| 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 | 76 | Confident | 86.1 | Confident | 45 Ų | 45 | 50.5 Ų | 50.5 | 22% | 0.222 | 27% | 0.265 | C | S | . | . | 0 | 167.6 | 0 | -62.6 | -160.6 | -64.6 | 0 | 0 | 108.1 | K26 I27 M55 H58 Y61 Y172 | M1-K26 CarbonylContact O-C 3.47Å; M1-K26 WeakPolarHBondContact O-CA 3.3Å; M1-I27 PolarHBondContact N-O 2.94Å; M1-I27 PolarHBondContact O-N 2.83Å; M1-M55 HydrophobicContact CB-CE 3.9Å; M1-M55 HydrophobicContact CE-CE 3.73Å; M1-H58 WeakPolarHBondContact CE-CE1 3.43Å; M1-H58 WeakPolarHBondContact CE-NE2 3.45Å; M1-H58 HydrophobicContact SD-CB 4.28Å; M1-H58 PolarHBondContact SD-CD2 2.54Å; M1-H58 PolarHBondContact SD-CE1 3Å; M1-H58 PolarHBondContact SD-ND1 3.4Å; M1-H58 PolarHBondContact SD-NE2 2.81Å; M1-Y61 HydrophobicContact CE-CD1 4.34Å; M1-Y61 HydrophobicContact CG-CD1 4.04Å; M1-Y61 HydrophobicContact CG-CE1 4.19Å; M1-Y61 HydrophobicContact SD-CD1 3.21Å; M1-Y61 WeakPolarHBondContact SD-CD1 3.48Å; M1-Y61 HydrophobicContact SD-CE1 3.73Å; M1-Y61 HydrophobicContact SD-CG 4.09Å; M1-Y172 HydrophobicContact CE-CD1 4.29Å; M1-Y172 HydrophobicContact CE-CE1 4.26Å | |||
| 2 | E | 85.5 | Confident | 86.4 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 9% | 0.093 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 146.7 | 179.3 | -72.6 | -176.9 | 159.6 | 0 | 0 | 111.6 | L24 L25 R56 S135 N137 | E2-L24 HydrophobicContact CB-CD2 3.77Å; E2-L24 HydrophobicContact CG-CD2 3.98Å; E2-L24 WeakPolarHBondContact OE2-CD2 3.24Å; E2-L25 CarbonylContact C-O 3.48Å; E2-L25 WeakPolarHBondContact CA-O 3.32Å; E2-R56 WeakPolarHBondContact O-CB 3.45Å; E2-R56 PolarHBondContact O-N 2.73Å; E2-S135 WeakPolarHBondContact OE1-CB 3.2Å; E2-S135 PolarHBondContact OE1-OG 3.21Å; E2-N137 HydrophobicContact CG-CB 4.4Å; E2-N137 WeakPolarHBondContact OE2-CB 3.32Å; E2-N137 VanDerWaalsContact OE2-CG 3.28Å |
| 3 | A | 84.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | L25 I27 I53 T54 M55 | A3-L25 PolarHBondContact N-O 2.81Å; A3-L25 PolarHBondContact O-N 3.33Å; A3-I27 HydrophobicContact CB-CD1 3.86Å; A3-I27 HydrophobicContact CB-CG1 3.75Å; A3-I53 HydrophobicContact CB-CB 3.95Å; A3-I53 HydrophobicContact CB-CD1 3.75Å; A3-I53 HydrophobicContact CB-CG1 4.29Å; A3-T54 CarbonylContact C-O 3.52Å; A3-T54 VanDerWaalsContact CA-O 3.29Å; A3-T54 WeakPolarHBondContact CA-O 3.18Å; A3-M55 HydrophobicContact CB-SD 3.78Å |
| 4 | E | 85.1 | Confident | 87.2 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.8 | 175.7 | -172.2 | 168.8 | 145.5 | 0 | 0 | 110.3 | S6 I53 T54 R56 | E4-S6 PolarHBondContact O-N 2.9Å; E4-I53 CarbonylContact O-C 3.54Å; E4-I53 VanDerWaalsContact O-CA 3.31Å; E4-I53 WeakPolarHBondContact O-CA 3.4Å; E4-T54 PolarHBondContact N-O 2.82Å; E4-T54 PolarHBondContact O-N 3.46Å; E4-R56 IonicContact OE2-CZ 3.53Å; E4-R56 IonicContact OE2-NE 3.29Å; E4-R56 IonicContact OE2-NH2 3.79Å; E4-R56 PolarHBondContact OE2-NH2 3.25Å |
| 5 | A | 87 | Confident | 87.6 | Confident | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.017 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 117.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F19 K20 G22 S23 L25 Y52 | A5-F19 HydrophobicContact CB-CD2 3.47Å; A5-F19 VanDerWaalsContact CB-CD2 3.47Å; A5-F19 HydrophobicContact CB-CE2 3.74Å; A5-F19 HydrophobicContact CB-CG 4.47Å; A5-K20 VanDerWaalsContact CB-O 3.28Å; A5-K20 WeakPolarHBondContact CB-O 3.18Å; A5-G22 PolarHBondContact O-N 2.81Å; A5-S23 PolarHBondContact N-O 2.79Å; A5-L25 HydrophobicContact CB-CD1 4.26Å; A5-Y52 CarbonylContact C-O 3.43Å |
| 6 | S | 79.4 | Confident | 88 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 22% | 0.217 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -82.5 | -24 | 178.3 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | E4 K21 Y52 T54 | E4-S6 PolarHBondContact O-N 2.9Å; S6-K21 WeakPolarHBondContact O-CD 3.36Å; S6-K21 WeakPolarHBondContact O-CE 3.47Å; S6-K21 WeakPolarHBondContact O-CG 3.09Å; S6-Y52 PolarHBondContact N-O 3.42Å; S6-T54 PolarHBondContact OG-OG1 3.4Å |
| 7 | Y | 80.2 | Confident | 88.4 | Confident | 137 Ų | 137 | 64.1 Ų | 64.1 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -139.7 | 165.5 | 178.8 | -49.6 | -78.3 | 0 | 0 | 0 | 111.3 | F19 Y52 | Y7-F19 WeakPolarHBondContact O-CE2 3.31Å; Y7-Y52 HydrophobicContact CD2-CD1 4.38Å; Y7-Y52 HydrophobicContact CD2-CG 4.38Å |
| 8 | D | 90.3 | Very high | 88.7 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 42% | 0.422 | 34% | 0.336 | S | S | . | . | trans | -71.3 | 139 | 166.8 | -80.4 | 18.7 | 0 | 0 | 0 | 109.4 | K20 K21 Y52 | D8-K20 VanDerWaalsContact OD2-CD 3.28Å; D8-K20 WeakPolarHBondContact OD2-CD 3.35Å; D8-K20 IonicContact OD2-NZ 3.7Å; D8-K20 PolarHBondContact OD2-NZ 2.73Å; D8-K21 VanDerWaalsContact OD1-CB 3.25Å; D8-K21 WeakPolarHBondContact OD1-CB 3.3Å; D8-K21 PolarHBondContact OD1-N 2.8Å; D8-Y52 VanDerWaalsContact O-CE1 3.28Å; D8-Y52 WeakPolarHBondContact O-CE1 3.43Å | ||
| 9 | F | 90.7 | Very high | 89.1 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 9% | 0.088 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -129.5 | 126.2 | 173.5 | -179.3 | -114.9 | 0 | 0 | 0 | 110.2 | E16 L17 G18 F19 W36 P49 Y52 | F9-E16 HydrophobicContact CE1-CB 4.2Å; F9-E16 HydrophobicContact CZ-CB 4.49Å; F9-E16 HydrophobicContact CZ-CG 4.42Å; F9-E16 WeakPolarHBondContact CZ-OE2 3.47Å; F9-L17 WeakPolarHBondContact CD1-O 3.28Å; F9-G18 CarbonylContact O-C 3.54Å; F9-G18 WeakPolarHBondContact O-CA 3.49Å; F9-F19 HydrophobicContact CB-CD1 4.06Å; F9-F19 HydrophobicContact CB-CD2 3.96Å; F9-F19 HydrophobicContact CB-CE1 3.59Å; F9-F19 HydrophobicContact CB-CE2 3.53Å; F9-F19 HydrophobicContact CB-CG 4.22Å; F9-F19 HydrophobicContact CB-CZ 3.33Å; F9-F19 HydrophobicContact CD1-CD1 4.08Å; F9-F19 AromaticContact CD1-CE1 3.54Å; F9-F19 HydrophobicContact CD1-CE1 3.54Å; F9-F19 HydrophobicContact CD1-CZ 4.07Å; F9-F19 AromaticContact CG-CE1 3.88Å; F9-F19 HydrophobicContact CG-CE1 3.88Å; F9-F19 AromaticContact CG-CZ 3.92Å; F9-F19 HydrophobicContact CG-CZ 3.92Å; F9-F19 PolarHBondContact N-O 3.24Å; F9-F19 PolarHBondContact O-N 2.8Å; F9-F19 VanDerWaalsContact O-O 3.12Å; F9-W36 HydrophobicContact CE1-CZ3 4.28Å; F9-W36 HydrophobicContact CE2-CH2 4.31Å; F9-W36 AromaticContact CZ-CH2 3.77Å; F9-W36 HydrophobicContact CZ-CH2 3.77Å; F9-W36 AromaticContact CZ-CZ3 3.8Å; F9-W36 HydrophobicContact CZ-CZ3 3.8Å; F9-P49 HydrophobicContact CD1-CG 4.34Å; F9-P49 HydrophobicContact CD2-CG 3.66Å; F9-P49 HydrophobicContact CE1-CG 4.33Å; F9-P49 HydrophobicContact CE2-CG 3.66Å; F9-P49 HydrophobicContact CG-CG 4.04Å; F9-P49 HydrophobicContact CZ-CG 4.01Å; F9-Y52 HydrophobicContact CB-CD1 3.86Å; F9-Y52 HydrophobicContact CB-CE1 4.27Å; F9-Y52 HydrophobicContact CD2-CD1 4.21Å; F9-Y52 HydrophobicContact CD2-CE1 4.1Å; F9-Y52 HydrophobicContact CG-CD1 4.41Å |
| 10 | V | 94.9 | Very high | 89.4 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 62% | 0.618 | 33% | 0.332 | S | S | * | . | trans | -103.2 | 120.5 | 175.4 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | N12 | V10-N12 PolarHBondContact O-N 2.69Å; V10-N12 PolarHBondContact O-ND2 2.83Å | ||
| 11 | A | 93.4 | Very high | 89.4 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 34% | 0.339 | 35% | 0.345 | S | S | . | . | trans | -63.6 | 125.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E16 | A11-E16 WeakPolarHBondContact CA-OE2 3.28Å; A11-E16 HydrophobicContact CB-CB 3.78Å | ||
| 12 | N | 89.7 | Confident | 89.9 | Confident | 140 Ų | 140 | 66.4 Ų | 66.4 | 75% | 0.749 | 36% | 0.356 | S | S | * | . | trans | -107 | -13.5 | 177.2 | -57.8 | -56.3 | 0 | 0 | 0 | 112.1 | V10 E16 | V10-N12 PolarHBondContact O-N 2.69Å; V10-N12 PolarHBondContact O-ND2 2.83Å; N12-E16 PolarHBondContact N-OE2 3.1Å | ||
| 13 | A | 91.6 | Very high | 90.3 | Very high | 43 Ų | 43 | 66.5 Ų | 66.5 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -124.8 | 160.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | D15 E16 | A13-D15 VanDerWaalsContact C-N 3.28Å; A13-D15 VanDerWaalsContact CB-OD1 3.24Å; A13-D15 WeakPolarHBondContact CB-OD1 3.36Å; A13-D15 PolarHBondContact O-N 3.17Å; A13-E16 HydrophobicContact CB-CG 4Å; A13-E16 PolarHBondContact N-OE2 2.79Å; A13-E16 PolarHBondContact O-N 3.29Å |
| 14 | E | 92.1 | Very high | 90.6 | Very high | 208 Ų | 208 | 70 Ų | 70 | 97% | 0.972 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -25 | -175.5 | -67.4 | -172.4 | 167 | 0 | 0 | 113.5 | ||
| 15 | D | 93.4 | Very high | 90.8 | Very high | 97 Ų | 97 | 66.3 Ų | 66.3 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -3 | 177.9 | 60.6 | -32.5 | 0 | 0 | 0 | 113.1 | A13 G46 L47 | A13-D15 VanDerWaalsContact C-N 3.28Å; A13-D15 VanDerWaalsContact CB-OD1 3.24Å; A13-D15 WeakPolarHBondContact CB-OD1 3.36Å; A13-D15 PolarHBondContact O-N 3.17Å; D15-G46 CarbonylContact O-C 3.53Å; D15-G46 WeakPolarHBondContact O-CA 3.38Å; D15-L47 PolarHBondContact O-N 3.33Å; D15-L47 WeakPolarHBondContact OD2-CD1 3.27Å |
| 16 | E | 94.4 | Very high | 90.9 | Very high | 38 Ų | 38 | 68.3 Ų | 68.3 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -89.8 | 146.4 | 179.6 | -70.3 | 175.6 | -178.7 | 0 | 0 | 112.7 | F9 A11 N12 A13 W36 L47 | F9-E16 HydrophobicContact CE1-CB 4.2Å; F9-E16 HydrophobicContact CZ-CB 4.49Å; F9-E16 HydrophobicContact CZ-CG 4.42Å; F9-E16 WeakPolarHBondContact CZ-OE2 3.47Å; A11-E16 WeakPolarHBondContact CA-OE2 3.28Å; A11-E16 HydrophobicContact CB-CB 3.78Å; N12-E16 PolarHBondContact N-OE2 3.1Å; A13-E16 HydrophobicContact CB-CG 4Å; A13-E16 PolarHBondContact N-OE2 2.79Å; A13-E16 PolarHBondContact O-N 3.29Å; E16-W36 HydrophobicContact CG-CH2 4.17Å; E16-W36 HydrophobicContact CG-CZ3 3.89Å; E16-W36 VanDerWaalsContact OE1-CH2 3.3Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.5Å; E16-L47 WeakPolarHBondContact CA-O 3.35Å |
| 17 | L | 94.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | trans | -105.8 | 108.5 | 175.4 | 178.7 | 66.5 | 0 | 0 | 0 | 110.2 | F9 F19 A39 Q41 R44 L47 I48 | F9-L17 WeakPolarHBondContact CD1-O 3.28Å; L17-F19 WeakPolarHBondContact O-CD1 3.41Å; L17-A39 HydrophobicContact CD2-CB 4.29Å; L17-Q41 HydrophobicContact CD1-CB 4.48Å; L17-Q41 HydrophobicContact CD2-CB 3.92Å; L17-R44 HydrophobicContact CD1-CB 3.79Å; L17-L47 PolarHBondContact N-O 3.05Å; L17-I48 HydrophobicContact CB-CG2 3.78Å; L17-I48 HydrophobicContact CD2-CG2 4.2Å; L17-I48 HydrophobicContact CG-CG2 4.31Å | ||
| 18 | G | 94.6 | Very high | 91.2 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | trans | -74.7 | 140.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F9 | F9-G18 CarbonylContact O-C 3.54Å; F9-G18 WeakPolarHBondContact O-CA 3.49Å | ||
| 19 | F | 95.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 62 Ų | 62 | 4% | 0.039 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -148.3 | 163.4 | -177.8 | 53.3 | -97.1 | 0 | 0 | 0 | 112.6 | A5 Y7 F9 L17 L25 Q41 I48 Y52 I53 | A5-F19 HydrophobicContact CB-CD2 3.47Å; A5-F19 VanDerWaalsContact CB-CD2 3.47Å; A5-F19 HydrophobicContact CB-CE2 3.74Å; A5-F19 HydrophobicContact CB-CG 4.47Å; Y7-F19 WeakPolarHBondContact O-CE2 3.31Å; F9-F19 HydrophobicContact CB-CD1 4.06Å; F9-F19 HydrophobicContact CB-CD2 3.96Å; F9-F19 HydrophobicContact CB-CE1 3.59Å; F9-F19 HydrophobicContact CB-CE2 3.53Å; F9-F19 HydrophobicContact CB-CG 4.22Å; F9-F19 HydrophobicContact CB-CZ 3.33Å; F9-F19 HydrophobicContact CD1-CD1 4.08Å; F9-F19 AromaticContact CD1-CE1 3.54Å; F9-F19 HydrophobicContact CD1-CE1 3.54Å; F9-F19 HydrophobicContact CD1-CZ 4.07Å; F9-F19 AromaticContact CG-CE1 3.88Å; F9-F19 HydrophobicContact CG-CE1 3.88Å; F9-F19 AromaticContact CG-CZ 3.92Å; F9-F19 HydrophobicContact CG-CZ 3.92Å; F9-F19 PolarHBondContact N-O 3.24Å; F9-F19 PolarHBondContact O-N 2.8Å; F9-F19 VanDerWaalsContact O-O 3.12Å; L17-F19 WeakPolarHBondContact O-CD1 3.41Å; F19-L25 HydrophobicContact CB-CD1 4.44Å; F19-L25 HydrophobicContact CB-CD2 3.99Å; F19-L25 HydrophobicContact CD1-CD1 3.8Å; F19-L25 HydrophobicContact CD1-CD2 4.3Å; F19-L25 HydrophobicContact CD2-CD1 4.05Å; F19-L25 HydrophobicContact CE1-CD1 4.04Å; F19-L25 HydrophobicContact CE2-CD1 4.22Å; F19-L25 HydrophobicContact CG-CD1 3.83Å; F19-L25 HydrophobicContact CG-CD2 4.22Å; F19-L25 HydrophobicContact CZ-CD1 4.22Å; F19-Q41 VanDerWaalsContact CB-OE1 3.28Å; F19-I48 HydrophobicContact CD1-CB 4.47Å; F19-I48 HydrophobicContact CD1-CG2 3.82Å; F19-I48 HydrophobicContact CE1-CB 3.64Å; F19-I48 HydrophobicContact CE1-CG2 3.46Å; F19-I48 VanDerWaalsContact CE1-CG2 3.46Å; F19-I48 HydrophobicContact CZ-CB 4.39Å; F19-Y52 HydrophobicContact CE2-CD1 4.5Å; F19-Y52 HydrophobicContact CZ-CD1 4.49Å; F19-Y52 HydrophobicContact CZ-CG 4.48Å; F19-I53 HydrophobicContact CZ-CG2 4.4Å |
| 20 | K | 94.8 | Very high | 89.6 | Confident | 127 Ų | 127 | 62.9 Ų | 62.9 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | trans | -100.2 | 147.7 | 175.7 | -69.1 | -56.3 | -165.5 | 179.7 | 0 | 111.7 | A5 D8 G22 S23 | A5-K20 VanDerWaalsContact CB-O 3.28Å; A5-K20 WeakPolarHBondContact CB-O 3.18Å; D8-K20 VanDerWaalsContact OD2-CD 3.28Å; D8-K20 WeakPolarHBondContact OD2-CD 3.35Å; D8-K20 IonicContact OD2-NZ 3.7Å; D8-K20 PolarHBondContact OD2-NZ 2.73Å; K20-G22 PolarHBondContact O-N 3.45Å; K20-S23 PolarHBondContact N-OG 3.21Å; K20-S23 WeakPolarHBondContact O-CB 3.17Å; K20-S23 PolarHBondContact O-N 2.53Å; K20-S23 PolarHBondContact O-OG 3.18Å | ||
| 21 | K | 90.2 | Very high | 87.9 | Confident | 140 Ų | 140 | 63.5 Ų | 63.5 | 61% | 0.609 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | 135.7 | 169.5 | 179.8 | 174.7 | -179.8 | 179.1 | 0 | 110.4 | S6 D8 S23 | S6-K21 WeakPolarHBondContact O-CD 3.36Å; S6-K21 WeakPolarHBondContact O-CE 3.47Å; S6-K21 WeakPolarHBondContact O-CG 3.09Å; D8-K21 VanDerWaalsContact OD1-CB 3.25Å; D8-K21 WeakPolarHBondContact OD1-CB 3.3Å; D8-K21 PolarHBondContact OD1-N 2.8Å; K21-S23 VanDerWaalsContact C-N 3.26Å; K21-S23 PolarHBondContact O-N 2.89Å |
| 22 | G | 87 | Confident | 86.6 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -3.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A5 K20 | A5-G22 PolarHBondContact O-N 2.81Å; K20-G22 PolarHBondContact O-N 3.45Å |
| 23 | S | 93 | Very high | 85.5 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | trans | -66.1 | 142.5 | 174.4 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | A5 K20 K21 Q41 | A5-S23 PolarHBondContact N-O 2.79Å; K20-S23 PolarHBondContact N-OG 3.21Å; K20-S23 WeakPolarHBondContact O-CB 3.17Å; K20-S23 PolarHBondContact O-N 2.53Å; K20-S23 PolarHBondContact O-OG 3.18Å; K21-S23 VanDerWaalsContact C-N 3.26Å; K21-S23 PolarHBondContact O-N 2.89Å; S23-Q41 VanDerWaalsContact CB-NE2 3.27Å; S23-Q41 PolarHBondContact OG-NE2 2.94Å | ||
| 24 | L | 90.6 | Very high | 84.4 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 125 | 169.8 | -107 | 151 | 0 | 0 | 0 | 109.7 | E2 | E2-L24 HydrophobicContact CB-CD2 3.77Å; E2-L24 HydrophobicContact CG-CD2 3.98Å; E2-L24 WeakPolarHBondContact OE2-CD2 3.24Å |
| 25 | L | 90.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131 | -176.4 | -60.8 | 171 | 0 | 0 | 0 | 109.4 | E2 A3 A5 F19 I27 Q41 I48 I53 | E2-L25 CarbonylContact C-O 3.48Å; E2-L25 WeakPolarHBondContact CA-O 3.32Å; A3-L25 PolarHBondContact N-O 2.81Å; A3-L25 PolarHBondContact O-N 3.33Å; A5-L25 HydrophobicContact CB-CD1 4.26Å; F19-L25 HydrophobicContact CB-CD1 4.44Å; F19-L25 HydrophobicContact CB-CD2 3.99Å; F19-L25 HydrophobicContact CD1-CD1 3.8Å; F19-L25 HydrophobicContact CD1-CD2 4.3Å; F19-L25 HydrophobicContact CD2-CD1 4.05Å; F19-L25 HydrophobicContact CE1-CD1 4.04Å; F19-L25 HydrophobicContact CE2-CD1 4.22Å; F19-L25 HydrophobicContact CG-CD1 3.83Å; F19-L25 HydrophobicContact CG-CD2 4.22Å; F19-L25 HydrophobicContact CZ-CD1 4.22Å; L25-I27 HydrophobicContact CB-CD1 4.33Å; L25-I27 PolarHBondContact O-N 3.41Å; L25-Q41 HydrophobicContact CD2-CB 3.75Å; L25-Q41 HydrophobicContact CD2-CG 4Å; L25-I48 HydrophobicContact CB-CD1 4.45Å; L25-I48 HydrophobicContact CD1-CD1 3.75Å; L25-I53 HydrophobicContact CD1-CG2 3.64Å |
| 26 | K | 88.4 | Confident | 82.9 | Confident | 44 Ų | 44 | 55.4 Ų | 55.4 | 19% | 0.191 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 107.6 | 175.6 | 175.5 | -176 | 168.5 | -158 | 0 | 108.9 | M1 L28 A39 E40 Y126 | M1-K26 CarbonylContact O-C 3.47Å; M1-K26 WeakPolarHBondContact O-CA 3.3Å; K26-L28 HydrophobicContact CD-CD2 4.22Å; K26-L28 HydrophobicContact CG-CD2 4.09Å; K26-L28 PolarHBondContact O-N 2.87Å; K26-A39 CarbonylContact O-C 3.55Å; K26-A39 VanDerWaalsContact O-CA 3.23Å; K26-A39 WeakPolarHBondContact O-CA 3.35Å; K26-E40 HydrophobicContact CB-CB 4.2Å; K26-E40 HydrophobicContact CD-CB 4.4Å; K26-E40 WeakPolarHBondContact CD-OE2 3.13Å; K26-E40 WeakPolarHBondContact CE-OE2 3.31Å; K26-E40 PolarHBondContact N-O 3.22Å; K26-E40 IonicContact NZ-OE1 2.59Å; K26-E40 IonicContact NZ-OE2 3.77Å; K26-E40 PolarHBondContact NZ-OE2 3.42Å; K26-E40 PolarHBondContact O-N 3.19Å; K26-Y126 VanDerWaalsContact CE-OH 3.23Å; K26-Y126 WeakPolarHBondContact CE-OH 3.45Å; K26-Y126 PolarHBondContact NZ-OH 3.18Å; K26-Y126 VanDerWaalsContact NZ-OH 3.15Å |
| 27 | I | 84.8 | Confident | 82.5 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.046 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 119.4 | 178.6 | -49.1 | -52.8 | 0 | 0 | 0 | 109.7 | M1 A3 L25 V30 Y37 A39 I48 I53 M55 | M1-I27 PolarHBondContact N-O 2.94Å; M1-I27 PolarHBondContact O-N 2.83Å; A3-I27 HydrophobicContact CB-CD1 3.86Å; A3-I27 HydrophobicContact CB-CG1 3.75Å; L25-I27 HydrophobicContact CB-CD1 4.33Å; L25-I27 PolarHBondContact O-N 3.41Å; I27-V30 HydrophobicContact CG2-CG1 3.36Å; I27-Y37 HydrophobicContact CG2-CD2 4.31Å; I27-A39 HydrophobicContact CD1-CB 3.9Å; I27-I48 HydrophobicContact CD1-CD1 3.64Å; I27-I53 HydrophobicContact CD1-CD1 3.78Å; I27-I53 HydrophobicContact CG1-CD1 4.44Å; I27-M55 HydrophobicContact CB-CE 4.45Å; I27-M55 HydrophobicContact CG1-CE 4.18Å; I27-M55 HydrophobicContact CG1-SD 3.76Å |
| 28 | L | 81.3 | Confident | 82.1 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 41% | 0.414 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -42.9 | -177.8 | -58.4 | -177.4 | 0 | 0 | 0 | 111.9 | K26 L38 E40 T45 | K26-L28 HydrophobicContact CD-CD2 4.22Å; K26-L28 HydrophobicContact CG-CD2 4.09Å; K26-L28 PolarHBondContact O-N 2.87Å; L28-L38 WeakPolarHBondContact CA-O 3.17Å; L28-L38 HydrophobicContact CB-CB 4.42Å; L28-L38 HydrophobicContact CB-CD2 4.19Å; L28-L38 HydrophobicContact CB-CG 4.16Å; L28-L38 WeakPolarHBondContact CB-O 3.41Å; L28-L38 HydrophobicContact CD1-CD2 4.25Å; L28-L38 HydrophobicContact CD1-CG 4.21Å; L28-L38 PolarHBondContact N-O 3.1Å; L28-E40 HydrophobicContact CD1-CB 4.06Å; L28-E40 HydrophobicContact CD2-CB 4.36Å; L28-E40 HydrophobicContact CG-CB 4.23Å; L28-T45 HydrophobicContact CD1-CG2 3.91Å |
| 29 | C | 74.7 | Confident | 82 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 138.5 | 178.1 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | D32 Y37 L38 | C29-D32 PolarHBondContact SG-OD2 3.24Å; C29-Y37 WeakPolarHBondContact O-CA 3.26Å; C29-Y37 WeakPolarHBondContact O-CB 3.39Å; C29-L38 HydrophobicContact CB-CB 3.97Å; C29-L38 PolarHBondContact N-O 2.7Å; C29-L38 PolarHBondContact O-N 2.98Å |
| 30 | V | 72 | Confident | 81.8 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -125.1 | 0.6 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 113 | I27 Y37 | I27-V30 HydrophobicContact CG2-CG1 3.36Å; V30-Y37 HydrophobicContact CB-CD1 4Å; V30-Y37 HydrophobicContact CB-CD2 4.38Å; V30-Y37 HydrophobicContact CB-CE1 3.9Å; V30-Y37 HydrophobicContact CB-CE2 4.27Å; V30-Y37 HydrophobicContact CB-CG 4.27Å; V30-Y37 HydrophobicContact CG1-CD1 4.12Å; V30-Y37 HydrophobicContact CG1-CD2 3.68Å; V30-Y37 HydrophobicContact CG1-CE1 4.26Å; V30-Y37 HydrophobicContact CG1-CE2 3.82Å; V30-Y37 HydrophobicContact CG1-CG 3.86Å |
| 31 | E | 60 | Low | 81.6 | Confident | 114 Ų | 114 | 53.1 Ų | 53.1 | 53% | 0.533 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -103.7 | -15.4 | -165.6 | -71 | 175.5 | 176.9 | 0 | 0 | 113.9 | R63 | E31-R63 IonicContact OE1-CZ 3.65Å; E31-R63 IonicContact OE1-NH1 2.78Å; E31-R63 PolarHBondContact OE1-NH1 2.75Å; E31-R63 IonicContact OE2-CZ 3.76Å; E31-R63 IonicContact OE2-NH1 3.05Å; E31-R63 PolarHBondContact OE2-NH1 2.95Å; E31-R63 IonicContact OE2-NH2 2.72Å |
| 32 | D | 64.8 | Low | 81.5 | Confident | 145 Ų | 145 | 53.8 Ų | 53.8 | 78% | 0.775 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -81.6 | -38.2 | -175.9 | -60.9 | -39.2 | 0 | 0 | 0 | 112.2 | C29 | C29-D32 PolarHBondContact SG-OD2 3.24Š|
| 33 | D | 66.9 | Low | 81.4 | Confident | 63 Ų | 63 | 54.7 Ų | 54.7 | 34% | 0.337 | 29% | 0.293 | S | S | . | . | trans | -140.8 | 131.7 | 177.7 | -171.7 | -59.9 | 0 | 0 | 0 | 110 | N35 W36 | D33-N35 VanDerWaalsContact C-N 3.29Å; D33-N35 PolarHBondContact O-N 2.97Å; D33-N35 WeakPolarHBondContact OD1-CA 3.28Å; D33-N35 WeakPolarHBondContact OD1-CB 3.33Å; D33-N35 PolarHBondContact OD1-N 3.38Å; D33-W36 HydrophobicContact CB-CB 4.24Å; D33-W36 VanDerWaalsContact O-O 3.11Å; D33-W36 PolarHBondContact OD1-N 3.27Å | ||
| 34 | P | 69.1 | Low | 81.2 | Confident | 42 Ų | 42 | 60.8 Ų | 60.8 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -69.8 | -24.1 | -179.2 | 29.8 | -37.1 | 0 | 0 | 0 | 114 | C50 R213 | P34-C50 PolarHBondContact O-SG 2.86Å; P34-R213 VanDerWaalsContact CG-NH1 3.29Å |
| 35 | N | 71.8 | Confident | 81.3 | Confident | 31 Ų | 31 | 61.6 Ų | 61.6 | 17% | 0.166 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -96.3 | -27.2 | -177.7 | -62.2 | -35.2 | 0 | 0 | 0 | 112.3 | D33 P49 C50 S215 | D33-N35 VanDerWaalsContact C-N 3.29Å; D33-N35 PolarHBondContact O-N 2.97Å; D33-N35 WeakPolarHBondContact OD1-CA 3.28Å; D33-N35 WeakPolarHBondContact OD1-CB 3.33Å; D33-N35 PolarHBondContact OD1-N 3.38Å; N35-P49 CarbonylContact O-C 3.51Å; N35-P49 WeakPolarHBondContact O-CA 3.25Å; N35-C50 PolarHBondContact O-N 2.88Å; N35-C50 PolarHBondContact O-SG 2.74Å; N35-S215 PolarHBondContact ND2-O 2.8Å; N35-S215 PolarHBondContact OD1-O 2.81Å |
| 36 | W | 81 | Confident | 81.5 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 30% | 0.295 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.8 | -175.6 | -67.9 | 92.2 | 0 | 0 | 0 | 112.3 | F9 E16 D33 L47 I48 P49 | F9-W36 HydrophobicContact CE1-CZ3 4.28Å; F9-W36 HydrophobicContact CE2-CH2 4.31Å; F9-W36 AromaticContact CZ-CH2 3.77Å; F9-W36 HydrophobicContact CZ-CH2 3.77Å; F9-W36 AromaticContact CZ-CZ3 3.8Å; F9-W36 HydrophobicContact CZ-CZ3 3.8Å; E16-W36 HydrophobicContact CG-CH2 4.17Å; E16-W36 HydrophobicContact CG-CZ3 3.89Å; E16-W36 VanDerWaalsContact OE1-CH2 3.3Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.5Å; D33-W36 HydrophobicContact CB-CB 4.24Å; D33-W36 VanDerWaalsContact O-O 3.11Å; D33-W36 PolarHBondContact OD1-N 3.27Å; W36-L47 HydrophobicContact CB-CD2 4.46Å; W36-L47 HydrophobicContact CE3-CB 3.8Å; W36-L47 HydrophobicContact CZ3-CB 4.41Å; W36-I48 CarbonylContact C-O 3.51Å; W36-I48 WeakPolarHBondContact CA-O 3.28Å; W36-I48 VanDerWaalsContact CE3-C 3.43Å; W36-P49 HydrophobicContact CE3-CB 4.42Å; W36-P49 HydrophobicContact CH2-CB 4.45Å; W36-P49 HydrophobicContact CH2-CG 4.45Å; W36-P49 HydrophobicContact CZ3-CB 4.3Å; W36-P49 HydrophobicContact CZ3-CG 4.22Å |
| 37 | Y | 86.2 | Confident | 81.6 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 143.5 | 177.1 | -63.4 | -11.5 | 0 | 0 | 0 | 110.3 | I27 C29 V30 A39 L47 I48 C50 I53 | I27-Y37 HydrophobicContact CG2-CD2 4.31Å; C29-Y37 WeakPolarHBondContact O-CA 3.26Å; C29-Y37 WeakPolarHBondContact O-CB 3.39Å; V30-Y37 HydrophobicContact CB-CD1 4Å; V30-Y37 HydrophobicContact CB-CD2 4.38Å; V30-Y37 HydrophobicContact CB-CE1 3.9Å; V30-Y37 HydrophobicContact CB-CE2 4.27Å; V30-Y37 HydrophobicContact CB-CG 4.27Å; V30-Y37 HydrophobicContact CG1-CD1 4.12Å; V30-Y37 HydrophobicContact CG1-CD2 3.68Å; V30-Y37 HydrophobicContact CG1-CE1 4.26Å; V30-Y37 HydrophobicContact CG1-CE2 3.82Å; V30-Y37 HydrophobicContact CG1-CG 3.86Å; Y37-A39 PolarHBondContact O-N 3.42Å; Y37-L47 CarbonylContact O-C 3.52Å; Y37-L47 WeakPolarHBondContact O-CA 3.34Å; Y37-I48 PolarHBondContact N-O 2.88Å; Y37-I48 WeakPolarHBondContact O-CG1 3.5Å; Y37-I48 PolarHBondContact O-N 2.71Å; Y37-C50 HydrophobicContact CD1-CB 4.08Å; Y37-C50 HydrophobicContact CD2-CB 3.87Å; Y37-C50 HydrophobicContact CE1-CB 3.75Å; Y37-C50 HydrophobicContact CE2-CB 3.53Å; Y37-C50 HydrophobicContact CG-CB 4.12Å; Y37-C50 VanDerWaalsContact CZ-CB 3.46Å; Y37-I53 HydrophobicContact CD2-CD1 3.78Å; Y37-I53 HydrophobicContact CE2-CD1 4.25Å |
| 38 | L | 87.6 | Confident | 81.9 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.6 | 168.8 | -175 | 66.3 | 0 | 0 | 0 | 108.3 | L28 C29 L47 | L28-L38 WeakPolarHBondContact CA-O 3.17Å; L28-L38 HydrophobicContact CB-CB 4.42Å; L28-L38 HydrophobicContact CB-CD2 4.19Å; L28-L38 HydrophobicContact CB-CG 4.16Å; L28-L38 WeakPolarHBondContact CB-O 3.41Å; L28-L38 HydrophobicContact CD1-CD2 4.25Å; L28-L38 HydrophobicContact CD1-CG 4.21Å; L28-L38 PolarHBondContact N-O 3.1Å; C29-L38 HydrophobicContact CB-CB 3.97Å; C29-L38 PolarHBondContact N-O 2.7Å; C29-L38 PolarHBondContact O-N 2.98Å; L38-L47 HydrophobicContact CD1-CD2 4.48Å |
| 39 | A | 91.7 | Very high | 81.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 166 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L17 K26 I27 Y37 T45 G46 I48 | L17-A39 HydrophobicContact CD2-CB 4.29Å; K26-A39 CarbonylContact O-C 3.55Å; K26-A39 VanDerWaalsContact O-CA 3.23Å; K26-A39 WeakPolarHBondContact O-CA 3.35Å; I27-A39 HydrophobicContact CD1-CB 3.9Å; Y37-A39 PolarHBondContact O-N 3.42Å; A39-T45 VanDerWaalsContact O-CA 3.23Å; A39-T45 WeakPolarHBondContact O-CA 3.26Å; A39-G46 PolarHBondContact N-O 3.11Å; A39-G46 PolarHBondContact O-N 3.01Å; A39-I48 HydrophobicContact CB-CB 4.49Å; A39-I48 HydrophobicContact CB-CD1 3.39Å; A39-I48 HydrophobicContact CB-CG1 3.67Å; A39-I48 HydrophobicContact CB-CG2 4Å |
| 40 | E | 91.2 | Very high | 82.1 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.4 | 176.6 | -173 | -168.7 | 147.5 | 0 | 0 | 109.6 | K26 L28 R44 T45 | K26-E40 HydrophobicContact CB-CB 4.2Å; K26-E40 HydrophobicContact CD-CB 4.4Å; K26-E40 WeakPolarHBondContact CD-OE2 3.13Å; K26-E40 WeakPolarHBondContact CE-OE2 3.31Å; K26-E40 PolarHBondContact N-O 3.22Å; K26-E40 IonicContact NZ-OE1 2.59Å; K26-E40 IonicContact NZ-OE2 3.77Å; K26-E40 PolarHBondContact NZ-OE2 3.42Å; K26-E40 PolarHBondContact O-N 3.19Å; L28-E40 HydrophobicContact CD1-CB 4.06Å; L28-E40 HydrophobicContact CD2-CB 4.36Å; L28-E40 HydrophobicContact CG-CB 4.23Å; E40-R44 CarbonylContact C-O 3.59Å; E40-R44 WeakPolarHBondContact CA-O 2.97Å; E40-T45 HydrophobicContact CB-CG2 3.92Å; E40-T45 HydrophobicContact CG-CG2 3.82Å |
| 41 | Q | 91.9 | Very high | 82.3 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 13% | 0.131 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 125.7 | 170.7 | -170 | 179.6 | 17.4 | 0 | 0 | 109.4 | L17 F19 S23 L25 G43 R44 | L17-Q41 HydrophobicContact CD1-CB 4.48Å; L17-Q41 HydrophobicContact CD2-CB 3.92Å; F19-Q41 VanDerWaalsContact CB-OE1 3.28Å; S23-Q41 VanDerWaalsContact CB-NE2 3.27Å; S23-Q41 PolarHBondContact OG-NE2 2.94Å; L25-Q41 HydrophobicContact CD2-CB 3.75Å; L25-Q41 HydrophobicContact CD2-CG 4Å; Q41-G43 PolarHBondContact O-N 3.43Å; Q41-R44 PolarHBondContact N-O 2.85Å; Q41-R44 WeakPolarHBondContact O-CB 3.3Å; Q41-R44 PolarHBondContact O-N 2.84Å |
| 42 | E | 86.6 | Confident | 83.5 | Confident | 155 Ų | 155 | 57.3 Ų | 57.3 | 72% | 0.724 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 41.2 | 176.7 | -62.2 | 173.2 | 174.6 | 0 | 0 | 113.3 | R44 | E42-R44 PolarHBondContact O-N 3.32Å; E42-R44 IonicContact OE2-NH2 3.74Å; E42-R44 PolarHBondContact OE2-NH2 2.88Å |
| 43 | G | 84.7 | Confident | 84.3 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 66% | 0.66 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | -2.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q41 | Q41-G43 PolarHBondContact O-N 3.43Š|
| 44 | R | 90.4 | Very high | 84.7 | Confident | 150 Ų | 150 | 49.7 Ų | 49.7 | 57% | 0.566 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 139.7 | 170.2 | -69 | 177 | -84.9 | 173.7 | -4.4 | 109.5 | L17 E40 Q41 E42 | L17-R44 HydrophobicContact CD1-CB 3.79Å; E40-R44 CarbonylContact C-O 3.59Å; E40-R44 WeakPolarHBondContact CA-O 2.97Å; Q41-R44 PolarHBondContact N-O 2.85Å; Q41-R44 WeakPolarHBondContact O-CB 3.3Å; Q41-R44 PolarHBondContact O-N 2.84Å; E42-R44 PolarHBondContact O-N 3.32Å; E42-R44 IonicContact OE2-NH2 3.74Å; E42-R44 PolarHBondContact OE2-NH2 2.88Å |
| 45 | T | 92.8 | Very high | 85 | Confident | 90 Ų | 90 | 49.5 Ų | 49.5 | 55% | 0.552 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.5 | 176.4 | 56.8 | 0 | 0 | 0 | 0 | 110 | L28 A39 E40 | L28-T45 HydrophobicContact CD1-CG2 3.91Å; A39-T45 VanDerWaalsContact O-CA 3.23Å; A39-T45 WeakPolarHBondContact O-CA 3.26Å; E40-T45 HydrophobicContact CB-CG2 3.92Å; E40-T45 HydrophobicContact CG-CG2 3.82Å |
| 46 | G | 93.8 | Very high | 85.2 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.7 | 172.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | D15 A39 | D15-G46 CarbonylContact O-C 3.53Å; D15-G46 WeakPolarHBondContact O-CA 3.38Å; A39-G46 PolarHBondContact N-O 3.11Å; A39-G46 PolarHBondContact O-N 3.01Å |
| 47 | L | 91.4 | Very high | 84.6 | Confident | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.267 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 137.3 | 177.3 | -64.2 | 177.7 | 0 | 0 | 0 | 110.1 | D15 E16 L17 W36 Y37 L38 | D15-L47 PolarHBondContact O-N 3.33Å; D15-L47 WeakPolarHBondContact OD2-CD1 3.27Å; E16-L47 WeakPolarHBondContact CA-O 3.35Å; L17-L47 PolarHBondContact N-O 3.05Å; W36-L47 HydrophobicContact CB-CD2 4.46Å; W36-L47 HydrophobicContact CE3-CB 3.8Å; W36-L47 HydrophobicContact CZ3-CB 4.41Å; Y37-L47 CarbonylContact O-C 3.52Å; Y37-L47 WeakPolarHBondContact O-CA 3.34Å; L38-L47 HydrophobicContact CD1-CD2 4.48Å |
| 48 | I | 89.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.3 | 175.2 | 63.2 | 166.4 | 0 | 0 | 0 | 110.2 | L17 F19 L25 I27 W36 Y37 A39 C50 I53 | L17-I48 HydrophobicContact CB-CG2 3.78Å; L17-I48 HydrophobicContact CD2-CG2 4.2Å; L17-I48 HydrophobicContact CG-CG2 4.31Å; F19-I48 HydrophobicContact CD1-CB 4.47Å; F19-I48 HydrophobicContact CD1-CG2 3.82Å; F19-I48 HydrophobicContact CE1-CB 3.64Å; F19-I48 HydrophobicContact CE1-CG2 3.46Å; F19-I48 VanDerWaalsContact CE1-CG2 3.46Å; F19-I48 HydrophobicContact CZ-CB 4.39Å; L25-I48 HydrophobicContact CB-CD1 4.45Å; L25-I48 HydrophobicContact CD1-CD1 3.75Å; I27-I48 HydrophobicContact CD1-CD1 3.64Å; W36-I48 CarbonylContact C-O 3.51Å; W36-I48 WeakPolarHBondContact CA-O 3.28Å; W36-I48 VanDerWaalsContact CE3-C 3.43Å; Y37-I48 PolarHBondContact N-O 2.88Å; Y37-I48 WeakPolarHBondContact O-CG1 3.5Å; Y37-I48 PolarHBondContact O-N 2.71Å; A39-I48 HydrophobicContact CB-CB 4.49Å; A39-I48 HydrophobicContact CB-CD1 3.39Å; A39-I48 HydrophobicContact CB-CG1 3.67Å; A39-I48 HydrophobicContact CB-CG2 4Å; I48-C50 PolarHBondContact O-N 3.08Å; I48-I53 HydrophobicContact CD1-CD1 3.97Å; I48-I53 HydrophobicContact CD1-CG2 3.83Å |
| 49 | P | 82.8 | Confident | 83.8 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.4 | 177.2 | 21.9 | -24 | 0 | 0 | 0 | 110.6 | F9 N35 W36 N51 Y52 | F9-P49 HydrophobicContact CD1-CG 4.34Å; F9-P49 HydrophobicContact CD2-CG 3.66Å; F9-P49 HydrophobicContact CE1-CG 4.33Å; F9-P49 HydrophobicContact CE2-CG 3.66Å; F9-P49 HydrophobicContact CG-CG 4.04Å; F9-P49 HydrophobicContact CZ-CG 4.01Å; N35-P49 CarbonylContact O-C 3.51Å; N35-P49 WeakPolarHBondContact O-CA 3.25Å; W36-P49 HydrophobicContact CE3-CB 4.42Å; W36-P49 HydrophobicContact CH2-CB 4.45Å; W36-P49 HydrophobicContact CH2-CG 4.45Å; W36-P49 HydrophobicContact CZ3-CB 4.3Å; W36-P49 HydrophobicContact CZ3-CG 4.22Å; P49-N51 WeakPolarHBondContact CB-OD1 3.39Å; P49-N51 PolarHBondContact O-N 2.84Å; P49-Y52 HydrophobicContact CB-CD2 3.8Å; P49-Y52 HydrophobicContact CB-CE2 4.42Å; P49-Y52 HydrophobicContact CB-CG 4.36Å; P49-Y52 HydrophobicContact CG-CD1 4.4Å; P49-Y52 HydrophobicContact CG-CD2 3.57Å; P49-Y52 HydrophobicContact CG-CE2 4.18Å; P49-Y52 HydrophobicContact CG-CG 3.72Å; P49-Y52 WeakPolarHBondContact O-CB 3.28Å; P49-Y52 PolarHBondContact O-N 3.41Å |
| 50 | C | 78.7 | Confident | 83.7 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 9% | 0.088 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -65.2 | -24.5 | -174.5 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | P34 N35 Y37 I48 Y52 I53 | P34-C50 PolarHBondContact O-SG 2.86Å; N35-C50 PolarHBondContact O-N 2.88Å; N35-C50 PolarHBondContact O-SG 2.74Å; Y37-C50 HydrophobicContact CD1-CB 4.08Å; Y37-C50 HydrophobicContact CD2-CB 3.87Å; Y37-C50 HydrophobicContact CE1-CB 3.75Å; Y37-C50 HydrophobicContact CE2-CB 3.53Å; Y37-C50 HydrophobicContact CG-CB 4.12Å; Y37-C50 VanDerWaalsContact CZ-CB 3.46Å; I48-C50 PolarHBondContact O-N 3.08Å; C50-Y52 VanDerWaalsContact C-N 3.26Å; C50-Y52 PolarHBondContact O-N 3.21Å; C50-I53 VanDerWaalsContact O-CG1 3.25Å; C50-I53 WeakPolarHBondContact O-CG1 3.48Å |
| 51 | N | 75.1 | Confident | 83.5 | Confident | 70 Ų | 70 | 51.2 Ų | 51.2 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -79.5 | -6 | 175.5 | 66 | -40.6 | 0 | 0 | 0 | 113.2 | P49 | P49-N51 WeakPolarHBondContact CB-OD1 3.39Å; P49-N51 PolarHBondContact O-N 2.84Å |
| 52 | Y | 84.9 | Confident | 83.2 | Confident | 76 Ų | 76 | 51.4 Ų | 51.4 | 30% | 0.298 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -93.6 | -0.8 | 175 | -81.1 | -121.1 | 0 | 0 | 0 | 113.3 | A5 S6 Y7 D8 F9 F19 P49 C50 | A5-Y52 CarbonylContact C-O 3.43Å; S6-Y52 PolarHBondContact N-O 3.42Å; Y7-Y52 HydrophobicContact CD2-CD1 4.38Å; Y7-Y52 HydrophobicContact CD2-CG 4.38Å; D8-Y52 VanDerWaalsContact O-CE1 3.28Å; D8-Y52 WeakPolarHBondContact O-CE1 3.43Å; F9-Y52 HydrophobicContact CB-CD1 3.86Å; F9-Y52 HydrophobicContact CB-CE1 4.27Å; F9-Y52 HydrophobicContact CD2-CD1 4.21Å; F9-Y52 HydrophobicContact CD2-CE1 4.1Å; F9-Y52 HydrophobicContact CG-CD1 4.41Å; F19-Y52 HydrophobicContact CE2-CD1 4.5Å; F19-Y52 HydrophobicContact CZ-CD1 4.49Å; F19-Y52 HydrophobicContact CZ-CG 4.48Å; P49-Y52 HydrophobicContact CB-CD2 3.8Å; P49-Y52 HydrophobicContact CB-CE2 4.42Å; P49-Y52 HydrophobicContact CB-CG 4.36Å; P49-Y52 HydrophobicContact CG-CD1 4.4Å; P49-Y52 HydrophobicContact CG-CD2 3.57Å; P49-Y52 HydrophobicContact CG-CE2 4.18Å; P49-Y52 HydrophobicContact CG-CG 3.72Å; P49-Y52 WeakPolarHBondContact O-CB 3.28Å; P49-Y52 PolarHBondContact O-N 3.41Å; C50-Y52 VanDerWaalsContact C-N 3.26Å; C50-Y52 PolarHBondContact O-N 3.21Å |
| 53 | I | 81.3 | Confident | 82.9 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.5 | -175.6 | 62.3 | 168 | 0 | 0 | 0 | 112 | A3 E4 F19 L25 I27 Y37 I48 C50 M55 | A3-I53 HydrophobicContact CB-CB 3.95Å; A3-I53 HydrophobicContact CB-CD1 3.75Å; A3-I53 HydrophobicContact CB-CG1 4.29Å; E4-I53 CarbonylContact O-C 3.54Å; E4-I53 VanDerWaalsContact O-CA 3.31Å; E4-I53 WeakPolarHBondContact O-CA 3.4Å; F19-I53 HydrophobicContact CZ-CG2 4.4Å; L25-I53 HydrophobicContact CD1-CG2 3.64Å; I27-I53 HydrophobicContact CD1-CD1 3.78Å; I27-I53 HydrophobicContact CG1-CD1 4.44Å; Y37-I53 HydrophobicContact CD2-CD1 3.78Å; Y37-I53 HydrophobicContact CE2-CD1 4.25Å; I48-I53 HydrophobicContact CD1-CD1 3.97Å; I48-I53 HydrophobicContact CD1-CG2 3.83Å; C50-I53 VanDerWaalsContact O-CG1 3.25Å; C50-I53 WeakPolarHBondContact O-CG1 3.48Å; I53-M55 HydrophobicContact CD1-SD 4.26Å |
| 54 | T | 77 | Confident | 82.7 | Confident | 44 Ų | 44 | 50.7 Ų | 50.7 | 27% | 0.27 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 114.8 | 167.3 | -64 | 0 | 0 | 0 | 0 | 108 | A3 E4 S6 R56 | A3-T54 CarbonylContact C-O 3.52Å; A3-T54 VanDerWaalsContact CA-O 3.29Å; A3-T54 WeakPolarHBondContact CA-O 3.18Å; E4-T54 PolarHBondContact N-O 2.82Å; E4-T54 PolarHBondContact O-N 3.46Å; S6-T54 PolarHBondContact OG-OG1 3.4Å; T54-R56 PolarHBondContact O-N 3.29Å |
| 55 | M | 74.4 | Confident | 82.5 | Confident | 37 Ų | 37 | 43.7 Ų | 43.7 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 128 | 176.1 | -69.4 | -62.4 | -64.2 | 0 | 0 | 109.3 | M1 A3 I27 I53 H58 | M1-M55 HydrophobicContact CB-CE 3.9Å; M1-M55 HydrophobicContact CE-CE 3.73Å; A3-M55 HydrophobicContact CB-SD 3.78Å; I27-M55 HydrophobicContact CB-CE 4.45Å; I27-M55 HydrophobicContact CG1-CE 4.18Å; I27-M55 HydrophobicContact CG1-SD 3.76Å; I53-M55 HydrophobicContact CD1-SD 4.26Å; M55-H58 WeakPolarHBondContact CE-NE2 3.18Å |
| 56 | R | 76.6 | Confident | 82.4 | Confident | 88 Ų | 88 | 41 Ų | 41 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 138.2 | 173.7 | -72.5 | -167.3 | 164.6 | -155 | -7.9 | 109 | E2 E4 T54 H58 | E2-R56 WeakPolarHBondContact O-CB 3.45Å; E2-R56 PolarHBondContact O-N 2.73Å; E4-R56 IonicContact OE2-CZ 3.53Å; E4-R56 IonicContact OE2-NE 3.29Å; E4-R56 IonicContact OE2-NH2 3.79Å; E4-R56 PolarHBondContact OE2-NH2 3.25Å; T54-R56 PolarHBondContact O-N 3.29Å; R56-H58 PolarHBondContact O-CD2 3.23Å; R56-H58 PolarHBondContact O-N 2.9Å; R56-H58 PolarHBondContact O-NE2 2.91Å |
| 57 | P | 68.1 | Low | 82.3 | Confident | 96 Ų | 96 | 46.9 Ų | 46.9 | 62% | 0.623 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -60.2 | 127.8 | 179.8 | 22.3 | -31.4 | 0 | 0 | 0 | 110.9 | P59 | P57-P59 VanDerWaalsContact C-CD 3.46Š|
| 58 | H | 78.3 | Confident | 82.4 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.06 | 25% | 0.246 | C | C | . | . | trans | -133.4 | 62 | 177.2 | 42.9 | 58.2 | 0 | 0 | 0 | 109.4 | M1 M55 R56 W60 Y61 | M1-H58 WeakPolarHBondContact CE-CE1 3.43Å; M1-H58 WeakPolarHBondContact CE-NE2 3.45Å; M1-H58 HydrophobicContact SD-CB 4.28Å; M1-H58 PolarHBondContact SD-CD2 2.54Å; M1-H58 PolarHBondContact SD-CE1 3Å; M1-H58 PolarHBondContact SD-ND1 3.4Å; M1-H58 PolarHBondContact SD-NE2 2.81Å; M55-H58 WeakPolarHBondContact CE-NE2 3.18Å; R56-H58 PolarHBondContact O-CD2 3.23Å; R56-H58 PolarHBondContact O-N 2.9Å; R56-H58 PolarHBondContact O-NE2 2.91Å; H58-W60 HydrophobicContact CB-CD2 4.42Å; H58-W60 HydrophobicContact CB-CH2 4.18Å; H58-W60 HydrophobicContact CB-CZ2 3.93Å; H58-W60 HydrophobicContact CB-CZ3 4.49Å; H58-W60 PolarHBondContact O-N 2.84Å; H58-W60 VanDerWaalsContact O-N 3.14Å; H58-Y61 PolarHBondContact O-N 3.18Å | ||
| 59 | P | 79.2 | Confident | 82.6 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 31% | 0.305 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -21.9 | -178.4 | 27.6 | -35.9 | 0 | 0 | 0 | 112.5 | P57 V169 | P57-P59 VanDerWaalsContact C-CD 3.46Å; P59-V169 HydrophobicContact CB-CG2 3.94Å |
| 60 | W | 88.3 | Confident | 83.2 | Confident | 13 Ų | 13 | 52.5 Ų | 52.5 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -11.9 | 177 | 44.2 | -98.5 | 0 | 0 | 0 | 114.1 | H58 F91 I92 L93 I136 I140 | H58-W60 HydrophobicContact CB-CD2 4.42Å; H58-W60 HydrophobicContact CB-CH2 4.18Å; H58-W60 HydrophobicContact CB-CZ2 3.93Å; H58-W60 HydrophobicContact CB-CZ3 4.49Å; H58-W60 PolarHBondContact O-N 2.84Å; H58-W60 VanDerWaalsContact O-N 3.14Å; W60-F91 HydrophobicContact CB-CD2 4Å; W60-F91 HydrophobicContact CB-CE1 4.4Å; W60-F91 HydrophobicContact CB-CE2 3.3Å; W60-F91 HydrophobicContact CB-CZ 3.53Å; W60-F91 AromaticContact CD1-CZ 3.91Å; W60-F91 AromaticContact CD2-CE2 3.96Å; W60-F91 HydrophobicContact CD2-CE2 3.96Å; W60-F91 HydrophobicContact CD2-CZ 4.27Å; W60-F91 HydrophobicContact CE3-CE2 4.27Å; W60-F91 AromaticContact CG-CE2 3.57Å; W60-F91 HydrophobicContact CG-CE2 3.57Å; W60-F91 AromaticContact CG-CZ 3.61Å; W60-F91 HydrophobicContact CG-CZ 3.61Å; W60-I92 WeakPolarHBondContact O-CA 3.45Å; W60-L93 HydrophobicContact CE3-CB 3.76Å; W60-L93 HydrophobicContact CE3-CD2 4.17Å; W60-L93 HydrophobicContact CZ3-CB 4.06Å; W60-L93 HydrophobicContact CZ3-CD2 3.57Å; W60-L93 HydrophobicContact CZ3-CG 4.44Å; W60-L93 PolarHBondContact O-N 2.76Å; W60-I136 HydrophobicContact CH2-CG2 4.35Å; W60-I136 HydrophobicContact CZ3-CG2 4.3Å; W60-I140 HydrophobicContact CH2-CG1 4.29Å; W60-I140 HydrophobicContact CZ2-CG1 4.47Å; W60-I140 HydrophobicContact CZ3-CG1 4.34Å |
| 61 | Y | 88.2 | Confident | 84.1 | Confident | 24 Ų | 24 | 55 Ų | 55 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -94.9 | 120.2 | 178.3 | 179.8 | -117.9 | 0 | 0 | 0 | 111.8 | M1 H58 R63 L93 F103 | M1-Y61 HydrophobicContact CE-CD1 4.34Å; M1-Y61 HydrophobicContact CG-CD1 4.04Å; M1-Y61 HydrophobicContact CG-CE1 4.19Å; M1-Y61 HydrophobicContact SD-CD1 3.21Å; M1-Y61 WeakPolarHBondContact SD-CD1 3.48Å; M1-Y61 HydrophobicContact SD-CE1 3.73Å; M1-Y61 HydrophobicContact SD-CG 4.09Å; H58-Y61 PolarHBondContact O-N 3.18Å; Y61-R63 HydrophobicContact CE1-CB 3.84Å; Y61-R63 HydrophobicContact CE2-CB 4.49Å; Y61-R63 WeakPolarHBondContact OH-CB 3.18Å; Y61-R63 WeakPolarHBondContact OH-CG 3.16Å; Y61-L93 WeakPolarHBondContact CA-O 3.38Å; Y61-L93 HydrophobicContact CD2-CB 4.08Å; Y61-L93 HydrophobicContact CD2-CD2 3.75Å; Y61-L93 HydrophobicContact CD2-CG 4.05Å; Y61-L93 VanDerWaalsContact CD2-O 3.32Å; Y61-L93 WeakPolarHBondContact CD2-O 3.37Å; Y61-L93 HydrophobicContact CE2-CD2 4.31Å; Y61-F103 AromaticContact CE2-CD1 3.85Å; Y61-F103 HydrophobicContact CE2-CD1 3.85Å; Y61-F103 AromaticContact CE2-CE1 3.65Å; Y61-F103 HydrophobicContact CE2-CE1 3.65Å; Y61-F103 AromaticContact CZ-CE1 3.9Å |
| 62 | I | 85.9 | Confident | 85 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | trans | -126.4 | 94.7 | 175 | -51.2 | 168.5 | 0 | 0 | 0 | 107.6 | H64 C65 I92 L93 | I62-H64 PolarHBondContact O-N 2.7Å; I62-C65 HydrophobicContact CB-CB 3.76Å; I62-C65 HydrophobicContact CG2-CB 3.61Å; I62-C65 VanDerWaalsContact O-CB 3.31Å; I62-C65 WeakPolarHBondContact O-CB 3.33Å; I62-C65 PolarHBondContact O-N 2.65Å; I62-C65 VanDerWaalsContact O-N 3.16Å; I62-I92 HydrophobicContact CB-CG2 4.14Å; I62-I92 HydrophobicContact CD1-CD1 4Å; I62-I92 HydrophobicContact CD1-CG1 4.04Å; I62-I92 HydrophobicContact CD1-CG2 3.89Å; I62-I92 HydrophobicContact CG1-CG2 4.17Å; I62-L93 PolarHBondContact N-O 2.77Å | ||
| 63 | R | 79.8 | Confident | 85.5 | Confident | 69 Ų | 69 | 54 Ų | 54 | 26% | 0.26 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48 | -56.5 | -170.9 | -178.1 | 171.8 | -173.1 | -177.7 | 0.7 | 113.6 | E31 Y61 C65 Q95 | E31-R63 IonicContact OE1-CZ 3.65Å; E31-R63 IonicContact OE1-NH1 2.78Å; E31-R63 PolarHBondContact OE1-NH1 2.75Å; E31-R63 IonicContact OE2-CZ 3.76Å; E31-R63 IonicContact OE2-NH1 3.05Å; E31-R63 PolarHBondContact OE2-NH1 2.95Å; E31-R63 IonicContact OE2-NH2 2.72Å; Y61-R63 HydrophobicContact CE1-CB 3.84Å; Y61-R63 HydrophobicContact CE2-CB 4.49Å; Y61-R63 WeakPolarHBondContact OH-CB 3.18Å; Y61-R63 WeakPolarHBondContact OH-CG 3.16Å; R63-C65 PolarHBondContact O-N 3.37Å; R63-Q95 WeakPolarHBondContact O-CB 3.43Å; R63-Q95 PolarHBondContact O-N 3.45Å; R63-Q95 VanDerWaalsContact O-N 3.12Å |
| 64 | H | 79.6 | Confident | 86.3 | Confident | 134 Ų | 134 | 53.9 Ų | 53.9 | 62% | 0.62 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 23 | -174.9 | -58.4 | -65 | 0 | 0 | 0 | 113.7 | I62 S66 | I62-H64 PolarHBondContact O-N 2.7Å; H64-S66 PolarHBondContact O-N 3.41Å |
| 65 | C | 86.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.02 | 25% | 0.254 | C | S | . | . | trans | -72 | 121.3 | 173.7 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | I62 R63 A70 I92 R94 | I62-C65 HydrophobicContact CB-CB 3.76Å; I62-C65 HydrophobicContact CG2-CB 3.61Å; I62-C65 VanDerWaalsContact O-CB 3.31Å; I62-C65 WeakPolarHBondContact O-CB 3.33Å; I62-C65 PolarHBondContact O-N 2.65Å; I62-C65 VanDerWaalsContact O-N 3.16Å; R63-C65 PolarHBondContact O-N 3.37Å; C65-A70 PolarHBondContact SG-N 2.83Å; C65-A70 VanDerWaalsContact SG-N 3.43Å; C65-I92 HydrophobicContact CB-CG2 4.33Å; C65-R94 HydrophobicContact CB-CB 3.94Å; C65-R94 WeakPolarHBondContact O-CB 3.45Å; C65-R94 VanDerWaalsContact O-CD 3.28Å; C65-R94 WeakPolarHBondContact O-CD 3.42Å | ||
| 66 | S | 90.9 | Very high | 88.2 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 25% | 0.245 | 25% | 0.25 | C | C | . | . | trans | -72.2 | 166.3 | 172.8 | 68.5 | 0 | 0 | 0 | 0 | 111.4 | H64 M68 E69 A70 E97 | H64-S66 PolarHBondContact O-N 3.41Å; S66-M68 VanDerWaalsContact C-N 3.31Å; S66-M68 PolarHBondContact O-N 2.91Å; S66-E69 PolarHBondContact N-OE2 2.89Å; S66-E69 PolarHBondContact O-N 3.49Å; S66-E69 WeakPolarHBondContact OG-CB 3.4Å; S66-E69 PolarHBondContact OG-N 3.23Å; S66-A70 WeakPolarHBondContact O-CB 3.44Å; S66-A70 PolarHBondContact O-N 3.47Å; S66-E97 WeakPolarHBondContact CA-OE1 3.34Å; S66-E97 WeakPolarHBondContact CB-OE1 3.48Å | ||
| 67 | R | 92.8 | Very high | 89.1 | Confident | 127 Ų | 127 | 52.3 Ų | 52.3 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.8 | -49.6 | 171.3 | -179.2 | 176.6 | 179.5 | 163.1 | 1.6 | 111.3 | A70 E71 R94 E97 H115 | R67-A70 WeakPolarHBondContact O-CB 3.28Å; R67-A70 PolarHBondContact O-N 2.93Å; R67-E71 IonicContact CZ-OE1 3.88Å; R67-E71 IonicContact NE-OE1 3.8Å; R67-E71 PolarHBondContact NE-OE1 2.97Å; R67-E71 IonicContact NH2-OE1 3.84Å; R67-E71 WeakPolarHBondContact O-CG 3.48Å; R67-E71 PolarHBondContact O-N 3.01Å; R67-R94 VanDerWaalsContact CB-NH2 3.35Å; R67-E97 WeakPolarHBondContact CB-OE2 3.47Å; R67-E97 PolarHBondContact N-OE1 3.49Å; R67-E97 PolarHBondContact N-OE2 2.78Å; R67-H115 PolarHBondContact NE-CD2 2.73Å; R67-H115 PolarHBondContact NE-NE2 3.15Å; R67-H115 PolarHBondContact NH2-CD2 3.24Å |
| 68 | M | 93.3 | Very high | 90.2 | Very high | 125 Ų | 125 | 49.7 Ų | 49.7 | 62% | 0.616 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62.8 | -43.9 | -178.1 | -175.7 | 176.6 | 69.2 | 0 | 0 | 110.9 | S66 A70 E71 E72 | S66-M68 VanDerWaalsContact C-N 3.31Å; S66-M68 PolarHBondContact O-N 2.91Å; M68-A70 VanDerWaalsContact C-N 3.34Å; M68-A70 PolarHBondContact O-N 2.82Å; M68-E71 WeakPolarHBondContact O-CB 3.35Å; M68-E71 PolarHBondContact O-N 3.05Å; M68-E72 WeakPolarHBondContact O-CG 3.4Å; M68-E72 PolarHBondContact O-N 3.32Å |
| 69 | E | 93.5 | Very high | 90.8 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 175.9 | -177 | -178.2 | 179.3 | 0 | 0 | 112.2 | S66 E71 E72 R73 | S66-E69 PolarHBondContact N-OE2 2.89Å; S66-E69 PolarHBondContact O-N 3.49Å; S66-E69 WeakPolarHBondContact OG-CB 3.4Å; S66-E69 PolarHBondContact OG-N 3.23Å; E69-E71 VanDerWaalsContact C-N 3.32Å; E69-E71 PolarHBondContact O-N 2.76Å; E69-E72 PolarHBondContact O-N 2.96Å; E69-R73 HydrophobicContact CG-CG 4.41Å; E69-R73 WeakPolarHBondContact O-CB 3.35Å; E69-R73 VanDerWaalsContact O-CG 3.26Å; E69-R73 WeakPolarHBondContact O-CG 3.29Å; E69-R73 PolarHBondContact O-N 3.13Å; E69-R73 IonicContact OE1-CZ 3.64Å; E69-R73 IonicContact OE1-NE 3.7Å; E69-R73 PolarHBondContact OE1-NE 2.86Å; E69-R73 IonicContact OE1-NH2 2.91Å; E69-R73 PolarHBondContact OE1-NH2 3.02Å |
| 70 | A | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C65 S66 R67 M68 L74 I92 | C65-A70 PolarHBondContact SG-N 2.83Å; C65-A70 VanDerWaalsContact SG-N 3.43Å; S66-A70 WeakPolarHBondContact O-CB 3.44Å; S66-A70 PolarHBondContact O-N 3.47Å; R67-A70 WeakPolarHBondContact O-CB 3.28Å; R67-A70 PolarHBondContact O-N 2.93Å; M68-A70 VanDerWaalsContact C-N 3.34Å; M68-A70 PolarHBondContact O-N 2.82Å; A70-L74 VanDerWaalsContact O-CB 3.26Å; A70-L74 WeakPolarHBondContact O-CB 3.06Å; A70-L74 WeakPolarHBondContact O-CD1 3.49Å; A70-L74 VanDerWaalsContact O-CG 3.28Å; A70-L74 WeakPolarHBondContact O-CG 3.44Å; A70-L74 PolarHBondContact O-N 3.47Å; A70-I92 HydrophobicContact CB-CD1 4.33Å |
| 71 | E | 96.9 | Very high | 91.6 | Very high | 66 Ų | 66 | 66.8 Ų | 66.8 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 174.1 | -71.7 | 169.8 | -174.7 | 0 | 0 | 111.2 | R67 M68 E69 R73 L74 Q75 V113 H115 | R67-E71 IonicContact CZ-OE1 3.88Å; R67-E71 IonicContact NE-OE1 3.8Å; R67-E71 PolarHBondContact NE-OE1 2.97Å; R67-E71 IonicContact NH2-OE1 3.84Å; R67-E71 WeakPolarHBondContact O-CG 3.48Å; R67-E71 PolarHBondContact O-N 3.01Å; M68-E71 WeakPolarHBondContact O-CB 3.35Å; M68-E71 PolarHBondContact O-N 3.05Å; E69-E71 VanDerWaalsContact C-N 3.32Å; E69-E71 PolarHBondContact O-N 2.76Å; E71-R73 PolarHBondContact O-N 2.83Å; E71-L74 PolarHBondContact O-N 3.03Å; E71-Q75 VanDerWaalsContact O-CB 3.28Å; E71-Q75 WeakPolarHBondContact O-CB 3.45Å; E71-Q75 WeakPolarHBondContact O-CG 3.5Å; E71-Q75 PolarHBondContact O-N 3.15Å; E71-V113 HydrophobicContact CB-CG2 4.49Å; E71-V113 HydrophobicContact CG-CB 4Å; E71-V113 HydrophobicContact CG-CG1 4.34Å; E71-V113 HydrophobicContact CG-CG2 4.28Å; E71-H115 IonicContact OE1-CE1 2.76Å; E71-H115 IonicContact OE1-NE2 2.8Å; E71-H115 PolarHBondContact OE1-NE2 2.58Å |
| 72 | E | 95.5 | Very high | 91.8 | Very high | 87 Ų | 87 | 69.5 Ų | 69.5 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 177.5 | -73.2 | -176.3 | 178 | 0 | 0 | 113.2 | M68 E69 E76 F165 | M68-E72 WeakPolarHBondContact O-CG 3.4Å; M68-E72 PolarHBondContact O-N 3.32Å; E69-E72 PolarHBondContact O-N 2.96Å; E72-E76 PolarHBondContact O-N 2.98Å; E72-F165 HydrophobicContact CB-CZ 4.16Å |
| 73 | R | 95.4 | Very high | 92.2 | Very high | 38 Ų | 38 | 74.5 Ų | 74.5 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 179.4 | -72.9 | 172 | 179.9 | -114.4 | 7.6 | 111.7 | E69 E71 I92 F165 | E69-R73 HydrophobicContact CG-CG 4.41Å; E69-R73 WeakPolarHBondContact O-CB 3.35Å; E69-R73 VanDerWaalsContact O-CG 3.26Å; E69-R73 WeakPolarHBondContact O-CG 3.29Å; E69-R73 PolarHBondContact O-N 3.13Å; E69-R73 IonicContact OE1-CZ 3.64Å; E69-R73 IonicContact OE1-NE 3.7Å; E69-R73 PolarHBondContact OE1-NE 2.86Å; E69-R73 IonicContact OE1-NH2 2.91Å; E69-R73 PolarHBondContact OE1-NH2 3.02Å; E71-R73 PolarHBondContact O-N 2.83Å; R73-I92 HydrophobicContact CB-CD1 3.84Å; R73-F165 HydrophobicContact CB-CD2 4.39Å; R73-F165 HydrophobicContact CG-CB 4.01Å; R73-F165 HydrophobicContact CG-CD1 3.82Å; R73-F165 HydrophobicContact CG-CD2 3.83Å; R73-F165 HydrophobicContact CG-CE1 4.15Å; R73-F165 HydrophobicContact CG-CE2 4.16Å; R73-F165 HydrophobicContact CG-CG 3.63Å; R73-F165 HydrophobicContact CG-CZ 4.3Å |
| 74 | L | 96.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -74.3 | -35.5 | -178.7 | -73.5 | 169 | 0 | 0 | 0 | 111.8 | A70 E71 E76 Q86 A90 I92 S106 K108 V113 L159 | A70-L74 VanDerWaalsContact O-CB 3.26Å; A70-L74 WeakPolarHBondContact O-CB 3.06Å; A70-L74 WeakPolarHBondContact O-CD1 3.49Å; A70-L74 VanDerWaalsContact O-CG 3.28Å; A70-L74 WeakPolarHBondContact O-CG 3.44Å; A70-L74 PolarHBondContact O-N 3.47Å; E71-L74 PolarHBondContact O-N 3.03Å; L74-E76 VanDerWaalsContact C-N 3.3Å; L74-E76 PolarHBondContact O-N 2.84Å; L74-Q86 WeakPolarHBondContact O-CB 3.3Å; L74-A90 HydrophobicContact CD2-CB 4Å; L74-A90 WeakPolarHBondContact CD2-O 3.43Å; L74-I92 HydrophobicContact CD1-CD1 4.46Å; L74-I92 HydrophobicContact CD2-CG1 4.49Å; L74-I92 HydrophobicContact CG-CD1 4.08Å; L74-I92 HydrophobicContact CG-CG1 4.47Å; L74-S106 WeakPolarHBondContact CD1-O 3.14Å; L74-K108 HydrophobicContact CB-CB 4.34Å; L74-K108 HydrophobicContact CD2-CB 4.31Å; L74-K108 WeakPolarHBondContact O-CD 3.24Å; L74-V113 HydrophobicContact CB-CG2 3.86Å; L74-V113 HydrophobicContact CD1-CG1 3.65Å; L74-V113 HydrophobicContact CD1-CG2 4.25Å; L74-L159 HydrophobicContact CD2-CD2 3.59Å |
| 75 | Q | 96.7 | Very high | 93.7 | Very high | 37 Ų | 37 | 69.7 Ų | 69.7 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 12.7 | 179 | -62.3 | -62.8 | -24.4 | 0 | 0 | 113.7 | E71 I77 H84 E112 V113 | E71-Q75 VanDerWaalsContact O-CB 3.28Å; E71-Q75 WeakPolarHBondContact O-CB 3.45Å; E71-Q75 WeakPolarHBondContact O-CG 3.5Å; E71-Q75 PolarHBondContact O-N 3.15Å; Q75-I77 PolarHBondContact O-N 3.17Å; Q75-H84 PolarHBondContact O-ND1 3.35Å; Q75-H84 PolarHBondContact OE1-CE1 3.45Å; Q75-H84 PolarHBondContact OE1-ND1 3.28Å; Q75-E112 PolarHBondContact NE2-O 3.24Å; Q75-V113 HydrophobicContact CG-CG2 3.75Å |
| 76 | E | 95.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 69.9 Ų | 69.9 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 132.4 | 177.7 | -176.5 | 173.8 | -174.1 | 0 | 0 | 111.3 | E72 L74 H84 L85 S162 R164 | E72-E76 PolarHBondContact O-N 2.98Å; L74-E76 VanDerWaalsContact C-N 3.3Å; L74-E76 PolarHBondContact O-N 2.84Å; E76-H84 WeakPolarHBondContact O-CA 3.45Å; E76-L85 HydrophobicContact CB-CB 4.35Å; E76-L85 HydrophobicContact CB-CD2 4.5Å; E76-L85 HydrophobicContact CG-CB 4.32Å; E76-L85 HydrophobicContact CG-CD2 4.11Å; E76-L85 PolarHBondContact O-N 3.05Å; E76-L85 WeakPolarHBondContact OE2-CD2 3.2Å; E76-S162 PolarHBondContact OE1-OG 2.9Å; E76-S162 WeakPolarHBondContact OE2-CB 3.25Å; E76-S162 PolarHBondContact OE2-OG 3.02Å; E76-R164 WeakPolarHBondContact OE1-CB 3.14Å |
| 77 | I | 94.9 | Very high | 94.4 | Very high | 78 Ų | 78 | 70.9 Ų | 70.9 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -99.7 | 125.8 | 173.6 | -58.8 | -60.4 | 0 | 0 | 0 | 108 | Q75 Q79 Q83 H84 | Q75-I77 PolarHBondContact O-N 3.17Å; I77-Q79 PolarHBondContact O-N 2.92Å; I77-Q83 CarbonylContact C-O 3.51Å; I77-Q83 WeakPolarHBondContact CA-O 3.21Å; I77-H84 HydrophobicContact CD1-CB 4.44Å; I77-H84 WeakPolarHBondContact CD1-ND1 3.36Å |
| 78 | D | 91.1 | Very high | 94.5 | Very high | 42 Ų | 42 | 67.8 Ų | 67.8 | 23% | 0.225 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -68 | 124.7 | 171.9 | 177 | -84.6 | 0 | 0 | 0 | 109.6 | E80 T81 A82 Q83 L85 | D78-E80 VanDerWaalsContact C-N 3.28Å; D78-E80 PolarHBondContact O-N 2.78Å; D78-E80 WeakPolarHBondContact OD1-CB 3.31Å; D78-E80 PolarHBondContact OD1-N 2.85Å; D78-T81 WeakPolarHBondContact CB-OG1 3.23Å; D78-T81 PolarHBondContact OD1-N 3.48Å; D78-T81 PolarHBondContact OD1-OG1 3.24Å; D78-A82 VanDerWaalsContact O-CA 3.29Å; D78-A82 WeakPolarHBondContact O-CA 3.23Å; D78-A82 PolarHBondContact O-N 3.28Å; D78-Q83 PolarHBondContact N-O 3.22Å; D78-L85 HydrophobicContact CB-CB 4.39Å; D78-L85 HydrophobicContact CB-CD1 4.35Å |
| 79 | Q | 90.5 | Very high | 94.7 | Very high | 192 Ų | 192 | 61.9 Ų | 61.9 | 90% | 0.897 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -24 | -173.1 | -67.7 | -175 | -10.4 | 0 | 0 | 113.3 | I77 | I77-Q79 PolarHBondContact O-N 2.92Š|
| 80 | E | 91.3 | Very high | 94.8 | Very high | 157 Ų | 157 | 59.4 Ų | 59.4 | 73% | 0.734 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -37.8 | -177.4 | -63.9 | 175.2 | -158.5 | 0 | 0 | 110.7 | D78 K163 | D78-E80 VanDerWaalsContact C-N 3.28Å; D78-E80 PolarHBondContact O-N 2.78Å; D78-E80 WeakPolarHBondContact OD1-CB 3.31Å; D78-E80 PolarHBondContact OD1-N 2.85Å; E80-K163 IonicContact OE1-NZ 2.84Å; E80-K163 PolarHBondContact OE1-NZ 3.32Å |
| 81 | T | 93.2 | Very high | 94.9 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -14.4 | -175.3 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | D78 Q83 | D78-T81 WeakPolarHBondContact CB-OG1 3.23Å; D78-T81 PolarHBondContact OD1-N 3.48Å; D78-T81 PolarHBondContact OD1-OG1 3.24Å; T81-Q83 PolarHBondContact O-N 3.26Å; T81-Q83 PolarHBondContact OG1-N 2.91Å |
| 82 | A | 93.1 | Very high | 94.9 | Very high | 82 Ų | 82 | 56.2 Ų | 56.2 | 68% | 0.678 | 29% | 0.292 | S | S | * | . | trans | 55.7 | 23.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | D78 | D78-A82 VanDerWaalsContact O-CA 3.29Å; D78-A82 WeakPolarHBondContact O-CA 3.23Å; D78-A82 PolarHBondContact O-N 3.28Å | ||
| 83 | Q | 94 | Very high | 94.8 | Very high | 137 Ų | 137 | 52.2 Ų | 52.2 | 64% | 0.64 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -109.6 | 163.6 | 176.5 | -66.1 | -177 | 21.6 | 0 | 0 | 110.8 | I77 D78 T81 L85 | I77-Q83 CarbonylContact C-O 3.51Å; I77-Q83 WeakPolarHBondContact CA-O 3.21Å; D78-Q83 PolarHBondContact N-O 3.22Å; T81-Q83 PolarHBondContact O-N 3.26Å; T81-Q83 PolarHBondContact OG1-N 2.91Å; Q83-L85 PolarHBondContact O-N 2.78Å |
| 84 | H | 95.5 | Very high | 94.5 | Very high | 70 Ų | 70 | 50.8 Ų | 50.8 | 32% | 0.324 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -60.2 | 127.6 | 170.5 | -74.6 | -75.7 | 0 | 0 | 0 | 110.6 | Q75 E76 I77 K108 | Q75-H84 PolarHBondContact O-ND1 3.35Å; Q75-H84 PolarHBondContact OE1-CE1 3.45Å; Q75-H84 PolarHBondContact OE1-ND1 3.28Å; E76-H84 WeakPolarHBondContact O-CA 3.45Å; I77-H84 HydrophobicContact CD1-CB 4.44Å; I77-H84 WeakPolarHBondContact CD1-ND1 3.36Å; H84-K108 VanDerWaalsContact CG-NZ 3.26Å; H84-K108 PolarHBondContact ND1-NZ 3.13Å |
| 85 | L | 95.5 | Very high | 94 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -66.7 | -43.2 | 177.4 | 178.1 | 66.2 | 0 | 0 | 0 | 111.1 | E76 D78 Q83 V160 | E76-L85 HydrophobicContact CB-CB 4.35Å; E76-L85 HydrophobicContact CB-CD2 4.5Å; E76-L85 HydrophobicContact CG-CB 4.32Å; E76-L85 HydrophobicContact CG-CD2 4.11Å; E76-L85 PolarHBondContact O-N 3.05Å; E76-L85 WeakPolarHBondContact OE2-CD2 3.2Å; D78-L85 HydrophobicContact CB-CB 4.39Å; D78-L85 HydrophobicContact CB-CD1 4.35Å; Q83-L85 PolarHBondContact O-N 2.78Å; L85-V160 HydrophobicContact CD1-CG1 4.05Å; L85-V160 HydrophobicContact CG-CG1 4.4Å |
| 86 | Q | 95.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -86.9 | 138.5 | -176.9 | -57.6 | -59.4 | -27.5 | 0 | 0 | 110.9 | L74 A90 K108 L159 V160 | L74-Q86 WeakPolarHBondContact O-CB 3.3Å; Q86-A90 HydrophobicContact CB-CB 3.82Å; Q86-K108 HydrophobicContact CB-CD 3.84Å; Q86-K108 VanDerWaalsContact O-CD 3.28Å; Q86-K108 WeakPolarHBondContact O-CD 3.49Å; Q86-K108 WeakPolarHBondContact O-CE 3.44Å; Q86-L159 HydrophobicContact CG-CD2 4.37Å; Q86-V160 PolarHBondContact NE2-O 3.25Å |
| 87 | P | 95.9 | Very high | 92.8 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 164.1 | 173.1 | 31.1 | -36.4 | 0 | 0 | 0 | 112.5 | G89 A90 V157 | P87-G89 PolarHBondContact O-N 2.84Å; P87-A90 HydrophobicContact CG-CB 4.24Å; P87-A90 WeakPolarHBondContact O-CB 3.49Å; P87-A90 PolarHBondContact O-N 2.8Å; P87-A90 VanDerWaalsContact O-N 3.11Å; P87-V157 HydrophobicContact CG-CG2 3.75Å |
| 88 | D | 96 | Very high | 91.8 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 136.2 | 166.2 | -83.8 | 4.2 | 0 | 0 | 0 | 110.3 | A90 G110 R152 L154 | D88-A90 VanDerWaalsContact C-N 3.29Å; D88-G110 PolarHBondContact OD1-N 2.85Å; D88-G110 PolarHBondContact OD2-N 3.37Å; D88-R152 IonicContact OD2-NH1 3.99Å; D88-R152 IonicContact OD2-NH2 3.93Å; D88-L154 HydrophobicContact CB-CD1 4.26Å |
| 89 | G | 96.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | -9.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P87 F91 K108 T155 L156 V157 | P87-G89 PolarHBondContact O-N 2.84Å; G89-F91 PolarHBondContact O-N 3.19Å; G89-K108 PolarHBondContact N-O 3.47Å; G89-T155 VanDerWaalsContact CA-O 3.29Å; G89-T155 WeakPolarHBondContact CA-O 3.39Å; G89-L156 WeakPolarHBondContact O-CA 3.32Å; G89-V157 PolarHBondContact O-N 3.18Å |
| 90 | A | 96.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -56.6 | 136.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L74 Q86 P87 D88 V107 K108 V157 L159 | L74-A90 HydrophobicContact CD2-CB 4Å; L74-A90 WeakPolarHBondContact CD2-O 3.43Å; Q86-A90 HydrophobicContact CB-CB 3.82Å; P87-A90 HydrophobicContact CG-CB 4.24Å; P87-A90 WeakPolarHBondContact O-CB 3.49Å; P87-A90 PolarHBondContact O-N 2.8Å; P87-A90 VanDerWaalsContact O-N 3.11Å; D88-A90 VanDerWaalsContact C-N 3.29Å; A90-V107 CarbonylContact O-C 3.57Å; A90-V107 WeakPolarHBondContact O-CA 3.36Å; A90-K108 HydrophobicContact CB-CB 4.4Å; A90-K108 PolarHBondContact O-N 2.84Å; A90-V157 WeakPolarHBondContact CA-O 3.17Å; A90-V157 HydrophobicContact CB-CG2 4.36Å; A90-L159 HydrophobicContact CB-CD2 4.26Å |
| 91 | F | 97.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 157.4 | -170.7 | 74.5 | -82.6 | 0 | 0 | 0 | 115 | W60 G89 L105 S106 V107 I140 L156 V157 | W60-F91 HydrophobicContact CB-CD2 4Å; W60-F91 HydrophobicContact CB-CE1 4.4Å; W60-F91 HydrophobicContact CB-CE2 3.3Å; W60-F91 HydrophobicContact CB-CZ 3.53Å; W60-F91 AromaticContact CD1-CZ 3.91Å; W60-F91 AromaticContact CD2-CE2 3.96Å; W60-F91 HydrophobicContact CD2-CE2 3.96Å; W60-F91 HydrophobicContact CD2-CZ 4.27Å; W60-F91 HydrophobicContact CE3-CE2 4.27Å; W60-F91 AromaticContact CG-CE2 3.57Å; W60-F91 HydrophobicContact CG-CE2 3.57Å; W60-F91 AromaticContact CG-CZ 3.61Å; W60-F91 HydrophobicContact CG-CZ 3.61Å; G89-F91 PolarHBondContact O-N 3.19Å; F91-L105 HydrophobicContact CB-CD1 4.46Å; F91-L105 HydrophobicContact CB-CG 4.48Å; F91-L105 HydrophobicContact CD2-CD1 3.45Å; F91-L105 VanDerWaalsContact CD2-CD1 3.45Å; F91-L105 HydrophobicContact CD2-CG 4.31Å; F91-L105 HydrophobicContact CE2-CD1 4.07Å; F91-L105 HydrophobicContact CG-CD1 4.29Å; F91-S106 CarbonylContact C-O 3.54Å; F91-S106 WeakPolarHBondContact CA-O 2.84Å; F91-S106 WeakPolarHBondContact CB-O 3.44Å; F91-V107 HydrophobicContact CB-CB 4.47Å; F91-V107 HydrophobicContact CB-CG1 4.47Å; F91-V107 HydrophobicContact CB-CG2 3.98Å; F91-I140 HydrophobicContact CD2-CD1 4.3Å; F91-I140 HydrophobicContact CE1-CG2 4.44Å; F91-I140 HydrophobicContact CE2-CD1 3.71Å; F91-I140 HydrophobicContact CE2-CG1 4.32Å; F91-I140 HydrophobicContact CE2-CG2 3.93Å; F91-I140 HydrophobicContact CZ-CD1 4.34Å; F91-I140 HydrophobicContact CZ-CG2 3.5Å; F91-L156 HydrophobicContact CB-CD2 4.07Å; F91-L156 HydrophobicContact CD1-CB 3.64Å; F91-L156 HydrophobicContact CD1-CD1 4.41Å; F91-L156 HydrophobicContact CD1-CD2 4.04Å; F91-L156 HydrophobicContact CD1-CG 4.22Å; F91-L156 HydrophobicContact CE1-CB 3.66Å; F91-L156 HydrophobicContact CE1-CD1 4.45Å; F91-L156 HydrophobicContact CG-CB 4.42Å; F91-L156 HydrophobicContact CG-CD1 4.48Å; F91-L156 HydrophobicContact CG-CD2 4.06Å; F91-L156 HydrophobicContact CZ-CB 4.41Å; F91-L156 HydrophobicContact CZ-CD1 4.5Å; F91-V157 WeakPolarHBondContact CD1-O 3.2Å; F91-V157 WeakPolarHBondContact CE1-O 3.23Å; F91-V157 PolarHBondContact N-O 2.77Å |
| 92 | I | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 125 | 171.7 | -66.8 | 167.7 | 0 | 0 | 0 | 108.2 | W60 I62 C65 A70 R73 L74 R94 L105 S106 L159 | W60-I92 WeakPolarHBondContact O-CA 3.45Å; I62-I92 HydrophobicContact CB-CG2 4.14Å; I62-I92 HydrophobicContact CD1-CD1 4Å; I62-I92 HydrophobicContact CD1-CG1 4.04Å; I62-I92 HydrophobicContact CD1-CG2 3.89Å; I62-I92 HydrophobicContact CG1-CG2 4.17Å; C65-I92 HydrophobicContact CB-CG2 4.33Å; A70-I92 HydrophobicContact CB-CD1 4.33Å; R73-I92 HydrophobicContact CB-CD1 3.84Å; L74-I92 HydrophobicContact CD1-CD1 4.46Å; L74-I92 HydrophobicContact CD2-CG1 4.49Å; L74-I92 HydrophobicContact CG-CD1 4.08Å; L74-I92 HydrophobicContact CG-CG1 4.47Å; I92-R94 HydrophobicContact CG2-CB 4.39Å; I92-L105 WeakPolarHBondContact O-CA 3.22Å; I92-S106 PolarHBondContact N-O 2.76Å; I92-S106 PolarHBondContact O-N 2.84Å; I92-L159 HydrophobicContact CD1-CD1 4.31Å; I92-L159 HydrophobicContact CG1-CD1 3.84Å; I92-L159 HydrophobicContact CG1-CD2 4.25Å; I92-L159 HydrophobicContact CG1-CG 4.47Å |
| 93 | L | 93.8 | Very high | 87.8 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 130.5 | 161.5 | -168.5 | 81.8 | 0 | 0 | 0 | 109.1 | W60 Y61 I62 F103 L105 V118 I136 | W60-L93 HydrophobicContact CE3-CB 3.76Å; W60-L93 HydrophobicContact CE3-CD2 4.17Å; W60-L93 HydrophobicContact CZ3-CB 4.06Å; W60-L93 HydrophobicContact CZ3-CD2 3.57Å; W60-L93 HydrophobicContact CZ3-CG 4.44Å; W60-L93 PolarHBondContact O-N 2.76Å; Y61-L93 WeakPolarHBondContact CA-O 3.38Å; Y61-L93 HydrophobicContact CD2-CB 4.08Å; Y61-L93 HydrophobicContact CD2-CD2 3.75Å; Y61-L93 HydrophobicContact CD2-CG 4.05Å; Y61-L93 VanDerWaalsContact CD2-O 3.32Å; Y61-L93 WeakPolarHBondContact CD2-O 3.37Å; Y61-L93 HydrophobicContact CE2-CD2 4.31Å; I62-L93 PolarHBondContact N-O 2.77Å; L93-F103 HydrophobicContact CD1-CB 4.01Å; L93-F103 HydrophobicContact CD2-CB 4.48Å; L93-F103 HydrophobicContact CD2-CD1 3.93Å; L93-F103 HydrophobicContact CD2-CG 4.37Å; L93-F103 HydrophobicContact CG-CB 4.32Å; L93-F103 HydrophobicContact CG-CD1 4.27Å; L93-L105 HydrophobicContact CB-CD1 4.08Å; L93-L105 HydrophobicContact CD1-CB 4.31Å; L93-L105 HydrophobicContact CD1-CD1 3.73Å; L93-V118 HydrophobicContact CD1-CG2 3.93Å; L93-I136 HydrophobicContact CD1-CG2 4.3Å; L93-I136 HydrophobicContact CD2-CD1 4.3Å; L93-I136 HydrophobicContact CD2-CG2 3.54Å |
| 94 | R | 89.9 | Confident | 87.9 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 163 | -179.1 | 63.8 | -173.8 | -176.7 | 90.8 | -2.4 | 111.2 | C65 R67 I92 E97 F103 S104 S106 | C65-R94 HydrophobicContact CB-CB 3.94Å; C65-R94 WeakPolarHBondContact O-CB 3.45Å; C65-R94 VanDerWaalsContact O-CD 3.28Å; C65-R94 WeakPolarHBondContact O-CD 3.42Å; R67-R94 VanDerWaalsContact CB-NH2 3.35Å; I92-R94 HydrophobicContact CG2-CB 4.39Å; R94-E97 IonicContact CZ-OE2 3.01Å; R94-E97 VanDerWaalsContact NH1-CD 3.26Å; R94-E97 IonicContact NH1-OE1 3.38Å; R94-E97 IonicContact NH1-OE2 3.04Å; R94-E97 PolarHBondContact NH1-OE2 2.78Å; R94-E97 IonicContact NH2-OE2 3.81Å; R94-F103 CarbonylContact O-C 3.58Å; R94-F103 WeakPolarHBondContact O-CA 3.4Å; R94-S104 WeakPolarHBondContact CG-O 3.48Å; R94-S104 PolarHBondContact N-O 3.15Å; R94-S104 PolarHBondContact O-N 2.76Å; R94-S106 PolarHBondContact NE-OG 2.79Å; R94-S106 VanDerWaalsContact NE-OG 3.14Å |
| 95 | Q | 86.2 | Confident | 87.9 | Confident | 57 Ų | 57 | 38.4 Ų | 38.4 | 27% | 0.266 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 142.1 | 169.5 | -169.6 | 168.3 | 3.1 | 0 | 0 | 110.1 | R63 G100 | R63-Q95 WeakPolarHBondContact O-CB 3.43Å; R63-Q95 PolarHBondContact O-N 3.45Å; R63-Q95 VanDerWaalsContact O-N 3.12Å; Q95-G100 PolarHBondContact NE2-O 2.72Å |
| 96 | S | 84.7 | Confident | 88 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | trans | -68.9 | 130.1 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 111 | D99 G100 G102 | S96-D99 VanDerWaalsContact CB-OD1 3.26Å; S96-D99 WeakPolarHBondContact CB-OD1 3.29Å; S96-D99 PolarHBondContact OG-OD1 3.34Å; S96-G100 WeakPolarHBondContact O-CA 3.5Å; S96-G100 PolarHBondContact O-N 2.84Å; S96-G102 PolarHBondContact N-O 2.87Å | ||
| 97 | E | 82.7 | Confident | 88.1 | Confident | 107 Ų | 107 | 36.5 Ų | 36.5 | 50% | 0.5 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -21.3 | 176.6 | -71.1 | 160.6 | 149.7 | 0 | 0 | 113.1 | S66 R67 R94 D99 | S66-E97 WeakPolarHBondContact CA-OE1 3.34Å; S66-E97 WeakPolarHBondContact CB-OE1 3.48Å; R67-E97 WeakPolarHBondContact CB-OE2 3.47Å; R67-E97 PolarHBondContact N-OE1 3.49Å; R67-E97 PolarHBondContact N-OE2 2.78Å; R94-E97 IonicContact CZ-OE2 3.01Å; R94-E97 VanDerWaalsContact NH1-CD 3.26Å; R94-E97 IonicContact NH1-OE1 3.38Å; R94-E97 IonicContact NH1-OE2 3.04Å; R94-E97 PolarHBondContact NH1-OE2 2.78Å; R94-E97 IonicContact NH2-OE2 3.81Å; E97-D99 VanDerWaalsContact C-N 3.32Å; E97-D99 PolarHBondContact O-N 2.88Å |
| 98 | A | 73.3 | Confident | 88.1 | Confident | 92 Ų | 92 | 34 Ų | 34 | 76% | 0.76 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -27.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 99 | D | 66.4 | Low | 88.1 | Confident | 74 Ų | 74 | 32.7 Ų | 32.7 | 40% | 0.396 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -143.1 | -5 | -169.6 | 38.8 | 11.3 | 0 | 0 | 0 | 112.7 | S96 E97 K101 K117 | S96-D99 VanDerWaalsContact CB-OD1 3.26Å; S96-D99 WeakPolarHBondContact CB-OD1 3.29Å; S96-D99 PolarHBondContact OG-OD1 3.34Å; E97-D99 VanDerWaalsContact C-N 3.32Å; E97-D99 PolarHBondContact O-N 2.88Å; D99-K101 VanDerWaalsContact CG-O 3.29Å; D99-K101 PolarHBondContact O-N 2.94Å; D99-K117 IonicContact OD2-NZ 3.36Å; D99-K117 PolarHBondContact OD2-NZ 2.91Å |
| 100 | G | 61.6 | Low | 87.9 | Confident | 39 Ų | 39 | 34.1 Ų | 34.1 | 40% | 0.402 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 60.6 | 0.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q95 S96 | Q95-G100 PolarHBondContact NE2-O 2.72Å; S96-G100 WeakPolarHBondContact O-CA 3.5Å; S96-G100 PolarHBondContact O-N 2.84Å |
| 101 | K | 70.5 | Confident | 87.8 | Confident | 170 Ų | 170 | 39 Ų | 39 | 74% | 0.739 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -121 | 123.4 | -174.8 | -69.3 | -174.5 | 179.4 | -175.3 | 0 | 108.5 | D99 | D99-K101 VanDerWaalsContact CG-O 3.29Å; D99-K101 PolarHBondContact O-N 2.94Å |
| 102 | G | 85.2 | Confident | 87.7 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 37% | 0.371 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 92.8 | -167.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S96 | S96-G102 PolarHBondContact N-O 2.87Š|
| 103 | F | 92 | Very high | 87.7 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 151.6 | -165.9 | -58.7 | -89.2 | 0 | 0 | 0 | 111.9 | Y61 L93 R94 V118 I136 | Y61-F103 AromaticContact CE2-CD1 3.85Å; Y61-F103 HydrophobicContact CE2-CD1 3.85Å; Y61-F103 AromaticContact CE2-CE1 3.65Å; Y61-F103 HydrophobicContact CE2-CE1 3.65Å; Y61-F103 AromaticContact CZ-CE1 3.9Å; L93-F103 HydrophobicContact CD1-CB 4.01Å; L93-F103 HydrophobicContact CD2-CB 4.48Å; L93-F103 HydrophobicContact CD2-CD1 3.93Å; L93-F103 HydrophobicContact CD2-CG 4.37Å; L93-F103 HydrophobicContact CG-CB 4.32Å; L93-F103 HydrophobicContact CG-CD1 4.27Å; R94-F103 CarbonylContact O-C 3.58Å; R94-F103 WeakPolarHBondContact O-CA 3.4Å; F103-V118 HydrophobicContact CB-CB 4.02Å; F103-V118 HydrophobicContact CB-CG2 3.87Å; F103-V118 WeakPolarHBondContact O-CB 3.18Å; F103-V118 PolarHBondContact O-N 2.92Å; F103-I136 HydrophobicContact CB-CD1 4.43Å; F103-I136 HydrophobicContact CD1-CD1 4.18Å; F103-I136 HydrophobicContact CD2-CD1 3.26Å; F103-I136 HydrophobicContact CE1-CD1 4.26Å; F103-I136 HydrophobicContact CE2-CD1 3.38Å; F103-I136 HydrophobicContact CG-CD1 3.7Å; F103-I136 HydrophobicContact CZ-CD1 3.89Å |
| 104 | S | 94.7 | Very high | 87.8 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 139.9 | 169.9 | -69 | 0 | 0 | 0 | 0 | 109.5 | R94 F116 | R94-S104 WeakPolarHBondContact CG-O 3.48Å; R94-S104 PolarHBondContact N-O 3.15Å; R94-S104 PolarHBondContact O-N 2.76Å; S104-F116 CarbonylContact C-O 3.45Å; S104-F116 WeakPolarHBondContact CA-O 3.44Å |
| 105 | L | 96 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 124.9 | 173.9 | -164.8 | 81.1 | 0 | 0 | 0 | 108.8 | F91 I92 L93 V107 H115 F116 F128 I140 I148 L156 | F91-L105 HydrophobicContact CB-CD1 4.46Å; F91-L105 HydrophobicContact CB-CG 4.48Å; F91-L105 HydrophobicContact CD2-CD1 3.45Å; F91-L105 VanDerWaalsContact CD2-CD1 3.45Å; F91-L105 HydrophobicContact CD2-CG 4.31Å; F91-L105 HydrophobicContact CE2-CD1 4.07Å; F91-L105 HydrophobicContact CG-CD1 4.29Å; I92-L105 WeakPolarHBondContact O-CA 3.22Å; L93-L105 HydrophobicContact CB-CD1 4.08Å; L93-L105 HydrophobicContact CD1-CB 4.31Å; L93-L105 HydrophobicContact CD1-CD1 3.73Å; L105-V107 HydrophobicContact CD2-CG2 3.55Å; L105-V107 HydrophobicContact CG-CG2 3.87Å; L105-H115 CarbonylContact O-C 3.5Å; L105-H115 WeakPolarHBondContact O-CA 3.21Å; L105-F116 HydrophobicContact CB-CB 4.34Å; L105-F116 PolarHBondContact N-O 3.16Å; L105-F116 PolarHBondContact O-N 2.86Å; L105-F128 HydrophobicContact CB-CE1 3.96Å; L105-F128 HydrophobicContact CB-CZ 3.64Å; L105-F128 HydrophobicContact CD2-CE2 3.91Å; L105-F128 HydrophobicContact CD2-CZ 3.61Å; L105-F128 HydrophobicContact CG-CZ 4.14Å; L105-I140 HydrophobicContact CD1-CD1 3.58Å; L105-I140 HydrophobicContact CD2-CD1 4.42Å; L105-I148 HydrophobicContact CD2-CD1 3.39Å; L105-L156 HydrophobicContact CD2-CD1 3.91Å; L105-L156 HydrophobicContact CD2-CD2 3.88Å |
| 106 | S | 97.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.2 | 174.3 | -47.9 | 0 | 0 | 0 | 0 | 107.9 | L74 F91 I92 R94 L114 H115 | L74-S106 WeakPolarHBondContact CD1-O 3.14Å; F91-S106 CarbonylContact C-O 3.54Å; F91-S106 WeakPolarHBondContact CA-O 2.84Å; F91-S106 WeakPolarHBondContact CB-O 3.44Å; I92-S106 PolarHBondContact N-O 2.76Å; I92-S106 PolarHBondContact O-N 2.84Å; R94-S106 PolarHBondContact NE-OG 2.79Å; R94-S106 VanDerWaalsContact NE-OG 3.14Å; S106-L114 CarbonylContact C-O 3.59Å; S106-L114 WeakPolarHBondContact CA-O 3.47Å; S106-H115 WeakPolarHBondContact CB-ND1 3.23Å; S106-H115 PolarHBondContact OG-ND1 2.75Å |
| 107 | V | 97.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.6 | -171.1 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | A90 F91 L105 V113 L114 F116 I148 L154 L156 | A90-V107 CarbonylContact O-C 3.57Å; A90-V107 WeakPolarHBondContact O-CA 3.36Å; F91-V107 HydrophobicContact CB-CB 4.47Å; F91-V107 HydrophobicContact CB-CG1 4.47Å; F91-V107 HydrophobicContact CB-CG2 3.98Å; L105-V107 HydrophobicContact CD2-CG2 3.55Å; L105-V107 HydrophobicContact CG-CG2 3.87Å; V107-V113 CarbonylContact O-C 3.6Å; V107-V113 WeakPolarHBondContact O-CA 3.45Å; V107-L114 PolarHBondContact N-O 3.25Å; V107-L114 PolarHBondContact O-N 2.82Å; V107-F116 HydrophobicContact CB-CE2 4.1Å; V107-F116 HydrophobicContact CG2-CD2 3.88Å; V107-F116 HydrophobicContact CG2-CE2 3.76Å; V107-I148 HydrophobicContact CG2-CD1 4.46Å; V107-L154 HydrophobicContact CG1-CD2 3.89Å; V107-L154 HydrophobicContact CG1-CG 4.3Å; V107-L156 HydrophobicContact CG1-CD2 4.05Å; V107-L156 HydrophobicContact CG2-CD2 3.85Å |
| 108 | K | 97 | Very high | 89.4 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 135.4 | 174.9 | 176 | 167.5 | 176.5 | 61 | 0 | 111.5 | L74 H84 Q86 G89 A90 G110 | L74-K108 HydrophobicContact CB-CB 4.34Å; L74-K108 HydrophobicContact CD2-CB 4.31Å; L74-K108 WeakPolarHBondContact O-CD 3.24Å; H84-K108 VanDerWaalsContact CG-NZ 3.26Å; H84-K108 PolarHBondContact ND1-NZ 3.13Å; Q86-K108 HydrophobicContact CB-CD 3.84Å; Q86-K108 VanDerWaalsContact O-CD 3.28Å; Q86-K108 WeakPolarHBondContact O-CD 3.49Å; Q86-K108 WeakPolarHBondContact O-CE 3.44Å; G89-K108 PolarHBondContact N-O 3.47Å; A90-K108 HydrophobicContact CB-CB 4.4Å; A90-K108 PolarHBondContact O-N 2.84Å; K108-G110 PolarHBondContact NZ-O 3.17Å |
| 109 | Q | 95.2 | Very high | 90.4 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 16% | 0.159 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 111.3 | 167.1 | 179.7 | 176.6 | 62.5 | 0 | 0 | 110 | C111 E112 L114 L154 | Q109-C111 PolarHBondContact O-N 3.26Å; Q109-E112 PolarHBondContact N-O 2.97Å; Q109-E112 PolarHBondContact O-N 3.18Å; Q109-E112 VanDerWaalsContact O-O 3.13Å; Q109-L114 HydrophobicContact CB-CD1 4.31Å; Q109-L114 HydrophobicContact CB-CG 4.36Å; Q109-L154 HydrophobicContact CB-CD1 4.48Å; Q109-L154 HydrophobicContact CB-CD2 4.2Å |
| 110 | G | 93 | Very high | 91.6 | Very high | 30 Ų | 30 | 49.4 Ų | 49.4 | 31% | 0.309 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | -132.2 | -173 | 0 | 0 | 0 | 0 | 0 | 110.4 | D88 K108 E112 | D88-G110 PolarHBondContact OD1-N 2.85Å; D88-G110 PolarHBondContact OD2-N 3.37Å; K108-G110 PolarHBondContact NZ-O 3.17Å; G110-E112 PolarHBondContact O-N 3.25Å |
| 111 | C | 93.9 | Very high | 93.1 | Very high | 103 Ų | 103 | 49.3 Ų | 49.3 | 70% | 0.696 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 8.2 | 178.6 | -53 | 0 | 0 | 0 | 0 | 113.6 | Q109 | Q109-C111 PolarHBondContact O-N 3.26Š|
| 112 | E | 94.9 | Very high | 94 | Very high | 136 Ų | 136 | 51.3 Ų | 51.3 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 161 | -176.3 | -61.4 | -172.3 | 118.9 | 0 | 0 | 111.7 | Q75 Q109 G110 | Q75-E112 PolarHBondContact NE2-O 3.24Å; Q109-E112 PolarHBondContact N-O 2.97Å; Q109-E112 PolarHBondContact O-N 3.18Å; Q109-E112 VanDerWaalsContact O-O 3.13Å; G110-E112 PolarHBondContact O-N 3.25Å |
| 113 | V | 96.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.9 | 171.5 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | E71 L74 Q75 V107 | E71-V113 HydrophobicContact CB-CG2 4.49Å; E71-V113 HydrophobicContact CG-CB 4Å; E71-V113 HydrophobicContact CG-CG1 4.34Å; E71-V113 HydrophobicContact CG-CG2 4.28Å; L74-V113 HydrophobicContact CB-CG2 3.86Å; L74-V113 HydrophobicContact CD1-CG1 3.65Å; L74-V113 HydrophobicContact CD1-CG2 4.25Å; Q75-V113 HydrophobicContact CG-CG2 3.75Å; V107-V113 CarbonylContact O-C 3.6Å; V107-V113 WeakPolarHBondContact O-CA 3.45Å |
| 114 | L | 96 | Very high | 94 | Very high | 46 Ų | 46 | 52.4 Ų | 52.4 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 140.8 | 173.4 | -57.9 | -177.5 | 0 | 0 | 0 | 109.4 | S106 V107 Q109 F116 L154 | S106-L114 CarbonylContact C-O 3.59Å; S106-L114 WeakPolarHBondContact CA-O 3.47Å; V107-L114 PolarHBondContact N-O 3.25Å; V107-L114 PolarHBondContact O-N 2.82Å; Q109-L114 HydrophobicContact CB-CD1 4.31Å; Q109-L114 HydrophobicContact CB-CG 4.36Å; L114-F116 HydrophobicContact CB-CE2 3.64Å; L114-F116 HydrophobicContact CB-CZ 3.86Å; L114-F116 HydrophobicContact CD1-CE2 4.34Å; L114-F116 HydrophobicContact CD1-CZ 3.89Å; L114-L154 HydrophobicContact CD1-CD2 4.09Å |
| 115 | H | 95.2 | Very high | 93.8 | Very high | 49 Ų | 49 | 55 Ų | 55 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.6 | 175.3 | -55.8 | -79.8 | 0 | 0 | 0 | 110.8 | R67 E71 L105 S106 | R67-H115 PolarHBondContact NE-CD2 2.73Å; R67-H115 PolarHBondContact NE-NE2 3.15Å; R67-H115 PolarHBondContact NH2-CD2 3.24Å; E71-H115 IonicContact OE1-CE1 2.76Å; E71-H115 IonicContact OE1-NE2 2.8Å; E71-H115 PolarHBondContact OE1-NE2 2.58Å; L105-H115 CarbonylContact O-C 3.5Å; L105-H115 WeakPolarHBondContact O-CA 3.21Å; S106-H115 WeakPolarHBondContact CB-ND1 3.23Å; S106-H115 PolarHBondContact OG-ND1 2.75Å |
| 116 | F | 94.3 | Very high | 93.7 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 123.1 | 178.5 | -54.4 | -88.8 | 0 | 0 | 0 | 109.2 | S104 L105 V107 L114 V118 F128 W129 I148 | S104-F116 CarbonylContact C-O 3.45Å; S104-F116 WeakPolarHBondContact CA-O 3.44Å; L105-F116 HydrophobicContact CB-CB 4.34Å; L105-F116 PolarHBondContact N-O 3.16Å; L105-F116 PolarHBondContact O-N 2.86Å; V107-F116 HydrophobicContact CB-CE2 4.1Å; V107-F116 HydrophobicContact CG2-CD2 3.88Å; V107-F116 HydrophobicContact CG2-CE2 3.76Å; L114-F116 HydrophobicContact CB-CE2 3.64Å; L114-F116 HydrophobicContact CB-CZ 3.86Å; L114-F116 HydrophobicContact CD1-CE2 4.34Å; L114-F116 HydrophobicContact CD1-CZ 3.89Å; F116-V118 PolarHBondContact O-N 3.5Å; F116-F128 HydrophobicContact CB-CD1 3.62Å; F116-F128 HydrophobicContact CB-CE1 3.56Å; F116-F128 HydrophobicContact CB-CG 4.44Å; F116-F128 HydrophobicContact CB-CZ 4.35Å; F116-W129 HydrophobicContact CD1-CH2 4.48Å; F116-W129 HydrophobicContact CD1-CZ2 4.03Å; F116-W129 HydrophobicContact CE1-CH2 4.44Å; F116-W129 AromaticContact CE1-CZ2 3.86Å; F116-W129 HydrophobicContact CE1-CZ2 3.86Å; F116-I148 HydrophobicContact CD2-CD1 3.84Å; F116-I148 HydrophobicContact CE1-CG1 4.41Å; F116-I148 HydrophobicContact CE2-CD1 4.02Å; F116-I148 HydrophobicContact CE2-CG1 4.38Å; F116-I148 HydrophobicContact CE2-CG2 4.2Å; F116-I148 HydrophobicContact CG-CD1 4.11Å; F116-I148 HydrophobicContact CZ-CD1 4.45Å; F116-I148 HydrophobicContact CZ-CG1 4.33Å; F116-I148 HydrophobicContact CZ-CG2 4.15Å |
| 117 | K | 93 | Very high | 93.6 | Very high | 99 Ų | 99 | 57.4 Ų | 57.4 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 125.8 | 170 | -171.9 | 170.8 | -174.3 | 168.9 | 0 | 108.5 | D99 L119 | D99-K117 IonicContact OD2-NZ 3.36Å; D99-K117 PolarHBondContact OD2-NZ 2.91Å; K117-L119 HydrophobicContact CD-CD2 4.2Å; K117-L119 HydrophobicContact CG-CD2 4.14Å; K117-L119 PolarHBondContact O-N 2.59Å |
| 118 | V | 94.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 117.9 | 169.6 | -176.2 | 0 | 0 | 0 | 0 | 107 | L93 F103 F116 Y126 F128 L139 | L93-V118 HydrophobicContact CD1-CG2 3.93Å; F103-V118 HydrophobicContact CB-CB 4.02Å; F103-V118 HydrophobicContact CB-CG2 3.87Å; F103-V118 WeakPolarHBondContact O-CB 3.18Å; F103-V118 PolarHBondContact O-N 2.92Å; F116-V118 PolarHBondContact O-N 3.5Å; V118-Y126 HydrophobicContact CG1-CD1 3.85Å; V118-Y126 HydrophobicContact CG1-CG 4.44Å; V118-F128 HydrophobicContact CB-CE1 4.26Å; V118-F128 HydrophobicContact CG2-CE1 3.52Å; V118-F128 HydrophobicContact CG2-CZ 3.84Å; V118-L139 HydrophobicContact CG1-CD1 4.28Å |
| 119 | L | 93.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 62.5 Ų | 62.5 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 155.1 | 176.9 | -57.7 | 177.8 | 0 | 0 | 0 | 110 | K117 Y126 F127 | K117-L119 HydrophobicContact CD-CD2 4.2Å; K117-L119 HydrophobicContact CG-CD2 4.14Å; K117-L119 PolarHBondContact O-N 2.59Å; L119-Y126 CarbonylContact O-C 3.46Å; L119-Y126 VanDerWaalsContact O-CA 3.31Å; L119-Y126 WeakPolarHBondContact O-CA 3.45Å; L119-F127 HydrophobicContact CB-CD1 4.3Å; L119-F127 HydrophobicContact CB-CD2 3.98Å; L119-F127 HydrophobicContact CB-CE1 3.95Å; L119-F127 HydrophobicContact CB-CE2 3.64Å; L119-F127 HydrophobicContact CB-CG 4.31Å; L119-F127 HydrophobicContact CB-CZ 3.62Å; L119-F127 WeakPolarHBondContact CB-O 3.29Å; L119-F127 HydrophobicContact CD1-CD2 4.2Å; L119-F127 HydrophobicContact CD1-CE2 3.61Å; L119-F127 HydrophobicContact CD1-CZ 4.2Å; L119-F127 HydrophobicContact CG-CE2 4.26Å; L119-F127 PolarHBondContact N-O 3.1Å; L119-F127 PolarHBondContact O-N 2.79Å |
| 120 | Q | 92 | Very high | 92.9 | Very high | 105 Ų | 105 | 68.9 Ų | 68.9 | 49% | 0.491 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.6 | 174.3 | -161.2 | 176.5 | 23.4 | 0 | 0 | 108.7 | G124 K125 Y126 | Q120-G124 VanDerWaalsContact CG-C 3.48Å; Q120-G124 WeakPolarHBondContact CG-O 3.28Å; Q120-G124 PolarHBondContact NE2-O 3.35Å; Q120-K125 VanDerWaalsContact CA-O 3.28Å; Q120-K125 WeakPolarHBondContact CA-O 3.48Å; Q120-Y126 HydrophobicContact CG-CD1 4.35Å; Q120-Y126 HydrophobicContact CG-CE1 4.2Å; Q120-Y126 PolarHBondContact NE2-OH 2.94Å |
| 121 | D | 92.5 | Very high | 92.9 | Very high | 37 Ų | 37 | 70.5 Ų | 70.5 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | trans | -90.5 | 178.5 | 174.9 | 70.4 | 7.4 | 0 | 0 | 0 | 112.1 | A123 G124 K125 F127 K132 | D121-A123 PolarHBondContact O-N 2.75Å; D121-A123 WeakPolarHBondContact OD1-CA 3.42Å; D121-A123 PolarHBondContact OD1-N 3.35Å; D121-G124 PolarHBondContact O-N 3.04Å; D121-G124 PolarHBondContact OD1-N 3.14Å; D121-G124 VanDerWaalsContact OD1-N 3.1Å; D121-K125 PolarHBondContact N-O 3.06Å; D121-K125 PolarHBondContact OD1-N 2.86Å; D121-F127 HydrophobicContact CB-CE1 3.91Å; D121-K132 VanDerWaalsContact OD2-CD 3.29Å; D121-K132 WeakPolarHBondContact OD2-CD 3.32Å; D121-K132 WeakPolarHBondContact OD2-CE 3.31Å; D121-K132 IonicContact OD2-NZ 3.47Å; D121-K132 PolarHBondContact OD2-NZ 3.14Å | ||
| 122 | E | 90.3 | Very high | 93 | Very high | 212 Ų | 212 | 70.6 Ų | 70.6 | 99% | 0.991 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.9 | 179.2 | -62.7 | 179.7 | 177.2 | 0 | 0 | 113.3 | G124 | E122-G124 VanDerWaalsContact C-N 3.3Š|
| 123 | A | 89.2 | Confident | 92.9 | Very high | 80 Ų | 80 | 65.2 Ų | 65.2 | 66% | 0.661 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 3.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D121 K125 | D121-A123 PolarHBondContact O-N 2.75Å; D121-A123 WeakPolarHBondContact OD1-CA 3.42Å; D121-A123 PolarHBondContact OD1-N 3.35Å; A123-K125 VanDerWaalsContact C-N 3.35Å |
| 124 | G | 87 | Confident | 92.5 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | trans | 82.2 | 5.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q120 D121 E122 | Q120-G124 VanDerWaalsContact CG-C 3.48Å; Q120-G124 WeakPolarHBondContact CG-O 3.28Å; Q120-G124 PolarHBondContact NE2-O 3.35Å; D121-G124 PolarHBondContact O-N 3.04Å; D121-G124 PolarHBondContact OD1-N 3.14Å; D121-G124 VanDerWaalsContact OD1-N 3.1Å; E122-G124 VanDerWaalsContact C-N 3.3Å | ||
| 125 | K | 91.3 | Very high | 92.1 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 30% | 0.296 | 34% | 0.341 | S | S | . | . | trans | -78.7 | 140.8 | -178.9 | -64.8 | -175.1 | 179.5 | -77.5 | 0 | 111.8 | Q120 D121 A123 K132 F133 D134 | Q120-K125 VanDerWaalsContact CA-O 3.28Å; Q120-K125 WeakPolarHBondContact CA-O 3.48Å; D121-K125 PolarHBondContact N-O 3.06Å; D121-K125 PolarHBondContact OD1-N 2.86Å; A123-K125 VanDerWaalsContact C-N 3.35Å; K125-K132 HydrophobicContact CB-CB 4.06Å; K125-K132 HydrophobicContact CD-CB 4.2Å; K125-F133 CarbonylContact C-O 3.55Å; K125-F133 VanDerWaalsContact CA-O 3.29Å; K125-F133 WeakPolarHBondContact CA-O 3.39Å; K125-F133 WeakPolarHBondContact CB-O 3.31Å; K125-D134 IonicContact NZ-OD1 2.75Å; K125-D134 PolarHBondContact NZ-OD1 3.36Å; K125-D134 IonicContact NZ-OD2 3.54Å | ||
| 126 | Y | 93.5 | Very high | 91.8 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 7% | 0.071 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 141.3 | -177.4 | -60 | -80.9 | 0 | 0 | 0 | 112.4 | K26 V118 L119 Q120 K132 F133 I136 | K26-Y126 VanDerWaalsContact CE-OH 3.23Å; K26-Y126 WeakPolarHBondContact CE-OH 3.45Å; K26-Y126 PolarHBondContact NZ-OH 3.18Å; K26-Y126 VanDerWaalsContact NZ-OH 3.15Å; V118-Y126 HydrophobicContact CG1-CD1 3.85Å; V118-Y126 HydrophobicContact CG1-CG 4.44Å; L119-Y126 CarbonylContact O-C 3.46Å; L119-Y126 VanDerWaalsContact O-CA 3.31Å; L119-Y126 WeakPolarHBondContact O-CA 3.45Å; Q120-Y126 HydrophobicContact CG-CD1 4.35Å; Q120-Y126 HydrophobicContact CG-CE1 4.2Å; Q120-Y126 PolarHBondContact NE2-OH 2.94Å; Y126-K132 CarbonylContact O-C 3.6Å; Y126-K132 WeakPolarHBondContact O-CA 3.37Å; Y126-F133 PolarHBondContact N-O 3.05Å; Y126-F133 WeakPolarHBondContact O-CD2 3.44Å; Y126-F133 PolarHBondContact O-N 3.2Å; Y126-I136 HydrophobicContact CD1-CD1 4.32Å; Y126-I136 HydrophobicContact CD1-CG1 3.83Å; Y126-I136 HydrophobicContact CD2-CG1 4.11Å; Y126-I136 HydrophobicContact CE1-CD1 4.13Å; Y126-I136 HydrophobicContact CE1-CG1 4.02Å; Y126-I136 HydrophobicContact CE2-CG1 4.28Å; Y126-I136 HydrophobicContact CG-CG1 3.87Å |
| 127 | F | 95.5 | Very high | 91.6 | Very high | 32 Ų | 32 | 64.7 Ų | 64.7 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 157.8 | 177.1 | 59.3 | -80.8 | 0 | 0 | 0 | 113.3 | L119 D121 W129 S131 K132 | L119-F127 HydrophobicContact CB-CD1 4.3Å; L119-F127 HydrophobicContact CB-CD2 3.98Å; L119-F127 HydrophobicContact CB-CE1 3.95Å; L119-F127 HydrophobicContact CB-CE2 3.64Å; L119-F127 HydrophobicContact CB-CG 4.31Å; L119-F127 HydrophobicContact CB-CZ 3.62Å; L119-F127 WeakPolarHBondContact CB-O 3.29Å; L119-F127 HydrophobicContact CD1-CD2 4.2Å; L119-F127 HydrophobicContact CD1-CE2 3.61Å; L119-F127 HydrophobicContact CD1-CZ 4.2Å; L119-F127 HydrophobicContact CG-CE2 4.26Å; L119-F127 PolarHBondContact N-O 3.1Å; L119-F127 PolarHBondContact O-N 2.79Å; D121-F127 HydrophobicContact CB-CE1 3.91Å; F127-W129 WeakPolarHBondContact CD2-O 3.45Å; F127-S131 WeakPolarHBondContact CB-O 3.4Å; F127-K132 HydrophobicContact CB-CG 4.07Å; F127-K132 HydrophobicContact CD1-CD 4.44Å; F127-K132 HydrophobicContact CD1-CG 3.96Å; F127-K132 HydrophobicContact CG-CG 4.12Å |
| 128 | F | 92.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -100.1 | -33.4 | 162 | -64.3 | -58.6 | 0 | 0 | 0 | 112.4 | L105 F116 V118 L139 H143 I148 | L105-F128 HydrophobicContact CB-CE1 3.96Å; L105-F128 HydrophobicContact CB-CZ 3.64Å; L105-F128 HydrophobicContact CD2-CE2 3.91Å; L105-F128 HydrophobicContact CD2-CZ 3.61Å; L105-F128 HydrophobicContact CG-CZ 4.14Å; F116-F128 HydrophobicContact CB-CD1 3.62Å; F116-F128 HydrophobicContact CB-CE1 3.56Å; F116-F128 HydrophobicContact CB-CG 4.44Å; F116-F128 HydrophobicContact CB-CZ 4.35Å; V118-F128 HydrophobicContact CB-CE1 4.26Å; V118-F128 HydrophobicContact CG2-CE1 3.52Å; V118-F128 HydrophobicContact CG2-CZ 3.84Å; F128-L139 HydrophobicContact CD2-CD1 4.25Å; F128-L139 HydrophobicContact CD2-CD2 4.09Å; F128-L139 HydrophobicContact CD2-CG 4.29Å; F128-L139 HydrophobicContact CE2-CD1 4.17Å; F128-L139 HydrophobicContact CE2-CD2 3.3Å; F128-L139 HydrophobicContact CE2-CG 3.98Å; F128-L139 HydrophobicContact CZ-CD2 3.69Å; F128-H143 AromaticContact CD2-CD2 3.74Å; F128-H143 AromaticContact CD2-NE2 3.68Å; F128-I148 HydrophobicContact CD2-CD1 3.74Å; F128-I148 HydrophobicContact CD2-CG1 4.07Å; F128-I148 HydrophobicContact CE2-CD1 3.54Å; F128-I148 HydrophobicContact CE2-CG1 4.35Å; F128-I148 HydrophobicContact CG-CD1 4.45Å; F128-I148 HydrophobicContact CZ-CD1 4.13Å |
| 129 | W | 90.6 | Very high | 91.5 | Very high | 97 Ų | 97 | 63.6 Ų | 63.6 | 37% | 0.367 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -133.4 | -124.6 | -169.3 | -51.1 | 120.6 | 0 | 0 | 0 | 110.8 | F116 F127 I148 | F116-W129 HydrophobicContact CD1-CH2 4.48Å; F116-W129 HydrophobicContact CD1-CZ2 4.03Å; F116-W129 HydrophobicContact CE1-CH2 4.44Å; F116-W129 AromaticContact CE1-CZ2 3.86Å; F116-W129 HydrophobicContact CE1-CZ2 3.86Å; F127-W129 WeakPolarHBondContact CD2-O 3.45Å; W129-I148 PolarHBondContact NE1-O 2.9Å |
| 130 | L | 90.3 | Very high | 91.5 | Very high | 167 Ų | 167 | 60.2 Ų | 60.2 | 87% | 0.874 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -86.2 | -37.5 | -179.4 | -65 | 167.4 | 0 | 0 | 0 | 112.3 | ||
| 131 | S | 93.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | trans | -75.5 | 129.8 | -179.1 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | F127 F133 | F127-S131 WeakPolarHBondContact CB-O 3.4Å; S131-F133 WeakPolarHBondContact O-CE2 3.29Å | ||
| 132 | K | 95.6 | Very high | 91.7 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 46% | 0.457 | 31% | 0.312 | S | S | . | . | trans | -115.8 | 144.5 | -176.4 | -60.2 | -179.7 | 172.7 | -172 | 0 | 111.3 | D121 K125 Y126 F127 | D121-K132 VanDerWaalsContact OD2-CD 3.29Å; D121-K132 WeakPolarHBondContact OD2-CD 3.32Å; D121-K132 WeakPolarHBondContact OD2-CE 3.31Å; D121-K132 IonicContact OD2-NZ 3.47Å; D121-K132 PolarHBondContact OD2-NZ 3.14Å; K125-K132 HydrophobicContact CB-CB 4.06Å; K125-K132 HydrophobicContact CD-CB 4.2Å; Y126-K132 CarbonylContact O-C 3.6Å; Y126-K132 WeakPolarHBondContact O-CA 3.37Å; F127-K132 HydrophobicContact CB-CG 4.07Å; F127-K132 HydrophobicContact CD1-CD 4.44Å; F127-K132 HydrophobicContact CD1-CG 3.96Å; F127-K132 HydrophobicContact CG-CG 4.12Å | ||
| 133 | F | 93.8 | Very high | 91.9 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 10% | 0.101 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -132.8 | 149.2 | -172 | -54.5 | -82.4 | 0 | 0 | 0 | 111.4 | K125 Y126 S131 S135 Q138 L139 H142 | K125-F133 CarbonylContact C-O 3.55Å; K125-F133 VanDerWaalsContact CA-O 3.29Å; K125-F133 WeakPolarHBondContact CA-O 3.39Å; K125-F133 WeakPolarHBondContact CB-O 3.31Å; Y126-F133 PolarHBondContact N-O 3.05Å; Y126-F133 WeakPolarHBondContact O-CD2 3.44Å; Y126-F133 PolarHBondContact O-N 3.2Å; S131-F133 WeakPolarHBondContact O-CE2 3.29Å; F133-S135 PolarHBondContact O-N 2.86Å; F133-Q138 HydrophobicContact CB-CB 4.04Å; F133-Q138 HydrophobicContact CD1-CB 4.21Å; F133-Q138 HydrophobicContact CG-CB 4.47Å; F133-L139 HydrophobicContact CB-CB 3.97Å; F133-L139 HydrophobicContact CD2-CB 3.51Å; F133-L139 HydrophobicContact CD2-CD1 4.03Å; F133-L139 HydrophobicContact CD2-CG 3.92Å; F133-L139 HydrophobicContact CE2-CB 4.19Å; F133-L139 HydrophobicContact CE2-CG 4.29Å; F133-L139 HydrophobicContact CG-CB 3.82Å; F133-H142 HydrophobicContact CD1-CB 4.42Å; F133-H142 HydrophobicContact CE1-CB 3.5Å; F133-H142 VanDerWaalsContact CE1-CB 3.5Å; F133-H142 AromaticContact CE1-CG 3.59Å; F133-H142 AromaticContact CE1-ND1 3.86Å; F133-H142 HydrophobicContact CZ-CB 3.56Å; F133-H142 AromaticContact CZ-CD2 3.55Å; F133-H142 AromaticContact CZ-CG 3.37Å; F133-H142 AromaticContact CZ-ND1 3.89Å |
| 134 | D | 87.8 | Confident | 92.2 | Very high | 95 Ų | 95 | 49.9 Ų | 49.9 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -72.6 | -21.1 | 179.4 | -67.8 | -58.1 | 0 | 0 | 0 | 112.7 | K125 | K125-D134 IonicContact NZ-OD1 2.75Å; K125-D134 PolarHBondContact NZ-OD1 3.36Å; K125-D134 IonicContact NZ-OD2 3.54Å |
| 135 | S | 88.2 | Confident | 92.6 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -146.1 | 161.4 | 177.9 | 75.5 | 0 | 0 | 0 | 0 | 113 | E2 F133 N137 Q138 L139 | E2-S135 WeakPolarHBondContact OE1-CB 3.2Å; E2-S135 PolarHBondContact OE1-OG 3.21Å; F133-S135 PolarHBondContact O-N 2.86Å; S135-N137 PolarHBondContact O-N 3.07Å; S135-N137 PolarHBondContact OG-N 3.39Å; S135-Q138 PolarHBondContact O-N 2.86Å; S135-Q138 PolarHBondContact OG-N 3.45Å; S135-Q138 VanDerWaalsContact OG-N 3.16Å; S135-L139 PolarHBondContact O-N 2.93Å |
| 136 | I | 89.9 | Confident | 92.7 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 9% | 0.087 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.5 | -35.5 | 174.5 | -61 | 172.9 | 0 | 0 | 0 | 110.3 | W60 L93 F103 Y126 L139 I140 | W60-I136 HydrophobicContact CH2-CG2 4.35Å; W60-I136 HydrophobicContact CZ3-CG2 4.3Å; L93-I136 HydrophobicContact CD1-CG2 4.3Å; L93-I136 HydrophobicContact CD2-CD1 4.3Å; L93-I136 HydrophobicContact CD2-CG2 3.54Å; F103-I136 HydrophobicContact CB-CD1 4.43Å; F103-I136 HydrophobicContact CD1-CD1 4.18Å; F103-I136 HydrophobicContact CD2-CD1 3.26Å; F103-I136 HydrophobicContact CE1-CD1 4.26Å; F103-I136 HydrophobicContact CE2-CD1 3.38Å; F103-I136 HydrophobicContact CG-CD1 3.7Å; F103-I136 HydrophobicContact CZ-CD1 3.89Å; Y126-I136 HydrophobicContact CD1-CD1 4.32Å; Y126-I136 HydrophobicContact CD1-CG1 3.83Å; Y126-I136 HydrophobicContact CD2-CG1 4.11Å; Y126-I136 HydrophobicContact CE1-CD1 4.13Å; Y126-I136 HydrophobicContact CE1-CG1 4.02Å; Y126-I136 HydrophobicContact CE2-CG1 4.28Å; Y126-I136 HydrophobicContact CG-CG1 3.87Å; I136-L139 WeakPolarHBondContact O-CB 3.26Å; I136-L139 PolarHBondContact O-N 2.85Å; I136-I140 HydrophobicContact CG2-CG1 4.14Å; I136-I140 VanDerWaalsContact O-CG1 3.27Å; I136-I140 WeakPolarHBondContact O-CG1 3.37Å; I136-I140 PolarHBondContact O-N 3.23Å |
| 137 | N | 89.1 | Confident | 92.8 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.08 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59 | -49.2 | 175.5 | -68.9 | 64.8 | 0 | 0 | 0 | 111.3 | E2 S135 L139 I140 D141 | E2-N137 HydrophobicContact CG-CB 4.4Å; E2-N137 WeakPolarHBondContact OE2-CB 3.32Å; E2-N137 VanDerWaalsContact OE2-CG 3.28Å; S135-N137 PolarHBondContact O-N 3.07Å; S135-N137 PolarHBondContact OG-N 3.39Å; N137-L139 VanDerWaalsContact C-N 3.32Å; N137-L139 PolarHBondContact O-N 3.41Å; N137-I140 PolarHBondContact O-N 2.78Å; N137-D141 WeakPolarHBondContact O-CB 3.48Å; N137-D141 PolarHBondContact O-N 2.85Å |
| 138 | Q | 91.5 | Very high | 92.7 | Very high | 86 Ų | 86 | 56.2 Ų | 56.2 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.3 | -72.1 | -177.8 | 13.4 | 0 | 0 | 112.7 | F133 S135 D141 H142 | F133-Q138 HydrophobicContact CB-CB 4.04Å; F133-Q138 HydrophobicContact CD1-CB 4.21Å; F133-Q138 HydrophobicContact CG-CB 4.47Å; S135-Q138 PolarHBondContact O-N 2.86Å; S135-Q138 PolarHBondContact OG-N 3.45Å; S135-Q138 VanDerWaalsContact OG-N 3.16Å; Q138-D141 PolarHBondContact O-N 3.16Å; Q138-H142 WeakPolarHBondContact O-CB 3.45Å; Q138-H142 PolarHBondContact O-N 2.72Å |
| 139 | L | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.9 | 169.8 | 152.2 | 0 | 0 | 0 | 111.7 | V118 F128 F133 S135 I136 N137 H143 | V118-L139 HydrophobicContact CG1-CD1 4.28Å; F128-L139 HydrophobicContact CD2-CD1 4.25Å; F128-L139 HydrophobicContact CD2-CD2 4.09Å; F128-L139 HydrophobicContact CD2-CG 4.29Å; F128-L139 HydrophobicContact CE2-CD1 4.17Å; F128-L139 HydrophobicContact CE2-CD2 3.3Å; F128-L139 HydrophobicContact CE2-CG 3.98Å; F128-L139 HydrophobicContact CZ-CD2 3.69Å; F133-L139 HydrophobicContact CB-CB 3.97Å; F133-L139 HydrophobicContact CD2-CB 3.51Å; F133-L139 HydrophobicContact CD2-CD1 4.03Å; F133-L139 HydrophobicContact CD2-CG 3.92Å; F133-L139 HydrophobicContact CE2-CB 4.19Å; F133-L139 HydrophobicContact CE2-CG 4.29Å; F133-L139 HydrophobicContact CG-CB 3.82Å; S135-L139 PolarHBondContact O-N 2.93Å; I136-L139 WeakPolarHBondContact O-CB 3.26Å; I136-L139 PolarHBondContact O-N 2.85Å; N137-L139 VanDerWaalsContact C-N 3.32Å; N137-L139 PolarHBondContact O-N 3.41Å; L139-H143 PolarHBondContact O-CD2 3.29Å; L139-H143 VanDerWaalsContact O-CD2 3.25Å; L139-H143 PolarHBondContact O-N 3.37Å |
| 140 | I | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -49.1 | 175.9 | -67 | -59.1 | 0 | 0 | 0 | 110.5 | W60 F91 L105 I136 N137 H142 H143 R144 L156 | W60-I140 HydrophobicContact CH2-CG1 4.29Å; W60-I140 HydrophobicContact CZ2-CG1 4.47Å; W60-I140 HydrophobicContact CZ3-CG1 4.34Å; F91-I140 HydrophobicContact CD2-CD1 4.3Å; F91-I140 HydrophobicContact CE1-CG2 4.44Å; F91-I140 HydrophobicContact CE2-CD1 3.71Å; F91-I140 HydrophobicContact CE2-CG1 4.32Å; F91-I140 HydrophobicContact CE2-CG2 3.93Å; F91-I140 HydrophobicContact CZ-CD1 4.34Å; F91-I140 HydrophobicContact CZ-CG2 3.5Å; L105-I140 HydrophobicContact CD1-CD1 3.58Å; L105-I140 HydrophobicContact CD2-CD1 4.42Å; I136-I140 HydrophobicContact CG2-CG1 4.14Å; I136-I140 VanDerWaalsContact O-CG1 3.27Å; I136-I140 WeakPolarHBondContact O-CG1 3.37Å; I136-I140 PolarHBondContact O-N 3.23Å; N137-I140 PolarHBondContact O-N 2.78Å; I140-H142 VanDerWaalsContact C-N 3.26Å; I140-H142 PolarHBondContact O-N 2.9Å; I140-H143 CarbonylContact O-C 3.59Å; I140-H143 PolarHBondContact O-N 3.4Å; I140-R144 WeakPolarHBondContact O-CG 3.27Å; I140-R144 PolarHBondContact O-N 3.06Å; I140-L156 HydrophobicContact CD1-CD1 3.69Å; I140-L156 HydrophobicContact CG2-CD1 4.36Å |
| 141 | D | 92.3 | Very high | 91.7 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.9 | -35.5 | -178.8 | -72.4 | -20 | 0 | 0 | 0 | 112.7 | N137 Q138 R144 | N137-D141 WeakPolarHBondContact O-CB 3.48Å; N137-D141 PolarHBondContact O-N 2.85Å; Q138-D141 PolarHBondContact O-N 3.16Å; D141-R144 IonicContact OD1-NE 2.71Å |
| 142 | H | 94.8 | Very high | 91.4 | Very high | 61 Ų | 61 | 64.6 Ų | 64.6 | 28% | 0.282 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -49 | 171.1 | -178.7 | 85.6 | 0 | 0 | 0 | 111.4 | F133 Q138 I140 R144 K145 T146 | F133-H142 HydrophobicContact CD1-CB 4.42Å; F133-H142 HydrophobicContact CE1-CB 3.5Å; F133-H142 VanDerWaalsContact CE1-CB 3.5Å; F133-H142 AromaticContact CE1-CG 3.59Å; F133-H142 AromaticContact CE1-ND1 3.86Å; F133-H142 HydrophobicContact CZ-CB 3.56Å; F133-H142 AromaticContact CZ-CD2 3.55Å; F133-H142 AromaticContact CZ-CG 3.37Å; F133-H142 AromaticContact CZ-ND1 3.89Å; Q138-H142 WeakPolarHBondContact O-CB 3.45Å; Q138-H142 PolarHBondContact O-N 2.72Å; I140-H142 VanDerWaalsContact C-N 3.26Å; I140-H142 PolarHBondContact O-N 2.9Å; H142-R144 VanDerWaalsContact C-N 3.25Å; H142-R144 PolarHBondContact O-N 3.5Å; H142-K145 PolarHBondContact O-N 3.32Å; H142-T146 PolarHBondContact CE1-OG1 2.75Å; H142-T146 WeakPolarHBondContact NE2-CB 3.49Å; H142-T146 PolarHBondContact NE2-OG1 2.67Å; H142-T146 PolarHBondContact O-N 3.12Å; H142-T146 PolarHBondContact O-OG1 3.03Å |
| 143 | H | 95.8 | Very high | 91.2 | Very high | 8 Ų | 8 | 66.2 Ų | 66.2 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -76.4 | -7 | -177.6 | -76.1 | -63.8 | 0 | 0 | 0 | 114.8 | F128 L139 I140 T146 T155 L156 | F128-H143 AromaticContact CD2-CD2 3.74Å; F128-H143 AromaticContact CD2-NE2 3.68Å; L139-H143 PolarHBondContact O-CD2 3.29Å; L139-H143 VanDerWaalsContact O-CD2 3.25Å; L139-H143 PolarHBondContact O-N 3.37Å; I140-H143 CarbonylContact O-C 3.59Å; I140-H143 PolarHBondContact O-N 3.4Å; H143-T146 CarbonylContact C-O 3.54Å; H143-T146 VanDerWaalsContact CA-O 3.28Å; H143-T146 WeakPolarHBondContact CA-O 3.46Å; H143-T146 PolarHBondContact ND1-O 2.87Å; H143-T155 WeakPolarHBondContact O-CA 3.33Å; H143-L156 HydrophobicContact CB-CD1 3.54Å; H143-L156 HydrophobicContact CB-CG 3.79Å; H143-L156 PolarHBondContact O-N 3.37Å |
| 144 | R | 95.1 | Very high | 91.3 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -25.1 | 162.5 | -69.4 | 180 | -177 | -84.1 | -1.4 | 112.7 | I140 D141 H142 L156 D158 | I140-R144 WeakPolarHBondContact O-CG 3.27Å; I140-R144 PolarHBondContact O-N 3.06Å; D141-R144 IonicContact OD1-NE 2.71Å; H142-R144 VanDerWaalsContact C-N 3.25Å; H142-R144 PolarHBondContact O-N 3.5Å; R144-L156 HydrophobicContact CG-CB 4.21Å; R144-L156 WeakPolarHBondContact CG-O 3.49Å; R144-D158 IonicContact CZ-OD1 3.18Å; R144-D158 IonicContact CZ-OD2 3.21Å; R144-D158 VanDerWaalsContact NH1-CG 3.32Å; R144-D158 IonicContact NH1-OD1 3Å; R144-D158 PolarHBondContact NH1-OD1 3.42Å; R144-D158 IonicContact NH1-OD2 3.77Å; R144-D158 PolarHBondContact NH1-OD2 3Å; R144-D158 VanDerWaalsContact NH2-CG 3.31Å; R144-D158 IonicContact NH2-OD1 2.77Å; R144-D158 PolarHBondContact NH2-OD1 2.93Å; R144-D158 IonicContact NH2-OD2 2.63Å; R144-D158 PolarHBondContact NH2-OD2 3.29Å |
| 145 | K | 94.4 | Very high | 91.7 | Very high | 184 Ų | 184 | 63 Ų | 63 | 80% | 0.8 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -25.1 | -177.5 | -60 | 175.8 | -174.4 | 173.8 | 0 | 112.6 | H142 | H142-K145 PolarHBondContact O-N 3.32Š|
| 146 | T | 94 | Very high | 92.1 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -116.4 | 136.2 | -178 | -50.1 | 0 | 0 | 0 | 0 | 110.4 | H142 H143 I148 | H142-T146 PolarHBondContact CE1-OG1 2.75Å; H142-T146 WeakPolarHBondContact NE2-CB 3.49Å; H142-T146 PolarHBondContact NE2-OG1 2.67Å; H142-T146 PolarHBondContact O-N 3.12Å; H142-T146 PolarHBondContact O-OG1 3.03Å; H143-T146 CarbonylContact C-O 3.54Å; H143-T146 VanDerWaalsContact CA-O 3.28Å; H143-T146 WeakPolarHBondContact CA-O 3.46Å; H143-T146 PolarHBondContact ND1-O 2.87Å; T146-I148 PolarHBondContact O-N 2.86Å |
| 147 | S | 95.1 | Very high | 92.4 | Very high | 31 Ų | 31 | 64.4 Ų | 64.4 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | trans | -53.5 | 133.2 | 177.5 | -167.4 | 0 | 0 | 0 | 0 | 112.2 | S149 R152 L154 | S147-S149 PolarHBondContact OG-N 2.71Å; S147-S149 PolarHBondContact OG-O 2.81Å; S147-R152 PolarHBondContact OG-O 2.87Å; S147-L154 CarbonylContact C-O 3.56Å; S147-L154 WeakPolarHBondContact CA-O 3.45Å; S147-L154 PolarHBondContact OG-N 3.47Å | ||
| 148 | I | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -82.8 | -26.7 | 169.9 | -162.4 | 171.8 | 0 | 0 | 0 | 112.1 | L105 V107 F116 F128 W129 T146 L154 L156 | L105-I148 HydrophobicContact CD2-CD1 3.39Å; V107-I148 HydrophobicContact CG2-CD1 4.46Å; F116-I148 HydrophobicContact CD2-CD1 3.84Å; F116-I148 HydrophobicContact CE1-CG1 4.41Å; F116-I148 HydrophobicContact CE2-CD1 4.02Å; F116-I148 HydrophobicContact CE2-CG1 4.38Å; F116-I148 HydrophobicContact CE2-CG2 4.2Å; F116-I148 HydrophobicContact CG-CD1 4.11Å; F116-I148 HydrophobicContact CZ-CD1 4.45Å; F116-I148 HydrophobicContact CZ-CG1 4.33Å; F116-I148 HydrophobicContact CZ-CG2 4.15Å; F128-I148 HydrophobicContact CD2-CD1 3.74Å; F128-I148 HydrophobicContact CD2-CG1 4.07Å; F128-I148 HydrophobicContact CE2-CD1 3.54Å; F128-I148 HydrophobicContact CE2-CG1 4.35Å; F128-I148 HydrophobicContact CG-CD1 4.45Å; F128-I148 HydrophobicContact CZ-CD1 4.13Å; W129-I148 PolarHBondContact NE1-O 2.9Å; T146-I148 PolarHBondContact O-N 2.86Å; I148-L154 HydrophobicContact CG2-CB 4.39Å; I148-L154 HydrophobicContact CG2-CD2 4.05Å; I148-L154 HydrophobicContact CG2-CG 4.25Å; I148-L154 WeakPolarHBondContact CG2-O 3.11Å; I148-L154 PolarHBondContact N-O 2.97Å; I148-L156 HydrophobicContact CD1-CD2 4.25Å; I148-L156 HydrophobicContact CG2-CD2 4.36Å |
| 149 | S | 88.6 | Confident | 92.5 | Very high | 22 Ų | 22 | 64.3 Ų | 64.3 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | trans | -93.5 | 144.3 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | S147 R152 | S147-S149 PolarHBondContact OG-N 2.71Å; S147-S149 PolarHBondContact OG-O 2.81Å; S149-R152 WeakPolarHBondContact CB-O 3.44Å | ||
| 150 | R | 82.9 | Confident | 92.4 | Very high | 192 Ų | 192 | 67.1 Ų | 67.1 | 73% | 0.725 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -77.7 | -29.4 | 178.2 | -65 | -175 | -177.2 | -173.6 | -0.3 | 113.4 | ||
| 151 | N | 82.3 | Confident | 92.1 | Very high | 158 Ų | 158 | 72 Ų | 72 | 85% | 0.845 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -99.6 | -19.8 | -167 | -60.6 | -13.1 | 0 | 0 | 0 | 113 | ||
| 152 | R | 86.2 | Confident | 91.8 | Very high | 145 Ų | 145 | 68.8 Ų | 68.8 | 55% | 0.547 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -148.2 | 148.7 | -177.9 | -172.1 | 173.2 | 175.2 | -163 | -7 | 109.2 | D88 S147 S149 L154 | D88-R152 IonicContact OD2-NH1 3.99Å; D88-R152 IonicContact OD2-NH2 3.93Å; S147-R152 PolarHBondContact OG-O 2.87Å; S149-R152 WeakPolarHBondContact CB-O 3.44Å; R152-L154 PolarHBondContact O-N 2.88Å; R152-L154 VanDerWaalsContact O-N 3.13Å |
| 153 | L | 91.9 | Very high | 91.4 | Very high | 138 Ų | 138 | 74.7 Ų | 74.7 | 72% | 0.723 | 37% | 0.369 | S | S | * | . | trans | -63.1 | 112 | 170.3 | -178.7 | 61.7 | 0 | 0 | 0 | 109.5 | T155 | L153-T155 HydrophobicContact CD1-CG2 4.24Š| ||
| 154 | L | 95.2 | Very high | 90.9 | Very high | 6 Ų | 6 | 82 Ų | 82 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | trans | -140.2 | 97 | 177.8 | -172.7 | 69.3 | 0 | 0 | 0 | 108.5 | D88 V107 Q109 L114 S147 I148 R152 | D88-L154 HydrophobicContact CB-CD1 4.26Å; V107-L154 HydrophobicContact CG1-CD2 3.89Å; V107-L154 HydrophobicContact CG1-CG 4.3Å; Q109-L154 HydrophobicContact CB-CD1 4.48Å; Q109-L154 HydrophobicContact CB-CD2 4.2Å; L114-L154 HydrophobicContact CD1-CD2 4.09Å; S147-L154 CarbonylContact C-O 3.56Å; S147-L154 WeakPolarHBondContact CA-O 3.45Å; S147-L154 PolarHBondContact OG-N 3.47Å; I148-L154 HydrophobicContact CG2-CB 4.39Å; I148-L154 HydrophobicContact CG2-CD2 4.05Å; I148-L154 HydrophobicContact CG2-CG 4.25Å; I148-L154 WeakPolarHBondContact CG2-O 3.11Å; I148-L154 PolarHBondContact N-O 2.97Å; R152-L154 PolarHBondContact O-N 2.88Å; R152-L154 VanDerWaalsContact O-N 3.13Å | ||
| 155 | T | 97.1 | Very high | 90.3 | Very high | 44 Ų | 44 | 80.2 Ų | 80.2 | 27% | 0.27 | 39% | 0.391 | S | S | . | . | trans | -95 | 150.5 | 175.8 | 48.5 | 0 | 0 | 0 | 0 | 110.4 | G89 H143 L153 | G89-T155 VanDerWaalsContact CA-O 3.29Å; G89-T155 WeakPolarHBondContact CA-O 3.39Å; H143-T155 WeakPolarHBondContact O-CA 3.33Å; L153-T155 HydrophobicContact CD1-CG2 4.24Å | ||
| 156 | L | 96.8 | Very high | 89 | Confident | 3 Ų | 3 | 75.9 Ų | 75.9 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | trans | -74.7 | 134 | -179.1 | -61.6 | -175.1 | 0 | 0 | 0 | 111.7 | G89 F91 L105 V107 I140 H143 R144 I148 | G89-L156 WeakPolarHBondContact O-CA 3.32Å; F91-L156 HydrophobicContact CB-CD2 4.07Å; F91-L156 HydrophobicContact CD1-CB 3.64Å; F91-L156 HydrophobicContact CD1-CD1 4.41Å; F91-L156 HydrophobicContact CD1-CD2 4.04Å; F91-L156 HydrophobicContact CD1-CG 4.22Å; F91-L156 HydrophobicContact CE1-CB 3.66Å; F91-L156 HydrophobicContact CE1-CD1 4.45Å; F91-L156 HydrophobicContact CG-CB 4.42Å; F91-L156 HydrophobicContact CG-CD1 4.48Å; F91-L156 HydrophobicContact CG-CD2 4.06Å; F91-L156 HydrophobicContact CZ-CB 4.41Å; F91-L156 HydrophobicContact CZ-CD1 4.5Å; L105-L156 HydrophobicContact CD2-CD1 3.91Å; L105-L156 HydrophobicContact CD2-CD2 3.88Å; V107-L156 HydrophobicContact CG1-CD2 4.05Å; V107-L156 HydrophobicContact CG2-CD2 3.85Å; I140-L156 HydrophobicContact CD1-CD1 3.69Å; I140-L156 HydrophobicContact CG2-CD1 4.36Å; H143-L156 HydrophobicContact CB-CD1 3.54Å; H143-L156 HydrophobicContact CB-CG 3.79Å; H143-L156 PolarHBondContact O-N 3.37Å; R144-L156 HydrophobicContact CG-CB 4.21Å; R144-L156 WeakPolarHBondContact CG-O 3.49Å; I148-L156 HydrophobicContact CD1-CD2 4.25Å; I148-L156 HydrophobicContact CG2-CD2 4.36Å | ||
| 157 | V | 95.3 | Very high | 87.3 | Confident | 50 Ų | 50 | 75 Ų | 75 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -132.2 | 149.6 | 173.5 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | P87 G89 A90 F91 | P87-V157 HydrophobicContact CG-CG2 3.75Å; G89-V157 PolarHBondContact O-N 3.18Å; A90-V157 WeakPolarHBondContact CA-O 3.17Å; A90-V157 HydrophobicContact CB-CG2 4.36Å; F91-V157 WeakPolarHBondContact CD1-O 3.2Å; F91-V157 WeakPolarHBondContact CE1-O 3.23Å; F91-V157 PolarHBondContact N-O 2.77Å |
| 158 | D | 91.5 | Very high | 85.2 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 36% | 0.358 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 155.8 | 179.2 | -67.2 | -57.1 | 0 | 0 | 0 | 111.8 | R144 | R144-D158 IonicContact CZ-OD1 3.18Å; R144-D158 IonicContact CZ-OD2 3.21Å; R144-D158 VanDerWaalsContact NH1-CG 3.32Å; R144-D158 IonicContact NH1-OD1 3Å; R144-D158 PolarHBondContact NH1-OD1 3.42Å; R144-D158 IonicContact NH1-OD2 3.77Å; R144-D158 PolarHBondContact NH1-OD2 3Å; R144-D158 VanDerWaalsContact NH2-CG 3.31Å; R144-D158 IonicContact NH2-OD1 2.77Å; R144-D158 PolarHBondContact NH2-OD1 2.93Å; R144-D158 IonicContact NH2-OD2 2.63Å; R144-D158 PolarHBondContact NH2-OD2 3.29Å |
| 159 | L | 92 | Very high | 82.9 | Confident | 31 Ų | 31 | 81.1 Ų | 81.1 | 16% | 0.162 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 138.4 | 174.9 | -63.7 | 172.5 | 0 | 0 | 0 | 111.1 | L74 Q86 A90 I92 T167 | L74-L159 HydrophobicContact CD2-CD2 3.59Å; Q86-L159 HydrophobicContact CG-CD2 4.37Å; A90-L159 HydrophobicContact CB-CD2 4.26Å; I92-L159 HydrophobicContact CD1-CD1 4.31Å; I92-L159 HydrophobicContact CG1-CD1 3.84Å; I92-L159 HydrophobicContact CG1-CD2 4.25Å; I92-L159 HydrophobicContact CG1-CG 4.47Å; L159-T167 HydrophobicContact CD1-CG2 4.12Å |
| 160 | V | 91.2 | Very high | 80.6 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 36% | 0.358 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 136.3 | 162.9 | 179.8 | 0 | 0 | 0 | 0 | 108.4 | L85 Q86 S162 | L85-V160 HydrophobicContact CD1-CG1 4.05Å; L85-V160 HydrophobicContact CG-CG1 4.4Å; Q86-V160 PolarHBondContact NE2-O 3.25Å; V160-S162 PolarHBondContact O-N 3.19Å |
| 161 | P | 87.7 | Confident | 78.5 | Confident | 104 Ų | 104 | 88.8 Ų | 88.8 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 135.3 | 177.3 | -27.2 | 35.4 | 0 | 0 | 0 | 112.7 | ||
| 162 | S | 86.9 | Confident | 76.4 | Confident | 15 Ų | 15 | 85.3 Ų | 85.3 | 11% | 0.105 | 41% | 0.414 | C | S | . | . | trans | -112.7 | 139.1 | 177.9 | 170 | 0 | 0 | 0 | 0 | 111.1 | E76 V160 R164 F165 | E76-S162 PolarHBondContact OE1-OG 2.9Å; E76-S162 WeakPolarHBondContact OE2-CB 3.25Å; E76-S162 PolarHBondContact OE2-OG 3.02Å; V160-S162 PolarHBondContact O-N 3.19Å; S162-R164 PolarHBondContact OG-N 3.39Å; S162-F165 PolarHBondContact OG-N 3.41Å | ||
| 163 | K | 85.3 | Confident | 74.4 | Confident | 184 Ų | 184 | 82.6 Ų | 82.6 | 80% | 0.8 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -72.4 | -34.8 | 169.7 | -66.3 | 176.8 | -175.4 | 165.9 | 0 | 111.2 | E80 | E80-K163 IonicContact OE1-NZ 2.84Å; E80-K163 PolarHBondContact OE1-NZ 3.32Å |
| 164 | R | 84.9 | Confident | 72.6 | Confident | 161 Ų | 161 | 77.8 Ų | 77.8 | 61% | 0.608 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -78.4 | -39.9 | -177.7 | -176.9 | 178 | 175.3 | -167 | -5.5 | 112 | E76 S162 P166 | E76-R164 WeakPolarHBondContact OE1-CB 3.14Å; S162-R164 PolarHBondContact OG-N 3.39Å; R164-P166 VanDerWaalsContact C-CD 3.45Å; R164-P166 VanDerWaalsContact O-CD 3.32Å; R164-P166 WeakPolarHBondContact O-CD 3.22Å |
| 165 | F | 82.7 | Confident | 71.5 | Confident | 29 Ų | 29 | 80.6 Ų | 80.6 | 13% | 0.127 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -120.1 | 73.6 | -178.9 | -58.2 | -72 | 0 | 0 | 0 | 109.8 | E72 R73 S162 T167 | E72-F165 HydrophobicContact CB-CZ 4.16Å; R73-F165 HydrophobicContact CB-CD2 4.39Å; R73-F165 HydrophobicContact CG-CB 4.01Å; R73-F165 HydrophobicContact CG-CD1 3.82Å; R73-F165 HydrophobicContact CG-CD2 3.83Å; R73-F165 HydrophobicContact CG-CE1 4.15Å; R73-F165 HydrophobicContact CG-CE2 4.16Å; R73-F165 HydrophobicContact CG-CG 3.63Å; R73-F165 HydrophobicContact CG-CZ 4.3Å; S162-F165 PolarHBondContact OG-N 3.41Å; F165-T167 PolarHBondContact O-N 3Å |
| 166 | P | 68.1 | Low | 70.8 | Confident | 92 Ų | 92 | 81 Ų | 81 | 60% | 0.597 | 39% | 0.393 | S | S | * | . | trans | -56.3 | 121.4 | 176.7 | 22.5 | -31.3 | 0 | 0 | 0 | 108.9 | R164 N168 | R164-P166 VanDerWaalsContact C-CD 3.45Å; R164-P166 VanDerWaalsContact O-CD 3.32Å; R164-P166 WeakPolarHBondContact O-CD 3.22Å; P166-N168 PolarHBondContact O-N 3.47Å | ||
| 167 | T | 57.7 | Low | 70.5 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 26% | 0.258 | 39% | 0.393 | S | S | . | . | trans | -66 | 127.9 | 174.8 | 43.2 | 0 | 0 | 0 | 0 | 107.4 | L159 F165 V169 | L159-T167 HydrophobicContact CD1-CG2 4.12Å; F165-T167 PolarHBondContact O-N 3Å; T167-V169 PolarHBondContact O-N 2.63Å; T167-V169 WeakPolarHBondContact OG1-CG2 3.44Å | ||
| 168 | N | 50.4 | Low | 70.2 | Confident | 100 Ų | 100 | 81 Ų | 81 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 32.3 | 178.6 | -101.7 | -21.9 | 0 | 0 | 0 | 112.5 | P166 R170 K171 | P166-N168 PolarHBondContact O-N 3.47Å; N168-R170 PolarHBondContact O-N 3Å; N168-R170 VanDerWaalsContact O-N 3.14Å; N168-K171 HydrophobicContact CB-CB 3.85Å; N168-K171 PolarHBondContact O-N 2.81Å |
| 169 | V | 46.2 | Very low | 70.3 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 38% | 0.376 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -53.1 | -36.6 | 174.8 | -168.7 | 0 | 0 | 0 | 0 | 109.6 | P59 T167 K171 Q173 | P59-V169 HydrophobicContact CB-CG2 3.94Å; T167-V169 PolarHBondContact O-N 2.63Å; T167-V169 WeakPolarHBondContact OG1-CG2 3.44Å; V169-K171 PolarHBondContact O-N 3.39Å; V169-Q173 PolarHBondContact O-N 2.91Å |
| 170 | R | 39.6 | Very low | 70.3 | Confident | 217 Ų | 217 | 82.4 Ų | 82.4 | 82% | 0.819 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -73 | -18.8 | 174.8 | -69.1 | -169.1 | 179.8 | -172.8 | -0.7 | 115.6 | N168 Q173 | N168-R170 PolarHBondContact O-N 3Å; N168-R170 VanDerWaalsContact O-N 3.14Å; R170-Q173 VanDerWaalsContact O-O 3.05Å |
| 171 | K | 39.1 | Very low | 70.3 | Confident | 158 Ų | 158 | 84.6 Ų | 84.6 | 69% | 0.687 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -83.6 | -16.5 | -179.3 | -147.4 | -179.7 | -177.5 | -174.4 | 0 | 112.6 | N168 V169 | N168-K171 HydrophobicContact CB-CB 3.85Å; N168-K171 PolarHBondContact O-N 2.81Å; V169-K171 PolarHBondContact O-N 3.39Å |
| 172 | Y | 37.7 | Very low | 70.5 | Confident | 84 Ų | 84 | 84.4 Ų | 84.4 | 33% | 0.329 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -108.8 | -11.2 | 175.1 | -65.9 | -74.8 | 0 | 0 | 0 | 113.8 | M1 L174 | M1-Y172 HydrophobicContact CE-CD1 4.29Å; M1-Y172 HydrophobicContact CE-CE1 4.26Å; Y172-L174 VanDerWaalsContact C-N 3.31Å; Y172-L174 PolarHBondContact O-N 3.06Å; Y172-L174 VanDerWaalsContact O-N 3.15Å |
| 173 | Q | 46.2 | Very low | 70.9 | Confident | 88 Ų | 88 | 85.1 Ų | 85.1 | 41% | 0.411 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -71.7 | 97.3 | 149.9 | -85.2 | 174.1 | -47.3 | 0 | 0 | 106.1 | V169 R170 D175 S232 | V169-Q173 PolarHBondContact O-N 2.91Å; R170-Q173 VanDerWaalsContact O-O 3.05Å; Q173-D175 VanDerWaalsContact C-N 3.33Å; Q173-D175 PolarHBondContact O-N 2.92Å; Q173-S232 PolarHBondContact NE2-OG 3.37Å |
| 174 | L | 53.9 | Low | 71.3 | Confident | 37 Ų | 37 | 84.7 Ų | 84.7 | 19% | 0.194 | 39% | 0.39 | C | S | . | . | trans | -47.8 | 108.1 | 160.1 | -81.4 | 147.8 | 0 | 0 | 0 | 106.1 | Y172 R176 E200 | Y172-L174 VanDerWaalsContact C-N 3.31Å; Y172-L174 PolarHBondContact O-N 3.06Å; Y172-L174 VanDerWaalsContact O-N 3.15Å; L174-R176 HydrophobicContact CB-CG 3.88Å; L174-R176 PolarHBondContact O-N 2.59Å; L174-E200 VanDerWaalsContact CD2-CD 3.43Å; L174-E200 HydrophobicContact CD2-CG 3.63Å; L174-E200 VanDerWaalsContact CD2-OE1 3.24Å; L174-E200 WeakPolarHBondContact CD2-OE1 3.44Å | ||
| 175 | D | 72.1 | Confident | 71.5 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 35% | 0.348 | 37% | 0.37 | S | S | . | . | trans | -66.6 | 93.5 | 177.6 | -173.2 | 15.1 | 0 | 0 | 0 | 105.4 | Q173 V201 R204 | Q173-D175 VanDerWaalsContact C-N 3.33Å; Q173-D175 PolarHBondContact O-N 2.92Å; D175-V201 HydrophobicContact CB-CB 4.18Å; D175-V201 VanDerWaalsContact O-CB 3.29Å; D175-V201 WeakPolarHBondContact O-CB 3.4Å; D175-V201 WeakPolarHBondContact O-CG2 3.1Å; D175-V201 PolarHBondContact O-N 3.44Å; D175-R204 VanDerWaalsContact CG-NH2 3.28Å; D175-R204 IonicContact OD1-CZ 3.07Å; D175-R204 IonicContact OD1-NH2 3.23Å; D175-R204 PolarHBondContact OD1-NH2 3.44Å; D175-R204 IonicContact OD2-CZ 3.29Å; D175-R204 VanDerWaalsContact OD2-CZ 3.29Å; D175-R204 IonicContact OD2-NE 3.45Å; D175-R204 PolarHBondContact OD2-NE 3.32Å; D175-R204 IonicContact OD2-NH2 2.7Å; D175-R204 PolarHBondContact OD2-NH2 2.92Å | ||
| 176 | R | 82.1 | Confident | 71.4 | Confident | 52 Ų | 52 | 87.5 Ų | 87.5 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.3 | -172.3 | -76.8 | -173.3 | -73.4 | -166.5 | 2.9 | 108.7 | L174 V198 I199 L230 | L174-R176 HydrophobicContact CB-CG 3.88Å; L174-R176 PolarHBondContact O-N 2.59Å; R176-V198 HydrophobicContact CB-CG1 4.12Å; R176-V198 HydrophobicContact CG-CG1 4.2Å; R176-I199 VanDerWaalsContact CA-O 3.3Å; R176-I199 WeakPolarHBondContact CA-O 3.43Å; R176-L230 HydrophobicContact CB-CB 4.24Å; R176-L230 HydrophobicContact CB-CD2 4.22Å; R176-L230 WeakPolarHBondContact O-CB 3.38Å; R176-L230 PolarHBondContact O-N 2.82Å |
| 177 | V | 90.2 | Very high | 71.8 | Confident | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 154.6 | 177 | -59.4 | 0 | 0 | 0 | 0 | 108.1 | V198 I199 V201 W210 F222 V227 D228 | V177-V198 WeakPolarHBondContact O-CA 3.28Å; V177-I199 HydrophobicContact CG2-CB 3.78Å; V177-I199 HydrophobicContact CG2-CD1 4.14Å; V177-I199 PolarHBondContact N-O 3.46Å; V177-I199 PolarHBondContact O-N 2.8Å; V177-V201 HydrophobicContact CB-CG2 4.26Å; V177-V201 HydrophobicContact CG1-CG2 3.53Å; V177-V201 HydrophobicContact CG2-CG2 3.76Å; V177-W210 HydrophobicContact CG1-CZ3 4.02Å; V177-F222 HydrophobicContact CG2-CE2 4.12Å; V177-F222 HydrophobicContact CG2-CZ 3.99Å; V177-V227 HydrophobicContact CB-CB 3.78Å; V177-V227 HydrophobicContact CB-CG1 4.43Å; V177-V227 HydrophobicContact CB-CG2 3.76Å; V177-V227 HydrophobicContact CG1-CG2 4.12Å; V177-V227 HydrophobicContact CG2-CB 3.76Å; V177-V227 HydrophobicContact CG2-CG1 3.86Å; V177-V227 HydrophobicContact CG2-CG2 3.76Å; V177-D228 CarbonylContact C-O 3.51Å; V177-D228 WeakPolarHBondContact CA-O 3.37Å; V177-D228 WeakPolarHBondContact CB-O 3.26Å |
| 178 | I | 88.7 | Confident | 72.8 | Confident | 54 Ų | 54 | 88 Ų | 88 | 28% | 0.277 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.3 | 175.6 | -169.9 | 167.5 | 0 | 0 | 0 | 109.8 | R180 D197 V227 D228 L230 | I178-R180 PolarHBondContact O-N 3.43Å; I178-D197 CarbonylContact C-O 3.49Å; I178-D197 WeakPolarHBondContact CA-O 3.13Å; I178-V227 CarbonylContact O-C 3.6Å; I178-V227 WeakPolarHBondContact O-CA 3.29Å; I178-V227 WeakPolarHBondContact O-CB 3.45Å; I178-D228 HydrophobicContact CG2-CB 4.08Å; I178-D228 PolarHBondContact N-O 3.44Å; I178-D228 PolarHBondContact O-N 3.27Å; I178-L230 HydrophobicContact CB-CD1 3.82Å; I178-L230 HydrophobicContact CD1-CD1 4.21Å; I178-L230 HydrophobicContact CG2-CD1 4.01Å |
| 179 | A | 93.4 | Very high | 74.2 | Confident | 2 Ų | 2 | 85.2 Ų | 85.2 | 2% | 0.017 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 117.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L193 H194 R195 G196 D197 I199 | A179-L193 HydrophobicContact CB-CB 4.06Å; A179-L193 HydrophobicContact CB-CD1 4.29Å; A179-H194 WeakPolarHBondContact CB-O 3.41Å; A179-R195 WeakPolarHBondContact O-CA 3.36Å; A179-G196 PolarHBondContact O-N 2.87Å; A179-D197 HydrophobicContact CB-CB 4.12Å; A179-D197 PolarHBondContact N-O 2.89Å; A179-I199 HydrophobicContact CB-CD1 4.04Å |
| 180 | R | 92.6 | Very high | 76.3 | Confident | 126 Ų | 126 | 85.9 Ų | 85.9 | 48% | 0.475 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -80.1 | -27.6 | 175.1 | -169.3 | -173.8 | -94.9 | 178.4 | -3.8 | 111.2 | I178 R195 F226 D228 | I178-R180 PolarHBondContact O-N 3.43Å; R180-R195 WeakPolarHBondContact O-CD 3.36Å; R180-R195 WeakPolarHBondContact O-CG 3.05Å; R180-F226 PolarHBondContact N-O 2.85Å; R180-D228 VanDerWaalsContact CZ-CG 3.45Å; R180-D228 IonicContact CZ-OD1 3.73Å; R180-D228 IonicContact CZ-OD2 3.83Å; R180-D228 VanDerWaalsContact NE-CG 3.33Å; R180-D228 IonicContact NE-OD1 3.59Å; R180-D228 PolarHBondContact NE-OD1 2.86Å; R180-D228 IonicContact NE-OD2 2.75Å; R180-D228 PolarHBondContact NE-OD2 3.03Å; R180-D228 IonicContact NH1-OD1 2.8Å; R180-D228 IonicContact NH2-OD1 2.86Å; R180-D228 PolarHBondContact NH2-OD1 2.9Å; R180-D228 IonicContact NH2-OD2 2.76Å; R180-D228 PolarHBondContact NH2-OD2 3.37Å |
| 181 | F | 90 | Very high | 78.8 | Confident | 104 Ų | 104 | 75.7 Ų | 75.7 | 46% | 0.456 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -136.5 | 157.4 | -178.4 | -48.3 | -68.5 | 0 | 0 | 0 | 110.9 | F226 | F181-F226 HydrophobicContact CB-CD1 3.85Å; F181-F226 HydrophobicContact CB-CE1 4.18Å; F181-F226 HydrophobicContact CD2-CD1 4.37Å; F181-F226 HydrophobicContact CD2-CG 4.49Å |
| 182 | D | 93.6 | Very high | 81.4 | Confident | 100 Ų | 100 | 69.7 Ų | 69.7 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | trans | -67.7 | 142.7 | 166.8 | -55.7 | -37.3 | 0 | 0 | 0 | 109.6 | L193 H194 R195 F226 | D182-L193 CarbonylContact C-O 3.48Å; D182-L193 WeakPolarHBondContact CA-O 3.34Å; D182-H194 VanDerWaalsContact OD1-CA 3.3Å; D182-H194 WeakPolarHBondContact OD1-CA 3.5Å; D182-R195 WeakPolarHBondContact OD1-CB 3.38Å; D182-R195 PolarHBondContact OD1-N 3.22Å; D182-F226 WeakPolarHBondContact O-CE1 3.46Å | ||
| 183 | F | 94.1 | Very high | 84.1 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -137.4 | 110.1 | 173.7 | 175.3 | -109.8 | 0 | 0 | 0 | 108.5 | T185 L191 S192 L193 W209 P223 F226 | F183-T185 HydrophobicContact CE1-CG2 3.98Å; F183-L191 VanDerWaalsContact CD1-O 3.28Å; F183-L191 WeakPolarHBondContact CD1-O 3.42Å; F183-S192 CarbonylContact O-C 3.39Å; F183-S192 WeakPolarHBondContact O-CA 3.32Å; F183-S192 WeakPolarHBondContact O-CB 3.28Å; F183-L193 HydrophobicContact CB-CB 4.09Å; F183-L193 HydrophobicContact CB-CD1 4.5Å; F183-L193 HydrophobicContact CB-CG 4.31Å; F183-L193 PolarHBondContact N-O 3.43Å; F183-L193 PolarHBondContact O-N 3.38Å; F183-W209 HydrophobicContact CE1-CZ3 4.36Å; F183-W209 AromaticContact CZ-CH2 3.85Å; F183-W209 HydrophobicContact CZ-CH2 3.85Å; F183-W209 HydrophobicContact CZ-CZ3 4.04Å; F183-P223 HydrophobicContact CD1-CG 4.46Å; F183-P223 HydrophobicContact CD2-CG 3.95Å; F183-P223 HydrophobicContact CE1-CG 4.3Å; F183-P223 HydrophobicContact CE2-CG 3.77Å; F183-P223 HydrophobicContact CG-CG 4.31Å; F183-P223 HydrophobicContact CZ-CG 3.97Å; F183-F226 HydrophobicContact CB-CD1 3.79Å; F183-F226 HydrophobicContact CB-CE1 4.08Å; F183-F226 HydrophobicContact CD2-CD1 4.39Å; F183-F226 HydrophobicContact CD2-CE1 4.1Å; F183-F226 HydrophobicContact CD2-CZ 4.4Å; F183-F226 HydrophobicContact CG-CD1 4.43Å |
| 184 | E | 93.3 | Very high | 86.3 | Confident | 174 Ų | 174 | 66.2 Ų | 66.2 | 81% | 0.813 | 35% | 0.349 | S | S | * | . | trans | -100.4 | 131.5 | 174.1 | -76 | -171.7 | 161.4 | 0 | 0 | 110.5 | ||||
| 185 | T | 89.1 | Confident | 88.1 | Confident | 31 Ų | 31 | 73.6 Ų | 73.6 | 19% | 0.19 | 37% | 0.374 | C | S | . | . | trans | -129.6 | 151.4 | 176.1 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | F183 G187 E190 S192 | F183-T185 HydrophobicContact CE1-CG2 3.98Å; T185-G187 PolarHBondContact OG1-N 3.5Å; T185-E190 WeakPolarHBondContact CB-OE2 3.46Å; T185-E190 HydrophobicContact CG2-CB 3.55Å; T185-E190 WeakPolarHBondContact OG1-CB 3.38Å; T185-E190 PolarHBondContact OG1-OE2 3.36Å; T185-S192 WeakPolarHBondContact CG2-OG 3.48Å; T185-S192 PolarHBondContact N-OG 2.91Å | ||
| 186 | K | 81.6 | Confident | 88.8 | Confident | 219 Ų | 219 | 72.4 Ų | 72.4 | 95% | 0.952 | 38% | 0.377 | S | S | * | . | trans | -111.2 | -0.3 | 168.1 | -60.9 | -173.9 | -179.2 | -179 | 0 | 112.1 | ||||
| 187 | G | 77.1 | Confident | 89.1 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 31% | 0.309 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -73.7 | 127.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.4 | T185 G189 E190 | T185-G187 PolarHBondContact OG1-N 3.5Å; G187-G189 PolarHBondContact O-N 2.93Å; G187-G189 VanDerWaalsContact O-N 3.1Å; G187-E190 PolarHBondContact O-N 3.14Å; G187-E190 VanDerWaalsContact O-N 3.17Å |
| 188 | A | 77.2 | Confident | 89 | Confident | 114 Ų | 114 | 74 Ų | 74 | 94% | 0.942 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 113.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 189 | G | 80.1 | Confident | 89 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 43% | 0.433 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.2 | -3.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | G187 G220 L221 | G187-G189 PolarHBondContact O-N 2.93Å; G187-G189 VanDerWaalsContact O-N 3.1Å; G189-G220 CarbonylContact O-C 3.58Å; G189-G220 WeakPolarHBondContact O-CA 3.15Å; G189-L221 PolarHBondContact O-N 2.82Å |
| 190 | E | 91.7 | Very high | 88.6 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -93.1 | 157.7 | 169.8 | -63.4 | 176.8 | -160.9 | 0 | 0 | 111 | T185 G187 W209 L221 | T185-E190 WeakPolarHBondContact CB-OE2 3.46Å; T185-E190 HydrophobicContact CG2-CB 3.55Å; T185-E190 WeakPolarHBondContact OG1-CB 3.38Å; T185-E190 PolarHBondContact OG1-OE2 3.36Å; G187-E190 PolarHBondContact O-N 3.14Å; G187-E190 VanDerWaalsContact O-N 3.17Å; E190-W209 HydrophobicContact CG-CZ3 4.17Å; E190-L221 CarbonylContact C-O 3.54Å; E190-L221 VanDerWaalsContact CA-O 3.28Å; E190-L221 WeakPolarHBondContact CA-O 3.39Å |
| 191 | L | 90.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | trans | -115.8 | 115.1 | -174.1 | 179.8 | 63.9 | 0 | 0 | 0 | 110.2 | F183 L193 I199 T214 R218 L221 F222 | F183-L191 VanDerWaalsContact CD1-O 3.28Å; F183-L191 WeakPolarHBondContact CD1-O 3.42Å; L191-L193 HydrophobicContact CD2-CD2 4.03Å; L191-L193 HydrophobicContact CG-CD2 3.98Å; L191-I199 HydrophobicContact CD2-CG2 4.26Å; L191-T214 HydrophobicContact CD1-CG2 4.17Å; L191-T214 HydrophobicContact CD2-CG2 4.08Å; L191-T214 HydrophobicContact CG-CG2 4.35Å; L191-R218 HydrophobicContact CD1-CB 3.57Å; L191-L221 PolarHBondContact N-O 3.01Å; L191-F222 HydrophobicContact CB-CB 4.47Å; L191-F222 HydrophobicContact CD2-CD1 4.15Å | ||
| 192 | S | 93.9 | Very high | 87.8 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | trans | -71.2 | 133.6 | 172 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | F183 T185 R218 | F183-S192 CarbonylContact O-C 3.39Å; F183-S192 WeakPolarHBondContact O-CA 3.32Å; F183-S192 WeakPolarHBondContact O-CB 3.28Å; T185-S192 WeakPolarHBondContact CG2-OG 3.48Å; T185-S192 PolarHBondContact N-OG 2.91Å; S192-R218 PolarHBondContact O-NH1 2.87Å | ||
| 193 | L | 93.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -114.6 | 143.8 | -180 | -52.5 | -179.6 | 0 | 0 | 0 | 110.5 | A179 D182 F183 L191 I199 T214 F222 V227 | A179-L193 HydrophobicContact CB-CB 4.06Å; A179-L193 HydrophobicContact CB-CD1 4.29Å; D182-L193 CarbonylContact C-O 3.48Å; D182-L193 WeakPolarHBondContact CA-O 3.34Å; F183-L193 HydrophobicContact CB-CB 4.09Å; F183-L193 HydrophobicContact CB-CD1 4.5Å; F183-L193 HydrophobicContact CB-CG 4.31Å; F183-L193 PolarHBondContact N-O 3.43Å; F183-L193 PolarHBondContact O-N 3.38Å; L191-L193 HydrophobicContact CD2-CD2 4.03Å; L191-L193 HydrophobicContact CG-CD2 3.98Å; L193-I199 HydrophobicContact CD1-CD1 4.33Å; L193-I199 HydrophobicContact CD2-CD1 3.9Å; L193-I199 HydrophobicContact CD2-CG1 3.71Å; L193-T214 HydrophobicContact CD2-CG2 4.4Å; L193-F222 HydrophobicContact CD1-CB 3.85Å; L193-F222 HydrophobicContact CD1-CD2 3.97Å; L193-F222 HydrophobicContact CD1-CG 4.1Å; L193-F222 HydrophobicContact CD2-CB 4.38Å; L193-F222 HydrophobicContact CG-CB 4.23Å; L193-V227 HydrophobicContact CD1-CG1 4.03Å |
| 194 | H | 92.4 | Very high | 86.4 | Confident | 97 Ų | 97 | 66.5 Ų | 66.5 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | trans | -107.2 | 144.7 | 160.6 | -60.1 | 89.7 | 0 | 0 | 0 | 109.4 | A179 D182 G196 D197 | A179-H194 WeakPolarHBondContact CB-O 3.41Å; D182-H194 VanDerWaalsContact OD1-CA 3.3Å; D182-H194 WeakPolarHBondContact OD1-CA 3.5Å; H194-G196 PolarHBondContact O-N 2.94Å; H194-D197 PolarHBondContact N-OD2 2.83Å; H194-D197 IonicContact ND1-OD2 3.8Å; H194-D197 WeakPolarHBondContact O-CB 3.46Å; H194-D197 PolarHBondContact O-N 2.82Å | ||
| 195 | R | 92.4 | Very high | 85.2 | Confident | 192 Ų | 192 | 65.8 Ų | 65.8 | 73% | 0.725 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 124.7 | 175.8 | 176.4 | 177.1 | 177.6 | -154 | -1.9 | 109.8 | A179 R180 D182 | A179-R195 WeakPolarHBondContact O-CA 3.36Å; R180-R195 WeakPolarHBondContact O-CD 3.36Å; R180-R195 WeakPolarHBondContact O-CG 3.05Å; D182-R195 WeakPolarHBondContact OD1-CB 3.38Å; D182-R195 PolarHBondContact OD1-N 3.22Å |
| 196 | G | 87.3 | Confident | 85.1 | Confident | 40 Ų | 40 | 68.1 Ų | 68.1 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -10.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A179 H194 V198 | A179-G196 PolarHBondContact O-N 2.87Å; H194-G196 PolarHBondContact O-N 2.94Å; G196-V198 PolarHBondContact O-N 2.8Å |
| 197 | D | 89.1 | Confident | 85.2 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 20% | 0.203 | 37% | 0.367 | C | S | . | . | trans | -59.1 | 133.6 | 173.6 | -77.5 | -8.3 | 0 | 0 | 0 | 110 | I178 A179 H194 I199 | I178-D197 CarbonylContact C-O 3.49Å; I178-D197 WeakPolarHBondContact CA-O 3.13Å; A179-D197 HydrophobicContact CB-CB 4.12Å; A179-D197 PolarHBondContact N-O 2.89Å; H194-D197 PolarHBondContact N-OD2 2.83Å; H194-D197 IonicContact ND1-OD2 3.8Å; H194-D197 WeakPolarHBondContact O-CB 3.46Å; H194-D197 PolarHBondContact O-N 2.82Å; D197-I199 HydrophobicContact CB-CD1 4.31Å; D197-I199 VanDerWaalsContact O-CD1 3.28Å; D197-I199 WeakPolarHBondContact O-CD1 3.46Å | ||
| 198 | V | 88.2 | Confident | 85.9 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 29% | 0.285 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.9 | 171.3 | 179 | 0 | 0 | 0 | 0 | 108.1 | R176 V177 G196 L230 | R176-V198 HydrophobicContact CB-CG1 4.12Å; R176-V198 HydrophobicContact CG-CG1 4.2Å; V177-V198 WeakPolarHBondContact O-CA 3.28Å; G196-V198 PolarHBondContact O-N 2.8Å; V198-L230 HydrophobicContact CG1-CD2 4.22Å |
| 199 | I | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.3 | -178.4 | -52.2 | 97.3 | 0 | 0 | 0 | 108.7 | R176 V177 A179 L191 L193 D197 V201 R213 T214 F222 V227 | R176-I199 VanDerWaalsContact CA-O 3.3Å; R176-I199 WeakPolarHBondContact CA-O 3.43Å; V177-I199 HydrophobicContact CG2-CB 3.78Å; V177-I199 HydrophobicContact CG2-CD1 4.14Å; V177-I199 PolarHBondContact N-O 3.46Å; V177-I199 PolarHBondContact O-N 2.8Å; A179-I199 HydrophobicContact CB-CD1 4.04Å; L191-I199 HydrophobicContact CD2-CG2 4.26Å; L193-I199 HydrophobicContact CD1-CD1 4.33Å; L193-I199 HydrophobicContact CD2-CD1 3.9Å; L193-I199 HydrophobicContact CD2-CG1 3.71Å; D197-I199 HydrophobicContact CB-CD1 4.31Å; D197-I199 VanDerWaalsContact O-CD1 3.28Å; D197-I199 WeakPolarHBondContact O-CD1 3.46Å; I199-V201 PolarHBondContact O-N 3.02Å; I199-R213 WeakPolarHBondContact CA-O 3.46Å; I199-T214 HydrophobicContact CG1-CG2 4.19Å; I199-F222 HydrophobicContact CG2-CD1 4.2Å; I199-F222 HydrophobicContact CG2-CE1 3.61Å; I199-F222 HydrophobicContact CG2-CZ 3.96Å; I199-V227 HydrophobicContact CD1-CG1 4.05Å |
| 200 | E | 84.9 | Confident | 87.2 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 117.6 | 164.4 | -178.6 | -171 | -176.6 | 0 | 0 | 108.5 | L174 I202 G212 R213 | L174-E200 VanDerWaalsContact CD2-CD 3.43Å; L174-E200 HydrophobicContact CD2-CG 3.63Å; L174-E200 VanDerWaalsContact CD2-OE1 3.24Å; L174-E200 WeakPolarHBondContact CD2-OE1 3.44Å; E200-I202 PolarHBondContact O-N 2.86Å; E200-G212 CarbonylContact O-C 3.5Å; E200-G212 WeakPolarHBondContact O-CA 3.38Å; E200-R213 PolarHBondContact N-O 3.47Å; E200-R213 PolarHBondContact O-N 3.29Å; E200-R213 IonicContact OE2-NH1 3.02Å |
| 201 | V | 86.2 | Confident | 86.8 | Confident | 15 Ų | 15 | 69.4 Ų | 69.4 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 110.8 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 109 | D175 V177 I199 R204 W210 F222 | D175-V201 HydrophobicContact CB-CB 4.18Å; D175-V201 VanDerWaalsContact O-CB 3.29Å; D175-V201 WeakPolarHBondContact O-CB 3.4Å; D175-V201 WeakPolarHBondContact O-CG2 3.1Å; D175-V201 PolarHBondContact O-N 3.44Å; V177-V201 HydrophobicContact CB-CG2 4.26Å; V177-V201 HydrophobicContact CG1-CG2 3.53Å; V177-V201 HydrophobicContact CG2-CG2 3.76Å; I199-V201 PolarHBondContact O-N 3.02Å; V201-R204 HydrophobicContact CG1-CG 3.52Å; V201-W210 HydrophobicContact CG1-CE3 4.49Å; V201-W210 HydrophobicContact CG2-CE3 4.28Å; V201-F222 HydrophobicContact CG2-CZ 4.32Å |
| 202 | I | 78.9 | Confident | 86.6 | Confident | 76 Ų | 76 | 69.2 Ų | 69.2 | 39% | 0.39 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -37.5 | 176.8 | -61.9 | 173.2 | 0 | 0 | 0 | 110.3 | E200 R211 R213 | E200-I202 PolarHBondContact O-N 2.86Å; I202-R211 WeakPolarHBondContact CA-O 3.28Å; I202-R211 WeakPolarHBondContact CB-O 3.26Å; I202-R211 PolarHBondContact N-O 3.04Å; I202-R213 HydrophobicContact CD1-CB 3.88Å; I202-R213 HydrophobicContact CG1-CB 4.47Å |
| 203 | S | 72.2 | Confident | 86.2 | Confident | 30 Ų | 30 | 71 Ų | 71 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 138.5 | -177.7 | 166.5 | 0 | 0 | 0 | 0 | 112.4 | N205 W210 R211 | S203-N205 PolarHBondContact OG-N 3.45Å; S203-N205 PolarHBondContact OG-ND2 3.47Å; S203-N205 PolarHBondContact OG-OD1 3.48Å; S203-W210 WeakPolarHBondContact O-CA 3.49Å; S203-R211 PolarHBondContact N-O 3.39Å; S203-R211 PolarHBondContact O-N 3.01Å |
| 204 | R | 85.3 | Confident | 85.7 | Confident | 86 Ų | 86 | 71 Ų | 71 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | trans | -114.9 | 38.6 | 171.9 | -56.2 | -173.2 | -176.3 | -140.5 | 2.6 | 111.7 | D175 V201 D206 W210 D229 | D175-R204 VanDerWaalsContact CG-NH2 3.28Å; D175-R204 IonicContact OD1-CZ 3.07Å; D175-R204 IonicContact OD1-NH2 3.23Å; D175-R204 PolarHBondContact OD1-NH2 3.44Å; D175-R204 IonicContact OD2-CZ 3.29Å; D175-R204 VanDerWaalsContact OD2-CZ 3.29Å; D175-R204 IonicContact OD2-NE 3.45Å; D175-R204 PolarHBondContact OD2-NE 3.32Å; D175-R204 IonicContact OD2-NH2 2.7Å; D175-R204 PolarHBondContact OD2-NH2 2.92Å; V201-R204 HydrophobicContact CG1-CG 3.52Å; R204-D206 PolarHBondContact O-N 3.19Å; R204-W210 HydrophobicContact CB-CG 4.34Å; R204-W210 HydrophobicContact CG-CD2 3.85Å; R204-W210 HydrophobicContact CG-CE3 4.41Å; R204-W210 HydrophobicContact CG-CG 3.99Å; R204-W210 VanDerWaalsContact NH1-CZ2 3.33Å; R204-W210 VanDerWaalsContact NH1-CZ3 3.34Å; R204-D229 IonicContact CZ-OD1 2.77Å; R204-D229 IonicContact NH1-OD1 2.73Å; R204-D229 PolarHBondContact NH1-OD1 3.22Å; R204-D229 IonicContact NH2-OD1 3.92Å; R204-D229 PolarHBondContact NH2-OD1 3.22Å | ||
| 205 | N | 69.9 | Low | 84.9 | Confident | 158 Ų | 158 | 69.5 Ų | 69.5 | 85% | 0.845 | 34% | 0.339 | S | S | * | . | trans | -67.3 | -19.3 | -174.9 | -68.7 | 2.4 | 0 | 0 | 0 | 113.4 | S203 | S203-N205 PolarHBondContact OG-N 3.45Å; S203-N205 PolarHBondContact OG-ND2 3.47Å; S203-N205 PolarHBondContact OG-OD1 3.48Å | ||
| 206 | D | 86 | Confident | 84.2 | Confident | 81 Ų | 81 | 64.8 Ų | 64.8 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -118.4 | 145.8 | 175.2 | -175.3 | -78.1 | 0 | 0 | 0 | 109.4 | R204 N208 W209 W210 | R204-D206 PolarHBondContact O-N 3.19Å; D206-N208 VanDerWaalsContact C-N 3.34Å; D206-N208 WeakPolarHBondContact OD1-CA 3.4Å; D206-N208 PolarHBondContact OD1-N 2.86Å; D206-W209 PolarHBondContact OD1-N 3.43Å; D206-W210 PolarHBondContact O-NE1 3.26Å |
| 207 | E | 84.3 | Confident | 83.5 | Confident | 170 Ų | 170 | 64.4 Ų | 64.4 | 79% | 0.794 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -67.6 | -34.4 | -179 | -76.7 | -174.3 | 154.8 | 0 | 0 | 112.6 | S224 | E207-S224 PolarHBondContact O-OG 2.96Š|
| 208 | N | 91.4 | Very high | 83.2 | Confident | 103 Ų | 103 | 67 Ų | 67 | 55% | 0.551 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -100.7 | -29.4 | -171.9 | -63.3 | -37.9 | 0 | 0 | 0 | 112.6 | D206 P223 S224 | D206-N208 VanDerWaalsContact C-N 3.34Å; D206-N208 WeakPolarHBondContact OD1-CA 3.4Å; D206-N208 PolarHBondContact OD1-N 2.86Å; N208-P223 CarbonylContact O-C 3.59Å; N208-P223 VanDerWaalsContact O-CA 3.31Å; N208-P223 WeakPolarHBondContact O-CA 3.43Å; N208-S224 WeakPolarHBondContact CA-OG 3.41Å; N208-S224 PolarHBondContact O-N 3.5Å; N208-S224 PolarHBondContact O-OG 2.98Å |
| 209 | W | 91.7 | Very high | 82.9 | Confident | 91 Ų | 91 | 67.1 Ų | 67.1 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 109.9 | -175.1 | -71.3 | 90 | 0 | 0 | 0 | 112.1 | F183 E190 D206 L221 F222 P223 | F183-W209 HydrophobicContact CE1-CZ3 4.36Å; F183-W209 AromaticContact CZ-CH2 3.85Å; F183-W209 HydrophobicContact CZ-CH2 3.85Å; F183-W209 HydrophobicContact CZ-CZ3 4.04Å; E190-W209 HydrophobicContact CG-CZ3 4.17Å; D206-W209 PolarHBondContact OD1-N 3.43Å; W209-L221 HydrophobicContact CE3-CB 3.89Å; W209-L221 HydrophobicContact CZ3-CB 4.46Å; W209-F222 WeakPolarHBondContact CA-O 3.28Å; W209-P223 HydrophobicContact CH2-CG 4.18Å; W209-P223 HydrophobicContact CZ3-CG 4.13Å |
| 210 | W | 92.1 | Very high | 82.9 | Confident | 33 Ų | 33 | 67.1 Ų | 67.1 | 13% | 0.125 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 147.4 | 176.3 | -63.2 | -8.8 | 0 | 0 | 0 | 110.3 | V177 V201 S203 R204 D206 L221 F222 S224 V227 | V177-W210 HydrophobicContact CG1-CZ3 4.02Å; V201-W210 HydrophobicContact CG1-CE3 4.49Å; V201-W210 HydrophobicContact CG2-CE3 4.28Å; S203-W210 WeakPolarHBondContact O-CA 3.49Å; R204-W210 HydrophobicContact CB-CG 4.34Å; R204-W210 HydrophobicContact CG-CD2 3.85Å; R204-W210 HydrophobicContact CG-CE3 4.41Å; R204-W210 HydrophobicContact CG-CG 3.99Å; R204-W210 VanDerWaalsContact NH1-CZ2 3.33Å; R204-W210 VanDerWaalsContact NH1-CZ3 3.34Å; D206-W210 PolarHBondContact O-NE1 3.26Å; W210-L221 CarbonylContact O-C 3.6Å; W210-L221 VanDerWaalsContact O-CA 3.26Å; W210-L221 WeakPolarHBondContact O-CA 2.88Å; W210-F222 HydrophobicContact CB-CE1 3.97Å; W210-F222 HydrophobicContact CB-CE2 4.11Å; W210-F222 HydrophobicContact CB-CZ 3.69Å; W210-F222 HydrophobicContact CE3-CE2 4.1Å; W210-F222 HydrophobicContact CE3-CZ 4.12Å; W210-F222 PolarHBondContact N-O 3.19Å; W210-F222 VanDerWaalsContact O-CD1 3.3Å; W210-F222 WeakPolarHBondContact O-CD1 3.29Å; W210-F222 PolarHBondContact O-N 3.38Å; W210-S224 VanDerWaalsContact CZ2-CB 3.43Å; W210-V227 HydrophobicContact CE3-CG2 4.16Å; W210-V227 HydrophobicContact CZ3-CG2 3.76Å |
| 211 | R | 83.4 | Confident | 83.2 | Confident | 109 Ų | 109 | 67.8 Ų | 67.8 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130 | 170.4 | -167.8 | 175.7 | -179.8 | 81.7 | 0.7 | 108.4 | I202 S203 G220 L221 | I202-R211 WeakPolarHBondContact CA-O 3.28Å; I202-R211 WeakPolarHBondContact CB-O 3.26Å; I202-R211 PolarHBondContact N-O 3.04Å; S203-R211 PolarHBondContact N-O 3.39Å; S203-R211 PolarHBondContact O-N 3.01Å; R211-G220 WeakPolarHBondContact CA-O 3.1Å; R211-L221 HydrophobicContact CB-CD2 3.95Å |
| 212 | G | 88.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | -178.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | E200 C219 G220 | E200-G212 CarbonylContact O-C 3.5Å; E200-G212 WeakPolarHBondContact O-CA 3.38Å; G212-C219 WeakPolarHBondContact O-CA 3.28Å; G212-G220 PolarHBondContact N-O 3.38Å; G212-G220 PolarHBondContact O-N 3.43Å; G212-G220 VanDerWaalsContact O-N 3.1Å |
| 213 | R | 84.6 | Confident | 84.4 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 127.9 | -179.8 | 175.6 | -177.8 | -63.6 | 156.9 | -4.8 | 109.4 | P34 I199 E200 I202 R218 C219 | P34-R213 VanDerWaalsContact CG-NH1 3.29Å; I199-R213 WeakPolarHBondContact CA-O 3.46Å; E200-R213 PolarHBondContact N-O 3.47Å; E200-R213 PolarHBondContact O-N 3.29Å; E200-R213 IonicContact OE2-NH1 3.02Å; I202-R213 HydrophobicContact CD1-CB 3.88Å; I202-R213 HydrophobicContact CG1-CB 4.47Å; R213-R218 VanDerWaalsContact CA-O 3.26Å; R213-R218 WeakPolarHBondContact CA-O 3.34Å; R213-C219 PolarHBondContact NE-SG 2.96Å |
| 214 | T | 83.4 | Confident | 85.4 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 161.4 | 170.4 | 41.4 | 0 | 0 | 0 | 0 | 110.4 | L191 L193 I199 D216 G217 R218 | L191-T214 HydrophobicContact CD1-CG2 4.17Å; L191-T214 HydrophobicContact CD2-CG2 4.08Å; L191-T214 HydrophobicContact CG-CG2 4.35Å; L193-T214 HydrophobicContact CD2-CG2 4.4Å; I199-T214 HydrophobicContact CG1-CG2 4.19Å; T214-D216 VanDerWaalsContact CB-OD1 3.31Å; T214-D216 WeakPolarHBondContact CB-OD1 3.33Å; T214-D216 PolarHBondContact O-N 2.83Å; T214-D216 VanDerWaalsContact O-N 3.11Å; T214-D216 PolarHBondContact OG1-OD1 3.46Å; T214-G217 PolarHBondContact O-N 3.11Å; T214-R218 PolarHBondContact N-O 2.86Å; T214-R218 WeakPolarHBondContact OG1-CB 3.44Å; T214-R218 PolarHBondContact OG1-O 3.47Å |
| 215 | S | 75.4 | Confident | 85.8 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 45% | 0.448 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.2 | 178.3 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | N35 G217 | N35-S215 PolarHBondContact ND2-O 2.8Å; N35-S215 PolarHBondContact OD1-O 2.81Å; S215-G217 VanDerWaalsContact C-N 3.28Å |
| 216 | D | 78 | Confident | 87 | Confident | 93 Ų | 93 | 59.9 Ų | 59.9 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 6.7 | 174 | 65.4 | 6.7 | 0 | 0 | 0 | 113.6 | T214 R218 | T214-D216 VanDerWaalsContact CB-OD1 3.31Å; T214-D216 WeakPolarHBondContact CB-OD1 3.33Å; T214-D216 PolarHBondContact O-N 2.83Å; T214-D216 VanDerWaalsContact O-N 3.11Å; T214-D216 PolarHBondContact OG1-OD1 3.46Å; D216-R218 VanDerWaalsContact C-N 3.35Å; D216-R218 VanDerWaalsContact CG-NE 3.34Å; D216-R218 PolarHBondContact O-N 2.88Å; D216-R218 IonicContact OD1-CZ 3.9Å; D216-R218 PolarHBondContact OD1-N 2.85Å; D216-R218 IonicContact OD1-NE 3.24Å; D216-R218 PolarHBondContact OD1-NE 3.35Å; D216-R218 IonicContact OD1-NH2 3.76Å; D216-R218 IonicContact OD2-CZ 3.19Å; D216-R218 IonicContact OD2-NE 2.73Å; D216-R218 PolarHBondContact OD2-NE 3.36Å; D216-R218 IonicContact OD2-NH2 2.8Å; D216-R218 PolarHBondContact OD2-NH2 2.99Å |
| 217 | G | 72.6 | Confident | 87.4 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 84.7 | -4.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T214 S215 C219 | T214-G217 PolarHBondContact O-N 3.11Å; S215-G217 VanDerWaalsContact C-N 3.28Å; G217-C219 PolarHBondContact O-N 3.13Å; G217-C219 PolarHBondContact O-SG 2.87Å; G217-C219 VanDerWaalsContact O-SG 3.42Å |
| 218 | R | 83.1 | Confident | 87.6 | Confident | 92 Ų | 92 | 51.1 Ų | 51.1 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | trans | -62.9 | 135.6 | 174.1 | -64.1 | 178.8 | -74.8 | 135.7 | 3 | 109.7 | L191 S192 R213 T214 D216 | L191-R218 HydrophobicContact CD1-CB 3.57Å; S192-R218 PolarHBondContact O-NH1 2.87Å; R213-R218 VanDerWaalsContact CA-O 3.26Å; R213-R218 WeakPolarHBondContact CA-O 3.34Å; T214-R218 PolarHBondContact N-O 2.86Å; T214-R218 WeakPolarHBondContact OG1-CB 3.44Å; T214-R218 PolarHBondContact OG1-O 3.47Å; D216-R218 VanDerWaalsContact C-N 3.35Å; D216-R218 VanDerWaalsContact CG-NE 3.34Å; D216-R218 PolarHBondContact O-N 2.88Å; D216-R218 IonicContact OD1-CZ 3.9Å; D216-R218 PolarHBondContact OD1-N 2.85Å; D216-R218 IonicContact OD1-NE 3.24Å; D216-R218 PolarHBondContact OD1-NE 3.35Å; D216-R218 IonicContact OD1-NH2 3.76Å; D216-R218 IonicContact OD2-CZ 3.19Å; D216-R218 IonicContact OD2-NE 2.73Å; D216-R218 PolarHBondContact OD2-NE 3.36Å; D216-R218 IonicContact OD2-NH2 2.8Å; D216-R218 PolarHBondContact OD2-NH2 2.99Å | ||
| 219 | C | 81.3 | Confident | 87.3 | Confident | 50 Ų | 50 | 51 Ų | 51 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138 | -178.5 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | G212 R213 G217 | G212-C219 WeakPolarHBondContact O-CA 3.28Å; R213-C219 PolarHBondContact NE-SG 2.96Å; G217-C219 PolarHBondContact O-N 3.13Å; G217-C219 PolarHBondContact O-SG 2.87Å; G217-C219 VanDerWaalsContact O-SG 3.42Å |
| 220 | G | 88 | Confident | 86.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | -177 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G189 R211 G212 | G189-G220 CarbonylContact O-C 3.58Å; G189-G220 WeakPolarHBondContact O-CA 3.15Å; R211-G220 WeakPolarHBondContact CA-O 3.1Å; G212-G220 PolarHBondContact N-O 3.38Å; G212-G220 PolarHBondContact O-N 3.43Å; G212-G220 VanDerWaalsContact O-N 3.1Å |
| 221 | L | 91.9 | Very high | 84.6 | Confident | 67 Ų | 67 | 52.8 Ų | 52.8 | 35% | 0.351 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 137.3 | 174 | -66.9 | 169.1 | 0 | 0 | 0 | 110.6 | G189 E190 L191 W209 W210 R211 | G189-L221 PolarHBondContact O-N 2.82Å; E190-L221 CarbonylContact C-O 3.54Å; E190-L221 VanDerWaalsContact CA-O 3.28Å; E190-L221 WeakPolarHBondContact CA-O 3.39Å; L191-L221 PolarHBondContact N-O 3.01Å; W209-L221 HydrophobicContact CE3-CB 3.89Å; W209-L221 HydrophobicContact CZ3-CB 4.46Å; W210-L221 CarbonylContact O-C 3.6Å; W210-L221 VanDerWaalsContact O-CA 3.26Å; W210-L221 WeakPolarHBondContact O-CA 2.88Å; R211-L221 HydrophobicContact CB-CD2 3.95Å |
| 222 | F | 94.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.6 | 173.1 | 65.4 | -85.7 | 0 | 0 | 0 | 110.4 | V177 L191 L193 I199 V201 W209 W210 S224 V227 | V177-F222 HydrophobicContact CG2-CE2 4.12Å; V177-F222 HydrophobicContact CG2-CZ 3.99Å; L191-F222 HydrophobicContact CB-CB 4.47Å; L191-F222 HydrophobicContact CD2-CD1 4.15Å; L193-F222 HydrophobicContact CD1-CB 3.85Å; L193-F222 HydrophobicContact CD1-CD2 3.97Å; L193-F222 HydrophobicContact CD1-CG 4.1Å; L193-F222 HydrophobicContact CD2-CB 4.38Å; L193-F222 HydrophobicContact CG-CB 4.23Å; I199-F222 HydrophobicContact CG2-CD1 4.2Å; I199-F222 HydrophobicContact CG2-CE1 3.61Å; I199-F222 HydrophobicContact CG2-CZ 3.96Å; V201-F222 HydrophobicContact CG2-CZ 4.32Å; W209-F222 WeakPolarHBondContact CA-O 3.28Å; W210-F222 HydrophobicContact CB-CE1 3.97Å; W210-F222 HydrophobicContact CB-CE2 4.11Å; W210-F222 HydrophobicContact CB-CZ 3.69Å; W210-F222 HydrophobicContact CE3-CE2 4.1Å; W210-F222 HydrophobicContact CE3-CZ 4.12Å; W210-F222 PolarHBondContact N-O 3.19Å; W210-F222 VanDerWaalsContact O-CD1 3.3Å; W210-F222 WeakPolarHBondContact O-CD1 3.29Å; W210-F222 PolarHBondContact O-N 3.38Å; F222-S224 PolarHBondContact O-N 2.87Å; F222-V227 HydrophobicContact CD2-CG1 3.78Å; F222-V227 HydrophobicContact CE2-CB 4.34Å; F222-V227 HydrophobicContact CE2-CG1 3.55Å; F222-V227 HydrophobicContact CE2-CG2 3.82Å |
| 223 | P | 94.8 | Very high | 80.6 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 7% | 0.065 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 127.9 | -179.2 | -12.8 | 27.3 | 0 | 0 | 0 | 111 | F183 N208 W209 N225 F226 | F183-P223 HydrophobicContact CD1-CG 4.46Å; F183-P223 HydrophobicContact CD2-CG 3.95Å; F183-P223 HydrophobicContact CE1-CG 4.3Å; F183-P223 HydrophobicContact CE2-CG 3.77Å; F183-P223 HydrophobicContact CG-CG 4.31Å; F183-P223 HydrophobicContact CZ-CG 3.97Å; N208-P223 CarbonylContact O-C 3.59Å; N208-P223 VanDerWaalsContact O-CA 3.31Å; N208-P223 WeakPolarHBondContact O-CA 3.43Å; W209-P223 HydrophobicContact CH2-CG 4.18Å; W209-P223 HydrophobicContact CZ3-CG 4.13Å; P223-N225 WeakPolarHBondContact CB-OD1 3.39Å; P223-N225 PolarHBondContact O-N 2.86Å; P223-F226 HydrophobicContact CB-CB 4.41Å; P223-F226 HydrophobicContact CB-CD2 3.63Å; P223-F226 HydrophobicContact CB-CE2 4.21Å; P223-F226 HydrophobicContact CB-CG 4.24Å; P223-F226 HydrophobicContact CG-CD2 3.9Å; P223-F226 HydrophobicContact CG-CE2 4.25Å; P223-F226 HydrophobicContact CG-CG 4.26Å; P223-F226 PolarHBondContact O-N 2.83Å; P223-F226 VanDerWaalsContact O-N 3.08Å |
| 224 | S | 93.4 | Very high | 78.1 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -61.2 | -27.6 | 179.7 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | E207 N208 W210 F222 F226 V227 | E207-S224 PolarHBondContact O-OG 2.96Å; N208-S224 WeakPolarHBondContact CA-OG 3.41Å; N208-S224 PolarHBondContact O-N 3.5Å; N208-S224 PolarHBondContact O-OG 2.98Å; W210-S224 VanDerWaalsContact CZ2-CB 3.43Å; F222-S224 PolarHBondContact O-N 2.87Å; S224-F226 VanDerWaalsContact C-N 3.28Å; S224-F226 PolarHBondContact O-N 3.33Å; S224-V227 VanDerWaalsContact O-CG2 3.27Å; S224-V227 WeakPolarHBondContact O-CG2 3.48Å |
| 225 | N | 94.8 | Very high | 77.9 | Confident | 115 Ų | 115 | 65.6 Ų | 65.6 | 62% | 0.615 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -79.4 | -3.9 | 178.3 | 66.2 | -36.2 | 0 | 0 | 0 | 114.3 | P223 | P223-N225 WeakPolarHBondContact CB-OD1 3.39Å; P223-N225 PolarHBondContact O-N 2.86Å |
| 226 | F | 94.7 | Very high | 78 | Confident | 55 Ų | 55 | 65.6 Ų | 65.6 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -93.2 | -2.5 | 176.4 | -84.7 | -119.2 | 0 | 0 | 0 | 112.8 | R180 F181 D182 F183 P223 S224 | R180-F226 PolarHBondContact N-O 2.85Å; F181-F226 HydrophobicContact CB-CD1 3.85Å; F181-F226 HydrophobicContact CB-CE1 4.18Å; F181-F226 HydrophobicContact CD2-CD1 4.37Å; F181-F226 HydrophobicContact CD2-CG 4.49Å; D182-F226 WeakPolarHBondContact O-CE1 3.46Å; F183-F226 HydrophobicContact CB-CD1 3.79Å; F183-F226 HydrophobicContact CB-CE1 4.08Å; F183-F226 HydrophobicContact CD2-CD1 4.39Å; F183-F226 HydrophobicContact CD2-CE1 4.1Å; F183-F226 HydrophobicContact CD2-CZ 4.4Å; F183-F226 HydrophobicContact CG-CD1 4.43Å; P223-F226 HydrophobicContact CB-CB 4.41Å; P223-F226 HydrophobicContact CB-CD2 3.63Å; P223-F226 HydrophobicContact CB-CE2 4.21Å; P223-F226 HydrophobicContact CB-CG 4.24Å; P223-F226 HydrophobicContact CG-CD2 3.9Å; P223-F226 HydrophobicContact CG-CE2 4.25Å; P223-F226 HydrophobicContact CG-CG 4.26Å; P223-F226 PolarHBondContact O-N 2.83Å; P223-F226 VanDerWaalsContact O-N 3.08Å; S224-F226 VanDerWaalsContact C-N 3.28Å; S224-F226 PolarHBondContact O-N 3.33Å |
| 227 | V | 93.8 | Very high | 78 | Confident | 12 Ų | 12 | 64.1 Ų | 64.1 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154.4 | -175.9 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | V177 I178 L193 I199 W210 F222 S224 | V177-V227 HydrophobicContact CB-CB 3.78Å; V177-V227 HydrophobicContact CB-CG1 4.43Å; V177-V227 HydrophobicContact CB-CG2 3.76Å; V177-V227 HydrophobicContact CG1-CG2 4.12Å; V177-V227 HydrophobicContact CG2-CB 3.76Å; V177-V227 HydrophobicContact CG2-CG1 3.86Å; V177-V227 HydrophobicContact CG2-CG2 3.76Å; I178-V227 CarbonylContact O-C 3.6Å; I178-V227 WeakPolarHBondContact O-CA 3.29Å; I178-V227 WeakPolarHBondContact O-CB 3.45Å; L193-V227 HydrophobicContact CD1-CG1 4.03Å; I199-V227 HydrophobicContact CD1-CG1 4.05Å; W210-V227 HydrophobicContact CE3-CG2 4.16Å; W210-V227 HydrophobicContact CZ3-CG2 3.76Å; F222-V227 HydrophobicContact CD2-CG1 3.78Å; F222-V227 HydrophobicContact CE2-CB 4.34Å; F222-V227 HydrophobicContact CE2-CG1 3.55Å; F222-V227 HydrophobicContact CE2-CG2 3.82Å; S224-V227 VanDerWaalsContact O-CG2 3.27Å; S224-V227 WeakPolarHBondContact O-CG2 3.48Å |
| 228 | D | 89.6 | Confident | 78.3 | Confident | 55 Ų | 55 | 66 Ų | 66 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 146 | 164.1 | -75.3 | -36.5 | 0 | 0 | 0 | 109.4 | V177 I178 R180 L230 | V177-D228 CarbonylContact C-O 3.51Å; V177-D228 WeakPolarHBondContact CA-O 3.37Å; V177-D228 WeakPolarHBondContact CB-O 3.26Å; I178-D228 HydrophobicContact CG2-CB 4.08Å; I178-D228 PolarHBondContact N-O 3.44Å; I178-D228 PolarHBondContact O-N 3.27Å; R180-D228 VanDerWaalsContact CZ-CG 3.45Å; R180-D228 IonicContact CZ-OD1 3.73Å; R180-D228 IonicContact CZ-OD2 3.83Å; R180-D228 VanDerWaalsContact NE-CG 3.33Å; R180-D228 IonicContact NE-OD1 3.59Å; R180-D228 PolarHBondContact NE-OD1 2.86Å; R180-D228 IonicContact NE-OD2 2.75Å; R180-D228 PolarHBondContact NE-OD2 3.03Å; R180-D228 IonicContact NH1-OD1 2.8Å; R180-D228 IonicContact NH2-OD1 2.86Å; R180-D228 PolarHBondContact NH2-OD1 2.9Å; R180-D228 IonicContact NH2-OD2 2.76Å; R180-D228 PolarHBondContact NH2-OD2 3.37Å; D228-L230 PolarHBondContact O-N 3.21Å |
| 229 | D | 83.3 | Confident | 78 | Confident | 101 Ų | 101 | 64.4 Ų | 64.4 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 124.3 | 168.3 | -70.5 | -43 | 0 | 0 | 0 | 108.6 | R204 P231 | R204-D229 IonicContact CZ-OD1 2.77Å; R204-D229 IonicContact NH1-OD1 2.73Å; R204-D229 PolarHBondContact NH1-OD1 3.22Å; R204-D229 IonicContact NH2-OD1 3.92Å; R204-D229 PolarHBondContact NH2-OD1 3.22Å; D229-P231 VanDerWaalsContact O-CD 3.23Å; D229-P231 WeakPolarHBondContact O-CD 3.42Å |
| 230 | L | 75.7 | Confident | 77.8 | Confident | 59 Ų | 59 | 65.3 Ų | 65.3 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | trans | -79.6 | 111 | 174.1 | -165.6 | 83 | 0 | 0 | 0 | 106 | R176 I178 V198 D228 S232 | R176-L230 HydrophobicContact CB-CB 4.24Å; R176-L230 HydrophobicContact CB-CD2 4.22Å; R176-L230 WeakPolarHBondContact O-CB 3.38Å; R176-L230 PolarHBondContact O-N 2.82Å; I178-L230 HydrophobicContact CB-CD1 3.82Å; I178-L230 HydrophobicContact CD1-CD1 4.21Å; I178-L230 HydrophobicContact CG2-CD1 4.01Å; V198-L230 HydrophobicContact CG1-CD2 4.22Å; D228-L230 PolarHBondContact O-N 3.21Å; L230-S232 PolarHBondContact O-N 2.65Å; L230-S232 VanDerWaalsContact O-N 3.15Å | ||
| 231 | P | 52 | Low | 77.1 | Confident | 103 Ų | 103 | 70 Ų | 70 | 67% | 0.669 | 39% | 0.391 | S | S | * | . | trans | -58.4 | 128.4 | -178.1 | 21.6 | -29.9 | 0 | 0 | 0 | 108.6 | D229 V233 | D229-P231 VanDerWaalsContact O-CD 3.23Å; D229-P231 WeakPolarHBondContact O-CD 3.42Å; P231-V233 PolarHBondContact O-N 2.73Å | ||
| 232 | S | 48.4 | Very low | 75.9 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 37% | 0.371 | 39% | 0.394 | S | S | . | . | trans | -58.9 | 114.3 | 165.5 | -58.2 | 0 | 0 | 0 | 0 | 106.4 | Q173 L230 I234 | Q173-S232 PolarHBondContact NE2-OG 3.37Å; L230-S232 PolarHBondContact O-N 2.65Å; L230-S232 VanDerWaalsContact O-N 3.15Å; S232-I234 WeakPolarHBondContact O-CG1 3.48Å; S232-I234 PolarHBondContact O-N 3.47Å | ||
| 233 | V | 40 | Very low | 74.4 | Confident | 118 Ų | 118 | 76.1 Ų | 76.1 | 72% | 0.715 | 43% | 0.426 | S | S | * | . | trans | -64.8 | 108 | 174.4 | -173.4 | 0 | 0 | 0 | 0 | 106 | P231 | P231-V233 PolarHBondContact O-N 2.73Š| ||
| 234 | I | 32.2 | Very low | 72.5 | Confident | 213 Ų | 213 | 82.1 Ų | 82.1 | 100% | 1.092 | 46% | 0.459 | S | S | * | . | trans | -74.4 | 0 | 177.7 | -49.4 | 177.6 | 0 | 0 | 0 | 108.6 | S232 | S232-I234 WeakPolarHBondContact O-CG1 3.48Å; S232-I234 PolarHBondContact O-N 3.47Å |
Retrieved 234 of 234 residues in 48.8 ms
(Link to these results)