| 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 | 85.2 | Confident | 89.4 | Confident | 138 Ų | 138 | 62.6 Ų | 62.6 | 68% | 0.68 | 35% | 0.352 | S | S | * | . | 0 | 134 | 0 | -170.2 | 173.8 | -176.7 | 0 | 0 | 107.2 | F3 F24 L53 | M1-F3 HydrophobicContact CB-CE2 4.31Å; M1-F3 HydrophobicContact CE-CE1 3.88Å; M1-F3 HydrophobicContact CE-CE2 4.35Å; M1-F3 HydrophobicContact CE-CZ 3.45Å; M1-F3 VanDerWaalsContact CE-CZ 3.45Å; M1-F3 HydrophobicContact CG-CE2 3.75Å; M1-F3 HydrophobicContact CG-CZ 3.82Å; M1-F3 HydrophobicContact SD-CE2 3.99Å; M1-F3 HydrophobicContact SD-CZ 3.6Å; M1-F24 HydrophobicContact SD-CZ 4.31Å; M1-L53 HydrophobicContact CE-CD1 3.48Å; M1-L53 VanDerWaalsContact CE-CD1 3.48Å; M1-L53 HydrophobicContact CE-CD2 3.78Å; M1-L53 HydrophobicContact CE-CG 4.18Å; M1-L53 HydrophobicContact CG-CD1 3.56Å; M1-L53 HydrophobicContact SD-CD1 4.36Å | |||
| 2 | M | 92.6 | Very high | 88.2 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 22% | 0.222 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 141.9 | -173.9 | -46.6 | -68.1 | -102.7 | 0 | 0 | 109.5 | L53 V54 L56 S89 C90 | M2-L53 WeakPolarHBondContact O-CD1 3.48Å; M2-V54 WeakPolarHBondContact CB-O 3.42Å; M2-V54 PolarHBondContact O-N 2.88Å; M2-V54 VanDerWaalsContact O-O 3.14Å; M2-L56 HydrophobicContact CB-CD1 4.32Å; M2-L56 HydrophobicContact CE-CD1 4.16Å; M2-S89 WeakPolarHBondContact CE-O 3.28Å; M2-C90 HydrophobicContact CE-CB 3.98Å; M2-C90 WeakPolarHBondContact CE-SG 3.15Å; M2-C90 PolarHBondContact SD-SG 2.96Å |
| 3 | F | 95.1 | Very high | 87.3 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145.1 | 179.7 | -62.6 | -89.5 | 0 | 0 | 0 | 110 | M1 H18 C19 V21 F24 V51 Q52 L53 | M1-F3 HydrophobicContact CB-CE2 4.31Å; M1-F3 HydrophobicContact CE-CE1 3.88Å; M1-F3 HydrophobicContact CE-CE2 4.35Å; M1-F3 HydrophobicContact CE-CZ 3.45Å; M1-F3 VanDerWaalsContact CE-CZ 3.45Å; M1-F3 HydrophobicContact CG-CE2 3.75Å; M1-F3 HydrophobicContact CG-CZ 3.82Å; M1-F3 HydrophobicContact SD-CE2 3.99Å; M1-F3 HydrophobicContact SD-CZ 3.6Å; F3-H18 CarbonylContact O-C 3.53Å; F3-H18 VanDerWaalsContact O-CA 3.24Å; F3-H18 WeakPolarHBondContact O-CA 3.42Å; F3-C19 PolarHBondContact N-O 3.42Å; F3-C19 PolarHBondContact O-N 3.5Å; F3-V21 HydrophobicContact CD2-CB 4.41Å; F3-V21 HydrophobicContact CD2-CG2 3.43Å; F3-V21 VanDerWaalsContact CD2-CG2 3.43Å; F3-V21 HydrophobicContact CE2-CB 3.95Å; F3-V21 HydrophobicContact CE2-CG2 3.18Å; F3-V21 HydrophobicContact CG-CG2 4.47Å; F3-V21 HydrophobicContact CZ-CG2 4.07Å; F3-F24 HydrophobicContact CE2-CZ 4.25Å; F3-F24 HydrophobicContact CZ-CE1 4.26Å; F3-F24 HydrophobicContact CZ-CZ 4.12Å; F3-V51 HydrophobicContact CB-CG1 4Å; F3-V51 HydrophobicContact CD1-CG1 3.69Å; F3-V51 HydrophobicContact CG-CG1 4.12Å; F3-Q52 CarbonylContact C-O 3.56Å; F3-Q52 VanDerWaalsContact CA-O 3.22Å; F3-Q52 WeakPolarHBondContact CA-O 3.23Å; F3-L53 HydrophobicContact CE1-CB 4.48Å; F3-L53 HydrophobicContact CE1-CD1 4.3Å |
| 4 | K | 94.7 | Very high | 86.8 | Confident | 54 Ų | 54 | 71.5 Ų | 71.5 | 24% | 0.235 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118.4 | 167.9 | 179.7 | -176.9 | 178.9 | -176.2 | 0 | 107.6 | T6 F16 V51 Q52 V54 | K4-T6 HydrophobicContact CD-CG2 4.38Å; K4-T6 HydrophobicContact CG-CG2 4.24Å; K4-F16 HydrophobicContact CD-CD2 4.47Å; K4-F16 HydrophobicContact CG-CB 4.46Å; K4-F16 HydrophobicContact CG-CD2 4.38Å; K4-V51 WeakPolarHBondContact O-CA 3.45Å; K4-Q52 HydrophobicContact CB-CB 4.42Å; K4-Q52 PolarHBondContact N-O 2.94Å; K4-Q52 PolarHBondContact O-N 3.21Å; K4-V54 HydrophobicContact CB-CG2 3.63Å |
| 5 | I | 94.4 | Very high | 87 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 2% | 0.021 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.8 | 174.6 | -57.5 | -174.3 | 0 | 0 | 0 | 107.6 | F16 T17 C19 L33 L37 L41 V49 N50 V51 | I5-F16 CarbonylContact O-C 3.49Å; I5-F16 WeakPolarHBondContact O-CA 3.24Å; I5-F16 WeakPolarHBondContact O-CB 3.4Å; I5-T17 HydrophobicContact CB-CG2 4.26Å; I5-T17 PolarHBondContact N-O 3.36Å; I5-T17 PolarHBondContact O-N 2.87Å; I5-C19 WeakPolarHBondContact CD1-SG 3.27Å; I5-L33 HydrophobicContact CD1-CD1 4.24Å; I5-L33 HydrophobicContact CD1-CD2 3.41Å; I5-L33 VanDerWaalsContact CD1-CD2 3.41Å; I5-L33 HydrophobicContact CD1-CG 4.49Å; I5-L37 HydrophobicContact CD1-CD2 4.35Å; I5-L41 HydrophobicContact CB-CD1 4.23Å; I5-L41 HydrophobicContact CG2-CD1 3.63Å; I5-V49 HydrophobicContact CG2-CB 3.81Å; I5-V49 HydrophobicContact CG2-CG1 3.99Å; I5-V49 HydrophobicContact CG2-CG2 4.2Å; I5-N50 WeakPolarHBondContact CA-O 3.48Å; I5-V51 HydrophobicContact CG1-CG2 4.42Å |
| 6 | T | 93.9 | Very high | 87.4 | Confident | 22 Ų | 22 | 74.8 Ų | 74.8 | 14% | 0.135 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.4 | 179.7 | 43.8 | 0 | 0 | 0 | 0 | 109.1 | K4 F16 V49 N50 | K4-T6 HydrophobicContact CD-CG2 4.38Å; K4-T6 HydrophobicContact CG-CG2 4.24Å; T6-F16 HydrophobicContact CG2-CB 3.58Å; T6-V49 WeakPolarHBondContact O-CA 3.23Å; T6-N50 PolarHBondContact N-O 2.96Å; T6-N50 PolarHBondContact O-N 2.97Å; T6-N50 VanDerWaalsContact OG1-CB 3.28Å; T6-N50 WeakPolarHBondContact OG1-CB 3.45Å; T6-N50 PolarHBondContact OG1-O 2.86Å |
| 7 | N | 92.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 127.8 | 171.6 | -170.5 | -12.4 | 0 | 0 | 0 | 108.9 | D9 A12 R15 L41 L43 | N7-D9 WeakPolarHBondContact OD1-CB 3.4Å; N7-D9 PolarHBondContact OD1-N 2.81Å; N7-D9 PolarHBondContact OD1-OD2 2.96Å; N7-A12 HydrophobicContact CB-CB 4.15Å; N7-A12 WeakPolarHBondContact ND2-CB 3.4Å; N7-R15 PolarHBondContact N-O 2.86Å; N7-L41 PolarHBondContact ND2-O 3.16Å; N7-L43 HydrophobicContact CB-CD2 4.07Å; N7-L43 WeakPolarHBondContact ND2-CD2 3.33Å |
| 8 | L | 88.4 | Confident | 88.1 | Confident | 95 Ų | 95 | 68 Ų | 68 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | trans | -85.8 | -13.4 | 179.6 | -68.3 | 172.9 | 0 | 0 | 0 | 113 | L48 N50 | L8-L48 HydrophobicContact CD1-CB 4.26Å; L8-N50 HydrophobicContact CD1-CB 4.15Å; L8-N50 HydrophobicContact CD2-CB 3.8Å; L8-N50 HydrophobicContact CG-CB 4.03Å | ||
| 9 | D | 86.5 | Confident | 88.4 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 34% | 0.342 | 34% | 0.339 | S | S | . | . | trans | -67.9 | 126.2 | -178 | -68.9 | -30.6 | 0 | 0 | 0 | 111.3 | N7 S11 A12 | N7-D9 WeakPolarHBondContact OD1-CB 3.4Å; N7-D9 PolarHBondContact OD1-N 2.81Å; N7-D9 PolarHBondContact OD1-OD2 2.96Å; D9-S11 PolarHBondContact O-N 3.48Å; D9-S11 VanDerWaalsContact O-N 3.11Å; D9-A12 HydrophobicContact CB-CB 4.38Å; D9-A12 PolarHBondContact O-N 3.13Å | ||
| 10 | P | 80.3 | Confident | 88.6 | Confident | 123 Ų | 123 | 63.6 Ų | 63.6 | 80% | 0.799 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -57.4 | -31 | 179.4 | -25.1 | 33 | 0 | 0 | 0 | 113.4 | A12 | P10-A12 VanDerWaalsContact C-N 3.25Å; P10-A12 PolarHBondContact O-N 3.06Å |
| 11 | S | 80.5 | Confident | 88.8 | Confident | 116 Ų | 116 | 63.3 Ų | 63.3 | 81% | 0.811 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -65.3 | -26.9 | 179.2 | -58.3 | 0 | 0 | 0 | 0 | 113.1 | D9 K13 | D9-S11 PolarHBondContact O-N 3.48Å; D9-S11 VanDerWaalsContact O-N 3.11Å; S11-K13 VanDerWaalsContact C-N 3.35Å; S11-K13 PolarHBondContact O-N 3.3Å |
| 12 | A | 74 | Confident | 89.1 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -90.8 | 12.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N7 D9 P10 N14 R15 L42 | N7-A12 HydrophobicContact CB-CB 4.15Å; N7-A12 WeakPolarHBondContact ND2-CB 3.4Å; D9-A12 HydrophobicContact CB-CB 4.38Å; D9-A12 PolarHBondContact O-N 3.13Å; P10-A12 VanDerWaalsContact C-N 3.25Å; P10-A12 PolarHBondContact O-N 3.06Å; A12-N14 VanDerWaalsContact C-N 3.26Å; A12-N14 PolarHBondContact O-N 2.79Å; A12-R15 VanDerWaalsContact O-CG 3.3Å; A12-R15 WeakPolarHBondContact O-CG 3.36Å; A12-R15 PolarHBondContact O-N 3.28Å; A12-L42 HydrophobicContact CB-CB 4.49Å |
| 13 | K | 77.5 | Confident | 89.1 | Confident | 183 Ų | 183 | 68.3 Ų | 68.3 | 80% | 0.796 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 35.4 | 175.5 | -59.1 | -177.1 | 179.6 | 179.7 | 0 | 114.5 | S11 R15 | S11-K13 VanDerWaalsContact C-N 3.35Å; S11-K13 PolarHBondContact O-N 3.3Å; K13-R15 PolarHBondContact O-N 2.77Å |
| 14 | N | 79.8 | Confident | 88.9 | Confident | 124 Ų | 124 | 74.6 Ų | 74.6 | 66% | 0.663 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 39.6 | -179.1 | -63.7 | -28.4 | 0 | 0 | 0 | 113.4 | A12 | A12-N14 VanDerWaalsContact C-N 3.26Å; A12-N14 PolarHBondContact O-N 2.79Å |
| 15 | R | 89.9 | Confident | 88.7 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | trans | -60.3 | 141.2 | 173 | -78.2 | -176.2 | -173.4 | -161.2 | 2.3 | 110.4 | N7 A12 K13 N40 L41 | N7-R15 PolarHBondContact N-O 2.86Å; A12-R15 VanDerWaalsContact O-CG 3.3Å; A12-R15 WeakPolarHBondContact O-CG 3.36Å; A12-R15 PolarHBondContact O-N 3.28Å; K13-R15 PolarHBondContact O-N 2.77Å; R15-N40 VanDerWaalsContact CD-O 3.23Å; R15-N40 WeakPolarHBondContact CD-O 3.42Å; R15-N40 PolarHBondContact NH1-O 3.18Å; R15-L41 HydrophobicContact CB-CD2 4.18Å | ||
| 16 | F | 93 | Very high | 88.5 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 40% | 0.395 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153.1 | 177.9 | 71.1 | -93.5 | 0 | 0 | 0 | 110.3 | K4 I5 T6 H18 T92 | K4-F16 HydrophobicContact CD-CD2 4.47Å; K4-F16 HydrophobicContact CG-CB 4.46Å; K4-F16 HydrophobicContact CG-CD2 4.38Å; I5-F16 CarbonylContact O-C 3.49Å; I5-F16 WeakPolarHBondContact O-CA 3.24Å; I5-F16 WeakPolarHBondContact O-CB 3.4Å; T6-F16 HydrophobicContact CG2-CB 3.58Å; F16-H18 AromaticContact CD2-CE1 3.93Å; F16-H18 AromaticContact CE2-CE1 3.66Å; F16-T92 HydrophobicContact CD2-CG2 4.26Å; F16-T92 HydrophobicContact CE2-CG2 3.8Å |
| 17 | T | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 84.6 Ų | 84.6 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 155.5 | 175.6 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | I5 L37 L41 D95 | I5-T17 HydrophobicContact CB-CG2 4.26Å; I5-T17 PolarHBondContact N-O 3.36Å; I5-T17 PolarHBondContact O-N 2.87Å; T17-L37 HydrophobicContact CG2-CD1 3.75Å; T17-L37 HydrophobicContact CG2-CD2 4Å; T17-L37 HydrophobicContact CG2-CG 3.83Å; T17-L41 HydrophobicContact CG2-CD1 3.67Å; T17-L41 HydrophobicContact CG2-CD2 3.8Å; T17-L41 HydrophobicContact CG2-CG 3.83Å; T17-D95 PolarHBondContact OG1-OD2 2.7Å |
| 18 | H | 94.2 | Very high | 88.2 | Confident | 28 Ų | 28 | 93.3 Ų | 93.3 | 13% | 0.13 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.3 | 173.4 | -57 | 87.6 | 0 | 0 | 0 | 109.9 | F3 F16 L56 C90 T92 | F3-H18 CarbonylContact O-C 3.53Å; F3-H18 VanDerWaalsContact O-CA 3.24Å; F3-H18 WeakPolarHBondContact O-CA 3.42Å; F16-H18 AromaticContact CD2-CE1 3.93Å; F16-H18 AromaticContact CE2-CE1 3.66Å; H18-L56 HydrophobicContact CB-CD1 3.84Å; H18-C90 HydrophobicContact CB-CB 3.92Å; H18-C90 WeakPolarHBondContact O-CB 3.36Å; H18-T92 PolarHBondContact N-OG1 2.94Å; H18-T92 WeakPolarHBondContact ND1-CG2 3.34Å; H18-T92 PolarHBondContact ND1-OG1 2.95Å |
| 19 | C | 93.1 | Very high | 88.3 | Confident | 23 Ų | 23 | 92.4 Ų | 92.4 | 16% | 0.155 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 153.9 | 177.8 | 64.5 | 0 | 0 | 0 | 0 | 111.3 | F3 I5 L37 C90 | F3-C19 PolarHBondContact N-O 3.42Å; F3-C19 PolarHBondContact O-N 3.5Å; I5-C19 WeakPolarHBondContact CD1-SG 3.27Å; C19-L37 HydrophobicContact CB-CD1 4.2Å; C19-C90 VanDerWaalsContact CA-SG 3.59Å |
| 20 | G | 93.2 | Very high | 88.5 | Confident | 24 Ų | 24 | 94.6 Ų | 94.6 | 25% | 0.247 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 170.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S89 C90 | G20-S89 VanDerWaalsContact CA-OG 3.3Å; G20-S89 WeakPolarHBondContact CA-OG 3.36Å; G20-S89 PolarHBondContact N-OG 2.98Å; G20-C90 PolarHBondContact N-SG 2.65Å |
| 21 | V | 92.7 | Very high | 89.1 | Confident | 58 Ų | 58 | 91.9 Ų | 91.9 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | trans | -106.9 | 135.6 | 167.7 | 169.3 | 0 | 0 | 0 | 0 | 108.9 | F3 E23 F24 | F3-V21 HydrophobicContact CD2-CB 4.41Å; F3-V21 HydrophobicContact CD2-CG2 3.43Å; F3-V21 VanDerWaalsContact CD2-CG2 3.43Å; F3-V21 HydrophobicContact CE2-CB 3.95Å; F3-V21 HydrophobicContact CE2-CG2 3.18Å; F3-V21 HydrophobicContact CG-CG2 4.47Å; F3-V21 HydrophobicContact CZ-CG2 4.07Å; V21-E23 WeakPolarHBondContact CG1-O 3.28Å; V21-F24 HydrophobicContact CB-CE1 4.19Å; V21-F24 HydrophobicContact CB-CE2 4.21Å; V21-F24 HydrophobicContact CB-CZ 3.78Å; V21-F24 HydrophobicContact CG1-CD1 4Å; V21-F24 HydrophobicContact CG1-CD2 3.95Å; V21-F24 HydrophobicContact CG1-CE1 3.66Å; V21-F24 HydrophobicContact CG1-CE2 3.6Å; V21-F24 HydrophobicContact CG1-CG 4.15Å; V21-F24 HydrophobicContact CG1-CZ 3.46Å; V21-F24 VanDerWaalsContact CG1-CZ 3.46Å; V21-F24 HydrophobicContact CG2-CE1 4.03Å; V21-F24 HydrophobicContact CG2-CZ 4Å | ||
| 22 | L | 91.4 | Very high | 89.7 | Confident | 166 Ų | 166 | 94.8 Ų | 94.8 | 87% | 0.869 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -82.2 | -55.6 | 172.3 | -174.3 | 62.2 | 0 | 0 | 0 | 110.1 | ||
| 23 | E | 92.4 | Very high | 90.5 | Very high | 123 Ų | 123 | 96.1 Ų | 96.1 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | trans | -148.4 | 155.8 | -176.2 | -71 | 174.7 | -168.8 | 0 | 0 | 111.8 | V21 H25 | V21-E23 WeakPolarHBondContact CG1-O 3.28Å; E23-H25 WeakPolarHBondContact CB-ND1 3.3Å; E23-H25 IonicContact OE2-CE1 3.35Å; E23-H25 PolarHBondContact OE2-CE1 3.41Å; E23-H25 IonicContact OE2-CG 3.98Å; E23-H25 IonicContact OE2-ND1 2.86Å; E23-H25 PolarHBondContact OE2-ND1 3.35Å | ||
| 24 | F | 90.8 | Very high | 91.1 | Very high | 157 Ų | 157 | 90.4 Ų | 90.4 | 69% | 0.689 | 47% | 0.472 | S | S | * | . | trans | -114.6 | 62.6 | 177.5 | -62.2 | -83.6 | 0 | 0 | 0 | 110.6 | M1 F3 V21 | M1-F24 HydrophobicContact SD-CZ 4.31Å; F3-F24 HydrophobicContact CE2-CZ 4.25Å; F3-F24 HydrophobicContact CZ-CE1 4.26Å; F3-F24 HydrophobicContact CZ-CZ 4.12Å; V21-F24 HydrophobicContact CB-CE1 4.19Å; V21-F24 HydrophobicContact CB-CE2 4.21Å; V21-F24 HydrophobicContact CB-CZ 3.78Å; V21-F24 HydrophobicContact CG1-CD1 4Å; V21-F24 HydrophobicContact CG1-CD2 3.95Å; V21-F24 HydrophobicContact CG1-CE1 3.66Å; V21-F24 HydrophobicContact CG1-CE2 3.6Å; V21-F24 HydrophobicContact CG1-CG 4.15Å; V21-F24 HydrophobicContact CG1-CZ 3.46Å; V21-F24 VanDerWaalsContact CG1-CZ 3.46Å; V21-F24 HydrophobicContact CG2-CE1 4.03Å; V21-F24 HydrophobicContact CG2-CZ 4Å | ||
| 25 | H | 90.3 | Very high | 91.5 | Very high | 122 Ų | 122 | 90.8 Ų | 90.8 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | trans | -107.7 | -0.5 | 179.3 | 65.4 | -101 | 0 | 0 | 0 | 113.3 | E23 | E23-H25 WeakPolarHBondContact CB-ND1 3.3Å; E23-H25 IonicContact OE2-CE1 3.35Å; E23-H25 PolarHBondContact OE2-CE1 3.41Å; E23-H25 IonicContact OE2-CG 3.98Å; E23-H25 IonicContact OE2-ND1 2.86Å; E23-H25 PolarHBondContact OE2-ND1 3.35Å | ||
| 26 | Q | 90 | Very high | 91.4 | Very high | 62 Ų | 62 | 89.3 Ų | 89.3 | 29% | 0.29 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -81.9 | 153 | -177.5 | -70 | -52.1 | -48.8 | 0 | 0 | 113.2 | Y32 | Q26-Y32 HydrophobicContact CG-CD2 3.68Å; Q26-Y32 HydrophobicContact CG-CE2 3.95Å |
| 27 | V | 90.9 | Very high | 91.3 | Very high | 105 Ų | 105 | 85.2 Ų | 85.2 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 144.3 | 173.5 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | L30 | V27-L30 HydrophobicContact CB-CD1 4.35Å; V27-L30 PolarHBondContact O-N 3.11Å; V27-L30 VanDerWaalsContact O-N 3.11Å |
| 28 | E | 89.9 | Confident | 91.1 | Very high | 187 Ų | 187 | 87.4 Ų | 87.4 | 87% | 0.874 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 140.8 | 177.1 | -62.2 | -179.2 | 170.1 | 0 | 0 | 111.5 | L30 | E28-L30 PolarHBondContact O-N 3.01Š|
| 29 | G | 89.8 | Confident | 90.9 | Very high | 75 Ų | 75 | 89.9 Ų | 89.9 | 77% | 0.773 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -4.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 30 | L | 91.7 | Very high | 90.6 | Very high | 111 Ų | 111 | 89.4 Ų | 89.4 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | trans | -116.9 | 139.5 | 175.1 | -65 | 172.1 | 0 | 0 | 0 | 111 | V27 E28 | V27-L30 HydrophobicContact CB-CD1 4.35Å; V27-L30 PolarHBondContact O-N 3.11Å; V27-L30 VanDerWaalsContact O-N 3.11Å; E28-L30 PolarHBondContact O-N 3.01Å | ||
| 31 | C | 91.8 | Very high | 90.5 | Very high | 66 Ų | 66 | 88.3 Ų | 88.3 | 45% | 0.446 | 46% | 0.455 | S | S | . | . | trans | -135 | 142.7 | 169.7 | 68.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 32 | Y | 93.4 | Very high | 90.4 | Very high | 176 Ų | 176 | 90 Ų | 90 | 69% | 0.69 | 46% | 0.462 | S | S | * | . | trans | -99.5 | 128.5 | 172.8 | -69.5 | -47.3 | 0 | 0 | 0 | 110.2 | Q26 | Q26-Y32 HydrophobicContact CG-CD2 3.68Å; Q26-Y32 HydrophobicContact CG-CE2 3.95Å | ||
| 33 | L | 91.8 | Very high | 90.3 | Very high | 33 Ų | 33 | 83 Ų | 83 | 17% | 0.173 | 43% | 0.425 | C | S | . | . | trans | -116.3 | 145.4 | 177.3 | -57.2 | 179.4 | 0 | 0 | 0 | 109 | I5 L37 M38 L43 | I5-L33 HydrophobicContact CD1-CD1 4.24Å; I5-L33 HydrophobicContact CD1-CD2 3.41Å; I5-L33 VanDerWaalsContact CD1-CD2 3.41Å; I5-L33 HydrophobicContact CD1-CG 4.49Å; L33-L37 HydrophobicContact CB-CD2 3.91Å; L33-L37 HydrophobicContact CD1-CD2 3.72Å; L33-L37 HydrophobicContact CD2-CD2 3.96Å; L33-L37 HydrophobicContact CG-CD2 4.06Å; L33-M38 HydrophobicContact CB-CE 4.4Å; L33-M38 HydrophobicContact CB-CG 4.02Å; L33-M38 WeakPolarHBondContact O-CE 3.49Å; L33-L43 HydrophobicContact CD1-CD1 4.07Å | ||
| 34 | P | 89.8 | Confident | 90.1 | Very high | 63 Ų | 63 | 81.9 Ų | 81.9 | 41% | 0.409 | 43% | 0.43 | S | S | . | . | trans | -61.1 | 146.9 | 169.1 | -24.3 | 35.1 | 0 | 0 | 0 | 111.4 | W36 L37 M38 | P34-W36 VanDerWaalsContact C-N 3.28Å; P34-W36 VanDerWaalsContact CB-CD1 3.47Å; P34-W36 HydrophobicContact CB-CD2 4.49Å; P34-W36 HydrophobicContact CB-CG 4.25Å; P34-W36 HydrophobicContact CG-CZ2 4.46Å; P34-W36 PolarHBondContact O-N 2.9Å; P34-L37 WeakPolarHBondContact O-CB 3.12Å; P34-L37 PolarHBondContact O-N 3.1Å; P34-M38 PolarHBondContact O-N 2.85Å; P34-M38 VanDerWaalsContact O-N 3.13Å | ||
| 35 | H | 88.3 | Confident | 90.2 | Very high | 132 Ų | 132 | 83.1 Ų | 83.1 | 61% | 0.611 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.9 | -41.3 | -178.7 | -177.2 | 66.7 | 0 | 0 | 0 | 113.2 | L37 M38 N39 | H35-L37 VanDerWaalsContact C-N 3.25Å; H35-L37 PolarHBondContact O-N 2.91Å; H35-M38 WeakPolarHBondContact O-CB 3.37Å; H35-M38 PolarHBondContact O-N 2.97Å; H35-N39 PolarHBondContact CD2-ND2 3.49Å; H35-N39 PolarHBondContact NE2-ND2 3.22Å; H35-N39 PolarHBondContact O-N 2.82Å |
| 36 | W | 87.6 | Confident | 90.1 | Very high | 75 Ų | 75 | 81.3 Ų | 81.3 | 28% | 0.284 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.2 | -35.1 | 177 | 66.1 | -98.2 | 0 | 0 | 0 | 112.7 | P34 N39 N40 F88 F97 | P34-W36 VanDerWaalsContact C-N 3.28Å; P34-W36 VanDerWaalsContact CB-CD1 3.47Å; P34-W36 HydrophobicContact CB-CD2 4.49Å; P34-W36 HydrophobicContact CB-CG 4.25Å; P34-W36 HydrophobicContact CG-CZ2 4.46Å; P34-W36 PolarHBondContact O-N 2.9Å; W36-N39 PolarHBondContact O-N 2.87Å; W36-N40 PolarHBondContact O-N 3.22Å; W36-F88 HydrophobicContact CH2-CD1 4.4Å; W36-F88 HydrophobicContact CH2-CE1 4.15Å; W36-F88 HydrophobicContact CZ2-CD1 4.25Å; W36-F88 AromaticContact CZ2-CE1 3.77Å; W36-F88 HydrophobicContact CZ2-CE1 3.77Å; W36-F97 HydrophobicContact CE3-CB 4.2Å; W36-F97 HydrophobicContact CZ3-CB 4.28Å |
| 37 | L | 90.1 | Very high | 90 | Very high | 3 Ų | 3 | 79.9 Ų | 79.9 | 2% | 0.016 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -75.6 | -36.4 | -179.4 | -170.8 | 134.3 | 0 | 0 | 0 | 111 | I5 T17 C19 L33 P34 H35 N39 N40 L41 | I5-L37 HydrophobicContact CD1-CD2 4.35Å; T17-L37 HydrophobicContact CG2-CD1 3.75Å; T17-L37 HydrophobicContact CG2-CD2 4Å; T17-L37 HydrophobicContact CG2-CG 3.83Å; C19-L37 HydrophobicContact CB-CD1 4.2Å; L33-L37 HydrophobicContact CB-CD2 3.91Å; L33-L37 HydrophobicContact CD1-CD2 3.72Å; L33-L37 HydrophobicContact CD2-CD2 3.96Å; L33-L37 HydrophobicContact CG-CD2 4.06Å; P34-L37 WeakPolarHBondContact O-CB 3.12Å; P34-L37 PolarHBondContact O-N 3.1Å; H35-L37 VanDerWaalsContact C-N 3.25Å; H35-L37 PolarHBondContact O-N 2.91Å; L37-N39 VanDerWaalsContact C-N 3.34Å; L37-N40 PolarHBondContact O-N 3.2Å; L37-L41 HydrophobicContact CD2-CD1 3.88Å; L37-L41 WeakPolarHBondContact O-CG 3.16Å; L37-L41 PolarHBondContact O-N 3.49Å; L37-L41 VanDerWaalsContact O-N 3.1Å |
| 38 | M | 90.3 | Very high | 90 | Very high | 46 Ų | 46 | 79.8 Ų | 79.8 | 23% | 0.227 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 169.4 | -60.2 | -172.6 | -137.2 | 0 | 0 | 111.1 | L33 P34 H35 N40 L41 L42 L43 | L33-M38 HydrophobicContact CB-CE 4.4Å; L33-M38 HydrophobicContact CB-CG 4.02Å; L33-M38 WeakPolarHBondContact O-CE 3.49Å; P34-M38 PolarHBondContact O-N 2.85Å; P34-M38 VanDerWaalsContact O-N 3.13Å; H35-M38 WeakPolarHBondContact O-CB 3.37Å; H35-M38 PolarHBondContact O-N 2.97Å; M38-N40 PolarHBondContact O-N 2.72Å; M38-L41 CarbonylContact O-C 3.25Å; M38-L41 PolarHBondContact O-N 3.09Å; M38-L42 PolarHBondContact O-N 3.33Å; M38-L43 HydrophobicContact CB-CB 4.29Å; M38-L43 PolarHBondContact O-N 3.02Å |
| 39 | N | 88.6 | Confident | 90.1 | Very high | 81 Ų | 81 | 72.4 Ų | 72.4 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 177.8 | -69.1 | -12.4 | 0 | 0 | 0 | 112.1 | H35 W36 L37 L41 L42 | H35-N39 PolarHBondContact CD2-ND2 3.49Å; H35-N39 PolarHBondContact NE2-ND2 3.22Å; H35-N39 PolarHBondContact O-N 2.82Å; W36-N39 PolarHBondContact O-N 2.87Å; L37-N39 VanDerWaalsContact C-N 3.34Å; N39-L41 PolarHBondContact O-N 3.49Å; N39-L42 PolarHBondContact O-N 2.83Å |
| 40 | N | 88.3 | Confident | 90.3 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 6% | 0.064 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 175.1 | -75.8 | -13 | 0 | 0 | 0 | 112.4 | R15 W36 L37 M38 L42 M96 | R15-N40 VanDerWaalsContact CD-O 3.23Å; R15-N40 WeakPolarHBondContact CD-O 3.42Å; R15-N40 PolarHBondContact NH1-O 3.18Å; W36-N40 PolarHBondContact O-N 3.22Å; L37-N40 PolarHBondContact O-N 3.2Å; M38-N40 PolarHBondContact O-N 2.72Å; N40-L42 VanDerWaalsContact C-N 3.26Å; N40-L42 PolarHBondContact O-N 3.04Å; N40-M96 VanDerWaalsContact CG-O 3.26Å; N40-M96 PolarHBondContact ND2-N 2.82Å; N40-M96 PolarHBondContact ND2-O 2.72Å; N40-M96 WeakPolarHBondContact OD1-CB 3.35Å; N40-M96 PolarHBondContact OD1-N 3.34Å; N40-M96 PolarHBondContact OD1-O 2.85Å |
| 41 | L | 90.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -79.8 | -6.1 | -179.5 | -67.5 | 178.1 | 0 | 0 | 0 | 113.5 | I5 N7 R15 T17 L37 M38 N39 L43 | I5-L41 HydrophobicContact CB-CD1 4.23Å; I5-L41 HydrophobicContact CG2-CD1 3.63Å; N7-L41 PolarHBondContact ND2-O 3.16Å; R15-L41 HydrophobicContact CB-CD2 4.18Å; T17-L41 HydrophobicContact CG2-CD1 3.67Å; T17-L41 HydrophobicContact CG2-CD2 3.8Å; T17-L41 HydrophobicContact CG2-CG 3.83Å; L37-L41 HydrophobicContact CD2-CD1 3.88Å; L37-L41 WeakPolarHBondContact O-CG 3.16Å; L37-L41 PolarHBondContact O-N 3.49Å; L37-L41 VanDerWaalsContact O-N 3.1Å; M38-L41 CarbonylContact O-C 3.25Å; M38-L41 PolarHBondContact O-N 3.09Å; N39-L41 PolarHBondContact O-N 3.49Å; L41-L43 VanDerWaalsContact C-N 3.26Å; L41-L43 HydrophobicContact CB-CD1 3.62Å; L41-L43 HydrophobicContact CB-CG 3.7Å; L41-L43 HydrophobicContact CD1-CD1 3.54Å; L41-L43 HydrophobicContact CD1-CG 4.48Å; L41-L43 HydrophobicContact CG-CD1 4.25Å; L41-L43 PolarHBondContact O-N 3.1Å |
| 42 | L | 90.7 | Very high | 90.6 | Very high | 94 Ų | 94 | 70.6 Ų | 70.6 | 49% | 0.492 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 42.8 | -172 | -55.9 | 173.8 | 0 | 0 | 0 | 112 | A12 M38 N39 N40 | A12-L42 HydrophobicContact CB-CB 4.49Å; M38-L42 PolarHBondContact O-N 3.33Å; N39-L42 PolarHBondContact O-N 2.83Å; N40-L42 VanDerWaalsContact C-N 3.26Å; N40-L42 PolarHBondContact O-N 3.04Å |
| 43 | L | 90.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 10% | 0.099 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 142.6 | 177.7 | -70.1 | 166.1 | 0 | 0 | 0 | 110.8 | N7 L33 M38 L41 V49 | N7-L43 HydrophobicContact CB-CD2 4.07Å; N7-L43 WeakPolarHBondContact ND2-CD2 3.33Å; L33-L43 HydrophobicContact CD1-CD1 4.07Å; M38-L43 HydrophobicContact CB-CB 4.29Å; M38-L43 PolarHBondContact O-N 3.02Å; L41-L43 VanDerWaalsContact C-N 3.26Å; L41-L43 HydrophobicContact CB-CD1 3.62Å; L41-L43 HydrophobicContact CB-CG 3.7Å; L41-L43 HydrophobicContact CD1-CD1 3.54Å; L41-L43 HydrophobicContact CD1-CG 4.48Å; L41-L43 HydrophobicContact CG-CD1 4.25Å; L41-L43 PolarHBondContact O-N 3.1Å; L43-V49 HydrophobicContact CD1-CG1 3.38Å; L43-V49 HydrophobicContact CD2-CG1 3.55Å; L43-V49 HydrophobicContact CG-CG1 4.12Å |
| 44 | C | 88.4 | Confident | 90.8 | Very high | 99 Ų | 99 | 67.9 Ų | 67.9 | 67% | 0.669 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -95.8 | 160.4 | 164.4 | -64.2 | 0 | 0 | 0 | 0 | 110.2 | G46 G47 | C44-G46 PolarHBondContact O-N 3.46Å; C44-G47 PolarHBondContact O-N 3.39Å |
| 45 | E | 90.9 | Very high | 91 | Very high | 184 Ų | 184 | 74.7 Ų | 74.7 | 86% | 0.86 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 132.4 | 171.6 | -63.4 | 176.6 | -177.9 | 0 | 0 | 110.2 | G47 | E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 2.88Å |
| 46 | G | 88.9 | Confident | 91.2 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 86% | 0.856 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 1.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | C44 | C44-G46 PolarHBondContact O-N 3.46Š|
| 47 | G | 88.3 | Confident | 91.4 | Very high | 32 Ų | 32 | 73.1 Ų | 73.1 | 33% | 0.33 | 41% | 0.414 | S | S | . | . | trans | -63.2 | 143.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C44 E45 | C44-G47 PolarHBondContact O-N 3.39Å; E45-G47 VanDerWaalsContact C-N 3.26Å; E45-G47 PolarHBondContact O-N 2.88Å | ||
| 48 | L | 90.7 | Very high | 91.4 | Very high | 103 Ų | 103 | 80.8 Ų | 80.8 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | trans | -84.2 | 133.3 | 178.2 | -67.4 | 174.1 | 0 | 0 | 0 | 110.6 | L8 | L8-L48 HydrophobicContact CD1-CB 4.26Š| ||
| 49 | V | 92.7 | Very high | 91.3 | Very high | 32 Ų | 32 | 80.7 Ų | 80.7 | 19% | 0.194 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 144.7 | 177.2 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | I5 T6 L43 V51 | I5-V49 HydrophobicContact CG2-CB 3.81Å; I5-V49 HydrophobicContact CG2-CG1 3.99Å; I5-V49 HydrophobicContact CG2-CG2 4.2Å; T6-V49 WeakPolarHBondContact O-CA 3.23Å; L43-V49 HydrophobicContact CD1-CG1 3.38Å; L43-V49 HydrophobicContact CD2-CG1 3.55Å; L43-V49 HydrophobicContact CG-CG1 4.12Å; V49-V51 HydrophobicContact CG2-CG2 4.15Å |
| 50 | N | 93.6 | Very high | 91.3 | Very high | 60 Ų | 60 | 82 Ų | 82 | 32% | 0.321 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.5 | 170.4 | 174.7 | 8.8 | 0 | 0 | 0 | 109.5 | I5 T6 L8 | I5-N50 WeakPolarHBondContact CA-O 3.48Å; T6-N50 PolarHBondContact N-O 2.96Å; T6-N50 PolarHBondContact O-N 2.97Å; T6-N50 VanDerWaalsContact OG1-CB 3.28Å; T6-N50 WeakPolarHBondContact OG1-CB 3.45Å; T6-N50 PolarHBondContact OG1-O 2.86Å; L8-N50 HydrophobicContact CD1-CB 4.15Å; L8-N50 HydrophobicContact CD2-CB 3.8Å; L8-N50 HydrophobicContact CG-CB 4.03Å |
| 51 | V | 94.3 | Very high | 91.4 | Very high | 69 Ų | 69 | 87.2 Ų | 87.2 | 42% | 0.418 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.6 | -175.7 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | F3 K4 I5 V49 | F3-V51 HydrophobicContact CB-CG1 4Å; F3-V51 HydrophobicContact CD1-CG1 3.69Å; F3-V51 HydrophobicContact CG-CG1 4.12Å; K4-V51 WeakPolarHBondContact O-CA 3.45Å; I5-V51 HydrophobicContact CG1-CG2 4.42Å; V49-V51 HydrophobicContact CG2-CG2 4.15Å |
| 52 | Q | 94.8 | Very high | 91.2 | Very high | 86 Ų | 86 | 89.6 Ų | 89.6 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 135.6 | -179.4 | -63.9 | -179.8 | -14.2 | 0 | 0 | 110.8 | F3 K4 V54 | F3-Q52 CarbonylContact C-O 3.56Å; F3-Q52 VanDerWaalsContact CA-O 3.22Å; F3-Q52 WeakPolarHBondContact CA-O 3.23Å; K4-Q52 HydrophobicContact CB-CB 4.42Å; K4-Q52 PolarHBondContact N-O 2.94Å; K4-Q52 PolarHBondContact O-N 3.21Å; Q52-V54 HydrophobicContact CB-CG2 4.45Å; Q52-V54 PolarHBondContact O-N 3.44Å |
| 53 | L | 95.7 | Very high | 90.9 | Very high | 112 Ų | 112 | 89 Ų | 89 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 124 | 171.4 | 176.7 | 58.7 | 0 | 0 | 0 | 110 | M1 M2 F3 | M1-L53 HydrophobicContact CE-CD1 3.48Å; M1-L53 VanDerWaalsContact CE-CD1 3.48Å; M1-L53 HydrophobicContact CE-CD2 3.78Å; M1-L53 HydrophobicContact CE-CG 4.18Å; M1-L53 HydrophobicContact CG-CD1 3.56Å; M1-L53 HydrophobicContact SD-CD1 4.36Å; M2-L53 WeakPolarHBondContact O-CD1 3.48Å; F3-L53 HydrophobicContact CE1-CB 4.48Å; F3-L53 HydrophobicContact CE1-CD1 4.3Å |
| 54 | V | 95.2 | Very high | 90.7 | Very high | 39 Ų | 39 | 90.2 Ų | 90.2 | 24% | 0.236 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144.5 | -178.3 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | M2 K4 Q52 L56 | M2-V54 WeakPolarHBondContact CB-O 3.42Å; M2-V54 PolarHBondContact O-N 2.88Å; M2-V54 VanDerWaalsContact O-O 3.14Å; K4-V54 HydrophobicContact CB-CG2 3.63Å; Q52-V54 HydrophobicContact CB-CG2 4.45Å; Q52-V54 PolarHBondContact O-N 3.44Å; V54-L56 HydrophobicContact CG1-CD2 3.72Å; V54-L56 HydrophobicContact CG1-CG 4.12Å |
| 55 | K | 93.6 | Very high | 90.6 | Very high | 207 Ų | 207 | 91.1 Ų | 91.1 | 90% | 0.9 | 50% | 0.502 | S | S | * | . | trans | -99.7 | 117.9 | 167 | -68.4 | -178.4 | -179.6 | 175 | 0 | 108.5 | ||||
| 56 | L | 91.2 | Very high | 90.2 | Very high | 67 Ų | 67 | 84.7 Ų | 84.7 | 35% | 0.351 | 48% | 0.476 | S | S | . | . | trans | -105.8 | 139.2 | 179.7 | -63.7 | 175.6 | 0 | 0 | 0 | 110.6 | M2 H18 V54 | M2-L56 HydrophobicContact CB-CD1 4.32Å; M2-L56 HydrophobicContact CE-CD1 4.16Å; H18-L56 HydrophobicContact CB-CD1 3.84Å; V54-L56 HydrophobicContact CG1-CD2 3.72Å; V54-L56 HydrophobicContact CG1-CG 4.12Å | ||
| 57 | P | 92 | Very high | 89.8 | Confident | 107 Ų | 107 | 84.9 Ų | 84.9 | 70% | 0.695 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 158 | 171.8 | 31.3 | -34.5 | 0 | 0 | 0 | 111.2 | G59 | P57-G59 PolarHBondContact O-N 3.47Š|
| 58 | I | 91.3 | Very high | 89.3 | Confident | 163 Ų | 163 | 86.4 Ų | 86.4 | 84% | 0.836 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 126.4 | 174.5 | -61.2 | 171.6 | 0 | 0 | 0 | 108.6 | ||
| 59 | G | 86.9 | Confident | 88.6 | Confident | 44 Ų | 44 | 86.4 Ų | 86.4 | 45% | 0.454 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 137.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P57 | P57-G59 PolarHBondContact O-N 3.47Š|
| 60 | T | 90.3 | Very high | 87.7 | Confident | 109 Ų | 109 | 88.2 Ų | 88.2 | 67% | 0.669 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -88.9 | -29.5 | 176.2 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 61 | Y | 88.6 | Confident | 86.9 | Confident | 121 Ų | 121 | 87.1 Ų | 87.1 | 48% | 0.475 | 47% | 0.465 | S | S | . | . | trans | -152.6 | 141.6 | -173.3 | 176.8 | -102.3 | 0 | 0 | 0 | 111.7 | K63 | Y61-K63 HydrophobicContact CE1-CD 3.66Å; Y61-K63 VanDerWaalsContact CE1-CE 3.43Å; Y61-K63 HydrophobicContact CE1-CG 3.47Å; Y61-K63 VanDerWaalsContact CE1-CG 3.47Å; Y61-K63 WeakPolarHBondContact OH-CE 3.02Å; Y61-K63 WeakPolarHBondContact OH-CG 3.46Å | ||
| 62 | V | 86.8 | Confident | 86.2 | Confident | 51 Ų | 51 | 88.7 Ų | 88.7 | 31% | 0.309 | 48% | 0.479 | S | S | . | . | trans | -136.6 | 130 | 179.6 | 179 | 0 | 0 | 0 | 0 | 109.5 | L64 L91 V112 | V62-L64 HydrophobicContact CG1-CD2 3.64Å; V62-L64 HydrophobicContact CG1-CG 4Å; V62-L91 HydrophobicContact CG1-CD1 4.03Å; V62-L91 HydrophobicContact CG2-CD1 4.23Å; V62-V112 HydrophobicContact CG1-CG2 4.43Å; V62-V112 HydrophobicContact CG2-CG2 4.38Å | ||
| 63 | K | 85.5 | Confident | 85.6 | Confident | 82 Ų | 82 | 94.3 Ų | 94.3 | 36% | 0.357 | 50% | 0.496 | S | S | . | . | trans | -95.1 | 124.2 | 168.9 | -79.8 | 154.4 | 176.4 | 150.4 | 0 | 108.7 | Y61 P110 E113 | Y61-K63 HydrophobicContact CE1-CD 3.66Å; Y61-K63 VanDerWaalsContact CE1-CE 3.43Å; Y61-K63 HydrophobicContact CE1-CG 3.47Å; Y61-K63 VanDerWaalsContact CE1-CG 3.47Å; Y61-K63 WeakPolarHBondContact OH-CE 3.02Å; Y61-K63 WeakPolarHBondContact OH-CG 3.46Å; K63-P110 WeakPolarHBondContact CB-O 3.48Å; K63-P110 WeakPolarHBondContact O-CD 3.14Å; K63-P110 VanDerWaalsContact O-O 3.04Å; K63-E113 IonicContact NZ-OE2 2.9Å; K63-E113 PolarHBondContact NZ-OE2 3.1Å | ||
| 64 | L | 86 | Confident | 84.9 | Confident | 44 Ų | 44 | 90.4 Ų | 90.4 | 23% | 0.23 | 48% | 0.476 | C | S | . | . | trans | -113.9 | 137.7 | 176.1 | -61.2 | 179.7 | 0 | 0 | 0 | 109 | V62 L81 L85 F97 T109 | V62-L64 HydrophobicContact CG1-CD2 3.64Å; V62-L64 HydrophobicContact CG1-CG 4Å; L64-L81 HydrophobicContact CD1-CD2 4.13Å; L64-L85 HydrophobicContact CD1-CD1 4.08Å; L64-L85 HydrophobicContact CD1-CD2 4.41Å; L64-F97 HydrophobicContact CD1-CZ 4.12Å; L64-F97 HydrophobicContact CD2-CE1 3.93Å; L64-F97 HydrophobicContact CD2-CZ 4.02Å; L64-T109 HydrophobicContact CD2-CG2 3.72Å | ||
| 65 | K | 84.5 | Confident | 84.5 | Confident | 119 Ų | 119 | 93.3 Ų | 93.3 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117.5 | 173.3 | 173.2 | -178.4 | -179.9 | -168.2 | 0 | 108.8 | D108 P110 | K65-D108 PolarHBondContact N-O 3.29Å; K65-D108 PolarHBondContact O-N 3.13Å; K65-P110 HydrophobicContact CB-CG 3.56Å; K65-P110 VanDerWaalsContact N-CD 3.3Å |
| 66 | P | 84.1 | Confident | 84.3 | Confident | 48 Ų | 48 | 88.4 Ų | 88.4 | 31% | 0.312 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 136.9 | 172.8 | 29.9 | -34.2 | 0 | 0 | 0 | 109.8 | L71 F107 | P66-L71 HydrophobicContact CB-CB 4.06Å; P66-L71 HydrophobicContact CB-CD2 4.12Å; P66-L71 HydrophobicContact CG-CB 4.41Å; P66-L71 HydrophobicContact CG-CD2 3.91Å; P66-F107 HydrophobicContact CB-CD1 4.11Å; P66-F107 HydrophobicContact CB-CE1 4.03Å |
| 67 | Q | 80.1 | Confident | 84.1 | Confident | 88 Ų | 88 | 87.1 Ų | 87.1 | 41% | 0.411 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -78.1 | -38.5 | 170.2 | -76.5 | -66.8 | -17.2 | 0 | 0 | 111.3 | E106 D108 | Q67-E106 HydrophobicContact CB-CB 4.15Å; Q67-E106 WeakPolarHBondContact CB-O 2.88Å; Q67-E106 HydrophobicContact CG-CB 4.48Å; Q67-E106 PolarHBondContact N-O 3.4Å; Q67-D108 VanDerWaalsContact CG-OD1 3.22Å; Q67-D108 WeakPolarHBondContact CG-OD1 3.43Å; Q67-D108 PolarHBondContact NE2-OD1 2.95Å; Q67-D108 PolarHBondContact NE2-OD2 3.23Å |
| 68 | N | 77.8 | Confident | 83.8 | Confident | 63 Ų | 63 | 86 Ų | 86 | 34% | 0.337 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -101.1 | 143.3 | -176 | -66.4 | -32.5 | 0 | 0 | 0 | 111.9 | L70 | N68-L70 HydrophobicContact CB-CB 4.46Å; N68-L70 HydrophobicContact CB-CG 4.37Å; N68-L70 PolarHBondContact O-N 3.38Å |
| 69 | C | 76.2 | Confident | 83.8 | Confident | 103 Ų | 103 | 80.8 Ų | 80.8 | 70% | 0.696 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -66.9 | -1 | 172.9 | -56.4 | 0 | 0 | 0 | 0 | 113.6 | L71 S72 | C69-L71 PolarHBondContact O-N 3.24Å; C69-S72 PolarHBondContact O-N 3.25Å; C69-S72 PolarHBondContact O-OG 3.47Å |
| 70 | L | 74.1 | Confident | 83.8 | Confident | 70 Ų | 70 | 79.4 Ų | 79.4 | 37% | 0.366 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -64.3 | -29.3 | -179.8 | -67.3 | 178.5 | 0 | 0 | 0 | 112.5 | N68 S72 R73 V105 | N68-L70 HydrophobicContact CB-CB 4.46Å; N68-L70 HydrophobicContact CB-CG 4.37Å; N68-L70 PolarHBondContact O-N 3.38Å; L70-S72 PolarHBondContact O-N 2.93Å; L70-R73 WeakPolarHBondContact O-CB 3.24Å; L70-R73 PolarHBondContact O-N 2.9Å; L70-V105 HydrophobicContact CB-CG2 3.81Å; L70-V105 HydrophobicContact CD1-CG2 4.27Å |
| 71 | L | 76.2 | Confident | 83.6 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 20% | 0.199 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -56.9 | -35.8 | 175.3 | -163.7 | 85.5 | 0 | 0 | 0 | 112.1 | P66 C69 R73 L74 P77 L81 F107 | P66-L71 HydrophobicContact CB-CB 4.06Å; P66-L71 HydrophobicContact CB-CD2 4.12Å; P66-L71 HydrophobicContact CG-CB 4.41Å; P66-L71 HydrophobicContact CG-CD2 3.91Å; C69-L71 PolarHBondContact O-N 3.24Å; L71-R73 PolarHBondContact O-N 3.45Å; L71-L74 PolarHBondContact O-N 3.38Å; L71-P77 HydrophobicContact CD1-CB 4.13Å; L71-P77 HydrophobicContact CD2-CB 4.33Å; L71-P77 HydrophobicContact CG-CB 3.93Å; L71-L81 HydrophobicContact CD1-CD1 4.47Å; L71-F107 HydrophobicContact CD1-CE1 3.51Å; L71-F107 HydrophobicContact CD1-CZ 3.34Å; L71-F107 HydrophobicContact CD2-CE1 4.34Å; L71-F107 HydrophobicContact CG-CE1 4.47Å |
| 72 | S | 79.3 | Confident | 83.7 | Confident | 102 Ų | 102 | 75.9 Ų | 75.9 | 71% | 0.713 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -75.3 | -10.9 | -177.8 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | C69 L70 | C69-S72 PolarHBondContact O-N 3.25Å; C69-S72 PolarHBondContact O-OG 3.47Å; L70-S72 PolarHBondContact O-N 2.93Å |
| 73 | R | 81.7 | Confident | 83.8 | Confident | 203 Ų | 203 | 79.3 Ų | 79.3 | 77% | 0.766 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -89.2 | -13 | 177.8 | -62.9 | -176.3 | 178.1 | 176.6 | -1.3 | 112.8 | L70 L71 | L70-R73 WeakPolarHBondContact O-CB 3.24Å; L70-R73 PolarHBondContact O-N 2.9Å; L71-R73 PolarHBondContact O-N 3.45Å |
| 74 | L | 82.3 | Confident | 83.9 | Confident | 31 Ų | 31 | 77.9 Ų | 77.9 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | trans | -79.4 | 138.3 | 180 | -177.5 | 53.6 | 0 | 0 | 0 | 110.2 | L71 P77 V80 Y101 | L71-L74 PolarHBondContact O-N 3.38Å; L74-P77 HydrophobicContact CD2-CB 4.28Å; L74-V80 HydrophobicContact CD1-CG2 4.16Å; L74-V80 HydrophobicContact CD2-CB 3.61Å; L74-V80 HydrophobicContact CD2-CG1 4.11Å; L74-V80 HydrophobicContact CD2-CG2 3.36Å; L74-V80 HydrophobicContact CG-CG2 4.26Å; L74-Y101 HydrophobicContact CD1-CD1 4.23Å; L74-Y101 HydrophobicContact CD1-CE1 3.4Å; L74-Y101 HydrophobicContact CD2-CD1 4.44Å; L74-Y101 HydrophobicContact CD2-CE1 4.33Å; L74-Y101 HydrophobicContact CG-CE1 4.46Å | ||
| 75 | S | 86.9 | Confident | 84 | Confident | 100 Ų | 100 | 78.1 Ų | 78.1 | 70% | 0.699 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -61.9 | -46.5 | 175.7 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | ||
| 76 | D | 88.8 | Confident | 84.2 | Confident | 103 Ų | 103 | 82.1 Ų | 82.1 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | trans | -129.5 | 75.6 | -173.1 | -58.6 | -62.4 | 0 | 0 | 0 | 111.4 | S78 A79 V80 | D76-S78 VanDerWaalsContact C-N 3.27Å; D76-S78 PolarHBondContact O-N 2.81Å; D76-A79 HydrophobicContact CB-CB 4.15Å; D76-A79 PolarHBondContact O-N 3.36Å; D76-V80 PolarHBondContact O-N 2.94Å | ||
| 77 | P | 87.1 | Confident | 84.4 | Confident | 41 Ų | 41 | 86.1 Ų | 86.1 | 27% | 0.266 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.4 | -33.3 | -177.2 | 24.4 | -33.9 | 0 | 0 | 0 | 113.4 | L71 L74 L81 | L71-P77 HydrophobicContact CD1-CB 4.13Å; L71-P77 HydrophobicContact CD2-CB 4.33Å; L71-P77 HydrophobicContact CG-CB 3.93Å; L74-P77 HydrophobicContact CD2-CB 4.28Å; P77-L81 WeakPolarHBondContact O-CB 3.46Å; P77-L81 WeakPolarHBondContact O-CG 3.44Å; P77-L81 PolarHBondContact O-N 3.44Å |
| 78 | S | 86.5 | Confident | 84.8 | Confident | 82 Ų | 82 | 84.2 Ų | 84.2 | 57% | 0.573 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -63.7 | -43.1 | 178.3 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | D76 V80 L81 E82 | D76-S78 VanDerWaalsContact C-N 3.27Å; D76-S78 PolarHBondContact O-N 2.81Å; S78-V80 PolarHBondContact O-N 3.14Å; S78-L81 PolarHBondContact O-N 3.44Å; S78-E82 WeakPolarHBondContact O-CG 3.22Å; S78-E82 PolarHBondContact O-N 3.14Å |
| 79 | A | 90.2 | Very high | 85.3 | Confident | 54 Ų | 54 | 84.9 Ų | 84.9 | 45% | 0.446 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D76 E82 Q83 | D76-A79 HydrophobicContact CB-CB 4.15Å; D76-A79 PolarHBondContact O-N 3.36Å; A79-E82 PolarHBondContact O-N 2.91Å; A79-Q83 WeakPolarHBondContact O-CB 3.3Å; A79-Q83 PolarHBondContact O-N 2.91Å |
| 80 | V | 86.6 | Confident | 86 | Confident | 16 Ų | 16 | 80.8 Ų | 80.8 | 10% | 0.097 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | L74 D76 S78 Q83 K84 Y101 | L74-V80 HydrophobicContact CD1-CG2 4.16Å; L74-V80 HydrophobicContact CD2-CB 3.61Å; L74-V80 HydrophobicContact CD2-CG1 4.11Å; L74-V80 HydrophobicContact CD2-CG2 3.36Å; L74-V80 HydrophobicContact CG-CG2 4.26Å; D76-V80 PolarHBondContact O-N 2.94Å; S78-V80 PolarHBondContact O-N 3.14Å; V80-Q83 PolarHBondContact O-N 3.22Å; V80-K84 HydrophobicContact CG1-CG 4.26Å; V80-K84 VanDerWaalsContact O-CB 3.31Å; V80-K84 WeakPolarHBondContact O-CB 3.22Å; V80-K84 WeakPolarHBondContact O-CG 3.26Å; V80-K84 PolarHBondContact O-N 3.2Å; V80-Y101 HydrophobicContact CB-CD2 4.24Å; V80-Y101 HydrophobicContact CB-CE2 4.38Å; V80-Y101 HydrophobicContact CG1-CD2 3.47Å; V80-Y101 VanDerWaalsContact CG1-CD2 3.47Å; V80-Y101 HydrophobicContact CG1-CE2 4.09Å; V80-Y101 HydrophobicContact CG1-CG 3.77Å; V80-Y101 HydrophobicContact CG2-CD2 3.68Å; V80-Y101 HydrophobicContact CG2-CE1 4.46Å; V80-Y101 HydrophobicContact CG2-CE2 3.36Å; V80-Y101 HydrophobicContact CG2-CG 4.34Å |
| 81 | L | 87.4 | Confident | 86.8 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 16% | 0.157 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 175.1 | -76.3 | 167.3 | 0 | 0 | 0 | 111.4 | L64 L71 P77 S78 Q83 K84 L85 I99 F107 | L64-L81 HydrophobicContact CD1-CD2 4.13Å; L71-L81 HydrophobicContact CD1-CD1 4.47Å; P77-L81 WeakPolarHBondContact O-CB 3.46Å; P77-L81 WeakPolarHBondContact O-CG 3.44Å; P77-L81 PolarHBondContact O-N 3.44Å; S78-L81 PolarHBondContact O-N 3.44Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; L81-Q83 PolarHBondContact O-N 3.21Å; L81-K84 PolarHBondContact O-N 3.02Å; L81-L85 HydrophobicContact CB-CD1 4.49Å; L81-L85 WeakPolarHBondContact O-CB 3.22Å; L81-L85 WeakPolarHBondContact O-CG 2.93Å; L81-L85 PolarHBondContact O-N 3.47Å; L81-I99 HydrophobicContact CD2-CD1 3.5Å; L81-F107 HydrophobicContact CD1-CE1 4.47Å; L81-F107 HydrophobicContact CD2-CD1 4.37Å; L81-F107 HydrophobicContact CD2-CE1 3.73Å; L81-F107 HydrophobicContact CD2-CE2 4.31Å; L81-F107 HydrophobicContact CD2-CZ 3.67Å |
| 82 | E | 88.9 | Confident | 87.5 | Confident | 125 Ų | 125 | 78.9 Ų | 78.9 | 58% | 0.584 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60 | -40.5 | 177.1 | -76.8 | -180 | -166.3 | 0 | 0 | 112.8 | S78 A79 R86 | S78-E82 WeakPolarHBondContact O-CG 3.22Å; S78-E82 PolarHBondContact O-N 3.14Å; A79-E82 PolarHBondContact O-N 2.91Å; E82-R86 WeakPolarHBondContact O-CG 3.33Å |
| 83 | Q | 89.5 | Confident | 87.9 | Confident | 124 Ų | 124 | 80.1 Ų | 80.1 | 58% | 0.579 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.9 | -43.6 | 177.5 | -176.1 | 178.3 | 0.2 | 0 | 0 | 111.4 | A79 V80 L81 | A79-Q83 WeakPolarHBondContact O-CB 3.3Å; A79-Q83 PolarHBondContact O-N 2.91Å; V80-Q83 PolarHBondContact O-N 3.22Å; L81-Q83 VanDerWaalsContact C-N 3.32Å; L81-Q83 PolarHBondContact O-N 3.21Å |
| 84 | K | 87.3 | Confident | 88.1 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 23% | 0.226 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -80.2 | -35.1 | -172.9 | -66.6 | -79 | 176.6 | 167.9 | 0 | 112.2 | V80 L81 R86 N87 F88 I99 E100 | V80-K84 HydrophobicContact CG1-CG 4.26Å; V80-K84 VanDerWaalsContact O-CB 3.31Å; V80-K84 WeakPolarHBondContact O-CB 3.22Å; V80-K84 WeakPolarHBondContact O-CG 3.26Å; V80-K84 PolarHBondContact O-N 3.2Å; L81-K84 PolarHBondContact O-N 3.02Å; K84-R86 PolarHBondContact O-N 2.88Å; K84-N87 WeakPolarHBondContact O-CB 3.5Å; K84-N87 PolarHBondContact O-N 3Å; K84-N87 VanDerWaalsContact O-N 3.08Å; K84-F88 WeakPolarHBondContact O-CD2 3.5Å; K84-I99 HydrophobicContact CB-CD1 4.18Å; K84-I99 HydrophobicContact CB-CG1 4.43Å; K84-I99 HydrophobicContact CB-CG2 3.51Å; K84-I99 HydrophobicContact CD-CG2 3.7Å; K84-I99 HydrophobicContact CG-CG2 3.33Å; K84-E100 WeakPolarHBondContact CE-O 3.35Å; K84-E100 PolarHBondContact NZ-O 3.02Å |
| 85 | L | 88.2 | Confident | 88.4 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.3 | -23.9 | 174.9 | -72 | 175.2 | 0 | 0 | 0 | 112.9 | L64 L81 N87 F88 L91 F97 | L64-L85 HydrophobicContact CD1-CD1 4.08Å; L64-L85 HydrophobicContact CD1-CD2 4.41Å; L81-L85 HydrophobicContact CB-CD1 4.49Å; L81-L85 WeakPolarHBondContact O-CB 3.22Å; L81-L85 WeakPolarHBondContact O-CG 2.93Å; L81-L85 PolarHBondContact O-N 3.47Å; L85-N87 PolarHBondContact O-N 2.78Å; L85-F88 PolarHBondContact O-N 3.01Å; L85-F88 VanDerWaalsContact O-O 3.1Å; L85-L91 HydrophobicContact CD2-CD1 4.21Å; L85-L91 HydrophobicContact CD2-CD2 4.38Å; L85-F97 HydrophobicContact CD2-CE2 3.89Å; L85-F97 HydrophobicContact CD2-CZ 3.82Å |
| 86 | R | 89.6 | Confident | 88.3 | Confident | 202 Ų | 202 | 71.7 Ų | 71.7 | 76% | 0.762 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.8 | 172.3 | -72.1 | 170.3 | -169.7 | -153.6 | 3.1 | 113.5 | E82 K84 F88 | E82-R86 WeakPolarHBondContact O-CG 3.33Å; K84-R86 PolarHBondContact O-N 2.88Å; R86-F88 VanDerWaalsContact C-N 3.29Å |
| 87 | N | 87.5 | Confident | 88 | Confident | 132 Ų | 132 | 67 Ų | 67 | 71% | 0.706 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15.8 | 178.3 | -62.9 | -12.2 | 0 | 0 | 0 | 112.3 | K84 L85 | K84-N87 WeakPolarHBondContact O-CB 3.5Å; K84-N87 PolarHBondContact O-N 3Å; K84-N87 VanDerWaalsContact O-N 3.08Å; L85-N87 PolarHBondContact O-N 2.78Å |
| 88 | F | 88.1 | Confident | 87.6 | Confident | 49 Ų | 49 | 66.8 Ų | 66.8 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | trans | -97.6 | 126.1 | 177.8 | -64.3 | -90.3 | 0 | 0 | 0 | 109.4 | W36 K84 L85 R86 L91 F97 | W36-F88 HydrophobicContact CH2-CD1 4.4Å; W36-F88 HydrophobicContact CH2-CE1 4.15Å; W36-F88 HydrophobicContact CZ2-CD1 4.25Å; W36-F88 AromaticContact CZ2-CE1 3.77Å; W36-F88 HydrophobicContact CZ2-CE1 3.77Å; K84-F88 WeakPolarHBondContact O-CD2 3.5Å; L85-F88 PolarHBondContact O-N 3.01Å; L85-F88 VanDerWaalsContact O-O 3.1Å; R86-F88 VanDerWaalsContact C-N 3.29Å; F88-L91 HydrophobicContact CB-CD2 4.48Å; F88-F97 HydrophobicContact CD2-CD2 4.47Å; F88-F97 HydrophobicContact CE1-CB 3.99Å; F88-F97 HydrophobicContact CE1-CD2 4.03Å; F88-F97 HydrophobicContact CE1-CG 4.27Å; F88-F97 AromaticContact CE2-CD2 3.84Å; F88-F97 HydrophobicContact CE2-CD2 3.84Å; F88-F97 HydrophobicContact CE2-CE2 4.21Å; F88-F97 HydrophobicContact CZ-CB 4.17Å; F88-F97 AromaticContact CZ-CD2 3.59Å; F88-F97 HydrophobicContact CZ-CD2 3.59Å; F88-F97 HydrophobicContact CZ-CE2 4.4Å; F88-F97 HydrophobicContact CZ-CG 4.25Å | ||
| 89 | S | 89 | Confident | 87.2 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 54% | 0.538 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -81 | -33.7 | 176.9 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | M2 G20 | M2-S89 WeakPolarHBondContact CE-O 3.28Å; G20-S89 VanDerWaalsContact CA-OG 3.3Å; G20-S89 WeakPolarHBondContact CA-OG 3.36Å; G20-S89 PolarHBondContact N-OG 2.98Å |
| 90 | C | 90.6 | Very high | 86.4 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 11% | 0.108 | 35% | 0.346 | C | S | . | . | trans | -132.1 | 152.5 | -174 | -40.9 | 0 | 0 | 0 | 0 | 109.7 | M2 H18 C19 G20 | M2-C90 HydrophobicContact CE-CB 3.98Å; M2-C90 WeakPolarHBondContact CE-SG 3.15Å; M2-C90 PolarHBondContact SD-SG 2.96Å; H18-C90 HydrophobicContact CB-CB 3.92Å; H18-C90 WeakPolarHBondContact O-CB 3.36Å; C19-C90 VanDerWaalsContact CA-SG 3.59Å; G20-C90 PolarHBondContact N-SG 2.65Å | ||
| 91 | L | 90.7 | Very high | 85.5 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | trans | -129.7 | 127.5 | 163.5 | -64 | 174.5 | 0 | 0 | 0 | 108.2 | V62 L85 F88 F97 | V62-L91 HydrophobicContact CG1-CD1 4.03Å; V62-L91 HydrophobicContact CG2-CD1 4.23Å; L85-L91 HydrophobicContact CD2-CD1 4.21Å; L85-L91 HydrophobicContact CD2-CD2 4.38Å; F88-L91 HydrophobicContact CB-CD2 4.48Å; L91-F97 HydrophobicContact CD2-CD1 4.41Å; L91-F97 HydrophobicContact CD2-CE1 4.08Å; L91-F97 HydrophobicContact CD2-CZ 4.33Å | ||
| 92 | T | 90.7 | Very high | 84.4 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.067 | 39% | 0.394 | C | S | . | . | trans | -100.9 | 143.3 | 170.8 | -36.3 | 0 | 0 | 0 | 0 | 108.8 | F16 H18 G94 D95 T109 | F16-T92 HydrophobicContact CD2-CG2 4.26Å; F16-T92 HydrophobicContact CE2-CG2 3.8Å; H18-T92 PolarHBondContact N-OG1 2.94Å; H18-T92 WeakPolarHBondContact ND1-CG2 3.34Å; H18-T92 PolarHBondContact ND1-OG1 2.95Å; T92-G94 PolarHBondContact O-N 3.38Å; T92-D95 WeakPolarHBondContact CB-OD2 3.2Å; T92-D95 PolarHBondContact O-N 2.62Å; T92-D95 PolarHBondContact OG1-OD2 3.33Å; T92-T109 PolarHBondContact O-OG1 3.37Å | ||
| 93 | K | 88.3 | Confident | 83 | Confident | 128 Ų | 128 | 73.6 Ų | 73.6 | 56% | 0.557 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 127.4 | 173.4 | 175.4 | -178.7 | 175.6 | -175.5 | 0 | 110.2 | F111 | K93-F111 HydrophobicContact CD-CD2 3.95Å; K93-F111 VanDerWaalsContact NZ-CD2 3.27Å |
| 94 | G | 86.1 | Confident | 81.5 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 60% | 0.598 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | 0.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | T92 T109 | T92-G94 PolarHBondContact O-N 3.38Å; G94-T109 PolarHBondContact N-O 3.03Å; G94-T109 PolarHBondContact N-OG1 2.97Å |
| 95 | D | 88.6 | Confident | 80.2 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 10% | 0.096 | 38% | 0.375 | C | S | . | . | trans | -74.3 | 148.6 | 171.2 | -75.6 | -9 | 0 | 0 | 0 | 110.8 | T17 T92 T109 | T17-D95 PolarHBondContact OG1-OD2 2.7Å; T92-D95 WeakPolarHBondContact CB-OD2 3.2Å; T92-D95 PolarHBondContact O-N 2.62Å; T92-D95 PolarHBondContact OG1-OD2 3.33Å; D95-T109 PolarHBondContact N-OG1 3.45Å; D95-T109 PolarHBondContact O-N 2.85Å; D95-T109 PolarHBondContact O-OG1 3.4Å | ||
| 96 | M | 85.3 | Confident | 79.2 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.2 | 171 | -53.8 | -178.4 | -66.3 | 0 | 0 | 109 | N40 F107 D108 | N40-M96 VanDerWaalsContact CG-O 3.26Å; N40-M96 PolarHBondContact ND2-N 2.82Å; N40-M96 PolarHBondContact ND2-O 2.72Å; N40-M96 WeakPolarHBondContact OD1-CB 3.35Å; N40-M96 PolarHBondContact OD1-N 3.34Å; N40-M96 PolarHBondContact OD1-O 2.85Å; M96-F107 CarbonylContact C-O 3.48Å; M96-F107 WeakPolarHBondContact CA-O 3.01Å; M96-D108 VanDerWaalsContact CG-OD1 3.26Å; M96-D108 WeakPolarHBondContact CG-OD1 2.89Å |
| 97 | F | 83.2 | Confident | 77.9 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143 | 177.2 | 64.9 | -80.8 | 0 | 0 | 0 | 110.3 | W36 L64 L85 F88 L91 I99 F107 T109 | W36-F97 HydrophobicContact CE3-CB 4.2Å; W36-F97 HydrophobicContact CZ3-CB 4.28Å; L64-F97 HydrophobicContact CD1-CZ 4.12Å; L64-F97 HydrophobicContact CD2-CE1 3.93Å; L64-F97 HydrophobicContact CD2-CZ 4.02Å; L85-F97 HydrophobicContact CD2-CE2 3.89Å; L85-F97 HydrophobicContact CD2-CZ 3.82Å; F88-F97 HydrophobicContact CD2-CD2 4.47Å; F88-F97 HydrophobicContact CE1-CB 3.99Å; F88-F97 HydrophobicContact CE1-CD2 4.03Å; F88-F97 HydrophobicContact CE1-CG 4.27Å; F88-F97 AromaticContact CE2-CD2 3.84Å; F88-F97 HydrophobicContact CE2-CD2 3.84Å; F88-F97 HydrophobicContact CE2-CE2 4.21Å; F88-F97 HydrophobicContact CZ-CB 4.17Å; F88-F97 AromaticContact CZ-CD2 3.59Å; F88-F97 HydrophobicContact CZ-CD2 3.59Å; F88-F97 HydrophobicContact CZ-CE2 4.4Å; F88-F97 HydrophobicContact CZ-CG 4.25Å; L91-F97 HydrophobicContact CD2-CD1 4.41Å; L91-F97 HydrophobicContact CD2-CE1 4.08Å; L91-F97 HydrophobicContact CD2-CZ 4.33Å; F97-I99 HydrophobicContact CD2-CD1 4.37Å; F97-I99 HydrophobicContact CD2-CG1 3.89Å; F97-I99 HydrophobicContact CE2-CD1 3.67Å; F97-I99 HydrophobicContact CE2-CG1 3.7Å; F97-F107 HydrophobicContact CD1-CB 4.49Å; F97-F107 HydrophobicContact CE1-CB 4.07Å; F97-F107 HydrophobicContact CE2-CB 4.46Å; F97-F107 HydrophobicContact CZ-CB 4.07Å; F97-F107 PolarHBondContact N-O 3.23Å; F97-F107 PolarHBondContact O-N 2.98Å; F97-T109 HydrophobicContact CD1-CG2 3.94Å; F97-T109 HydrophobicContact CE1-CG2 3.51Å |
| 98 | A | 77.9 | Confident | 76.8 | Confident | 37 Ų | 37 | 57.8 Ų | 57.8 | 31% | 0.306 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 134.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | E106 | A98-E106 HydrophobicContact CB-CG 4.23Å |
| 99 | I | 77 | Confident | 75.3 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.6 | 169.9 | -57.4 | -176.9 | 0 | 0 | 0 | 107.6 | L81 K84 F97 Y101 V105 F107 | L81-I99 HydrophobicContact CD2-CD1 3.5Å; K84-I99 HydrophobicContact CB-CD1 4.18Å; K84-I99 HydrophobicContact CB-CG1 4.43Å; K84-I99 HydrophobicContact CB-CG2 3.51Å; K84-I99 HydrophobicContact CD-CG2 3.7Å; K84-I99 HydrophobicContact CG-CG2 3.33Å; F97-I99 HydrophobicContact CD2-CD1 4.37Å; F97-I99 HydrophobicContact CD2-CG1 3.89Å; F97-I99 HydrophobicContact CE2-CD1 3.67Å; F97-I99 HydrophobicContact CE2-CG1 3.7Å; I99-Y101 PolarHBondContact O-N 3.35Å; I99-V105 PolarHBondContact N-O 2.99Å; I99-V105 PolarHBondContact O-N 3.11Å; I99-F107 HydrophobicContact CB-CD2 4.22Å; I99-F107 HydrophobicContact CB-CE2 3.8Å; I99-F107 HydrophobicContact CD1-CD2 3.61Å; I99-F107 HydrophobicContact CD1-CE2 3.34Å; I99-F107 HydrophobicContact CD1-CG 4.45Å; I99-F107 HydrophobicContact CD1-CZ 3.95Å; I99-F107 HydrophobicContact CG1-CD2 3.71Å; I99-F107 HydrophobicContact CG1-CE2 3.65Å |
| 100 | E | 74.6 | Confident | 73.4 | Confident | 143 Ų | 143 | 54.5 Ų | 54.5 | 67% | 0.668 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 116.4 | 173.7 | -63.4 | 174 | -177.4 | 0 | 0 | 109.9 | K84 | K84-E100 WeakPolarHBondContact CE-O 3.35Å; K84-E100 PolarHBondContact NZ-O 3.02Å |
| 101 | Y | 67.9 | Low | 71.2 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -150.7 | 105.4 | 171.6 | -173.1 | -88.1 | 0 | 0 | 0 | 110.2 | L74 V80 I99 G103 | L74-Y101 HydrophobicContact CD1-CD1 4.23Å; L74-Y101 HydrophobicContact CD1-CE1 3.4Å; L74-Y101 HydrophobicContact CD2-CD1 4.44Å; L74-Y101 HydrophobicContact CD2-CE1 4.33Å; L74-Y101 HydrophobicContact CG-CE1 4.46Å; V80-Y101 HydrophobicContact CB-CD2 4.24Å; V80-Y101 HydrophobicContact CB-CE2 4.38Å; V80-Y101 HydrophobicContact CG1-CD2 3.47Å; V80-Y101 VanDerWaalsContact CG1-CD2 3.47Å; V80-Y101 HydrophobicContact CG1-CE2 4.09Å; V80-Y101 HydrophobicContact CG1-CG 3.77Å; V80-Y101 HydrophobicContact CG2-CD2 3.68Å; V80-Y101 HydrophobicContact CG2-CE1 4.46Å; V80-Y101 HydrophobicContact CG2-CE2 3.36Å; V80-Y101 HydrophobicContact CG2-CG 4.34Å; I99-Y101 PolarHBondContact O-N 3.35Å; Y101-G103 CarbonylContact C-O 3.55Å; Y101-G103 VanDerWaalsContact C-O 3.25Å; Y101-G103 PolarHBondContact N-O 2.7Å; Y101-G103 CarbonylContact O-C 3.59Å; Y101-G103 PolarHBondContact O-N 3.38Å |
| 102 | D | 64 | Low | 69.3 | Low | 167 Ų | 167 | 57 Ų | 57 | 89% | 0.893 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 41.3 | 35.6 | -175.4 | -72.9 | -10 | 0 | 0 | 0 | 113.5 | ||
| 103 | G | 59.8 | Low | 67.1 | Low | 41 Ų | 41 | 59.5 Ų | 59.5 | 42% | 0.423 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 135.6 | 161.3 | -163.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y101 | Y101-G103 CarbonylContact C-O 3.55Å; Y101-G103 VanDerWaalsContact C-O 3.25Å; Y101-G103 PolarHBondContact N-O 2.7Å; Y101-G103 CarbonylContact O-C 3.59Å; Y101-G103 PolarHBondContact O-N 3.38Å |
| 104 | S | 57.6 | Low | 65.2 | Low | 71 Ų | 71 | 57 Ų | 57 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.9 | 178.5 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 105 | V | 60.6 | Low | 63.2 | Low | 12 Ų | 12 | 59.7 Ų | 59.7 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 118 | 172 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | L70 I99 F107 | L70-V105 HydrophobicContact CB-CG2 3.81Å; L70-V105 HydrophobicContact CD1-CG2 4.27Å; I99-V105 PolarHBondContact N-O 2.99Å; I99-V105 PolarHBondContact O-N 3.11Å; V105-F107 HydrophobicContact CB-CE2 3.79Å; V105-F107 HydrophobicContact CB-CZ 4.32Å; V105-F107 HydrophobicContact CG1-CD2 4.23Å; V105-F107 HydrophobicContact CG1-CE1 4.47Å; V105-F107 HydrophobicContact CG1-CE2 3.47Å; V105-F107 VanDerWaalsContact CG1-CE2 3.47Å; V105-F107 HydrophobicContact CG1-CZ 3.66Å; V105-F107 WeakPolarHBondContact O-CD2 3.3Å; V105-F107 WeakPolarHBondContact O-CE2 3.44Å |
| 106 | E | 65.9 | Low | 60.9 | Low | 100 Ų | 100 | 61 Ų | 61 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 138.8 | 177.2 | -66.2 | 175.5 | -177.4 | 0 | 0 | 110.3 | Q67 A98 | Q67-E106 HydrophobicContact CB-CB 4.15Å; Q67-E106 WeakPolarHBondContact CB-O 2.88Å; Q67-E106 HydrophobicContact CG-CB 4.48Å; Q67-E106 PolarHBondContact N-O 3.4Å; A98-E106 HydrophobicContact CB-CG 4.23Å |
| 107 | F | 63 | Low | 58.5 | Low | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.4 | 178.4 | -64.8 | -98.1 | 0 | 0 | 0 | 110 | P66 L71 L81 M96 F97 I99 V105 | P66-F107 HydrophobicContact CB-CD1 4.11Å; P66-F107 HydrophobicContact CB-CE1 4.03Å; L71-F107 HydrophobicContact CD1-CE1 3.51Å; L71-F107 HydrophobicContact CD1-CZ 3.34Å; L71-F107 HydrophobicContact CD2-CE1 4.34Å; L71-F107 HydrophobicContact CG-CE1 4.47Å; L81-F107 HydrophobicContact CD1-CE1 4.47Å; L81-F107 HydrophobicContact CD2-CD1 4.37Å; L81-F107 HydrophobicContact CD2-CE1 3.73Å; L81-F107 HydrophobicContact CD2-CE2 4.31Å; L81-F107 HydrophobicContact CD2-CZ 3.67Å; M96-F107 CarbonylContact C-O 3.48Å; M96-F107 WeakPolarHBondContact CA-O 3.01Å; F97-F107 HydrophobicContact CD1-CB 4.49Å; F97-F107 HydrophobicContact CE1-CB 4.07Å; F97-F107 HydrophobicContact CE2-CB 4.46Å; F97-F107 HydrophobicContact CZ-CB 4.07Å; F97-F107 PolarHBondContact N-O 3.23Å; F97-F107 PolarHBondContact O-N 2.98Å; I99-F107 HydrophobicContact CB-CD2 4.22Å; I99-F107 HydrophobicContact CB-CE2 3.8Å; I99-F107 HydrophobicContact CD1-CD2 3.61Å; I99-F107 HydrophobicContact CD1-CE2 3.34Å; I99-F107 HydrophobicContact CD1-CG 4.45Å; I99-F107 HydrophobicContact CD1-CZ 3.95Å; I99-F107 HydrophobicContact CG1-CD2 3.71Å; I99-F107 HydrophobicContact CG1-CE2 3.65Å; V105-F107 HydrophobicContact CB-CE2 3.79Å; V105-F107 HydrophobicContact CB-CZ 4.32Å; V105-F107 HydrophobicContact CG1-CD2 4.23Å; V105-F107 HydrophobicContact CG1-CE1 4.47Å; V105-F107 HydrophobicContact CG1-CE2 3.47Å; V105-F107 VanDerWaalsContact CG1-CE2 3.47Å; V105-F107 HydrophobicContact CG1-CZ 3.66Å; V105-F107 WeakPolarHBondContact O-CD2 3.3Å; V105-F107 WeakPolarHBondContact O-CE2 3.44Å |
| 108 | D | 64.3 | Low | 56.4 | Low | 39 Ų | 39 | 70 Ų | 70 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 147.8 | 161.9 | -71.7 | 20.4 | 0 | 0 | 0 | 109 | K65 Q67 M96 P110 | K65-D108 PolarHBondContact N-O 3.29Å; K65-D108 PolarHBondContact O-N 3.13Å; Q67-D108 VanDerWaalsContact CG-OD1 3.22Å; Q67-D108 WeakPolarHBondContact CG-OD1 3.43Å; Q67-D108 PolarHBondContact NE2-OD1 2.95Å; Q67-D108 PolarHBondContact NE2-OD2 3.23Å; M96-D108 VanDerWaalsContact CG-OD1 3.26Å; M96-D108 WeakPolarHBondContact CG-OD1 2.89Å; D108-P110 WeakPolarHBondContact O-CD 3.42Å |
| 109 | T | 57.3 | Low | 54.5 | Low | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.012 | 42% | 0.424 | C | S | . | . | trans | -95 | 84.1 | 167.9 | 57.8 | 0 | 0 | 0 | 0 | 111.5 | L64 T92 G94 D95 F97 F111 | L64-T109 HydrophobicContact CD2-CG2 3.72Å; T92-T109 PolarHBondContact O-OG1 3.37Å; G94-T109 PolarHBondContact N-O 3.03Å; G94-T109 PolarHBondContact N-OG1 2.97Å; D95-T109 PolarHBondContact N-OG1 3.45Å; D95-T109 PolarHBondContact O-N 2.85Å; D95-T109 PolarHBondContact O-OG1 3.4Å; F97-T109 HydrophobicContact CD1-CG2 3.94Å; F97-T109 HydrophobicContact CE1-CG2 3.51Å; T109-F111 PolarHBondContact O-N 2.63Å; T109-F111 VanDerWaalsContact O-N 3.14Å | ||
| 110 | P | 48.9 | Very low | 52.7 | Low | 56 Ų | 56 | 83 Ų | 83 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | trans | -75.8 | 107.8 | 168.7 | 32.8 | -35.8 | 0 | 0 | 0 | 109.8 | K63 K65 D108 | K63-P110 WeakPolarHBondContact CB-O 3.48Å; K63-P110 WeakPolarHBondContact O-CD 3.14Å; K63-P110 VanDerWaalsContact O-O 3.04Å; K65-P110 HydrophobicContact CB-CG 3.56Å; K65-P110 VanDerWaalsContact N-CD 3.3Å; D108-P110 WeakPolarHBondContact O-CD 3.42Å | ||
| 111 | F | 43.4 | Very low | 51.2 | Low | 84 Ų | 84 | 85.2 Ų | 85.2 | 37% | 0.368 | 48% | 0.475 | S | S | . | . | trans | 66 | 113.8 | 161.8 | -164.6 | -135.3 | 0 | 0 | 0 | 116.7 | K93 T109 E113 | K93-F111 HydrophobicContact CD-CD2 3.95Å; K93-F111 VanDerWaalsContact NZ-CD2 3.27Å; T109-F111 PolarHBondContact O-N 2.63Å; T109-F111 VanDerWaalsContact O-N 3.14Å; F111-E113 HydrophobicContact CD1-CG 3.85Å; F111-E113 HydrophobicContact CE1-CG 3.22Å; F111-E113 WeakPolarHBondContact CE1-OE1 3.35Å; F111-E113 HydrophobicContact CE2-CG 4.27Å; F111-E113 HydrophobicContact CZ-CG 3.45Å; F111-E113 VanDerWaalsContact CZ-CG 3.45Å | ||
| 112 | V | 52 | Low | 49.7 | Very low | 40 Ų | 40 | 90.5 Ų | 90.5 | 24% | 0.242 | 50% | 0.499 | C | S | . | . | trans | -99.6 | 119 | 165.2 | -179.5 | 0 | 0 | 0 | 0 | 107 | V62 | V62-V112 HydrophobicContact CG1-CG2 4.43Å; V62-V112 HydrophobicContact CG2-CG2 4.38Å | ||
| 113 | E | 43.3 | Very low | 48.4 | Very low | 65 Ų | 65 | 87.5 Ų | 87.5 | 30% | 0.304 | 49% | 0.489 | S | S | . | . | trans | -92.6 | 101 | 163.6 | -77.8 | 164.8 | 148.3 | 0 | 0 | 106.5 | K63 F111 E115 | K63-E113 IonicContact NZ-OE2 2.9Å; K63-E113 PolarHBondContact NZ-OE2 3.1Å; F111-E113 HydrophobicContact CD1-CG 3.85Å; F111-E113 HydrophobicContact CE1-CG 3.22Å; F111-E113 WeakPolarHBondContact CE1-OE1 3.35Å; F111-E113 HydrophobicContact CE2-CG 4.27Å; F111-E113 HydrophobicContact CZ-CG 3.45Å; F111-E113 VanDerWaalsContact CZ-CG 3.45Å; E113-E115 PolarHBondContact O-N 3.32Å | ||
| 114 | S | 47.9 | Very low | 47.3 | Very low | 76 Ų | 76 | 95.6 Ų | 95.6 | 53% | 0.531 | 51% | 0.513 | S | S | . | . | trans | -85.1 | 89.3 | 160.3 | 62.5 | 0 | 0 | 0 | 0 | 106.8 | G116 | S114-G116 VanDerWaalsContact C-N 3.34Å; S114-G116 PolarHBondContact O-N 3.35Å | ||
| 115 | E | 44.4 | Very low | 46 | Very low | 113 Ų | 113 | 96.7 Ų | 96.7 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | trans | -62.3 | 104.9 | 161.3 | -59.2 | -64.8 | 148.2 | 0 | 0 | 105.5 | E113 | E113-E115 PolarHBondContact O-N 3.32Š| ||
| 116 | G | 41.7 | Very low | 44.9 | Very low | 47 Ų | 47 | 102.9 Ų | 102.9 | 49% | 0.485 | 56% | 0.563 | S | S | . | * | trans | -54.4 | 166.7 | 159 | 0 | 0 | 0 | 0 | 0 | 108.8 | S114 L118 | S114-G116 VanDerWaalsContact C-N 3.34Å; S114-G116 PolarHBondContact O-N 3.35Å; G116-L118 PolarHBondContact O-N 2.98Å | ||
| 117 | P | 34.2 | Very low | 43.6 | Very low | 141 Ų | 141 | 106.3 Ų | 106.3 | 92% | 0.916 | 58% | 0.579 | S | S | * | * | trans | -62.1 | 89.7 | 179.5 | 25.8 | -31.9 | 0 | 0 | 0 | 109.7 | N119 | P117-N119 PolarHBondContact O-N 3.37Š| ||
| 118 | L | 38.3 | Very low | 42.1 | Very low | 134 Ų | 134 | 110.6 Ų | 110.6 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | trans | -90.3 | 102.2 | -179.3 | -157.5 | 80.7 | 0 | 0 | 0 | 106.5 | G116 N120 | G116-L118 PolarHBondContact O-N 2.98Å; L118-N120 PolarHBondContact O-N 2.98Å | ||
| 119 | N | 39 | Very low | 40.7 | Very low | 151 Ų | 151 | 116.6 Ų | 116.6 | 81% | 0.807 | 64% | 0.642 | S | S | * | * | trans | -50.7 | 134.6 | 163.5 | -76.9 | -29 | 0 | 0 | 0 | 109.4 | P117 E121 | P117-N119 PolarHBondContact O-N 3.37Å; N119-E121 PolarHBondContact O-N 3.17Å | ||
| 120 | N | 37.9 | Very low | 39.9 | Very low | 164 Ų | 164 | 126 Ų | 126 | 88% | 0.877 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -55.5 | 95.8 | -179.2 | -69.8 | -41.4 | 0 | 0 | 0 | 113 | L118 | L118-N120 PolarHBondContact O-N 2.98Š|
| 121 | E | 44.2 | Very low | 39.3 | Very low | 189 Ų | 189 | 132.6 Ų | 132.6 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | trans | -146.4 | 117.5 | 150.2 | -69.4 | -161.9 | 159.8 | 0 | 0 | 110.8 | N119 | N119-E121 PolarHBondContact O-N 3.17Š| ||
| 122 | K | 35.2 | Very low | 38.9 | Very low | 204 Ų | 204 | 133 Ų | 133 | 89% | 0.887 | 73% | 0.728 | S | S | * | * | trans | -88.4 | 169.9 | 176.3 | -136.4 | -173.3 | -173.8 | 174.9 | 0 | 109 | ||||
| 123 | P | 36.9 | Very low | 38.3 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | -114.4 | 175 | -96.7 | 38.7 | -23.9 | 0 | 0 | 0 | 111.9 | |||||
| 124 | K | 38.3 | Very low | 37.9 | Very low | 210 Ų | 210 | 143 Ų | 143 | 91% | 0.913 | 78% | 0.779 | S | S | * | * | trans | -165.6 | 133.5 | 151.4 | -108 | 158 | -170.5 | -176.9 | 0 | 112.6 | ||||
| 125 | A | 29.8 | Very low | 37.7 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -62.8 | 153.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 126 | V | 37.2 | Very low | 37.8 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 172.6 | 157 | 134.4 | 156.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 127 | Q | 39.5 | Very low | 38.1 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -82.9 | 165.1 | -146.6 | -64.3 | 159.1 | -17.9 | 0 | 0 | 115.7 | ||||
| 128 | S | 30.2 | Very low | 38.7 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | 6.3 | 133.6 | 154.7 | 55.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 129 | D | 36.1 | Very low | 39.2 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | -160.4 | 146.4 | 110.3 | -80 | -29.8 | 0 | 0 | 0 | 110.8 | |||||
| 130 | K | 40.3 | Very low | 39.8 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | -89.9 | 135 | -179.8 | -63 | 169.8 | 176.2 | 173.9 | 0 | 108.8 | ||||
| 131 | E | 36 | Very low | 40.1 | Very low | 194 Ų | 194 | 142 Ų | 142 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | trans | 164.6 | 147.9 | 133.4 | -97.2 | 173.2 | 162.3 | 0 | 0 | 112.5 | ||||
| 132 | A | 35 | Very low | 40.4 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | 68.6 | 132.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 133 | V | 39.4 | Very low | 41.3 | Very low | 110 Ų | 110 | 135 Ų | 135 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | -155.4 | 121.2 | 60.1 | 172.5 | 0 | 0 | 0 | 0 | 109.7 | A135 | V133-A135 HydrophobicContact CG1-CB 3.62Š| |||
| 134 | E | 35.1 | Very low | 42.1 | Very low | 203 Ų | 203 | 137.3 Ų | 137.3 | 95% | 0.949 | 75% | 0.754 | S | S | * | * | trans | -89.7 | 89.8 | 166 | -175.6 | 151 | -172.8 | 0 | 0 | 107.2 | ||||
| 135 | A | 43.8 | Very low | 43.3 | Very low | 70 Ų | 70 | 136 Ų | 136 | 58% | 0.579 | 75% | 0.749 | S | S | * | * | trans | -158.8 | -13.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | V133 | V133-A135 HydrophobicContact CG1-CB 3.62Š| ||
| 136 | D | 46.3 | Very low | 44.1 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 66% | 0.663 | 75% | 0.75 | S | S | * | * | trans | -97.6 | 3.4 | -161.1 | -65.5 | -19.4 | 0 | 0 | 0 | 116.7 | ||||
| 137 | K | 46.8 | Very low | 45.5 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -79.5 | -29.8 | -177.2 | -110 | -176.6 | 177.2 | -173.4 | 0 | 114.7 | ||
| 138 | A | 47 | Very low | 46.5 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -76.8 | -24.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 139 | A | 49.4 | Very low | 48.5 | Very low | 60 Ų | 60 | 135.3 Ų | 135.3 | 50% | 0.496 | 74% | 0.739 | S | S | . | * | H | α-helix | trans | -73.2 | -33.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S142 | A139-S142 PolarHBondContact O-N 2.76Å; A139-S142 PolarHBondContact O-OG 2.9Å |
| 140 | L | 50.7 | Low | 49.7 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 62% | 0.623 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -74.5 | -29.8 | -176 | -147.6 | 83.4 | 0 | 0 | 0 | 113 | Q143 | L140-Q143 PolarHBondContact O-N 3.33Å |
| 141 | E | 44.8 | Very low | 51.1 | Low | 160 Ų | 160 | 132.4 Ų | 132.4 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -74.3 | -26.5 | 177.5 | -77.1 | -179.5 | 161 | 0 | 0 | 112.8 | Q143 | E141-Q143 VanDerWaalsContact C-N 3.27Å; E141-Q143 PolarHBondContact O-N 3.47Å |
| 142 | S | 50.5 | Low | 52.6 | Low | 91 Ų | 91 | 130 Ų | 130 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -71.8 | -19.7 | 175.5 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | A139 | A139-S142 PolarHBondContact O-N 2.76Å; A139-S142 PolarHBondContact O-OG 2.9Å |
| 143 | Q | 55 | Low | 54.3 | Low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -5.2 | -177 | -81.9 | -170.1 | -43.6 | 0 | 0 | 115 | L140 E141 | L140-Q143 PolarHBondContact O-N 3.33Å; E141-Q143 VanDerWaalsContact C-N 3.27Å; E141-Q143 PolarHBondContact O-N 3.47Å |
| 144 | L | 52.6 | Low | 56 | Low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 7 | -177.9 | -66.9 | 176.3 | 0 | 0 | 0 | 114.4 | ||
| 145 | K | 64.3 | Low | 57.7 | Low | 184 Ų | 184 | 125.4 Ų | 125.4 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -80.8 | 121.4 | 173.2 | -157.1 | 166.7 | -172.2 | 175.3 | 0 | 109.9 | P147 | K145-P147 WeakPolarHBondContact O-CD 3.42Š|
| 146 | F | 45.5 | Very low | 59.1 | Low | 181 Ų | 181 | 129.2 Ų | 129.2 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | trans | -54.9 | 119.4 | 179.2 | -160.5 | -98 | 0 | 0 | 0 | 109.8 | G148 | F146-G148 PolarHBondContact O-N 3.5Š| ||
| 147 | P | 66.3 | Low | 59.7 | Low | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -77.5 | -1.2 | -175.8 | 31.3 | -35.5 | 0 | 0 | 0 | 112.9 | K145 V149 | K145-P147 WeakPolarHBondContact O-CD 3.42Å; P147-V149 PolarHBondContact O-N 3.5Å | ||
| 148 | G | 61.3 | Low | 60.2 | Low | 43 Ų | 43 | 127.2 Ų | 127.2 | 44% | 0.443 | 70% | 0.699 | S | S | . | * | trans | -79.6 | 116.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F146 G150 | F146-G148 PolarHBondContact O-N 3.5Å; G148-G150 PolarHBondContact O-N 2.88Å | ||
| 149 | V | 72 | Confident | 60.5 | Low | 137 Ų | 137 | 127 Ų | 127 | 83% | 0.83 | 70% | 0.697 | S | S | * | * | trans | -71.7 | 115.7 | 164.3 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | P147 R151 | P147-V149 PolarHBondContact O-N 3.5Å; V149-R151 PolarHBondContact O-N 2.81Å | ||
| 150 | G | 61 | Low | 60.4 | Low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 121.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G148 | G148-G150 PolarHBondContact O-N 2.88Š|
| 151 | R | 70.1 | Confident | 60.3 | Low | 239 Ų | 239 | 136 Ų | 136 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 132.5 | 169.8 | -71.8 | -171.3 | 178.4 | -165.1 | -0.4 | 109.3 | V149 | V149-R151 PolarHBondContact O-N 2.81Š|
| 152 | R | 67.5 | Low | 59.9 | Low | 143 Ų | 143 | 136.3 Ų | 136.3 | 54% | 0.54 | 73% | 0.732 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 137.7 | 173.1 | -54.9 | 172.3 | 58.9 | 99.2 | -0.1 | 109.6 | D154 G155 V158 | R152-D154 WeakPolarHBondContact CB-OD1 3.15Å; R152-D154 IonicContact CZ-OD1 3.91Å; R152-D154 IonicContact CZ-OD2 3.4Å; R152-D154 IonicContact NE-OD1 2.98Å; R152-D154 PolarHBondContact NE-OD1 2.99Å; R152-D154 IonicContact NE-OD2 3.17Å; R152-D154 PolarHBondContact NE-OD2 2.85Å; R152-D154 VanDerWaalsContact NE-OD2 3.17Å; R152-D154 IonicContact NH2-OD1 3.95Å; R152-D154 IonicContact NH2-OD2 2.76Å; R152-D154 PolarHBondContact NH2-OD2 2.88Å; R152-D154 PolarHBondContact O-N 2.9Å; R152-G155 PolarHBondContact O-N 2.88Å; R152-V158 HydrophobicContact CG-CG2 3.8Å |
| 153 | V | 70.2 | Confident | 59.4 | Low | 159 Ų | 159 | 135 Ų | 135 | 96% | 0.964 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -13.9 | -179.8 | -144.2 | 0 | 0 | 0 | 0 | 112.3 | G155 | V153-G155 VanDerWaalsContact C-N 3.33Š|
| 154 | D | 76.4 | Confident | 58.6 | Low | 78 Ų | 78 | 135.4 Ų | 135.4 | 42% | 0.417 | 74% | 0.74 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | 5.8 | 178.4 | 65 | -8.5 | 0 | 0 | 0 | 113.8 | R152 K156 | R152-D154 WeakPolarHBondContact CB-OD1 3.15Å; R152-D154 IonicContact CZ-OD1 3.91Å; R152-D154 IonicContact CZ-OD2 3.4Å; R152-D154 IonicContact NE-OD1 2.98Å; R152-D154 PolarHBondContact NE-OD1 2.99Å; R152-D154 IonicContact NE-OD2 3.17Å; R152-D154 PolarHBondContact NE-OD2 2.85Å; R152-D154 VanDerWaalsContact NE-OD2 3.17Å; R152-D154 IonicContact NH2-OD1 3.95Å; R152-D154 IonicContact NH2-OD2 2.76Å; R152-D154 PolarHBondContact NH2-OD2 2.88Å; R152-D154 PolarHBondContact O-N 2.9Å; D154-K156 PolarHBondContact O-N 3.04Å |
| 155 | G | 69.4 | Low | 58 | Low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | 67.5 | 5.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | R152 V153 | R152-G155 PolarHBondContact O-N 2.88Å; V153-G155 VanDerWaalsContact C-N 3.33Å | ||
| 156 | K | 74.9 | Confident | 57.1 | Low | 151 Ų | 151 | 129.9 Ų | 129.9 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | trans | -84.6 | 133.7 | 175.7 | -73 | -179.7 | 178.8 | 176.1 | 0 | 110.1 | D154 V158 | D154-K156 PolarHBondContact O-N 3.04Å; K156-V158 PolarHBondContact O-N 3.36Å | ||
| 157 | H | 58.6 | Low | 56.6 | Low | 192 Ų | 192 | 124.9 Ų | 124.9 | 89% | 0.889 | 74% | 0.74 | S | S | * | * | trans | -57.4 | 129.4 | 175.2 | -125.4 | -95.5 | 0 | 0 | 0 | 109.7 | A159 | H157-A159 PolarHBondContact O-N 3.26Š| ||
| 158 | V | 55.6 | Low | 54.9 | Low | 81 Ų | 81 | 125.5 Ų | 125.5 | 49% | 0.491 | 75% | 0.746 | S | S | . | * | trans | -65.8 | 115.5 | 170.5 | 178.5 | 0 | 0 | 0 | 0 | 106.5 | R152 K156 E160 | R152-V158 HydrophobicContact CG-CG2 3.8Å; K156-V158 PolarHBondContact O-N 3.36Å; V158-E160 PolarHBondContact O-N 3.03Å | ||
| 159 | A | 55.2 | Low | 53.9 | Low | 76 Ų | 76 | 128.6 Ų | 128.6 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | trans | -69.5 | 119.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | H157 Q161 | H157-A159 PolarHBondContact O-N 3.26Å; A159-Q161 PolarHBondContact O-N 2.86Å | ||
| 160 | E | 46.2 | Very low | 52 | Low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | trans | -60.3 | 104.3 | 170.5 | -71.6 | 177.5 | 157.7 | 0 | 0 | 108.5 | V158 | V158-E160 PolarHBondContact O-N 3.03Š| ||
| 161 | Q | 48.8 | Very low | 50.8 | Low | 180 Ų | 180 | 129.4 Ų | 129.4 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -108.1 | 98.7 | 164.6 | -70.4 | -170 | 3.4 | 0 | 0 | 107.7 | A159 G163 | A159-Q161 PolarHBondContact O-N 2.86Å; Q161-G163 PolarHBondContact O-N 3.35Å | ||
| 162 | N | 35.5 | Very low | 49.1 | Very low | 167 Ų | 167 | 124.8 Ų | 124.8 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -67.2 | 107.7 | 155.2 | -71 | -31.6 | 0 | 0 | 0 | 106.7 | ||||
| 163 | G | 41.8 | Very low | 47.7 | Very low | 65 Ų | 65 | 122.3 Ų | 122.3 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | trans | -175.9 | 120 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q161 | Q161-G163 PolarHBondContact O-N 3.35Š| ||
| 164 | D | 38.3 | Very low | 46 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 136.7 | 174 | -60.1 | -67.3 | 0 | 0 | 0 | 111.4 | ||
| 165 | A | 40.2 | Very low | 44 | Very low | 95 Ų | 95 | 132.1 Ų | 132.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 131.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 166 | P | 44.2 | Very low | 42.3 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 133.9 | 176 | 29.8 | -30 | 0 | 0 | 0 | 110.1 | ||
| 167 | G | 36.2 | Very low | 40.8 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 136.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S169 | G167-S169 PolarHBondContact O-N 3.34Š|
| 168 | C | 29.3 | Very low | 39.5 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -78.3 | 110.9 | 174.4 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 169 | S | 40.8 | Very low | 38.9 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -92.8 | 129.9 | 171.4 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | G167 | G167-S169 PolarHBondContact O-N 3.34Š| ||
| 170 | A | 32.1 | Very low | 37.8 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -60.2 | 141.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 171 | S | 36.7 | Very low | 37.5 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -137.7 | 113.4 | 161.5 | 76.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 172 | T | 33 | Very low | 36.8 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -103.1 | 122.8 | 173.9 | -41.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 173 | S | 37.7 | Very low | 36.6 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | trans | -164.4 | 143 | 155.1 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 174 | R | 35 | Very low | 36.3 | Very low | 201 Ų | 201 | 132.4 Ų | 132.4 | 76% | 0.758 | 81% | 0.814 | S | S | * | * | trans | 82.4 | 127.1 | 167.1 | -55.1 | 174.9 | -167 | 151.5 | 5.9 | 114.7 | ||||
| 175 | W | 35.7 | Very low | 36 | Very low | 241 Ų | 241 | 134.3 Ų | 134.3 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | cis | -152.4 | 146.9 | 41.6 | -71.4 | -81.6 | 0 | 0 | 0 | 112.8 | ||||
| 176 | A | 32.3 | Very low | 35.7 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -103 | 150.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 177 | N | 42.9 | Very low | 35 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -152.7 | 125.7 | 153.4 | -92 | -25.4 | 0 | 0 | 0 | 110.6 | ||||
| 178 | T | 32.6 | Very low | 34.7 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -107.5 | 142.8 | 175.2 | -67.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 179 | V | 42.7 | Very low | 34.8 | Very low | 134 Ų | 134 | 149.4 Ų | 149.4 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | trans | -133.3 | 131.9 | 165.5 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | V181 | V179-V181 HydrophobicContact CG1-CG2 4.45Š| ||
| 180 | Q | 32.3 | Very low | 34.5 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | trans | -102.6 | 139.6 | 171.5 | -66.8 | -155.3 | -20.3 | 0 | 0 | 110.6 | ||||
| 181 | V | 39.5 | Very low | 34.8 | Very low | 141 Ų | 141 | 156 Ų | 156 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -138.2 | 125.8 | 163 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | V179 | V179-V181 HydrophobicContact CG1-CG2 4.45Š| ||
| 182 | G | 33.9 | Very low | 34.9 | Very low | 69 Ų | 69 | 154.6 Ų | 154.6 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -90.4 | 170.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 183 | E | 32.1 | Very low | 35.5 | Very low | 200 Ų | 200 | 156.5 Ų | 156.5 | 94% | 0.935 | 83% | 0.829 | S | S | * | * | S | Bend | trans | 46.2 | 107.9 | 163.3 | -62.3 | -169.8 | 154 | 0 | 0 | 120.1 | ||
| 184 | G | 34.9 | Very low | 35.5 | Very low | 72 Ų | 72 | 160.3 Ų | 160.3 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | S | Bend | trans | 90.1 | 107.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 185 | Q | 33.1 | Very low | 35.6 | Very low | 204 Ų | 204 | 159.3 Ų | 159.3 | 95% | 0.953 | 84% | 0.84 | S | S | * | * | trans | 85.9 | 130.5 | 164.2 | -57.2 | -176.7 | -29.7 | 0 | 0 | 118.2 | ||||
| 186 | Q | 32.8 | Very low | 35.8 | Very low | 203 Ų | 203 | 151.5 Ų | 151.5 | 95% | 0.949 | 82% | 0.82 | S | S | * | * | trans | -79.6 | 137.6 | -162.5 | -70 | 169.7 | -24.7 | 0 | 0 | 113.4 | ||||
| 187 | A | 29.8 | Very low | 35.9 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | trans | -136 | 133.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 188 | K | 28.9 | Very low | 35.6 | Very low | 210 Ų | 210 | 152.7 Ų | 152.7 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | -73.6 | 123.2 | 178.4 | -63.4 | 174.8 | 179.1 | 176.7 | 0 | 109.8 | ||||
| 189 | R | 32.9 | Very low | 35.7 | Very low | 239 Ų | 239 | 156.4 Ų | 156.4 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -142.9 | 125.1 | 152.9 | -80 | -164.4 | 174.8 | -174.6 | -2.2 | 110.4 | ||||
| 190 | Y | 32.8 | Very low | 35.7 | Very low | 220 Ų | 220 | 156 Ų | 156 | 86% | 0.863 | 81% | 0.811 | S | S | * | * | trans | -58.9 | 126.9 | 163.3 | -84.5 | -94.8 | 0 | 0 | 0 | 107.9 | C192 | Y190-C192 PolarHBondContact O-N 3.02Å; Y190-C192 VanDerWaalsContact O-N 3.14Å | ||
| 191 | P | 39.3 | Very low | 36.2 | Very low | 127 Ų | 127 | 152.3 Ų | 152.3 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -85.2 | 36.8 | 176.3 | 34.4 | -32.5 | 0 | 0 | 0 | 111.7 | ||
| 192 | C | 38.5 | Very low | 36.4 | Very low | 88 Ų | 88 | 153 Ų | 153 | 60% | 0.595 | 80% | 0.802 | S | S | * | * | trans | -147.6 | 110.2 | 177.7 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | Y190 | Y190-C192 PolarHBondContact O-N 3.02Å; Y190-C192 VanDerWaalsContact O-N 3.14Å | ||
| 193 | D | 45.4 | Very low | 36.3 | Very low | 182 Ų | 182 | 159 Ų | 159 | 97% | 0.973 | 80% | 0.803 | S | S | * | * | trans | -85.6 | 19.7 | 160.5 | -71 | -44.8 | 0 | 0 | 0 | 111.4 | ||||
| 194 | E | 39.2 | Very low | 36.6 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -123.3 | 135.8 | -174 | -83.6 | 173.3 | 151.1 | 0 | 0 | 112.9 | ||
| 195 | H | 35.8 | Very low | 36.7 | Very low | 181 Ų | 181 | 160.2 Ų | 160.2 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -54.3 | 150.8 | 175.1 | -66.8 | -59.7 | 0 | 0 | 0 | 111.4 | G197 | H195-G197 PolarHBondContact O-N 3.2Š| ||
| 196 | P | 40.2 | Very low | 36.9 | Very low | 76 Ų | 76 | 156.5 Ų | 156.5 | 49% | 0.494 | 78% | 0.775 | S | S | . | * | trans | -52.6 | 105.2 | 179.4 | 22 | -32.6 | 0 | 0 | 0 | 110.2 | Y198 | P196-Y198 PolarHBondContact O-N 2.88Å; P196-Y198 VanDerWaalsContact O-N 3.1Å | ||
| 197 | G | 34.6 | Very low | 37.4 | Very low | 72 Ų | 72 | 155 Ų | 155 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | -59.7 | 113.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | H195 Y199 | H195-G197 PolarHBondContact O-N 3.2Å; G197-Y199 PolarHBondContact O-N 2.81Å | ||
| 198 | Y | 36.9 | Very low | 38.3 | Very low | 209 Ų | 209 | 157.5 Ų | 157.5 | 82% | 0.82 | 77% | 0.768 | S | S | * | * | trans | -63.6 | 131 | 169 | -75.2 | -92.2 | 0 | 0 | 0 | 108.2 | P196 I200 | P196-Y198 PolarHBondContact O-N 2.88Å; P196-Y198 VanDerWaalsContact O-N 3.1Å; Y198-I200 PolarHBondContact O-N 2.88Å; Y198-I200 VanDerWaalsContact O-N 3.09Å | ||
| 199 | Y | 34.5 | Very low | 38.9 | Very low | 204 Ų | 204 | 153.5 Ų | 153.5 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | trans | -57.2 | 112.4 | 164.3 | -117.2 | -96.5 | 0 | 0 | 0 | 107.5 | G197 P201 | G197-Y199 PolarHBondContact O-N 2.81Å; Y199-P201 VanDerWaalsContact O-CD 3.24Å; Y199-P201 WeakPolarHBondContact O-CD 3.19Å | ||
| 200 | I | 42.7 | Very low | 39.1 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 65% | 0.646 | 74% | 0.743 | S | S | * | * | trans | -96.7 | 95.7 | 164.7 | -58.7 | 173.8 | 0 | 0 | 0 | 104.4 | Y198 | Y198-I200 PolarHBondContact O-N 2.88Å; Y198-I200 VanDerWaalsContact O-N 3.09Å | ||
| 201 | P | 42.4 | Very low | 39.4 | Very low | 103 Ų | 103 | 142 Ų | 142 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | trans | -63 | 140 | 172.5 | 27.2 | -32.2 | 0 | 0 | 0 | 108.9 | Y199 | Y199-P201 VanDerWaalsContact O-CD 3.24Å; Y199-P201 WeakPolarHBondContact O-CD 3.19Å | ||
| 202 | D | 42.7 | Very low | 39.8 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | -43.7 | 134.2 | -165.5 | -66 | -53.7 | 0 | 0 | 0 | 114.4 | N204 | D202-N204 VanDerWaalsContact C-N 3.35Å; D202-N204 PolarHBondContact O-N 3.48Å | ||
| 203 | W | 32 | Very low | 40.3 | Very low | 194 Ų | 194 | 150 Ų | 150 | 74% | 0.735 | 74% | 0.737 | S | S | * | * | trans | -54.6 | 93 | 169 | -74.6 | 12.1 | 0 | 0 | 0 | 110.6 | Y205 | W203-Y205 HydrophobicContact CB-CD2 3.97Å; W203-Y205 HydrophobicContact CB-CE2 4.2Å; W203-Y205 HydrophobicContact CD2-CD2 4.04Å; W203-Y205 AromaticContact CD2-CE2 3.43Å; W203-Y205 HydrophobicContact CD2-CE2 3.43Å; W203-Y205 VanDerWaalsContact CD2-CE2 3.43Å; W203-Y205 AromaticContact CE2-CE2 3.75Å; W203-Y205 HydrophobicContact CE3-CD2 4.07Å; W203-Y205 AromaticContact CE3-CE2 3.58Å; W203-Y205 HydrophobicContact CE3-CE2 3.58Å; W203-Y205 HydrophobicContact CG-CD2 4.02Å; W203-Y205 AromaticContact CG-CE2 3.73Å; W203-Y205 HydrophobicContact CG-CE2 3.73Å; W203-Y205 HydrophobicContact CH2-CE2 4.29Å; W203-Y205 HydrophobicContact CZ2-CE2 4.18Å; W203-Y205 HydrophobicContact CZ3-CE2 4.01Å | ||
| 204 | N | 38.4 | Very low | 41 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -106.8 | 87.8 | 148.7 | -151 | 23.3 | 0 | 0 | 0 | 106.8 | D202 D206 | D202-N204 VanDerWaalsContact C-N 3.35Å; D202-N204 PolarHBondContact O-N 3.48Å; N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact O-N 3.41Å | ||
| 205 | Y | 37.5 | Very low | 41.9 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | trans | -67.5 | 88.9 | 174.2 | -92.5 | -99 | 0 | 0 | 0 | 109 | W203 | W203-Y205 HydrophobicContact CB-CD2 3.97Å; W203-Y205 HydrophobicContact CB-CE2 4.2Å; W203-Y205 HydrophobicContact CD2-CD2 4.04Å; W203-Y205 AromaticContact CD2-CE2 3.43Å; W203-Y205 HydrophobicContact CD2-CE2 3.43Å; W203-Y205 VanDerWaalsContact CD2-CE2 3.43Å; W203-Y205 AromaticContact CE2-CE2 3.75Å; W203-Y205 HydrophobicContact CE3-CD2 4.07Å; W203-Y205 AromaticContact CE3-CE2 3.58Å; W203-Y205 HydrophobicContact CE3-CE2 3.58Å; W203-Y205 HydrophobicContact CG-CD2 4.02Å; W203-Y205 AromaticContact CG-CE2 3.73Å; W203-Y205 HydrophobicContact CG-CE2 3.73Å; W203-Y205 HydrophobicContact CH2-CE2 4.29Å; W203-Y205 HydrophobicContact CZ2-CE2 4.18Å; W203-Y205 HydrophobicContact CZ3-CE2 4.01Å | ||
| 206 | D | 37.6 | Very low | 43.2 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 67% | 0.674 | 70% | 0.701 | S | S | * | * | trans | -93.1 | 110.7 | 143.2 | -79.3 | -23.8 | 0 | 0 | 0 | 105.8 | N204 N208 | N204-D206 VanDerWaalsContact C-N 3.32Å; N204-D206 PolarHBondContact O-N 3.41Å; D206-N208 PolarHBondContact O-N 2.86Å | ||
| 207 | E | 43.5 | Very low | 44.2 | Very low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 14.2 | -166.7 | -63.3 | -177.9 | 154 | 0 | 0 | 116.2 | ||
| 208 | N | 47.7 | Very low | 45.7 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.1 | 7.8 | -170.3 | -73.2 | -49.2 | 0 | 0 | 0 | 116.4 | D206 | D206-N208 PolarHBondContact O-N 2.86Š|
| 209 | I | 41.6 | Very low | 47 | Very low | 125 Ų | 125 | 138 Ų | 138 | 64% | 0.641 | 67% | 0.674 | S | S | * | * | trans | -142.2 | 106.2 | -177.5 | -54 | 179.4 | 0 | 0 | 0 | 112 | T211 | I209-T211 HydrophobicContact CG2-CG2 3.74Š| ||
| 210 | L | 37.6 | Very low | 48.3 | Very low | 126 Ų | 126 | 137 Ų | 137 | 66% | 0.66 | 68% | 0.677 | S | S | * | * | trans | -106.1 | 98.5 | 162.8 | -82.2 | 164.7 | 0 | 0 | 0 | 108.3 | ||||
| 211 | T | 40.2 | Very low | 49.6 | Very low | 91 Ų | 91 | 134 Ų | 134 | 56% | 0.558 | 68% | 0.678 | S | S | * | * | trans | -106 | 113.8 | 173.7 | 46.8 | 0 | 0 | 0 | 0 | 111 | I209 Y213 | I209-T211 HydrophobicContact CG2-CG2 3.74Å; T211-Y213 PolarHBondContact O-N 3.38Å; T211-Y213 VanDerWaalsContact O-N 3.1Å | ||
| 212 | F | 47.5 | Very low | 51 | Low | 188 Ų | 188 | 133.6 Ų | 133.6 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -81.9 | 50.9 | 175.7 | -72 | -84.7 | 0 | 0 | 0 | 112.8 | ||||
| 213 | Y | 49.2 | Very low | 52.2 | Low | 196 Ų | 196 | 128.2 Ų | 128.2 | 77% | 0.769 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 124.2 | 169.4 | -74.4 | -72.3 | 0 | 0 | 0 | 109.8 | T211 | T211-Y213 PolarHBondContact O-N 3.38Å; T211-Y213 VanDerWaalsContact O-N 3.1Å |
| 214 | P | 59.5 | Low | 54.1 | Low | 82 Ų | 82 | 120.8 Ų | 120.8 | 53% | 0.532 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 136.9 | 169.2 | 23.8 | -30.9 | 0 | 0 | 0 | 108.6 | F218 | P214-F218 HydrophobicContact CB-CB 4.01Å; P214-F218 HydrophobicContact CB-CD1 3.59Å; P214-F218 HydrophobicContact CB-CE1 4.33Å; P214-F218 HydrophobicContact CB-CG 3.97Å; P214-F218 HydrophobicContact CG-CD1 4.48Å |
| 215 | P | 58.8 | Low | 55.2 | Low | 59 Ų | 59 | 119.3 Ų | 119.3 | 38% | 0.383 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 151 | 177.6 | -25.3 | 33 | 0 | 0 | 0 | 111.6 | W217 F218 | P215-W217 HydrophobicContact CB-CD2 3.79Å; P215-W217 HydrophobicContact CB-CG 4.07Å; P215-W217 HydrophobicContact CB-CH2 4.4Å; P215-W217 HydrophobicContact CB-CZ2 3.67Å; P215-W217 VanDerWaalsContact CB-NE1 3.27Å; P215-W217 HydrophobicContact CG-CD2 4.48Å; P215-W217 HydrophobicContact CG-CH2 4.05Å; P215-W217 HydrophobicContact CG-CZ2 3.53Å; P215-W217 PolarHBondContact O-N 2.81Å; P215-F218 VanDerWaalsContact O-CB 3.28Å; P215-F218 WeakPolarHBondContact O-CB 3.46Å; P215-F218 PolarHBondContact O-N 3.25Å |
| 216 | S | 61.4 | Low | 56.4 | Low | 134 Ų | 134 | 119.1 Ų | 119.1 | 94% | 0.937 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -18.6 | -178.4 | 59.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 217 | W | 62.6 | Low | 57.3 | Low | 171 Ų | 171 | 115 Ų | 115 | 65% | 0.648 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -10.7 | 174.7 | 53.9 | -103.8 | 0 | 0 | 0 | 113.9 | P215 K219 M223 | P215-W217 HydrophobicContact CB-CD2 3.79Å; P215-W217 HydrophobicContact CB-CG 4.07Å; P215-W217 HydrophobicContact CB-CH2 4.4Å; P215-W217 HydrophobicContact CB-CZ2 3.67Å; P215-W217 VanDerWaalsContact CB-NE1 3.27Å; P215-W217 HydrophobicContact CG-CD2 4.48Å; P215-W217 HydrophobicContact CG-CH2 4.05Å; P215-W217 HydrophobicContact CG-CZ2 3.53Å; P215-W217 PolarHBondContact O-N 2.81Å; W217-K219 PolarHBondContact O-N 3.26Å; W217-M223 HydrophobicContact CE3-CE 4.09Å; W217-M223 HydrophobicContact CZ3-CE 3.64Å |
| 218 | F | 65.1 | Low | 58.3 | Low | 76 Ų | 76 | 113.5 Ų | 113.5 | 33% | 0.333 | 59% | 0.592 | S | S | . | * | trans | -76.4 | 122.1 | 176.8 | -177.9 | -92.1 | 0 | 0 | 0 | 109.7 | P214 P215 M223 | P214-F218 HydrophobicContact CB-CB 4.01Å; P214-F218 HydrophobicContact CB-CD1 3.59Å; P214-F218 HydrophobicContact CB-CE1 4.33Å; P214-F218 HydrophobicContact CB-CG 3.97Å; P214-F218 HydrophobicContact CG-CD1 4.48Å; P215-F218 VanDerWaalsContact O-CB 3.28Å; P215-F218 WeakPolarHBondContact O-CB 3.46Å; P215-F218 PolarHBondContact O-N 3.25Å; F218-M223 HydrophobicContact CD2-CG 4.42Å; F218-M223 HydrophobicContact CE2-CB 4.2Å; F218-M223 HydrophobicContact CE2-CG 4.4Å | ||
| 219 | K | 64.3 | Low | 59.3 | Low | 119 Ų | 119 | 110.5 Ų | 110.5 | 52% | 0.517 | 58% | 0.581 | S | S | . | * | trans | -115.1 | 121.5 | 172.7 | -65.3 | -166.5 | -162 | 161.1 | 0 | 110.1 | W217 G221 E222 | W217-K219 PolarHBondContact O-N 3.26Å; K219-G221 PolarHBondContact O-N 3.21Å; K219-E222 HydrophobicContact CB-CB 4.1Å; K219-E222 HydrophobicContact CB-CG 4.02Å; K219-E222 WeakPolarHBondContact CD-OE2 3.31Å; K219-E222 IonicContact NZ-OE1 3.65Å; K219-E222 IonicContact NZ-OE2 3.87Å; K219-E222 PolarHBondContact O-N 3.08Å | ||
| 220 | E | 61.9 | Low | 60.4 | Low | 182 Ų | 182 | 109.4 Ų | 109.4 | 85% | 0.85 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | 125.2 | 176 | -158.3 | 118.1 | -132 | 0 | 0 | 109.9 | ||
| 221 | G | 69.9 | Low | 61.8 | Low | 64 Ų | 64 | 111.3 Ų | 111.3 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.5 | 0.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K219 L230 | K219-G221 PolarHBondContact O-N 3.21Å; G221-L230 WeakPolarHBondContact O-CD1 3.34Å |
| 222 | E | 72.7 | Confident | 62.4 | Low | 94 Ų | 94 | 114.6 Ų | 114.6 | 44% | 0.439 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | -11.1 | 170.9 | -69.1 | -169.6 | 179.3 | 0 | 0 | 113.6 | K219 P229 L230 | K219-E222 HydrophobicContact CB-CB 4.1Å; K219-E222 HydrophobicContact CB-CG 4.02Å; K219-E222 WeakPolarHBondContact CD-OE2 3.31Å; K219-E222 IonicContact NZ-OE1 3.65Å; K219-E222 IonicContact NZ-OE2 3.87Å; K219-E222 PolarHBondContact O-N 3.08Å; E222-P229 CarbonylContact O-C 3.51Å; E222-P229 WeakPolarHBondContact O-CA 3.18Å; E222-L230 PolarHBondContact O-N 3.04Å |
| 223 | M | 66.6 | Low | 62.3 | Low | 44 Ų | 44 | 115 Ų | 115 | 22% | 0.217 | 59% | 0.593 | C | S | . | * | B | Isolated β-bridge | trans | -124.3 | 143.8 | -176.5 | -62.3 | -75.9 | -132.2 | 0 | 0 | 111.9 | W217 F218 G227 R228 P229 L230 | W217-M223 HydrophobicContact CE3-CE 4.09Å; W217-M223 HydrophobicContact CZ3-CE 3.64Å; F218-M223 HydrophobicContact CD2-CG 4.42Å; F218-M223 HydrophobicContact CE2-CB 4.2Å; F218-M223 HydrophobicContact CE2-CG 4.4Å; M223-G227 VanDerWaalsContact CE-O 3.27Å; M223-G227 WeakPolarHBondContact CE-O 3.09Å; M223-R228 CarbonylContact C-O 3.47Å; M223-R228 VanDerWaalsContact CA-O 3.23Å; M223-R228 WeakPolarHBondContact CA-O 3.41Å; M223-P229 HydrophobicContact SD-CG 4.21Å; M223-L230 VanDerWaalsContact C-CG 3.5Å; M223-L230 WeakPolarHBondContact O-CD1 3.49Å |
| 224 | D | 72.2 | Confident | 61.9 | Low | 38 Ų | 38 | 114.9 Ų | 114.9 | 20% | 0.203 | 60% | 0.597 | C | S | . | * | trans | -72.3 | 170.1 | 167.9 | 75.6 | 1.7 | 0 | 0 | 0 | 110.7 | R226 G227 R228 L230 | D224-R226 PolarHBondContact O-N 2.96Å; D224-R226 WeakPolarHBondContact OD1-CA 3.39Å; D224-R226 WeakPolarHBondContact OD1-CB 3.35Å; D224-R226 PolarHBondContact OD1-N 3.39Å; D224-G227 PolarHBondContact O-N 3.32Å; D224-G227 PolarHBondContact OD1-N 3.05Å; D224-R228 PolarHBondContact N-O 2.78Å; D224-R228 WeakPolarHBondContact OD1-CB 3.46Å; D224-R228 PolarHBondContact OD1-N 3.22Å; D224-R228 IonicContact OD1-NE 3.78Å; D224-R228 IonicContact OD2-CZ 3.19Å; D224-R228 IonicContact OD2-NE 2.82Å; D224-R228 PolarHBondContact OD2-NE 2.9Å; D224-R228 IonicContact OD2-NH2 2.72Å; D224-R228 PolarHBondContact OD2-NH2 3.28Å; D224-L230 HydrophobicContact CB-CD2 3.83Å | ||
| 225 | A | 61.8 | Low | 60.9 | Low | 116 Ų | 116 | 119.1 Ų | 119.1 | 96% | 0.959 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -1.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 226 | R | 61.6 | Low | 60.2 | Low | 147 Ų | 147 | 121.8 Ų | 121.8 | 56% | 0.555 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.2 | 10 | 175.5 | -58.1 | -175.9 | -179 | -172.2 | -0.1 | 112.5 | D224 | D224-R226 PolarHBondContact O-N 2.96Å; D224-R226 WeakPolarHBondContact OD1-CA 3.39Å; D224-R226 WeakPolarHBondContact OD1-CB 3.35Å; D224-R226 PolarHBondContact OD1-N 3.39Å |
| 227 | G | 58 | Low | 58.9 | Low | 39 Ų | 39 | 120.6 Ų | 120.6 | 40% | 0.402 | 62% | 0.621 | S | S | . | * | S | Bend | trans | 74.6 | 20.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | M223 D224 | M223-G227 VanDerWaalsContact CE-O 3.27Å; M223-G227 WeakPolarHBondContact CE-O 3.09Å; D224-G227 PolarHBondContact O-N 3.32Å; D224-G227 PolarHBondContact OD1-N 3.05Å |
| 228 | R | 64.2 | Low | 57.9 | Low | 139 Ų | 139 | 120.5 Ų | 120.5 | 53% | 0.525 | 63% | 0.627 | S | S | . | * | trans | -97.1 | 141.5 | 176.3 | -58.1 | 179.9 | -63.8 | 179.3 | 2.5 | 110.7 | M223 D224 L230 | M223-R228 CarbonylContact C-O 3.47Å; M223-R228 VanDerWaalsContact CA-O 3.23Å; M223-R228 WeakPolarHBondContact CA-O 3.41Å; D224-R228 PolarHBondContact N-O 2.78Å; D224-R228 WeakPolarHBondContact OD1-CB 3.46Å; D224-R228 PolarHBondContact OD1-N 3.22Å; D224-R228 IonicContact OD1-NE 3.78Å; D224-R228 IonicContact OD2-CZ 3.19Å; D224-R228 IonicContact OD2-NE 2.82Å; D224-R228 PolarHBondContact OD2-NE 2.9Å; D224-R228 IonicContact OD2-NH2 2.72Å; D224-R228 PolarHBondContact OD2-NH2 3.28Å; R228-L230 PolarHBondContact O-N 2.7Å | ||
| 229 | P | 68.8 | Low | 56.6 | Low | 91 Ų | 91 | 124 Ų | 124 | 59% | 0.591 | 65% | 0.649 | S | S | * | * | B | Isolated β-bridge | trans | -57.7 | 126.9 | 178.1 | -21.5 | 30.6 | 0 | 0 | 0 | 112 | E222 M223 K231 | E222-P229 CarbonylContact O-C 3.51Å; E222-P229 WeakPolarHBondContact O-CA 3.18Å; M223-P229 HydrophobicContact SD-CG 4.21Å; P229-K231 PolarHBondContact O-N 3.48Å |
| 230 | L | 65.3 | Low | 55.4 | Low | 102 Ų | 102 | 124 Ų | 124 | 53% | 0.534 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -68.1 | -20.6 | 175 | -73.3 | 168.6 | 0 | 0 | 0 | 112.4 | G221 E222 M223 D224 R228 | G221-L230 WeakPolarHBondContact O-CD1 3.34Å; E222-L230 PolarHBondContact O-N 3.04Å; M223-L230 VanDerWaalsContact C-CG 3.5Å; M223-L230 WeakPolarHBondContact O-CD1 3.49Å; D224-L230 HydrophobicContact CB-CD2 3.83Å; R228-L230 PolarHBondContact O-N 2.7Å |
| 231 | K | 65.4 | Low | 54.7 | Low | 166 Ų | 166 | 119.5 Ų | 119.5 | 72% | 0.722 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -107.1 | 104.6 | 175.8 | -68.8 | 178.4 | -176.8 | 170.3 | 0 | 109.6 | P229 F233 | P229-K231 PolarHBondContact O-N 3.48Å; K231-F233 PolarHBondContact O-N 3.3Å; K231-F233 VanDerWaalsContact O-N 3.13Å |
| 232 | I | 53.7 | Low | 53.4 | Low | 159 Ų | 159 | 124.3 Ų | 124.3 | 82% | 0.815 | 67% | 0.669 | S | S | * | * | trans | -61.2 | 113.2 | 162.8 | -62 | 168.8 | 0 | 0 | 0 | 106.3 | K234 | I232-K234 PolarHBondContact O-N 2.97Š| ||
| 233 | F | 44.6 | Very low | 51.5 | Low | 197 Ų | 197 | 125.2 Ų | 125.2 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | trans | -55.7 | 101.5 | 168.7 | -110.6 | -89.9 | 0 | 0 | 0 | 107.8 | K231 M235 | K231-F233 PolarHBondContact O-N 3.3Å; K231-F233 VanDerWaalsContact O-N 3.13Å; F233-M235 PolarHBondContact O-N 3.29Å | ||
| 234 | K | 41.5 | Very low | 50.5 | Low | 194 Ų | 194 | 129 Ų | 129 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | trans | -74.7 | 104.5 | 169.9 | -156.6 | 177.8 | -174.7 | -177 | 0 | 105.4 | I232 | I232-K234 PolarHBondContact O-N 2.97Š| ||
| 235 | M | 38.6 | Very low | 48.9 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 84% | 0.837 | 74% | 0.742 | S | S | * | * | trans | -57.1 | 134 | 174 | -72.9 | -161 | 173.5 | 0 | 0 | 109 | F233 S237 | F233-M235 PolarHBondContact O-N 3.29Å; M235-S237 PolarHBondContact O-N 3.4Å; M235-S237 VanDerWaalsContact O-N 3.16Å | ||
| 236 | P | 43.8 | Very low | 48.3 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | trans | -69.8 | 113 | 177.6 | 27 | -30.1 | 0 | 0 | 0 | 109 | E238 | P236-E238 PolarHBondContact O-N 3.45Š| ||
| 237 | S | 33.2 | Very low | 47.7 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -84.3 | 97.9 | 163.1 | 56.4 | 0 | 0 | 0 | 0 | 108.3 | M235 | M235-S237 PolarHBondContact O-N 3.4Å; M235-S237 VanDerWaalsContact O-N 3.16Å | ||
| 238 | E | 42 | Very low | 47.2 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -136.9 | 101.7 | 169.3 | -66.7 | -173.4 | 170 | 0 | 0 | 106.7 | P236 | P236-E238 PolarHBondContact O-N 3.45Š| ||
| 239 | N | 39.1 | Very low | 46.4 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | 71.9 | 124.8 | 91.5 | -76.8 | -18.2 | 0 | 0 | 0 | 114.5 | |||||
| 240 | S | 38.7 | Very low | 45.5 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 62.2 | 114.8 | 157.3 | 62.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 241 | A | 47.7 | Very low | 45 | Very low | 88 Ų | 88 | 147.4 Ų | 147.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 170.7 | 122.8 | 114.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 242 | D | 42.1 | Very low | 44.1 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | 57 | 118.1 | 140.2 | -64.2 | -35.1 | 0 | 0 | 0 | 122.5 | ||||
| 243 | C | 32.2 | Very low | 43.6 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -82.3 | 152.3 | 167.4 | -160.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 244 | P | 45.6 | Very low | 43.6 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -129.7 | 138.3 | 133.4 | 33.9 | -23.1 | 0 | 0 | 0 | 112.7 | ||||
| 245 | K | 38.8 | Very low | 43.7 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -71.7 | 142 | 168.2 | -62.7 | 175.1 | 177 | 178.6 | 0 | 109.7 | ||||
| 246 | S | 49.1 | Very low | 44 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -150.9 | 125.3 | 145.1 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 247 | E | 48.9 | Very low | 44 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -67.8 | 146.3 | -174.9 | -69.6 | 161.2 | 154.4 | 0 | 0 | 112.9 | ||||
| 248 | E | 48.1 | Very low | 44.7 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | 53.3 | 108.7 | 124.3 | -147.3 | 170.1 | -148.7 | 0 | 0 | 118.4 | |||||
| 249 | N | 46.9 | Very low | 44.9 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 72% | 0.717 | 82% | 0.815 | S | S | * | * | 179.9 | 140 | 112 | -96.1 | -37.4 | 0 | 0 | 0 | 114.6 | |||||
| 250 | D | 50.4 | Low | 45.3 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 63% | 0.626 | 82% | 0.817 | S | S | * | * | trans | 78.8 | 112.5 | 139 | -72.5 | -45.6 | 0 | 0 | 0 | 123.4 | ||||
| 251 | Q | 54.1 | Low | 45.9 | Very low | 164 Ų | 164 | 151.8 Ų | 151.8 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | 80.3 | 97.5 | 127.1 | -65 | 167.6 | 36.1 | 0 | 0 | 119.8 | |||||
| 252 | Q | 46.9 | Very low | 45.7 | Very low | 274 Ų | 274 | 157.6 Ų | 157.6 | 100% | 1.28 | 82% | 0.824 | S | S | * | * | -168.6 | 0 | 107.2 | -108 | 171.9 | -0.9 | 0 | 0 | 111.8 |
Retrieved 252 of 252 residues in 52.9 ms
(Link to these results)