 | 0 | 106.4 | G704 | G704-T706 PolarHBondContact O-N 2.97Š| ||
| 707 | I | 40.9 | Very low | 43.8 | Very low | 218 Ų | 218 | 110.9 Ų | 110.9 | 100% | 1.118 | 67% | 0.673 | S | S | * | * | trans | -67.7 | 0 | 175 | -64.9 | 176.7 | 0 | 0 | 0 | 109.7 | V705 | V705-I707 PolarHBondContact O-N 3.14Š|
Retrieved 707 of 707 residues in 428.1 ms
(Link to these results)