| 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 | 33 | Very low | 39.4 | Very low | 127 Ų | 127 | 63.8 Ų | 63.8 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | 0 | 114 | 0 | -82.8 | 176.2 | -169.6 | 0 | 0 | 108.5 | L87 | M1-L87 HydrophobicContact CG-CD2 4.39Å; M1-L87 HydrophobicContact SD-CD2 4.04Å | |||
| 2 | I | 29.8 | Very low | 40.6 | Very low | 98 Ų | 98 | 62.3 Ų | 62.3 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | trans | -103.4 | 114.9 | 176.1 | -63.1 | 171 | 0 | 0 | 0 | 106.3 | L111 | I2-L111 HydrophobicContact CG2-CD1 4.1Š| ||
| 3 | F | 35 | Very low | 41.7 | Very low | 28 Ų | 28 | 64.9 Ų | 64.9 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | trans | -76.6 | 127.5 | 178.4 | -62.8 | -89.9 | 0 | 0 | 0 | 109.4 | I5 Y49 F108 L111 I141 | F3-I5 VanDerWaalsContact C-N 3.33Å; F3-I5 HydrophobicContact CB-CG1 4.45Å; F3-I5 PolarHBondContact O-N 3.39Å; F3-Y49 HydrophobicContact CE1-CE2 4.09Å; F3-Y49 HydrophobicContact CZ-CE2 4.41Å; F3-Y49 AromaticContact CZ-CZ 3.97Å; F3-Y49 WeakPolarHBondContact CZ-OH 3.23Å; F3-F108 HydrophobicContact CD2-CD1 4.18Å; F3-F108 AromaticContact CD2-CE1 3.58Å; F3-F108 HydrophobicContact CD2-CE1 3.58Å; F3-F108 HydrophobicContact CD2-CZ 4.1Å; F3-F108 AromaticContact CE2-CE1 3.86Å; F3-F108 HydrophobicContact CE2-CE1 3.86Å; F3-F108 AromaticContact CE2-CZ 3.89Å; F3-F108 HydrophobicContact CE2-CZ 3.89Å; F3-F108 HydrophobicContact CG-CE1 4.18Å; F3-L111 WeakPolarHBondContact O-CD1 3.05Å; F3-L111 WeakPolarHBondContact O-CD2 3.08Å; F3-I141 HydrophobicContact CE1-CD1 3.95Å | ||
| 4 | T | 31.6 | Very low | 43 | Very low | 78 Ų | 78 | 70.2 Ų | 70.2 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | trans | -91.8 | 63.9 | 169.4 | 38.5 | 0 | 0 | 0 | 0 | 111 | L111 | T4-L111 HydrophobicContact CG2-CD1 4.44Š| ||
| 5 | I | 37.8 | Very low | 44.9 | Very low | 15 Ų | 15 | 67.1 Ų | 67.1 | 8% | 0.077 | 37% | 0.367 | C | S | . | . | trans | -120.2 | 92.8 | 173.8 | -41.9 | 172.4 | 0 | 0 | 0 | 109.6 | F3 S7 L10 F82 I85 L143 | F3-I5 VanDerWaalsContact C-N 3.33Å; F3-I5 HydrophobicContact CB-CG1 4.45Å; F3-I5 PolarHBondContact O-N 3.39Å; I5-S7 VanDerWaalsContact C-N 3.26Å; I5-S7 PolarHBondContact O-N 2.69Å; I5-L10 HydrophobicContact CB-CD1 3.56Å; I5-L10 HydrophobicContact CD1-CD1 4.35Å; I5-L10 HydrophobicContact CG2-CD1 3.16Å; I5-F82 HydrophobicContact CG2-CD1 4.43Å; I5-I85 HydrophobicContact CD1-CB 4.31Å; I5-I85 HydrophobicContact CD1-CD1 3.38Å; I5-I85 HydrophobicContact CD1-CG1 3.55Å; I5-I85 HydrophobicContact CD1-CG2 3.77Å; I5-I85 HydrophobicContact CG1-CG1 4.24Å; I5-I85 HydrophobicContact CG1-CG2 4.26Å; I5-L143 HydrophobicContact CD1-CD1 3.24Å; I5-L143 HydrophobicContact CD1-CG 4.41Å | ||
| 6 | K | 37.2 | Very low | 47 | Very low | 64 Ų | 64 | 73.1 Ų | 73.1 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | trans | -77 | 76.1 | 173.5 | -66.5 | -179.7 | 176.1 | 176.9 | 0 | 109.5 | L111 T113 S115 S116 R117 | K6-L111 HydrophobicContact CB-CD2 4.42Å; K6-L111 HydrophobicContact CG-CD2 3.53Å; K6-L111 HydrophobicContact CG-CG 4.14Å; K6-T113 PolarHBondContact NZ-O 2.9Å; K6-T113 PolarHBondContact NZ-OG1 3.1Å; K6-S115 WeakPolarHBondContact CB-O 3.05Å; K6-S116 WeakPolarHBondContact O-CA 3.29Å; K6-R117 PolarHBondContact O-N 2.92Å | ||
| 7 | S | 42.5 | Very low | 49.1 | Very low | 18 Ų | 18 | 72.2 Ų | 72.2 | 13% | 0.126 | 38% | 0.384 | C | S | . | . | trans | -112.1 | 126 | 160.8 | 176.9 | 0 | 0 | 0 | 0 | 107.4 | I5 K9 L10 S11 | I5-S7 VanDerWaalsContact C-N 3.26Å; I5-S7 PolarHBondContact O-N 2.69Å; S7-K9 PolarHBondContact O-N 3.24Å; S7-K9 PolarHBondContact OG-N 3.01Å; S7-L10 PolarHBondContact O-N 2.64Å; S7-S11 PolarHBondContact O-N 3.37Å | ||
| 8 | N | 46.4 | Very low | 51 | Low | 133 Ų | 133 | 71.8 Ų | 71.8 | 71% | 0.711 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -20.6 | 176.4 | -64.8 | 2.1 | 0 | 0 | 0 | 112.2 | S11 | N8-S11 PolarHBondContact O-OG 3.45Š|
| 9 | K | 47 | Very low | 52.7 | Low | 48 Ų | 48 | 71.8 Ų | 71.8 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -28.3 | 177.3 | -63.6 | -171.7 | 172.5 | -169 | 0 | 114.3 | S7 S11 D12 Y78 I145 H147 | S7-K9 PolarHBondContact O-N 3.24Å; S7-K9 PolarHBondContact OG-N 3.01Å; K9-S11 PolarHBondContact O-N 3.34Å; K9-D12 WeakPolarHBondContact O-CB 3.35Å; K9-D12 PolarHBondContact O-N 3.17Å; K9-Y78 PolarHBondContact NZ-OH 3.07Å; K9-I145 HydrophobicContact CD-CG2 4.38Å; K9-H147 PolarHBondContact NZ-CD2 3.11Å; K9-H147 VanDerWaalsContact NZ-CG 3.34Å |
| 10 | L | 46.9 | Very low | 54.3 | Low | 23 Ų | 23 | 69.7 Ų | 69.7 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -24.4 | 176.3 | -75.5 | 165.4 | 0 | 0 | 0 | 111.9 | I5 S7 D12 L47 L143 I145 | I5-L10 HydrophobicContact CB-CD1 3.56Å; I5-L10 HydrophobicContact CD1-CD1 4.35Å; I5-L10 HydrophobicContact CG2-CD1 3.16Å; S7-L10 PolarHBondContact O-N 2.64Å; L10-D12 VanDerWaalsContact C-N 3.32Å; L10-L47 HydrophobicContact CD2-CD1 3.6Å; L10-L47 HydrophobicContact CD2-CD2 3.95Å; L10-L47 HydrophobicContact CD2-CG 4.46Å; L10-L143 HydrophobicContact CD1-CD1 4.21Å; L10-L143 HydrophobicContact CD2-CD1 4.04Å; L10-I145 HydrophobicContact CD1-CD1 4.22Å; L10-I145 HydrophobicContact CD2-CD1 3.85Å; L10-I145 HydrophobicContact CD2-CG1 4.43Å; L10-I145 HydrophobicContact CG-CD1 3.72Å |
| 11 | S | 46.4 | Very low | 55.4 | Low | 70 Ų | 70 | 68.6 Ų | 68.6 | 49% | 0.49 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.1 | 171.9 | 51.7 | 0 | 0 | 0 | 0 | 114 | S7 N8 K9 P13 | S7-S11 PolarHBondContact O-N 3.37Å; N8-S11 PolarHBondContact O-OG 3.45Å; K9-S11 PolarHBondContact O-N 3.34Å; S11-P13 VanDerWaalsContact O-CD 3.26Å; S11-P13 WeakPolarHBondContact O-CD 2.85Å |
| 12 | D | 53.2 | Low | 57.5 | Low | 45 Ų | 45 | 62.7 Ų | 62.7 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | trans | -75 | 112.2 | -180 | -174.3 | -11.1 | 0 | 0 | 0 | 110 | K9 L10 N14 C15 | K9-D12 WeakPolarHBondContact O-CB 3.35Å; K9-D12 PolarHBondContact O-N 3.17Å; L10-D12 VanDerWaalsContact C-N 3.32Å; D12-N14 PolarHBondContact O-N 3.19Å; D12-N14 VanDerWaalsContact O-N 3.07Å; D12-N14 WeakPolarHBondContact OD1-CB 3.14Å; D12-N14 PolarHBondContact OD1-N 3.4Å; D12-C15 HydrophobicContact CB-CB 4.35Å; D12-C15 WeakPolarHBondContact O-CB 3.29Å; D12-C15 PolarHBondContact O-N 3.01Å | ||
| 13 | P | 55.1 | Low | 59.5 | Low | 97 Ų | 97 | 62.2 Ų | 62.2 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -16.4 | -178.9 | 27.2 | -35 | 0 | 0 | 0 | 113.2 | S11 | S11-P13 VanDerWaalsContact O-CD 3.26Å; S11-P13 WeakPolarHBondContact O-CD 2.85Å |
| 14 | N | 60.9 | Low | 61.2 | Low | 139 Ų | 139 | 67.5 Ų | 67.5 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -2.9 | 178.1 | -61.2 | -39 | 0 | 0 | 0 | 113.1 | D12 R16 | D12-N14 PolarHBondContact O-N 3.19Å; D12-N14 VanDerWaalsContact O-N 3.07Å; D12-N14 WeakPolarHBondContact OD1-CB 3.14Å; D12-N14 PolarHBondContact OD1-N 3.4Å; N14-R16 PolarHBondContact O-N 2.74Å; N14-R16 VanDerWaalsContact O-N 3.1Å |
| 15 | C | 71.3 | Confident | 63.2 | Low | 23 Ų | 23 | 71.2 Ų | 71.2 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | trans | -70.1 | 109.7 | 179.1 | -168.4 | 0 | 0 | 0 | 0 | 110.6 | D12 C17 C45 | D12-C15 HydrophobicContact CB-CB 4.35Å; D12-C15 WeakPolarHBondContact O-CB 3.29Å; D12-C15 PolarHBondContact O-N 3.01Å; C15-C17 PolarHBondContact O-N 3.37Å; C15-C45 HydrophobicContact CB-CB 3.55Å; C15-C45 WeakPolarHBondContact CB-SG 3.3Å; C15-C45 WeakPolarHBondContact SG-CB 3.32Å; C15-C45 PolarHBondContact SG-O 3.08Å; C15-C45 CovalentContact SG-SG 2.03Å; C15-C45 PolarHBondContact SG-SG 3.07Å | ||
| 16 | R | 78.1 | Confident | 64.9 | Low | 163 Ų | 163 | 75.8 Ų | 75.8 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.5 | 176.1 | 179.8 | 178.6 | -179.6 | 179.4 | 2.7 | 109.5 | N14 L46 L47 | N14-R16 PolarHBondContact O-N 2.74Å; N14-R16 VanDerWaalsContact O-N 3.1Å; R16-L46 HydrophobicContact CB-CD1 3.82Å; R16-L46 HydrophobicContact CG-CD1 3.94Å; R16-L46 WeakPolarHBondContact O-CD1 3.11Å; R16-L47 PolarHBondContact O-N 2.02Å |
| 17 | C | 83.1 | Confident | 66.8 | Low | 59 Ų | 59 | 76.2 Ų | 76.2 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.2 | -174.7 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | C15 L47 | C15-C17 PolarHBondContact O-N 3.37Å; C17-L47 CarbonylContact C-O 3.53Å; C17-L47 WeakPolarHBondContact CA-O 3.39Å; C17-L47 HydrophobicContact CB-CB 4.18Å; C17-L47 HydrophobicContact CB-CD2 4.27Å |
| 18 | F | 83.5 | Confident | 68.7 | Low | 64 Ų | 64 | 76.6 Ų | 76.6 | 28% | 0.281 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.1 | 167.6 | -67.9 | -74.3 | 0 | 0 | 0 | 109.2 | F20 P33 L46 L47 Y48 Y49 | F18-F20 HydrophobicContact CB-CE2 3.77Å; F18-F20 HydrophobicContact CB-CZ 4.19Å; F18-P33 HydrophobicContact CE2-CG 4.29Å; F18-L46 HydrophobicContact CD2-CD1 3.9Å; F18-L46 HydrophobicContact CD2-CG 4.34Å; F18-L46 HydrophobicContact CE2-CD1 3.55Å; F18-L46 HydrophobicContact CE2-CD2 4.12Å; F18-L46 HydrophobicContact CE2-CG 4.2Å; F18-L47 PolarHBondContact N-O 3.45Å; F18-Y48 HydrophobicContact CB-CD1 4.16Å; F18-Y48 HydrophobicContact CB-CE1 4.47Å; F18-Y48 HydrophobicContact CD2-CD1 4.39Å; F18-Y48 AromaticContact CD2-CE1 3.98Å; F18-Y48 HydrophobicContact CD2-CE1 3.98Å; F18-Y48 HydrophobicContact CG-CE1 4.48Å; F18-Y48 CarbonylContact O-C 3.55Å; F18-Y48 WeakPolarHBondContact O-CA 3.38Å; F18-Y49 PolarHBondContact O-N 2.92Å |
| 19 | V | 83.5 | Confident | 70.6 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 44% | 0.436 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132 | -177.8 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | Y49 | V19-Y49 CarbonylContact C-O 3.4Å; V19-Y49 WeakPolarHBondContact CA-O 3.49Å; V19-Y49 HydrophobicContact CG1-CD1 3.85Å; V19-Y49 HydrophobicContact CG1-CE1 4.46Å; V19-Y49 HydrophobicContact CG2-CD1 4.16Å |
| 20 | F | 83.6 | Confident | 72.6 | Confident | 30 Ų | 30 | 73 Ų | 73 | 13% | 0.132 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 96.3 | 176.5 | -57.7 | -92.1 | 0 | 0 | 0 | 107.7 | F18 F30 Y48 Y49 F50 H51 Y167 | F18-F20 HydrophobicContact CB-CE2 3.77Å; F18-F20 HydrophobicContact CB-CZ 4.19Å; F20-F30 HydrophobicContact CE1-CB 3.91Å; F20-F30 HydrophobicContact CE2-CB 4.34Å; F20-F30 HydrophobicContact CZ-CB 3.65Å; F20-Y48 AromaticContact CE2-CD1 3.7Å; F20-Y48 HydrophobicContact CE2-CD1 3.7Å; F20-Y48 HydrophobicContact CE2-CG 4.45Å; F20-Y48 HydrophobicContact CZ-CD1 4.05Å; F20-Y49 PolarHBondContact N-O 3.19Å; F20-F50 HydrophobicContact CB-CD1 3.5Å; F20-F50 HydrophobicContact CB-CE1 3.9Å; F20-F50 HydrophobicContact CB-CG 4.24Å; F20-F50 HydrophobicContact CD1-CE1 4.11Å; F20-F50 AromaticContact CD2-CD1 3.83Å; F20-F50 HydrophobicContact CD2-CD1 3.83Å; F20-F50 AromaticContact CD2-CE1 3.55Å; F20-F50 HydrophobicContact CD2-CE1 3.55Å; F20-F50 HydrophobicContact CD2-CE2 4.36Å; F20-F50 HydrophobicContact CD2-CG 4.33Å; F20-F50 AromaticContact CD2-CZ 3.85Å; F20-F50 HydrophobicContact CD2-CZ 3.85Å; F20-F50 HydrophobicContact CE2-CE1 4.11Å; F20-F50 HydrophobicContact CE2-CZ 4.05Å; F20-F50 AromaticContact CG-CD1 3.72Å; F20-F50 HydrophobicContact CG-CD1 3.72Å; F20-F50 AromaticContact CG-CE1 3.56Å; F20-F50 HydrophobicContact CG-CE1 3.56Å; F20-F50 HydrophobicContact CG-CZ 4.32Å; F20-F50 WeakPolarHBondContact O-CA 3.05Å; F20-H51 PolarHBondContact O-N 2.88Å; F20-Y167 HydrophobicContact CB-CE1 4.39Å; F20-Y167 HydrophobicContact CB-CE2 4.17Å; F20-Y167 AromaticContact CD1-CD1 3.97Å; F20-Y167 HydrophobicContact CD1-CD1 3.97Å; F20-Y167 AromaticContact CD1-CE1 3.34Å; F20-Y167 HydrophobicContact CD1-CE1 3.34Å; F20-Y167 AromaticContact CD1-CZ 3.7Å; F20-Y167 HydrophobicContact CE1-CD1 4.46Å; F20-Y167 AromaticContact CE1-CE1 3.96Å; F20-Y167 HydrophobicContact CE1-CE1 3.96Å; F20-Y167 HydrophobicContact CG-CE1 4.17Å |
| 21 | D | 77.6 | Confident | 74.7 | Confident | 46 Ų | 46 | 77 Ų | 77 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.4 | -177 | -164.8 | -49.7 | 0 | 0 | 0 | 110.6 | T23 M24 Y25 H51 | D21-T23 VanDerWaalsContact CG-OG1 3.27Å; D21-T23 PolarHBondContact O-N 2.84Å; D21-T23 VanDerWaalsContact OD1-CB 3.29Å; D21-T23 WeakPolarHBondContact OD1-CB 3.1Å; D21-T23 WeakPolarHBondContact OD1-CG2 3.15Å; D21-T23 PolarHBondContact OD1-N 3.34Å; D21-T23 PolarHBondContact OD1-OG1 3.11Å; D21-M24 HydrophobicContact CB-CG 4.48Å; D21-M24 WeakPolarHBondContact O-CB 3.01Å; D21-M24 PolarHBondContact O-N 3.34Å; D21-Y25 PolarHBondContact O-N 3.3Å; D21-H51 WeakPolarHBondContact CA-O 3.46Å; D21-H51 IonicContact OD1-ND1 2.62Å; D21-H51 IonicContact OD2-CE1 3.3Å; D21-H51 IonicContact OD2-ND1 3.9Å; D21-H51 PolarHBondContact OD2-ND1 3.35Å; D21-H51 VanDerWaalsContact OD2-ND1 3.07Å |
| 22 | S | 77.3 | Confident | 76.8 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 3% | 0.028 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.7 | -177.1 | 76.3 | 0 | 0 | 0 | 0 | 114.1 | M24 Y25 H51 G52 L53 E56 | S22-M24 PolarHBondContact O-N 3.33Å; S22-Y25 WeakPolarHBondContact CA-O 3.3Å; S22-H51 PolarHBondContact N-O 2.95Å; S22-G52 VanDerWaalsContact OG-CA 3.3Å; S22-G52 WeakPolarHBondContact OG-CA 2.94Å; S22-L53 PolarHBondContact OG-N 2.86Å; S22-L53 VanDerWaalsContact OG-N 3.16Å; S22-E56 WeakPolarHBondContact CB-OE2 3.32Å; S22-E56 PolarHBondContact OG-OE2 2.72Å |
| 23 | T | 71.5 | Confident | 78.3 | Confident | 88 Ų | 88 | 73.1 Ų | 73.1 | 54% | 0.54 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.1 | 172 | 62.2 | 0 | 0 | 0 | 0 | 112 | D21 L53 | D21-T23 VanDerWaalsContact CG-OG1 3.27Å; D21-T23 PolarHBondContact O-N 2.84Å; D21-T23 VanDerWaalsContact OD1-CB 3.29Å; D21-T23 WeakPolarHBondContact OD1-CB 3.1Å; D21-T23 WeakPolarHBondContact OD1-CG2 3.15Å; D21-T23 PolarHBondContact OD1-N 3.34Å; D21-T23 PolarHBondContact OD1-OG1 3.11Å; T23-L53 HydrophobicContact CG2-CD2 3.64Å; T23-L53 HydrophobicContact CG2-CG 4.33Å |
| 24 | M | 71.5 | Confident | 79.7 | Confident | 139 Ų | 139 | 73.3 Ų | 73.3 | 69% | 0.685 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -53.1 | 176.9 | -60.1 | -67.2 | -70.5 | 0 | 0 | 110.8 | D21 S22 | D21-M24 HydrophobicContact CB-CG 4.48Å; D21-M24 WeakPolarHBondContact O-CB 3.01Å; D21-M24 PolarHBondContact O-N 3.34Å; S22-M24 PolarHBondContact O-N 3.33Å |
| 25 | Y | 72.3 | Confident | 80.8 | Confident | 156 Ų | 156 | 68.9 Ų | 68.9 | 61% | 0.612 | 35% | 0.349 | S | S | * | . | trans | -141.4 | 114.8 | -177.6 | -60.3 | -75 | 0 | 0 | 0 | 110.7 | D21 S22 S27 | D21-Y25 PolarHBondContact O-N 3.3Å; S22-Y25 WeakPolarHBondContact CA-O 3.3Å; Y25-S27 PolarHBondContact O-N 3.29Å | ||
| 26 | K | 73.8 | Confident | 81.6 | Confident | 110 Ų | 110 | 72 Ų | 72 | 48% | 0.478 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -71.1 | -15.2 | 177.6 | -68 | -161.6 | 177.7 | -127.9 | 0 | 114.7 | E56 Q168 N169 | K26-E56 IonicContact NZ-OE1 3.87Å; K26-E56 PolarHBondContact NZ-OE1 3.42Å; K26-Q168 CarbonylContact O-C 3.59Å; K26-Q168 WeakPolarHBondContact O-CA 3.04Å; K26-N169 PolarHBondContact O-N 3.31Å; K26-N169 PolarHBondContact O-OD1 3.42Å |
| 27 | S | 78.7 | Confident | 82 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 52% | 0.517 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 153.7 | 178.2 | 60.8 | 0 | 0 | 0 | 0 | 110.4 | Y25 Y167 | Y25-S27 PolarHBondContact O-N 3.29Å; S27-Y167 CarbonylContact C-O 3.47Å; S27-Y167 WeakPolarHBondContact CA-O 3.38Å; S27-Y167 WeakPolarHBondContact CB-O 3.38Å |
| 28 | G | 81.3 | Confident | 82.2 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 26% | 0.258 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | -165.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N166 Y167 | G28-N166 CarbonylContact O-C 3.49Å; G28-N166 VanDerWaalsContact O-CA 3.23Å; G28-N166 WeakPolarHBondContact O-CA 3.43Å; G28-Y167 VanDerWaalsContact C-CD1 3.47Å; G28-Y167 PolarHBondContact N-O 2.01Å; G28-Y167 VanDerWaalsContact N-O 3.08Å; G28-Y167 VanDerWaalsContact O-CD1 3.29Å; G28-Y167 WeakPolarHBondContact O-CD1 3.29Å; G28-Y167 PolarHBondContact O-N 3.1Å |
| 29 | I | 85.5 | Confident | 82.5 | Confident | 105 Ų | 105 | 69.2 Ų | 69.2 | 54% | 0.538 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.9 | -179.4 | -61.8 | 171 | 0 | 0 | 0 | 108.9 | I164 G165 N166 | I29-I164 HydrophobicContact CG2-CD1 3.77Å; I29-I164 HydrophobicContact CG2-CG1 3.73Å; I29-G165 CarbonylContact C-O 3.59Å; I29-G165 VanDerWaalsContact CA-O 3.31Å; I29-G165 WeakPolarHBondContact CA-O 3.41Å; I29-N166 WeakPolarHBondContact CG1-OD1 3.46Å |
| 30 | F | 90.5 | Very high | 82.6 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 147 | 167.3 | 73 | -81.8 | 0 | 0 | 0 | 109.5 | F20 Y48 F50 I60 F62 L144 F163 I164 G165 Y167 | F20-F30 HydrophobicContact CE1-CB 3.91Å; F20-F30 HydrophobicContact CE2-CB 4.34Å; F20-F30 HydrophobicContact CZ-CB 3.65Å; F30-Y48 HydrophobicContact CB-CD1 4.42Å; F30-Y48 HydrophobicContact CD2-CD1 4.39Å; F30-F50 HydrophobicContact CB-CE1 4.33Å; F30-F50 HydrophobicContact CB-CZ 3.99Å; F30-F50 HydrophobicContact CD1-CE1 4.21Å; F30-F50 AromaticContact CD1-CZ 3.9Å; F30-F50 HydrophobicContact CD1-CZ 3.9Å; F30-F50 HydrophobicContact CD2-CZ 4.12Å; F30-F50 HydrophobicContact CE1-CZ 4.43Å; F30-F50 HydrophobicContact CG-CE1 4.32Å; F30-F50 AromaticContact CG-CZ 3.74Å; F30-F50 HydrophobicContact CG-CZ 3.74Å; F30-I60 HydrophobicContact CE1-CB 3.86Å; F30-I60 HydrophobicContact CE1-CG2 4.04Å; F30-I60 HydrophobicContact CZ-CB 4.05Å; F30-I60 HydrophobicContact CZ-CD1 4.19Å; F30-I60 HydrophobicContact CZ-CG2 4.4Å; F30-F62 HydrophobicContact CE2-CD1 4.34Å; F30-F62 AromaticContact CE2-CE1 3.67Å; F30-F62 HydrophobicContact CE2-CE1 3.67Å; F30-F62 HydrophobicContact CE2-CZ 4.24Å; F30-F62 HydrophobicContact CZ-CD1 4.09Å; F30-F62 AromaticContact CZ-CE1 3.71Å; F30-F62 HydrophobicContact CZ-CE1 3.71Å; F30-F62 HydrophobicContact CZ-CZ 4.14Å; F30-L144 HydrophobicContact CD2-CD1 4.24Å; F30-L144 HydrophobicContact CE2-CD1 3.73Å; F30-L144 HydrophobicContact CZ-CD1 4.33Å; F30-F163 HydrophobicContact CD2-CD2 4.21Å; F30-F163 AromaticContact CD2-CE2 3.99Å; F30-F163 HydrophobicContact CD2-CE2 3.99Å; F30-F163 AromaticContact CE2-CD2 3.94Å; F30-F163 HydrophobicContact CE2-CD2 3.94Å; F30-F163 AromaticContact CE2-CE2 3.97Å; F30-F163 HydrophobicContact CE2-CE2 3.97Å; F30-I164 CarbonylContact O-C 3.48Å; F30-I164 WeakPolarHBondContact O-CA 3.1Å; F30-G165 VanDerWaalsContact CD1-O 3.29Å; F30-G165 WeakPolarHBondContact CD1-O 3.45Å; F30-G165 VanDerWaalsContact CE1-C 3.45Å; F30-G165 PolarHBondContact N-O 3.43Å; F30-G165 PolarHBondContact O-N 3.43Å; F30-Y167 HydrophobicContact CD1-CD1 4.49Å |
| 31 | K | 91 | Very high | 82.7 | Confident | 106 Ų | 106 | 71 Ų | 71 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 160.7 | -177.7 | 61.7 | -172 | -175.6 | 171.6 | 0 | 112.6 | Y35 Y48 F163 I164 | K31-Y35 HydrophobicContact CD-CD1 4.33Å; K31-Y48 WeakPolarHBondContact O-CE1 3.37Å; K31-Y48 PolarHBondContact O-OH 2.99Å; K31-F163 CarbonylContact C-O 3.45Å; K31-F163 WeakPolarHBondContact CA-O 3.31Å; K31-F163 WeakPolarHBondContact CB-O 3.37Å; K31-I164 HydrophobicContact CB-CB 3.95Å; K31-I164 HydrophobicContact CB-CD1 4.37Å; K31-I164 HydrophobicContact CB-CG1 4.05Å; K31-I164 HydrophobicContact CD-CD1 4.33Å |
| 32 | T | 90.4 | Very high | 83.2 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.006 | 38% | 0.376 | C | S | . | . | trans | -59.9 | 146.4 | 168 | 41.7 | 0 | 0 | 0 | 0 | 111 | N34 Y35 Y48 F146 M161 F163 | T32-N34 PolarHBondContact O-N 2.77Å; T32-Y35 WeakPolarHBondContact O-CB 3.18Å; T32-Y35 PolarHBondContact O-N 3.29Å; T32-Y48 WeakPolarHBondContact CA-OH 3.37Å; T32-F146 HydrophobicContact CG2-CD1 4.43Å; T32-F146 HydrophobicContact CG2-CE1 4.02Å; T32-F146 HydrophobicContact CG2-CZ 4.27Å; T32-M161 PolarHBondContact OG1-O 3.16Å; T32-F163 HydrophobicContact CG2-CD1 3.31Å; T32-F163 HydrophobicContact CG2-CD2 4.04Å; T32-F163 HydrophobicContact CG2-CE1 3.23Å; T32-F163 HydrophobicContact CG2-CE2 3.98Å; T32-F163 HydrophobicContact CG2-CG 3.72Å; T32-F163 HydrophobicContact CG2-CZ 3.59Å; T32-F163 PolarHBondContact N-O 3.09Å; T32-F163 PolarHBondContact OG1-N 3.1Å; T32-F163 VanDerWaalsContact OG1-N 3.16Å; T32-F163 PolarHBondContact OG1-O 3.42Å | ||
| 33 | P | 84.4 | Confident | 83.5 | Confident | 33 Ų | 33 | 76 Ų | 76 | 21% | 0.214 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 140.6 | 170 | -23.7 | 34.9 | 0 | 0 | 0 | 110.3 | F18 Y35 L46 | F18-P33 HydrophobicContact CE2-CG 4.29Å; P33-Y35 VanDerWaalsContact C-N 3.28Å; P33-Y35 PolarHBondContact O-N 3.07Å; P33-L46 HydrophobicContact CG-CD2 3.55Å |
| 34 | N | 85 | Confident | 84 | Confident | 100 Ų | 100 | 77 Ų | 77 | 54% | 0.535 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | -3.9 | -178.7 | -50.7 | -39.3 | 0 | 0 | 0 | 117.3 | T32 K37 | T32-N34 PolarHBondContact O-N 2.77Å; N34-K37 HydrophobicContact CB-CB 4.25Å; N34-K37 WeakPolarHBondContact O-CA 3.33Å; N34-K37 VanDerWaalsContact O-CB 3.25Å; N34-K37 WeakPolarHBondContact O-CB 3.42Å; N34-K37 PolarHBondContact O-N 3.46Å |
| 35 | Y | 84.2 | Confident | 84.5 | Confident | 47 Ų | 47 | 71 Ų | 71 | 18% | 0.184 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 130.7 | 176.8 | -175.7 | -83 | 0 | 0 | 0 | 111.6 | K31 T32 P33 T64 M161 I164 | K31-Y35 HydrophobicContact CD-CD1 4.33Å; T32-Y35 WeakPolarHBondContact O-CB 3.18Å; T32-Y35 PolarHBondContact O-N 3.29Å; P33-Y35 VanDerWaalsContact C-N 3.28Å; P33-Y35 PolarHBondContact O-N 3.07Å; Y35-T64 PolarHBondContact OH-OG1 3.12Å; Y35-M161 HydrophobicContact CD2-CB 4.21Å; Y35-M161 WeakPolarHBondContact CD2-O 3.26Å; Y35-M161 HydrophobicContact CE2-CB 4.12Å; Y35-I164 HydrophobicContact CD1-CB 4.38Å; Y35-I164 HydrophobicContact CD1-CD1 4.14Å; Y35-I164 HydrophobicContact CD1-CG2 4.48Å; Y35-I164 HydrophobicContact CD2-CB 4.48Å; Y35-I164 HydrophobicContact CD2-CG2 4.4Å; Y35-I164 HydrophobicContact CE1-CB 4.19Å; Y35-I164 HydrophobicContact CE1-CD1 3.92Å; Y35-I164 HydrophobicContact CE1-CG2 3.83Å; Y35-I164 HydrophobicContact CE2-CB 4.29Å; Y35-I164 HydrophobicContact CE2-CG2 3.73Å; Y35-I164 VanDerWaalsContact CZ-CG2 3.41Å; Y35-I164 WeakPolarHBondContact OH-CG2 3.01Å |
| 36 | P | 86.6 | Confident | 85.2 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.6 | 10.6 | 14.1 | 37 | -37.6 | 0 | 0 | 0 | 115.5 | M161 | P36-M161 HydrophobicContact CB-SD 4.27Å; P36-M161 WeakPolarHBondContact O-CG 3.16Å |
| 37 | K | 87.1 | Confident | 85.9 | Confident | 160 Ų | 160 | 59.3 Ų | 59.3 | 70% | 0.696 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -72.6 | 165.8 | 172.3 | -57.9 | -178.5 | 178.5 | 179.5 | 0 | 110.4 | N34 Y39 | N34-K37 HydrophobicContact CB-CB 4.25Å; N34-K37 WeakPolarHBondContact O-CA 3.33Å; N34-K37 VanDerWaalsContact O-CB 3.25Å; N34-K37 WeakPolarHBondContact O-CB 3.42Å; N34-K37 PolarHBondContact O-N 3.46Å; K37-Y39 PolarHBondContact O-N 2.9Å |
| 38 | N | 87.2 | Confident | 86.5 | Confident | 65 Ų | 65 | 55.9 Ų | 55.9 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 139.1 | 177.3 | -73.1 | -6.4 | 0 | 0 | 0 | 111.8 | H157 Q160 | N38-H157 PolarHBondContact ND2-O 2.9Å; N38-Q160 WeakPolarHBondContact CA-O 3.41Å; N38-Q160 PolarHBondContact OD1-N 3.25Å |
| 39 | Y | 88.9 | Confident | 86.9 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 158.9 | 175 | 62.5 | -100.9 | 0 | 0 | 0 | 111.5 | K37 Y41 L67 R68 D77 F146 T148 Q160 | K37-Y39 PolarHBondContact O-N 2.9Å; Y39-Y41 HydrophobicContact CE2-CE1 4.32Å; Y39-L67 HydrophobicContact CD1-CD2 3.88Å; Y39-L67 HydrophobicContact CE1-CD2 3.56Å; Y39-R68 PolarHBondContact OH-N 3.25Å; Y39-R68 VanDerWaalsContact OH-N 3.11Å; Y39-D77 WeakPolarHBondContact CE2-OD2 2.83Å; Y39-D77 PolarHBondContact OH-OD2 2.77Å; Y39-F146 AromaticContact CD2-CZ 4Å; Y39-F146 HydrophobicContact CD2-CZ 4Å; Y39-F146 HydrophobicContact CE2-CZ 4.45Å; Y39-F146 HydrophobicContact CG-CZ 4.06Å; Y39-T148 HydrophobicContact CD2-CG2 3.68Å; Y39-T148 HydrophobicContact CE2-CG2 3.66Å; Y39-Q160 HydrophobicContact CD1-CB 4.23Å; Y39-Q160 WeakPolarHBondContact CD1-O 3.14Å; Y39-Q160 HydrophobicContact CE1-CB 3.58Å; Y39-Q160 HydrophobicContact CE1-CG 4.2Å; Y39-Q160 WeakPolarHBondContact CE1-O 3.05Å; Y39-Q160 PolarHBondContact N-O 3.41Å |
| 40 | Q | 86.2 | Confident | 87.1 | Confident | 111 Ų | 111 | 50.2 Ų | 50.2 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -77.9 | 139.6 | 179.5 | -176 | -179.7 | -33.3 | 0 | 0 | 111.4 | L43 T148 | Q40-L43 HydrophobicContact CB-CD1 4.17Å; Q40-L43 HydrophobicContact CB-CD2 4.38Å; Q40-L43 HydrophobicContact CB-CG 4.3Å; Q40-L43 HydrophobicContact CG-CD2 4.22Å; Q40-L43 HydrophobicContact CG-CG 4.41Å; Q40-L43 WeakPolarHBondContact O-CD1 3.45Å; Q40-T148 PolarHBondContact O-OG1 2.74Å |
| 41 | Y | 86.7 | Confident | 86.7 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 11% | 0.11 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -86.4 | 161.6 | 175.9 | -59.9 | -89.4 | 0 | 0 | 0 | 110.8 | Y39 L43 T148 K151 H157 Q160 | Y39-Y41 HydrophobicContact CE2-CE1 4.32Å; Y41-L43 VanDerWaalsContact C-N 3.3Å; Y41-L43 PolarHBondContact O-N 2.67Å; Y41-T148 WeakPolarHBondContact CA-OG1 3.44Å; Y41-K151 HydrophobicContact CD1-CG 3.61Å; Y41-K151 HydrophobicContact CD2-CD 3.99Å; Y41-K151 HydrophobicContact CD2-CG 3.6Å; Y41-K151 HydrophobicContact CE1-CG 3.83Å; Y41-K151 HydrophobicContact CE2-CD 4.1Å; Y41-K151 HydrophobicContact CE2-CG 3.85Å; Y41-K151 HydrophobicContact CG-CD 4.34Å; Y41-K151 HydrophobicContact CG-CG 3.47Å; Y41-K151 VanDerWaalsContact CG-CG 3.47Å; Y41-H157 WeakPolarHBondContact OH-CB 3.3Å; Y41-Q160 PolarHBondContact OH-OE1 2.94Å |
| 42 | E | 86.7 | Confident | 86.1 | Confident | 125 Ų | 125 | 46.8 Ų | 46.8 | 58% | 0.584 | 24% | 0.235 | S | C | * | . | trans | 63.5 | 32.9 | 177.4 | -52.5 | 179.7 | 164.4 | 0 | 0 | 113.8 | N44 T148 A149 S150 | E42-N44 PolarHBondContact O-N 2.83Å; E42-T148 CarbonylContact C-O 3.57Å; E42-T148 VanDerWaalsContact CA-O 3.3Å; E42-T148 WeakPolarHBondContact CA-O 3.06Å; E42-T148 PolarHBondContact N-O 2.88Å; E42-T148 PolarHBondContact N-OG1 3.36Å; E42-A149 PolarHBondContact N-O 3.38Å; E42-S150 WeakPolarHBondContact CG-OG 3.45Å; E42-S150 VanDerWaalsContact OE1-CB 3.25Å; E42-S150 WeakPolarHBondContact OE1-CB 3.46Å; E42-S150 PolarHBondContact OE1-OG 2.98Å | ||
| 43 | L | 84.8 | Confident | 85.2 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | trans | -83.8 | 105.1 | 170.4 | -62.2 | 175.4 | 0 | 0 | 0 | 109.4 | Q40 Y41 C45 F146 H147 T148 | Q40-L43 HydrophobicContact CB-CD1 4.17Å; Q40-L43 HydrophobicContact CB-CD2 4.38Å; Q40-L43 HydrophobicContact CB-CG 4.3Å; Q40-L43 HydrophobicContact CG-CD2 4.22Å; Q40-L43 HydrophobicContact CG-CG 4.41Å; Q40-L43 WeakPolarHBondContact O-CD1 3.45Å; Y41-L43 VanDerWaalsContact C-N 3.3Å; Y41-L43 PolarHBondContact O-N 2.67Å; L43-C45 VanDerWaalsContact C-N 3.34Å; L43-F146 HydrophobicContact CD1-CD1 4.06Å; L43-F146 HydrophobicContact CD1-CE1 3.91Å; L43-H147 WeakPolarHBondContact O-CA 3.27Å; L43-H147 PolarHBondContact O-CD2 3.14Å; L43-T148 HydrophobicContact CB-CG2 4.48Å; L43-T148 VanDerWaalsContact CB-OG1 3.28Å; L43-T148 WeakPolarHBondContact CB-OG1 3.15Å; L43-T148 HydrophobicContact CD1-CG2 4.39Å; L43-T148 PolarHBondContact N-O 3.41Å; L43-T148 VanDerWaalsContact N-O 3.11Å; L43-T148 PolarHBondContact N-OG1 2.83Å; L43-T148 PolarHBondContact O-N 2.75Å | ||
| 44 | N | 81 | Confident | 84.3 | Confident | 110 Ų | 110 | 51.5 Ų | 51.5 | 59% | 0.588 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -61.9 | -42.7 | 173.3 | -69.8 | -17.2 | 0 | 0 | 0 | 112 | E42 H147 | E42-N44 PolarHBondContact O-N 2.83Å; N44-H147 PolarHBondContact O-CD2 3.39Å |
| 45 | C | 82.5 | Confident | 83.1 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | trans | -159 | 127.6 | -178.8 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | C15 L43 | C15-C45 HydrophobicContact CB-CB 3.55Å; C15-C45 WeakPolarHBondContact CB-SG 3.3Å; C15-C45 WeakPolarHBondContact SG-CB 3.32Å; C15-C45 PolarHBondContact SG-O 3.08Å; C15-C45 CovalentContact SG-SG 2.03Å; C15-C45 PolarHBondContact SG-SG 3.07Å; L43-C45 VanDerWaalsContact C-N 3.34Å | ||
| 46 | L | 87.5 | Confident | 82.5 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 118 | 163.5 | 177.9 | 74.7 | 0 | 0 | 0 | 109.2 | R16 F18 P33 Y48 F146 | R16-L46 HydrophobicContact CB-CD1 3.82Å; R16-L46 HydrophobicContact CG-CD1 3.94Å; R16-L46 WeakPolarHBondContact O-CD1 3.11Å; F18-L46 HydrophobicContact CD2-CD1 3.9Å; F18-L46 HydrophobicContact CD2-CG 4.34Å; F18-L46 HydrophobicContact CE2-CD1 3.55Å; F18-L46 HydrophobicContact CE2-CD2 4.12Å; F18-L46 HydrophobicContact CE2-CG 4.2Å; P33-L46 HydrophobicContact CG-CD2 3.55Å; L46-Y48 HydrophobicContact CD2-CE2 3.73Å; L46-Y48 WeakPolarHBondContact CD2-OH 3.31Å; L46-Y48 HydrophobicContact CG-CE2 3.97Å; L46-F146 HydrophobicContact CB-CB 4.2Å; L46-F146 HydrophobicContact CD2-CD1 4.11Å; L46-F146 PolarHBondContact N-O 2.88Å; L46-F146 PolarHBondContact O-N 3.39Å |
| 47 | L | 88.4 | Confident | 82 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 135 | -173.5 | -175 | 66 | 0 | 0 | 0 | 111.2 | L10 R16 C17 F18 L143 L144 I145 | L10-L47 HydrophobicContact CD2-CD1 3.6Å; L10-L47 HydrophobicContact CD2-CD2 3.95Å; L10-L47 HydrophobicContact CD2-CG 4.46Å; R16-L47 PolarHBondContact O-N 2.02Å; C17-L47 CarbonylContact C-O 3.53Å; C17-L47 WeakPolarHBondContact CA-O 3.39Å; C17-L47 HydrophobicContact CB-CB 4.18Å; C17-L47 HydrophobicContact CB-CD2 4.27Å; F18-L47 PolarHBondContact N-O 3.45Å; L47-L143 HydrophobicContact CD1-CB 4.42Å; L47-L143 HydrophobicContact CD1-CD2 4.04Å; L47-L144 CarbonylContact C-O 3.44Å; L47-L144 WeakPolarHBondContact CA-O 3.07Å; L47-I145 HydrophobicContact CD1-CG1 3.79Å |
| 48 | Y | 90.8 | Very high | 81.8 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.5 | 164.3 | -59.3 | -108.1 | 0 | 0 | 0 | 107.6 | F18 F20 F30 K31 T32 L46 L143 L144 F146 F163 | F18-Y48 HydrophobicContact CB-CD1 4.16Å; F18-Y48 HydrophobicContact CB-CE1 4.47Å; F18-Y48 HydrophobicContact CD2-CD1 4.39Å; F18-Y48 AromaticContact CD2-CE1 3.98Å; F18-Y48 HydrophobicContact CD2-CE1 3.98Å; F18-Y48 HydrophobicContact CG-CE1 4.48Å; F18-Y48 CarbonylContact O-C 3.55Å; F18-Y48 WeakPolarHBondContact O-CA 3.38Å; F20-Y48 AromaticContact CE2-CD1 3.7Å; F20-Y48 HydrophobicContact CE2-CD1 3.7Å; F20-Y48 HydrophobicContact CE2-CG 4.45Å; F20-Y48 HydrophobicContact CZ-CD1 4.05Å; F30-Y48 HydrophobicContact CB-CD1 4.42Å; F30-Y48 HydrophobicContact CD2-CD1 4.39Å; K31-Y48 WeakPolarHBondContact O-CE1 3.37Å; K31-Y48 PolarHBondContact O-OH 2.99Å; T32-Y48 WeakPolarHBondContact CA-OH 3.37Å; L46-Y48 HydrophobicContact CD2-CE2 3.73Å; L46-Y48 WeakPolarHBondContact CD2-OH 3.31Å; L46-Y48 HydrophobicContact CG-CE2 3.97Å; Y48-L143 WeakPolarHBondContact O-CA 3.19Å; Y48-L144 HydrophobicContact CD2-CB 4.26Å; Y48-L144 HydrophobicContact CG-CB 4.48Å; Y48-L144 PolarHBondContact N-O 3.27Å; Y48-L144 PolarHBondContact O-N 3.36Å; Y48-F146 HydrophobicContact CE2-CB 4.43Å; Y48-F163 HydrophobicContact CD2-CZ 4.46Å; Y48-F163 HydrophobicContact CE1-CE2 4.43Å; Y48-F163 HydrophobicContact CE2-CE2 4.16Å; Y48-F163 AromaticContact CE2-CZ 3.73Å; Y48-F163 HydrophobicContact CE2-CZ 3.73Å; Y48-F163 AromaticContact CZ-CE2 3.98Å; Y48-F163 AromaticContact CZ-CZ 3.91Å |
| 49 | Y | 88.8 | Confident | 81.6 | Confident | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 109.5 | -179.9 | 175.2 | -130.5 | 0 | 0 | 0 | 110.3 | F3 F18 V19 F20 H51 F104 I141 L143 | F3-Y49 HydrophobicContact CE1-CE2 4.09Å; F3-Y49 HydrophobicContact CZ-CE2 4.41Å; F3-Y49 AromaticContact CZ-CZ 3.97Å; F3-Y49 WeakPolarHBondContact CZ-OH 3.23Å; F18-Y49 PolarHBondContact O-N 2.92Å; V19-Y49 CarbonylContact C-O 3.4Å; V19-Y49 WeakPolarHBondContact CA-O 3.49Å; V19-Y49 HydrophobicContact CG1-CD1 3.85Å; V19-Y49 HydrophobicContact CG1-CE1 4.46Å; V19-Y49 HydrophobicContact CG2-CD1 4.16Å; F20-Y49 PolarHBondContact N-O 3.19Å; Y49-H51 HydrophobicContact CD1-CB 4.38Å; Y49-H51 HydrophobicContact CE1-CB 3.72Å; Y49-H51 HydrophobicContact CE2-CB 4.31Å; Y49-H51 PolarHBondContact OH-CD2 2.89Å; Y49-F104 HydrophobicContact CD1-CE1 4.5Å; Y49-F104 HydrophobicContact CE1-CE1 4.32Å; Y49-F104 HydrophobicContact CE1-CZ 4.01Å; Y49-I141 HydrophobicContact CD2-CG2 4.22Å; Y49-I141 HydrophobicContact CE2-CG1 4.2Å; Y49-I141 HydrophobicContact CE2-CG2 3.67Å; Y49-L143 HydrophobicContact CD2-CD2 3.27Å; Y49-L143 HydrophobicContact CD2-CG 4.38Å; Y49-L143 HydrophobicContact CE2-CD2 4.15Å; Y49-L143 HydrophobicContact CG-CD2 3.95Å |
| 50 | F | 90 | Very high | 81.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 123.2 | 172.6 | -57.7 | -93.4 | 0 | 0 | 0 | 108.9 | F20 F30 V58 I60 I141 L142 L144 Y167 | F20-F50 HydrophobicContact CB-CD1 3.5Å; F20-F50 HydrophobicContact CB-CE1 3.9Å; F20-F50 HydrophobicContact CB-CG 4.24Å; F20-F50 HydrophobicContact CD1-CE1 4.11Å; F20-F50 AromaticContact CD2-CD1 3.83Å; F20-F50 HydrophobicContact CD2-CD1 3.83Å; F20-F50 AromaticContact CD2-CE1 3.55Å; F20-F50 HydrophobicContact CD2-CE1 3.55Å; F20-F50 HydrophobicContact CD2-CE2 4.36Å; F20-F50 HydrophobicContact CD2-CG 4.33Å; F20-F50 AromaticContact CD2-CZ 3.85Å; F20-F50 HydrophobicContact CD2-CZ 3.85Å; F20-F50 HydrophobicContact CE2-CE1 4.11Å; F20-F50 HydrophobicContact CE2-CZ 4.05Å; F20-F50 AromaticContact CG-CD1 3.72Å; F20-F50 HydrophobicContact CG-CD1 3.72Å; F20-F50 AromaticContact CG-CE1 3.56Å; F20-F50 HydrophobicContact CG-CE1 3.56Å; F20-F50 HydrophobicContact CG-CZ 4.32Å; F20-F50 WeakPolarHBondContact O-CA 3.05Å; F30-F50 HydrophobicContact CB-CE1 4.33Å; F30-F50 HydrophobicContact CB-CZ 3.99Å; F30-F50 HydrophobicContact CD1-CE1 4.21Å; F30-F50 AromaticContact CD1-CZ 3.9Å; F30-F50 HydrophobicContact CD1-CZ 3.9Å; F30-F50 HydrophobicContact CD2-CZ 4.12Å; F30-F50 HydrophobicContact CE1-CZ 4.43Å; F30-F50 HydrophobicContact CG-CE1 4.32Å; F30-F50 AromaticContact CG-CZ 3.74Å; F30-F50 HydrophobicContact CG-CZ 3.74Å; F50-V58 HydrophobicContact CB-CB 4.24Å; F50-V58 HydrophobicContact CB-CG1 3.48Å; F50-V58 VanDerWaalsContact CB-CG1 3.48Å; F50-V58 HydrophobicContact CB-CG2 3.82Å; F50-V58 HydrophobicContact CD1-CG1 4.16Å; F50-V58 HydrophobicContact CG-CG1 3.87Å; F50-I60 HydrophobicContact CD2-CG2 4.48Å; F50-I60 HydrophobicContact CE1-CG2 4.26Å; F50-I60 HydrophobicContact CE2-CG2 4.23Å; F50-I60 HydrophobicContact CZ-CG2 4.11Å; F50-I141 WeakPolarHBondContact O-CA 3.32Å; F50-L142 HydrophobicContact CB-CB 4.19Å; F50-L142 HydrophobicContact CD2-CB 4.43Å; F50-L142 HydrophobicContact CD2-CD2 3.8Å; F50-L142 HydrophobicContact CE2-CD2 4.22Å; F50-L142 PolarHBondContact N-O 2.88Å; F50-L142 PolarHBondContact O-N 2.61Å; F50-L142 VanDerWaalsContact O-N 3.07Å; F50-L144 HydrophobicContact CE2-CD1 3.73Å; F50-L144 HydrophobicContact CE2-CG 4.06Å; F50-L144 HydrophobicContact CZ-CD1 4.34Å; F50-Y167 HydrophobicContact CD1-CD1 4.32Å; F50-Y167 HydrophobicContact CD1-CD2 4.04Å; F50-Y167 AromaticContact CD1-CG 3.8Å; F50-Y167 HydrophobicContact CD1-CG 3.8Å; F50-Y167 AromaticContact CE1-CD1 3.76Å; F50-Y167 HydrophobicContact CE1-CD1 3.76Å; F50-Y167 HydrophobicContact CE1-CD2 4.28Å; F50-Y167 AromaticContact CE1-CG 3.6Å; F50-Y167 HydrophobicContact CE1-CG 3.6Å |
| 51 | H | 82.5 | Confident | 81.5 | Confident | 36 Ų | 36 | 31.1 Ų | 31.1 | 17% | 0.167 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 113.6 | -177.2 | 175.5 | -124.9 | 0 | 0 | 0 | 109.1 | F20 D21 S22 Y49 | F20-H51 PolarHBondContact O-N 2.88Å; D21-H51 WeakPolarHBondContact CA-O 3.46Å; D21-H51 IonicContact OD1-ND1 2.62Å; D21-H51 IonicContact OD2-CE1 3.3Å; D21-H51 IonicContact OD2-ND1 3.9Å; D21-H51 PolarHBondContact OD2-ND1 3.35Å; D21-H51 VanDerWaalsContact OD2-ND1 3.07Å; S22-H51 PolarHBondContact N-O 2.95Å; Y49-H51 HydrophobicContact CD1-CB 4.38Å; Y49-H51 HydrophobicContact CE1-CB 3.72Å; Y49-H51 HydrophobicContact CE2-CB 4.31Å; Y49-H51 PolarHBondContact OH-CD2 2.89Å |
| 52 | G | 79 | Confident | 81.8 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -91.6 | 165.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S22 S140 N169 | S22-G52 VanDerWaalsContact OG-CA 3.3Å; S22-G52 WeakPolarHBondContact OG-CA 2.94Å; G52-S140 PolarHBondContact N-O 3.18Å; G52-S140 WeakPolarHBondContact O-CB 3.39Å; G52-N169 WeakPolarHBondContact CA-ND2 3.31Å | ||
| 53 | L | 70.1 | Confident | 81.9 | Confident | 71 Ų | 71 | 27.2 Ų | 27.2 | 37% | 0.372 | 15% | 0.15 | S | C | . | . | trans | -60 | 160 | 162.5 | -66.5 | 171.8 | 0 | 0 | 0 | 110.2 | S22 T23 N55 E56 S140 | S22-L53 PolarHBondContact OG-N 2.86Å; S22-L53 VanDerWaalsContact OG-N 3.16Å; T23-L53 HydrophobicContact CG2-CD2 3.64Å; T23-L53 HydrophobicContact CG2-CG 4.33Å; L53-N55 WeakPolarHBondContact CB-OD1 3.4Å; L53-N55 PolarHBondContact O-N 3.17Å; L53-E56 HydrophobicContact CB-CG 4.08Å; L53-E56 PolarHBondContact N-OE2 2.84Å; L53-E56 PolarHBondContact O-N 3.18Å; L53-S140 WeakPolarHBondContact O-CB 3.37Å | ||
| 54 | S | 65.7 | Low | 82.1 | Confident | 61 Ų | 61 | 27.9 Ų | 27.9 | 43% | 0.427 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -22.5 | -177.2 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | E175 | S54-E175 PolarHBondContact OG-OE1 3.18Š|
| 55 | N | 59.9 | Low | 82.7 | Confident | 61 Ų | 61 | 22.9 Ų | 22.9 | 33% | 0.326 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | 24.2 | -179.8 | 72.3 | -43.8 | 0 | 0 | 0 | 113.9 | L53 K172 | L53-N55 WeakPolarHBondContact CB-OD1 3.4Å; L53-N55 PolarHBondContact O-N 3.17Å; N55-K172 HydrophobicContact CB-CB 4.24Å; N55-K172 HydrophobicContact CB-CD 3.79Å; N55-K172 HydrophobicContact CB-CG 3.66Å; N55-K172 WeakPolarHBondContact O-CA 3.42Å; N55-K172 WeakPolarHBondContact O-CB 3.38Å |
| 56 | E | 71.7 | Confident | 83.1 | Confident | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | trans | -125.5 | 150.2 | 179.6 | -69.7 | 179.6 | 156 | 0 | 0 | 110.9 | S22 K26 L53 S140 N169 G171 | S22-E56 WeakPolarHBondContact CB-OE2 3.32Å; S22-E56 PolarHBondContact OG-OE2 2.72Å; K26-E56 IonicContact NZ-OE1 3.87Å; K26-E56 PolarHBondContact NZ-OE1 3.42Å; L53-E56 HydrophobicContact CB-CG 4.08Å; L53-E56 PolarHBondContact N-OE2 2.84Å; L53-E56 PolarHBondContact O-N 3.18Å; E56-S140 WeakPolarHBondContact O-CA 3.02Å; E56-S140 VanDerWaalsContact O-CB 3.32Å; E56-S140 WeakPolarHBondContact O-CB 3.31Å; E56-S140 PolarHBondContact O-N 3.33Å; E56-N169 HydrophobicContact CB-CB 4.25Å; E56-G171 CarbonylContact C-O 3.56Å; E56-G171 WeakPolarHBondContact CA-O 3.47Å | ||
| 57 | L | 75.4 | Confident | 83.4 | Confident | 16 Ų | 16 | 23.9 Ų | 23.9 | 8% | 0.084 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.1 | 166.4 | -49.6 | 173.3 | 0 | 0 | 0 | 110.1 | N169 N170 G171 H173 Y181 | L57-N169 CarbonylContact O-C 3.33Å; L57-N169 WeakPolarHBondContact O-CA 3.4Å; L57-N170 WeakPolarHBondContact CA-O 3.16Å; L57-N170 WeakPolarHBondContact CB-O 3.42Å; L57-N170 WeakPolarHBondContact CG-O 3.45Å; L57-N170 PolarHBondContact N-O 2.95Å; L57-N170 PolarHBondContact O-N 3.15Å; L57-G171 PolarHBondContact N-O 3.48Å; L57-H173 HydrophobicContact CD2-CB 3.93Å; L57-Y181 HydrophobicContact CD1-CD1 3.56Å; L57-Y181 HydrophobicContact CD1-CE1 3.69Å; L57-Y181 HydrophobicContact CD1-CG 4.43Å; L57-Y181 HydrophobicContact CD2-CD1 3.9Å; L57-Y181 HydrophobicContact CD2-CE1 3.54Å; L57-Y181 HydrophobicContact CG-CD1 4.22Å; L57-Y181 HydrophobicContact CG-CE1 4.22Å |
| 58 | V | 83.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 119.6 | 173.3 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | F50 I60 Y136 S137 L142 | F50-V58 HydrophobicContact CB-CB 4.24Å; F50-V58 HydrophobicContact CB-CG1 3.48Å; F50-V58 VanDerWaalsContact CB-CG1 3.48Å; F50-V58 HydrophobicContact CB-CG2 3.82Å; F50-V58 HydrophobicContact CD1-CG1 4.16Å; F50-V58 HydrophobicContact CG-CG1 3.87Å; V58-I60 HydrophobicContact CG1-CG2 4.16Å; V58-Y136 CarbonylContact O-C 3.41Å; V58-Y136 WeakPolarHBondContact O-CA 3.33Å; V58-S137 WeakPolarHBondContact CB-OG 3.47Å; V58-S137 PolarHBondContact N-OG 3.31Å; V58-S137 PolarHBondContact O-N 3.49Å; V58-S137 PolarHBondContact O-OG 3.13Å; V58-L142 HydrophobicContact CB-CB 3.83Å; V58-L142 HydrophobicContact CB-CD1 4.43Å; V58-L142 HydrophobicContact CG1-CB 3.91Å; V58-L142 HydrophobicContact CG1-CD1 4.29Å; V58-L142 HydrophobicContact CG2-CB 4.21Å |
| 59 | K | 82.4 | Confident | 83.3 | Confident | 32 Ų | 32 | 29.2 Ų | 29.2 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 136.4 | 162.1 | 175.6 | -176 | 177.2 | 171.5 | 0 | 108.8 | T61 N134 F135 Y136 Y167 Q168 | K59-T61 WeakPolarHBondContact CE-OG1 3.46Å; K59-N134 WeakPolarHBondContact CE-OD1 3.3Å; K59-N134 PolarHBondContact NZ-OD1 3.36Å; K59-F135 CarbonylContact C-O 3.42Å; K59-F135 WeakPolarHBondContact CA-O 3.37Å; K59-Y136 HydrophobicContact CB-CD1 3.71Å; K59-Y136 HydrophobicContact CB-CE1 3.61Å; K59-Y136 HydrophobicContact CD-CD1 4.4Å; K59-Y136 HydrophobicContact CD-CE1 3.46Å; K59-Y136 VanDerWaalsContact CD-CE1 3.46Å; K59-Y136 WeakPolarHBondContact CD-OH 2.97Å; K59-Y136 WeakPolarHBondContact CE-OH 3.44Å; K59-Y136 HydrophobicContact CG-CD1 3.88Å; K59-Y136 HydrophobicContact CG-CE1 3.39Å; K59-Y136 HydrophobicContact CG-CE2 4.3Å; K59-Y136 PolarHBondContact NZ-OH 3.05Å; K59-Y167 CarbonylContact O-C 3.57Å; K59-Y167 WeakPolarHBondContact O-CA 3.16Å; K59-Q168 HydrophobicContact CB-CB 4.49Å; K59-Q168 WeakPolarHBondContact CB-O 3.47Å; K59-Q168 PolarHBondContact N-O 3Å; K59-Q168 PolarHBondContact O-N 2.8Å |
| 60 | I | 89.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 149.6 | 162.1 | 65.4 | 169.8 | 0 | 0 | 0 | 110.7 | F30 F50 V58 F62 M81 N134 F135 L142 L144 N166 | F30-I60 HydrophobicContact CE1-CB 3.86Å; F30-I60 HydrophobicContact CE1-CG2 4.04Å; F30-I60 HydrophobicContact CZ-CB 4.05Å; F30-I60 HydrophobicContact CZ-CD1 4.19Å; F30-I60 HydrophobicContact CZ-CG2 4.4Å; F50-I60 HydrophobicContact CD2-CG2 4.48Å; F50-I60 HydrophobicContact CE1-CG2 4.26Å; F50-I60 HydrophobicContact CE2-CG2 4.23Å; F50-I60 HydrophobicContact CZ-CG2 4.11Å; V58-I60 HydrophobicContact CG1-CG2 4.16Å; I60-F62 HydrophobicContact CD1-CE2 4.07Å; I60-F62 HydrophobicContact CD1-CZ 4.12Å; I60-M81 HydrophobicContact CD1-SD 3.68Å; I60-M81 HydrophobicContact CG1-SD 4.47Å; I60-N134 CarbonylContact O-C 3.59Å; I60-N134 WeakPolarHBondContact O-CA 3.4Å; I60-F135 HydrophobicContact CD1-CB 4.37Å; I60-F135 HydrophobicContact CG1-CB 3.85Å; I60-F135 PolarHBondContact N-O 2.65Å; I60-F135 PolarHBondContact O-N 3.49Å; I60-L142 HydrophobicContact CD1-CD1 4.43Å; I60-L142 HydrophobicContact CD1-CD2 4.05Å; I60-L142 HydrophobicContact CG1-CD1 4.26Å; I60-L142 HydrophobicContact CG2-CD1 4.39Å; I60-L142 HydrophobicContact CG2-CD2 4.33Å; I60-L144 HydrophobicContact CD1-CD1 3.99Å; I60-L144 HydrophobicContact CD1-CD2 3.87Å; I60-L144 HydrophobicContact CD1-CG 4.44Å; I60-N166 CarbonylContact C-O 3.53Å; I60-N166 VanDerWaalsContact CA-O 3.3Å; I60-N166 WeakPolarHBondContact CA-O 3.38Å |
| 61 | T | 85.6 | Confident | 83.2 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 17% | 0.172 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 118.1 | 177.5 | -54.1 | 0 | 0 | 0 | 0 | 109.3 | K59 N133 N134 G165 N166 | K59-T61 WeakPolarHBondContact CE-OG1 3.46Å; T61-N133 CarbonylContact C-O 3.45Å; T61-N133 VanDerWaalsContact CA-O 3.26Å; T61-N133 WeakPolarHBondContact CA-O 3.17Å; T61-N134 WeakPolarHBondContact CB-OD1 3.24Å; T61-N134 WeakPolarHBondContact CG2-OD1 3.25Å; T61-N134 PolarHBondContact OG1-OD1 2.82Å; T61-G165 CarbonylContact O-C 3.56Å; T61-G165 WeakPolarHBondContact O-CA 3.27Å; T61-N166 PolarHBondContact N-O 3.35Å; T61-N166 PolarHBondContact O-N 3.43Å |
| 62 | F | 91.4 | Very high | 83.4 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.8 | 172.3 | -67.8 | -74.7 | 0 | 0 | 0 | 110.3 | F30 I60 F65 L79 L123 L127 N133 F135 F163 | F30-F62 HydrophobicContact CE2-CD1 4.34Å; F30-F62 AromaticContact CE2-CE1 3.67Å; F30-F62 HydrophobicContact CE2-CE1 3.67Å; F30-F62 HydrophobicContact CE2-CZ 4.24Å; F30-F62 HydrophobicContact CZ-CD1 4.09Å; F30-F62 AromaticContact CZ-CE1 3.71Å; F30-F62 HydrophobicContact CZ-CE1 3.71Å; F30-F62 HydrophobicContact CZ-CZ 4.14Å; I60-F62 HydrophobicContact CD1-CE2 4.07Å; I60-F62 HydrophobicContact CD1-CZ 4.12Å; F62-F65 AromaticContact CD1-CD2 3.75Å; F62-F65 HydrophobicContact CD1-CD2 3.75Å; F62-F65 HydrophobicContact CD1-CE2 4.45Å; F62-F65 AromaticContact CE1-CD2 3.84Å; F62-F65 HydrophobicContact CE1-CD2 3.84Å; F62-F65 HydrophobicContact CE1-CE2 4.09Å; F62-F65 HydrophobicContact CG-CD2 4.11Å; F62-F65 HydrophobicContact CZ-CD2 4.3Å; F62-F65 HydrophobicContact CZ-CE2 4.25Å; F62-L79 HydrophobicContact CE1-CD2 3.91Å; F62-L79 HydrophobicContact CZ-CD2 3.53Å; F62-L123 HydrophobicContact CE2-CD1 3.83Å; F62-L123 HydrophobicContact CZ-CD1 4.3Å; F62-L127 HydrophobicContact CB-CD1 3.72Å; F62-N133 PolarHBondContact N-O 3.47Å; F62-F135 AromaticContact CD2-CD2 3.96Å; F62-F135 HydrophobicContact CD2-CD2 3.96Å; F62-F135 AromaticContact CD2-CE2 3.76Å; F62-F135 HydrophobicContact CD2-CE2 3.76Å; F62-F135 AromaticContact CE2-CD2 3.87Å; F62-F135 HydrophobicContact CE2-CD2 3.87Å; F62-F135 AromaticContact CE2-CE2 3.85Å; F62-F135 HydrophobicContact CE2-CE2 3.85Å; F62-F163 HydrophobicContact CD1-CB 4.07Å; F62-F163 HydrophobicContact CE1-CB 4.07Å; F62-F163 AromaticContact CE1-CD2 3.94Å; F62-F163 HydrophobicContact CE1-CD2 3.94Å; F62-F163 HydrophobicContact CE1-CG 4.07Å |
| 63 | T | 88.4 | Confident | 83.7 | Confident | 69 Ų | 69 | 51.4 Ų | 51.4 | 42% | 0.423 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -36.8 | 172.2 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | L127 I164 | T63-L127 WeakPolarHBondContact O-CD2 3.29Å; T63-I164 PolarHBondContact N-O 2.68Å; T63-I164 WeakPolarHBondContact OG1-CG2 3.26Å; T63-I164 PolarHBondContact OG1-O 3.44Å; T63-I164 VanDerWaalsContact OG1-O 3.05Å |
| 64 | T | 90.5 | Very high | 84.6 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138.8 | 171.1 | -49.2 | 0 | 0 | 0 | 0 | 108.7 | Y35 F163 I164 | Y35-T64 PolarHBondContact OH-OG1 3.12Å; T64-F163 VanDerWaalsContact O-CA 3.26Å; T64-F163 WeakPolarHBondContact O-CA 3.37Å; T64-I164 PolarHBondContact N-O 3.22Å; T64-I164 PolarHBondContact O-N 3.48Å |
| 65 | F | 93.6 | Very high | 85.8 | Confident | 5 Ų | 5 | 54 Ų | 54 | 2% | 0.022 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 118.7 | 172.3 | -164.1 | -75.7 | 0 | 0 | 0 | 108.7 | F62 L67 L79 L123 G125 D126 L127 F130 F163 | F62-F65 AromaticContact CD1-CD2 3.75Å; F62-F65 HydrophobicContact CD1-CD2 3.75Å; F62-F65 HydrophobicContact CD1-CE2 4.45Å; F62-F65 AromaticContact CE1-CD2 3.84Å; F62-F65 HydrophobicContact CE1-CD2 3.84Å; F62-F65 HydrophobicContact CE1-CE2 4.09Å; F62-F65 HydrophobicContact CG-CD2 4.11Å; F62-F65 HydrophobicContact CZ-CD2 4.3Å; F62-F65 HydrophobicContact CZ-CE2 4.25Å; F65-L67 HydrophobicContact CD1-CG 4.27Å; F65-L67 HydrophobicContact CE1-CB 3.93Å; F65-L67 HydrophobicContact CE1-CD1 3.59Å; F65-L67 HydrophobicContact CE1-CG 3.51Å; F65-L67 HydrophobicContact CE2-CD1 4.38Å; F65-L67 HydrophobicContact CZ-CD1 3.39Å; F65-L67 HydrophobicContact CZ-CG 3.78Å; F65-L79 HydrophobicContact CE2-CB 4.33Å; F65-L79 HydrophobicContact CE2-CD2 3.93Å; F65-L79 HydrophobicContact CZ-CB 4.25Å; F65-L123 HydrophobicContact CE1-CB 4.47Å; F65-L123 HydrophobicContact CE2-CB 4.12Å; F65-L123 HydrophobicContact CE2-CD1 4.41Å; F65-L123 HydrophobicContact CZ-CB 3.7Å; F65-G125 WeakPolarHBondContact CD1-O 3.37Å; F65-D126 CarbonylContact O-C 3.58Å; F65-D126 WeakPolarHBondContact O-CA 2.78Å; F65-L127 HydrophobicContact CB-CB 3.88Å; F65-L127 HydrophobicContact CB-CD1 3.94Å; F65-L127 HydrophobicContact CB-CG 4.45Å; F65-L127 PolarHBondContact O-N 2.8Å; F65-F130 HydrophobicContact CB-CE2 4.17Å; F65-F130 HydrophobicContact CD1-CE1 4.45Å; F65-F130 AromaticContact CD1-CE2 3.87Å; F65-F130 HydrophobicContact CD1-CE2 3.87Å; F65-F130 AromaticContact CD1-CZ 3.45Å; F65-F130 HydrophobicContact CD1-CZ 3.45Å; F65-F130 VanDerWaalsContact CD1-CZ 3.45Å; F65-F130 AromaticContact CD2-CE2 3.78Å; F65-F130 HydrophobicContact CD2-CE2 3.78Å; F65-F130 HydrophobicContact CD2-CZ 4.08Å; F65-F130 HydrophobicContact CE1-CE1 4.44Å; F65-F130 HydrophobicContact CE1-CE2 4.17Å; F65-F130 AromaticContact CE1-CZ 3.47Å; F65-F130 HydrophobicContact CE1-CZ 3.47Å; F65-F130 VanDerWaalsContact CE1-CZ 3.47Å; F65-F130 HydrophobicContact CE2-CE2 4.07Å; F65-F130 HydrophobicContact CE2-CZ 4.08Å; F65-F130 AromaticContact CG-CE2 3.67Å; F65-F130 HydrophobicContact CG-CE2 3.67Å; F65-F130 AromaticContact CG-CZ 3.77Å; F65-F130 HydrophobicContact CG-CZ 3.77Å; F65-F130 HydrophobicContact CZ-CE2 4.25Å; F65-F130 AromaticContact CZ-CZ 3.78Å; F65-F130 HydrophobicContact CZ-CZ 3.78Å; F65-F163 HydrophobicContact CD2-CB 3.64Å; F65-F163 HydrophobicContact CD2-CG 4.35Å; F65-F163 HydrophobicContact CE2-CB 4.12Å; F65-F163 HydrophobicContact CE2-CD1 4.19Å; F65-F163 HydrophobicContact CE2-CG 4.37Å; F65-F163 HydrophobicContact CG-CB 4.25Å |
| 66 | N | 91.2 | Very high | 87.2 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 91.6 | 179.1 | -173.6 | -79.1 | 0 | 0 | 0 | 109.2 | G125 D126 Q159 Q160 G162 | N66-G125 WeakPolarHBondContact CA-O 2.7Å; N66-D126 PolarHBondContact ND2-OD1 2.69Å; N66-Q159 PolarHBondContact OD1-O 2.94Å; N66-Q160 VanDerWaalsContact OD1-CA 3.27Å; N66-Q160 WeakPolarHBondContact OD1-CA 3.18Å; N66-G162 PolarHBondContact N-O 3.05Å; N66-G162 WeakPolarHBondContact O-CA 3.43Å; N66-G162 PolarHBondContact O-N 3.27Å |
| 67 | L | 92.5 | Very high | 88.2 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | trans | -109.7 | 167.8 | 170.9 | -63.8 | -173.6 | 0 | 0 | 0 | 110 | Y39 F65 K69 G125 F146 | Y39-L67 HydrophobicContact CD1-CD2 3.88Å; Y39-L67 HydrophobicContact CE1-CD2 3.56Å; F65-L67 HydrophobicContact CD1-CG 4.27Å; F65-L67 HydrophobicContact CE1-CB 3.93Å; F65-L67 HydrophobicContact CE1-CD1 3.59Å; F65-L67 HydrophobicContact CE1-CG 3.51Å; F65-L67 HydrophobicContact CE2-CD1 4.38Å; F65-L67 HydrophobicContact CZ-CD1 3.39Å; F65-L67 HydrophobicContact CZ-CG 3.78Å; L67-K69 PolarHBondContact O-N 3.38Å; L67-G125 PolarHBondContact N-O 2.76Å; L67-G125 WeakPolarHBondContact O-CA 3.04Å; L67-F146 HydrophobicContact CD1-CD2 4.38Å; L67-F146 HydrophobicContact CD1-CE2 3.77Å; L67-F146 HydrophobicContact CD2-CE2 3.55Å; L67-F146 HydrophobicContact CD2-CZ 3.77Å; L67-F146 HydrophobicContact CG-CE2 4.34Å | ||
| 68 | R | 89.7 | Confident | 89.1 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 5% | 0.045 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 129.9 | 172.4 | -166.1 | -175.6 | -48 | -172.2 | 7.5 | 111 | Y39 D77 G125 A149 S150 | Y39-R68 PolarHBondContact OH-N 3.25Å; Y39-R68 VanDerWaalsContact OH-N 3.11Å; R68-D77 HydrophobicContact CB-CB 3.97Å; R68-D77 WeakPolarHBondContact CB-OD2 3.26Å; R68-D77 IonicContact CZ-OD1 3.26Å; R68-D77 IonicContact CZ-OD2 3.92Å; R68-D77 IonicContact NE-OD1 2.78Å; R68-D77 IonicContact NE-OD2 3.89Å; R68-D77 PolarHBondContact NE-OD2 2.79Å; R68-D77 IonicContact NH2-OD1 3Å; R68-D77 PolarHBondContact NH2-OD1 2.83Å; R68-D77 IonicContact NH2-OD2 3.07Å; R68-D77 PolarHBondContact NH2-OD2 3.35Å; R68-G125 PolarHBondContact O-N 2.99Å; R68-A149 PolarHBondContact NH2-O 2.51Å; R68-S150 PolarHBondContact NH1-O 3.1Å; R68-S150 PolarHBondContact NH2-O 2.95Å; R68-S150 VanDerWaalsContact NH2-O 3.16Å |
| 69 | K | 88.4 | Confident | 89.6 | Confident | 118 Ų | 118 | 53.5 Ų | 53.5 | 51% | 0.513 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 148.7 | 174.2 | -67 | -166.5 | -179.2 | -155.7 | 0 | 110.7 | L67 D126 | L67-K69 PolarHBondContact O-N 3.38Å; K69-D126 WeakPolarHBondContact CE-OD2 3.43Å; K69-D126 IonicContact NZ-OD2 3.79Å; K69-D126 PolarHBondContact NZ-OD2 3.41Å |
| 70 | P | 89.2 | Confident | 90.1 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 141.7 | 179.2 | 26 | -33.1 | 0 | 0 | 0 | 111.2 | K74 | P70-K74 CarbonylContact C-O 3.44Å; P70-K74 WeakPolarHBondContact CA-O 3.2Å; P70-K74 WeakPolarHBondContact CB-O 3.25Å |
| 71 | I | 86.1 | Confident | 90.1 | Very high | 75 Ų | 75 | 52.4 Ų | 52.4 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -103.4 | 127.7 | 171.8 | -56.8 | -171.1 | 0 | 0 | 0 | 106.8 | K73 K74 I76 I152 | I71-K73 PolarHBondContact O-N 2.92Å; I71-K74 PolarHBondContact N-O 3.36Å; I71-K74 WeakPolarHBondContact O-CB 3.48Å; I71-K74 PolarHBondContact O-N 2.84Å; I71-I76 HydrophobicContact CB-CD1 3.98Å; I71-I76 HydrophobicContact CD1-CD1 3.42Å; I71-I76 VanDerWaalsContact CD1-CD1 3.42Å; I71-I76 HydrophobicContact CG1-CD1 3.65Å; I71-I152 HydrophobicContact CD1-CD1 3.67Å |
| 72 | E | 87.6 | Confident | 90.3 | Very high | 171 Ų | 171 | 51.2 Ų | 51.2 | 80% | 0.799 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 42.4 | -177.5 | -62.5 | 175.9 | -177.9 | 0 | 0 | 113 | K74 | E72-K74 PolarHBondContact O-N 2.95Š|
| 73 | K | 85.2 | Confident | 89.8 | Confident | 206 Ų | 206 | 51.3 Ų | 51.3 | 90% | 0.896 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 13.4 | -176.4 | -52.9 | 179.8 | 177.9 | 179.7 | 0 | 115 | I71 | I71-K73 PolarHBondContact O-N 2.92Š|
| 74 | K | 88.9 | Confident | 89.1 | Confident | 150 Ų | 150 | 48.2 Ų | 48.2 | 65% | 0.652 | 23% | 0.233 | S | C | * | . | B | Isolated β-bridge | trans | -107.6 | 125.2 | 175 | -66.1 | 178.8 | -178.9 | 171.9 | 0 | 110.7 | P70 I71 E72 I76 | P70-K74 CarbonylContact C-O 3.44Å; P70-K74 WeakPolarHBondContact CA-O 3.2Å; P70-K74 WeakPolarHBondContact CB-O 3.25Å; I71-K74 PolarHBondContact N-O 3.36Å; I71-K74 WeakPolarHBondContact O-CB 3.48Å; I71-K74 PolarHBondContact O-N 2.84Å; E72-K74 PolarHBondContact O-N 2.95Å; K74-I76 PolarHBondContact O-N 2.88Å |
| 75 | C | 91 | Very high | 88.3 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | trans | -71.4 | 121.5 | 170.7 | -61.7 | 0 | 0 | 0 | 0 | 110 | Y78 R122 C124 | C75-Y78 HydrophobicContact CB-CD1 4.41Å; C75-R122 HydrophobicContact CB-CG 4.41Å; C75-C124 HydrophobicContact CB-CB 3.51Å; C75-C124 WeakPolarHBondContact CB-SG 3.45Å; C75-C124 WeakPolarHBondContact SG-CB 3.31Å; C75-C124 CovalentContact SG-SG 2.04Å; C75-C124 PolarHBondContact SG-SG 2.84Å | ||
| 76 | I | 90.6 | Very high | 86.7 | Confident | 49 Ų | 49 | 50 Ų | 50 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -88.4 | -53.9 | 176.5 | -63 | 178.8 | 0 | 0 | 0 | 110 | I71 K74 Y78 H147 A149 I152 | I71-I76 HydrophobicContact CB-CD1 3.98Å; I71-I76 HydrophobicContact CD1-CD1 3.42Å; I71-I76 VanDerWaalsContact CD1-CD1 3.42Å; I71-I76 HydrophobicContact CG1-CD1 3.65Å; K74-I76 PolarHBondContact O-N 2.88Å; I76-Y78 WeakPolarHBondContact O-CD1 3.29Å; I76-H147 PolarHBondContact O-ND1 2.96Å; I76-A149 HydrophobicContact CG2-CB 3.41Å; I76-A149 VanDerWaalsContact CG2-CB 3.41Å; I76-I152 HydrophobicContact CD1-CD1 4.28Å |
| 77 | D | 92.4 | Very high | 85 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -96 | 129.6 | 167.4 | -58.2 | -19.2 | 0 | 0 | 0 | 106.8 | Y39 R68 C124 H147 T148 A149 | Y39-D77 WeakPolarHBondContact CE2-OD2 2.83Å; Y39-D77 PolarHBondContact OH-OD2 2.77Å; R68-D77 HydrophobicContact CB-CB 3.97Å; R68-D77 WeakPolarHBondContact CB-OD2 3.26Å; R68-D77 IonicContact CZ-OD1 3.26Å; R68-D77 IonicContact CZ-OD2 3.92Å; R68-D77 IonicContact NE-OD1 2.78Å; R68-D77 IonicContact NE-OD2 3.89Å; R68-D77 PolarHBondContact NE-OD2 2.79Å; R68-D77 IonicContact NH2-OD1 3Å; R68-D77 PolarHBondContact NH2-OD1 2.83Å; R68-D77 IonicContact NH2-OD2 3.07Å; R68-D77 PolarHBondContact NH2-OD2 3.35Å; D77-C124 WeakPolarHBondContact O-CB 3.29Å; D77-H147 WeakPolarHBondContact CA-O 3.42Å; D77-T148 HydrophobicContact CB-CG2 4.4Å; D77-T148 WeakPolarHBondContact OD1-CA 3.07Å; D77-A149 PolarHBondContact OD1-N 2.79Å |
| 78 | Y | 93.7 | Very high | 82.8 | Confident | 27 Ų | 27 | 55.8 Ų | 55.8 | 11% | 0.106 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 156.9 | -174.7 | 57.2 | -93.1 | 0 | 0 | 0 | 113 | K9 C75 I76 D80 R122 L123 F146 H147 | K9-Y78 PolarHBondContact NZ-OH 3.07Å; C75-Y78 HydrophobicContact CB-CD1 4.41Å; I76-Y78 WeakPolarHBondContact O-CD1 3.29Å; Y78-D80 HydrophobicContact CD2-CB 4.48Å; Y78-D80 VanDerWaalsContact CD2-OD1 3.26Å; Y78-D80 WeakPolarHBondContact CD2-OD1 3.25Å; Y78-D80 WeakPolarHBondContact CE2-OD2 3.42Å; Y78-R122 HydrophobicContact CD2-CG 4.27Å; Y78-R122 HydrophobicContact CG-CG 4.17Å; Y78-L123 CarbonylContact C-O 3.5Å; Y78-L123 VanDerWaalsContact CA-O 3.24Å; Y78-L123 WeakPolarHBondContact CA-O 3.42Å; Y78-F146 WeakPolarHBondContact O-CD2 2.95Å; Y78-H147 HydrophobicContact CD1-CB 4.47Å; Y78-H147 AromaticContact CD1-ND1 3.87Å; Y78-H147 HydrophobicContact CD2-CB 4.15Å; Y78-H147 HydrophobicContact CE1-CB 4.09Å; Y78-H147 AromaticContact CE1-CE1 3.96Å; Y78-H147 AromaticContact CE1-CG 3.82Å; Y78-H147 AromaticContact CE1-ND1 3.21Å; Y78-H147 WeakPolarHBondContact CE1-ND1 3.19Å; Y78-H147 HydrophobicContact CE2-CB 3.73Å; Y78-H147 HydrophobicContact CG-CB 4.49Å; Y78-H147 AromaticContact CZ-CG 3.65Å; Y78-H147 AromaticContact CZ-ND1 3.53Å; Y78-H147 PolarHBondContact N-O 2.86Å; Y78-H147 PolarHBondContact O-N 2.76Å |
| 79 | L | 94.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 110 | 168.4 | -172.3 | 68.8 | 0 | 0 | 0 | 108.3 | F62 F65 L123 L144 F146 F163 | F62-L79 HydrophobicContact CE1-CD2 3.91Å; F62-L79 HydrophobicContact CZ-CD2 3.53Å; F65-L79 HydrophobicContact CE2-CB 4.33Å; F65-L79 HydrophobicContact CE2-CD2 3.93Å; F65-L79 HydrophobicContact CZ-CB 4.25Å; L79-L123 HydrophobicContact CB-CB 4.38Å; L79-L123 PolarHBondContact N-O 3.48Å; L79-L123 PolarHBondContact O-N 3.08Å; L79-L144 HydrophobicContact CD1-CB 3.86Å; L79-L144 HydrophobicContact CD2-CD1 4.32Å; L79-L144 HydrophobicContact CD2-CD2 4.48Å; L79-L144 HydrophobicContact CG-CB 4.3Å; L79-F146 HydrophobicContact CD1-CB 3.68Å; L79-F146 HydrophobicContact CD1-CD2 4.26Å; L79-F146 HydrophobicContact CD1-CG 4.36Å; L79-F163 HydrophobicContact CD1-CE1 3.75Å; L79-F163 HydrophobicContact CD1-CZ 3.75Å; L79-F163 HydrophobicContact CD2-CD1 4.17Å; L79-F163 HydrophobicContact CD2-CE1 3.94Å; L79-F163 HydrophobicContact CD2-CE2 4.45Å; L79-F163 HydrophobicContact CD2-CZ 4.1Å; L79-F163 HydrophobicContact CG-CE1 4.33Å |
| 80 | D | 92.5 | Very high | 77.6 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.2 | 171.3 | -81.3 | -6.9 | 0 | 0 | 0 | 109.1 | Y78 F82 A119 Y121 R122 L144 I145 | Y78-D80 HydrophobicContact CD2-CB 4.48Å; Y78-D80 VanDerWaalsContact CD2-OD1 3.26Å; Y78-D80 WeakPolarHBondContact CD2-OD1 3.25Å; Y78-D80 WeakPolarHBondContact CE2-OD2 3.42Å; D80-F82 HydrophobicContact CB-CE2 4.09Å; D80-A119 HydrophobicContact CB-CB 3.63Å; D80-Y121 CarbonylContact C-O 3.54Å; D80-Y121 WeakPolarHBondContact CA-O 3.33Å; D80-R122 WeakPolarHBondContact OD1-CB 3.14Å; D80-R122 WeakPolarHBondContact OD1-CG 3.47Å; D80-R122 IonicContact OD1-CZ 3.06Å; D80-R122 IonicContact OD1-NE 3.94Å; D80-R122 PolarHBondContact OD1-NE 3.49Å; D80-R122 IonicContact OD1-NH2 3.65Å; D80-R122 PolarHBondContact OD1-NH2 3.34Å; D80-R122 IonicContact OD2-CZ 3.36Å; D80-R122 IonicContact OD2-NE 2.85Å; D80-R122 IonicContact OD2-NH2 3.22Å; D80-R122 PolarHBondContact OD2-NH2 2.78Å; D80-L144 CarbonylContact O-C 3.58Å; D80-L144 VanDerWaalsContact O-CA 3.29Å; D80-L144 WeakPolarHBondContact O-CA 3.35Å; D80-I145 HydrophobicContact CB-CB 4.25Å; D80-I145 PolarHBondContact N-O 3.26Å; D80-I145 PolarHBondContact O-N 2.78Å |
| 81 | M | 90.6 | Very high | 74.8 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.1 | -179.2 | 174.4 | 165.9 | 63.2 | 0 | 0 | 110.8 | I60 T83 D120 Y121 L123 F135 L142 L143 L144 | I60-M81 HydrophobicContact CD1-SD 3.68Å; I60-M81 HydrophobicContact CG1-SD 4.47Å; M81-T83 HydrophobicContact CE-CG2 4.29Å; M81-T83 HydrophobicContact CG-CG2 3.84Å; M81-T83 HydrophobicContact SD-CG2 3.96Å; M81-D120 WeakPolarHBondContact O-CB 3.48Å; M81-D120 PolarHBondContact O-N 3.46Å; M81-Y121 HydrophobicContact CB-CD2 4.47Å; M81-Y121 HydrophobicContact CE-CD2 3.2Å; M81-Y121 HydrophobicContact CE-CE2 3.86Å; M81-Y121 HydrophobicContact CE-CG 3.63Å; M81-Y121 HydrophobicContact CG-CD2 4.31Å; M81-Y121 PolarHBondContact N-O 3.28Å; M81-Y121 PolarHBondContact O-N 3.06Å; M81-L123 HydrophobicContact CE-CD1 4.47Å; M81-F135 HydrophobicContact CE-CB 3.58Å; M81-F135 HydrophobicContact CE-CD1 3.14Å; M81-F135 HydrophobicContact CE-CD2 3.89Å; M81-F135 HydrophobicContact CE-CE1 3.67Å; M81-F135 HydrophobicContact CE-CE2 4.35Å; M81-F135 HydrophobicContact CE-CG 3.25Å; M81-F135 HydrophobicContact CE-CZ 4.24Å; M81-F135 HydrophobicContact SD-CB 3.76Å; M81-F135 HydrophobicContact SD-CD1 4.43Å; M81-F135 HydrophobicContact SD-CG 4.01Å; M81-L142 HydrophobicContact CG-CD2 4.42Å; M81-L142 HydrophobicContact SD-CD2 4.43Å; M81-L143 WeakPolarHBondContact CA-O 3.41Å; M81-L144 HydrophobicContact CB-CD2 3.6Å; M81-L144 HydrophobicContact CG-CD2 3.49Å; M81-L144 VanDerWaalsContact CG-CD2 3.49Å; M81-L144 HydrophobicContact SD-CD2 3.66Å |
| 82 | F | 88.1 | Confident | 72 | Confident | 3 Ų | 3 | 71.6 Ų | 71.6 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 99.5 | 177.1 | -55.2 | -98.2 | 0 | 0 | 0 | 107.7 | I5 D80 I85 A119 L143 I145 | I5-F82 HydrophobicContact CG2-CD1 4.43Å; D80-F82 HydrophobicContact CB-CE2 4.09Å; F82-I85 HydrophobicContact CB-CD1 3.76Å; F82-I85 HydrophobicContact CB-CG1 4.08Å; F82-A119 HydrophobicContact CE1-CB 4.08Å; F82-A119 HydrophobicContact CE2-CB 4.18Å; F82-A119 HydrophobicContact CZ-CB 3.83Å; F82-L143 HydrophobicContact CB-CB 4.19Å; F82-L143 HydrophobicContact CD2-CB 4.22Å; F82-L143 PolarHBondContact N-O 2.78Å; F82-L143 PolarHBondContact O-N 3.16Å; F82-I145 HydrophobicContact CD2-CD1 4.35Å; F82-I145 HydrophobicContact CD2-CG1 4.44Å; F82-I145 HydrophobicContact CE2-CD1 3.53Å; F82-I145 HydrophobicContact CE2-CG1 3.9Å; F82-I145 HydrophobicContact CZ-CD1 4.18Å |
| 83 | T | 82.3 | Confident | 69 | Low | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | trans | -89.5 | -15.1 | 176.7 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | M81 D120 Y121 Y136 S137 I138 L142 | M81-T83 HydrophobicContact CE-CG2 4.29Å; M81-T83 HydrophobicContact CG-CG2 3.84Å; M81-T83 HydrophobicContact SD-CG2 3.96Å; T83-D120 WeakPolarHBondContact CA-OD2 3.1Å; T83-D120 PolarHBondContact N-OD2 3.42Å; T83-D120 PolarHBondContact OG1-OD2 3.16Å; T83-Y121 HydrophobicContact CG2-CD2 4.35Å; T83-Y121 HydrophobicContact CG2-CE2 4.03Å; T83-Y136 WeakPolarHBondContact CB-O 3.46Å; T83-Y136 WeakPolarHBondContact CG2-O 3.36Å; T83-S137 CarbonylContact O-C 3.53Å; T83-S137 VanDerWaalsContact O-CA 3.27Å; T83-S137 WeakPolarHBondContact O-CA 3.47Å; T83-I138 PolarHBondContact O-N 3.2Å; T83-L142 HydrophobicContact CG2-CD1 4.06Å; T83-L142 HydrophobicContact CG2-CG 4.47Å | ||
| 84 | T | 73.3 | Confident | 66.2 | Low | 4 Ų | 4 | 66.3 Ų | 66.3 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | trans | -117.4 | 56.2 | -168.5 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | R117 D120 I138 Y202 | T84-R117 PolarHBondContact O-NH1 3.14Å; T84-R117 PolarHBondContact O-NH2 2.56Å; T84-R117 PolarHBondContact OG1-NH2 2.59Å; T84-D120 WeakPolarHBondContact CB-OD2 3.42Å; T84-D120 PolarHBondContact N-OD2 3.38Å; T84-D120 PolarHBondContact OG1-OD1 3.33Å; T84-D120 PolarHBondContact OG1-OD2 3.07Å; T84-I138 VanDerWaalsContact CB-CD1 3.43Å; T84-I138 HydrophobicContact CG2-CB 4.31Å; T84-I138 HydrophobicContact CG2-CD1 3.58Å; T84-I138 HydrophobicContact CG2-CG1 3.95Å; T84-I138 HydrophobicContact CG2-CG2 3.55Å; T84-Y202 HydrophobicContact CG2-CD1 3.54Å; T84-Y202 HydrophobicContact CG2-CE1 3.14Å | ||
| 85 | I | 72.3 | Confident | 63.2 | Low | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | trans | -98.6 | 115.4 | 178.3 | -63.7 | 163.1 | 0 | 0 | 0 | 108.2 | I5 F82 S139 I141 L143 | I5-I85 HydrophobicContact CD1-CB 4.31Å; I5-I85 HydrophobicContact CD1-CD1 3.38Å; I5-I85 HydrophobicContact CD1-CG1 3.55Å; I5-I85 HydrophobicContact CD1-CG2 3.77Å; I5-I85 HydrophobicContact CG1-CG1 4.24Å; I5-I85 HydrophobicContact CG1-CG2 4.26Å; F82-I85 HydrophobicContact CB-CD1 3.76Å; F82-I85 HydrophobicContact CB-CG1 4.08Å; I85-S139 VanDerWaalsContact O-CB 3.25Å; I85-S139 WeakPolarHBondContact O-CB 3.45Å; I85-S139 PolarHBondContact O-OG 3.13Å; I85-I141 HydrophobicContact CB-CB 4.28Å; I85-I141 HydrophobicContact CB-CG2 4.04Å; I85-I141 HydrophobicContact CD1-CG2 3.7Å; I85-I141 HydrophobicContact CG1-CG2 4.5Å; I85-I141 HydrophobicContact CG2-CB 4.16Å; I85-I141 HydrophobicContact CG2-CD1 4.31Å; I85-I141 HydrophobicContact CG2-CG2 3.89Å; I85-L143 HydrophobicContact CD1-CB 3.92Å; I85-L143 HydrophobicContact CD1-CD1 3.49Å; I85-L143 VanDerWaalsContact CD1-CD1 3.49Å; I85-L143 HydrophobicContact CD1-CG 3.42Å; I85-L143 VanDerWaalsContact CD1-CG 3.42Å | ||
| 86 | E | 61.3 | Low | 60.1 | Low | 83 Ų | 83 | 73.8 Ų | 73.8 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | trans | -93 | 141.4 | 175.3 | -72.9 | 169.3 | -151.9 | 0 | 0 | 111.1 | N88 L178 | E86-N88 PolarHBondContact O-N 3.45Å; E86-L178 WeakPolarHBondContact OE1-CD1 3.45Å | ||
| 87 | L | 54.9 | Low | 56.8 | Low | 56 Ų | 56 | 80.9 Ų | 80.9 | 29% | 0.293 | 41% | 0.41 | S | S | . | . | trans | -83 | 91.8 | 167 | -74.1 | 166.1 | 0 | 0 | 0 | 107.9 | M1 D89 I141 | M1-L87 HydrophobicContact CG-CD2 4.39Å; M1-L87 HydrophobicContact SD-CD2 4.04Å; L87-D89 PolarHBondContact O-N 3.12Å; L87-I141 HydrophobicContact CD1-CD1 4.41Å; L87-I141 HydrophobicContact CD2-CD1 3.68Å; L87-I141 HydrophobicContact CG-CD1 3.94Å | ||
| 88 | N | 46.5 | Very low | 53.5 | Low | 104 Ų | 104 | 89.3 Ų | 89.3 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | trans | -77.9 | 103.7 | 168 | -83.2 | -6.8 | 0 | 0 | 0 | 109.4 | E86 Q90 | E86-N88 PolarHBondContact O-N 3.45Å; N88-Q90 PolarHBondContact O-N 3.46Å | ||
| 89 | D | 37.9 | Very low | 50.1 | Low | 115 Ų | 115 | 97.1 Ų | 97.1 | 62% | 0.615 | 49% | 0.486 | S | S | * | . | trans | -75.4 | -8.5 | 170.8 | -83.6 | -25.5 | 0 | 0 | 0 | 113.2 | L87 Q91 | L87-D89 PolarHBondContact O-N 3.12Å; D89-Q91 PolarHBondContact O-N 3.11Å | ||
| 90 | Q | 31.6 | Very low | 46.8 | Very low | 173 Ų | 173 | 105 Ų | 105 | 81% | 0.808 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 54.5 | -170.2 | -64.6 | -167 | -12 | 0 | 0 | 115.2 | N88 | N88-Q90 PolarHBondContact O-N 3.46Š|
| 91 | Q | 29.1 | Very low | 43.6 | Very low | 176 Ų | 176 | 108.5 Ų | 108.5 | 82% | 0.822 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143 | 27.6 | 152.7 | -73 | -160.4 | -7.5 | 0 | 0 | 112.8 | D89 | D89-Q91 PolarHBondContact O-N 3.11Š|
| 92 | I | 28.4 | Very low | 40.8 | Very low | 134 Ų | 134 | 114.6 Ų | 114.6 | 69% | 0.687 | 59% | 0.592 | S | S | * | * | trans | -113.1 | 54.3 | 168 | -43.8 | 179.7 | 0 | 0 | 0 | 109.3 | ||||
| 93 | T | 24.4 | Very low | 38 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | trans | -114.9 | 91 | 156.8 | 52.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 94 | N | 26.7 | Very low | 35.6 | Very low | 146 Ų | 146 | 128.8 Ų | 128.8 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 164.8 | 99.7 | 141.9 | -77.8 | -16.2 | 0 | 0 | 0 | 108.2 | E96 | N94-E96 PolarHBondContact O-N 3.48Š|
| 95 | N | 25.4 | Very low | 33.7 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 86% | 0.856 | 67% | 0.674 | S | S | * | * | trans | 36.9 | 83.5 | 149.2 | -61.4 | -15.2 | 0 | 0 | 0 | 116.9 | ||||
| 96 | E | 26.1 | Very low | 31.6 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 71% | 0.706 | S | S | * | * | trans | -165.4 | 115.7 | 138.4 | -106 | 164.9 | -148.4 | 0 | 0 | 108.1 | N94 M98 | N94-E96 PolarHBondContact O-N 3.48Å; E96-M98 VanDerWaalsContact C-N 3.31Å; E96-M98 PolarHBondContact O-N 2.78Å | ||
| 97 | M | 20.8 | Very low | 30.2 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 98% | 0.975 | 71% | 0.707 | S | S | * | * | trans | -62.5 | 87.7 | 178.8 | -70.9 | 170.7 | 62 | 0 | 0 | 110.1 | K99 | M97-K99 PolarHBondContact O-N 2.83Š| ||
| 98 | M | 22.7 | Very low | 29.3 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | trans | -85.2 | 103.1 | 179.4 | -147.6 | 176.9 | -165.7 | 0 | 0 | 110.1 | E96 | E96-M98 VanDerWaalsContact C-N 3.31Å; E96-M98 PolarHBondContact O-N 2.78Å | ||
| 99 | K | 22.6 | Very low | 28.4 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | trans | -52.9 | 138.6 | 171.2 | -76.5 | 174.9 | 175.7 | 174.3 | 0 | 111 | M97 P101 | M97-K99 PolarHBondContact O-N 2.83Å; K99-P101 VanDerWaalsContact O-CD 3.25Å; K99-P101 WeakPolarHBondContact O-CD 3.35Å; K99-P101 VanDerWaalsContact O-N 3.08Å | ||
| 100 | I | 24.5 | Very low | 27.9 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 86% | 0.856 | 72% | 0.718 | S | S | * | * | trans | -49.1 | 109.2 | 172.7 | -56.4 | 165.8 | 0 | 0 | 0 | 108.9 | S102 | I100-S102 PolarHBondContact O-N 2.75Š| ||
| 101 | P | 25.7 | Very low | 27.8 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 53% | 0.532 | 69% | 0.691 | S | S | . | * | trans | -80.3 | 119.3 | -178.2 | 9.6 | 3.4 | 0 | 0 | 0 | 109.4 | K99 K103 | K99-P101 VanDerWaalsContact O-CD 3.25Å; K99-P101 WeakPolarHBondContact O-CD 3.35Å; K99-P101 VanDerWaalsContact O-N 3.08Å; P101-K103 PolarHBondContact O-N 2.78Å | ||
| 102 | S | 31.6 | Very low | 27.7 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 90% | 0.895 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -65.8 | 17.2 | 176.3 | 51.5 | 0 | 0 | 0 | 0 | 115 | I100 | I100-S102 PolarHBondContact O-N 2.75Š|
| 103 | K | 29.3 | Very low | 27.8 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -137.3 | 103 | 170.9 | -80.9 | -175.8 | 175.6 | 177.7 | 0 | 109.2 | P101 G105 | P101-K103 PolarHBondContact O-N 2.78Å; K103-G105 PolarHBondContact O-N 2.77Å |
| 104 | F | 33.2 | Very low | 28.2 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 14.8 | -172 | -157.6 | -101.2 | 0 | 0 | 0 | 116 | Y49 | Y49-F104 HydrophobicContact CD1-CE1 4.5Å; Y49-F104 HydrophobicContact CE1-CE1 4.32Å; Y49-F104 HydrophobicContact CE1-CZ 4.01Å |
| 105 | G | 32 | Very low | 28.6 | Very low | 43 Ų | 43 | 130.1 Ų | 130.1 | 44% | 0.443 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.8 | -6.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | K103 Y109 | K103-G105 PolarHBondContact O-N 2.77Å; G105-Y109 VanDerWaalsContact O-CE2 3.29Å; G105-Y109 WeakPolarHBondContact O-CE2 3.32Å |
| 106 | Q | 28.9 | Very low | 30 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 71% | 0.71 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -102.6 | -0.8 | -167.9 | -70.6 | -175.5 | 2.5 | 0 | 0 | 116 | ||
| 107 | T | 32.5 | Very low | 32 | Very low | 66 Ų | 66 | 121.9 Ų | 121.9 | 41% | 0.405 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -97.2 | 4.1 | 179.9 | 37.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 108 | F | 36 | Very low | 34.6 | Very low | 72 Ų | 72 | 117.3 Ų | 117.3 | 32% | 0.316 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -88.9 | -6.1 | 177.3 | -65.8 | -77.3 | 0 | 0 | 0 | 114.5 | F3 | F3-F108 HydrophobicContact CD2-CD1 4.18Å; F3-F108 AromaticContact CD2-CE1 3.58Å; F3-F108 HydrophobicContact CD2-CE1 3.58Å; F3-F108 HydrophobicContact CD2-CZ 4.1Å; F3-F108 AromaticContact CE2-CE1 3.86Å; F3-F108 HydrophobicContact CE2-CE1 3.86Å; F3-F108 AromaticContact CE2-CZ 3.89Å; F3-F108 HydrophobicContact CE2-CZ 3.89Å; F3-F108 HydrophobicContact CG-CE1 4.18Å |
| 109 | Y | 27.5 | Very low | 37.6 | Very low | 149 Ų | 149 | 110.1 Ų | 110.1 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -81.8 | -19.8 | -164.9 | -71.1 | -75.1 | 0 | 0 | 0 | 116.4 | G105 L111 | G105-Y109 VanDerWaalsContact O-CE2 3.29Å; G105-Y109 WeakPolarHBondContact O-CE2 3.32Å; Y109-L111 PolarHBondContact O-N 2.77Å |
| 110 | N | 26.8 | Very low | 40.4 | Very low | 148 Ų | 148 | 102.8 Ų | 102.8 | 79% | 0.791 | 57% | 0.57 | S | S | * | * | trans | -102 | 34.9 | -168.3 | -76.5 | -4.5 | 0 | 0 | 0 | 115.5 | ||||
| 111 | L | 29.7 | Very low | 43.3 | Very low | 47 Ų | 47 | 96 Ų | 96 | 25% | 0.246 | 53% | 0.534 | C | S | . | . | trans | -112.1 | 43.5 | -178.8 | -122.1 | 84.3 | 0 | 0 | 0 | 114.5 | I2 F3 T4 K6 Y109 | I2-L111 HydrophobicContact CG2-CD1 4.1Å; F3-L111 WeakPolarHBondContact O-CD1 3.05Å; F3-L111 WeakPolarHBondContact O-CD2 3.08Å; T4-L111 HydrophobicContact CG2-CD1 4.44Å; K6-L111 HydrophobicContact CB-CD2 4.42Å; K6-L111 HydrophobicContact CG-CD2 3.53Å; K6-L111 HydrophobicContact CG-CG 4.14Å; Y109-L111 PolarHBondContact O-N 2.77Å | ||
| 112 | S | 27 | Very low | 46.4 | Very low | 103 Ų | 103 | 98.4 Ų | 98.4 | 72% | 0.72 | 53% | 0.533 | S | S | * | . | trans | -81.6 | 117.2 | 170.4 | 57.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 113 | T | 29.6 | Very low | 49.4 | Very low | 100 Ų | 100 | 93 Ų | 93 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 174 | 88.4 | 148.9 | 31.7 | 0 | 0 | 0 | 0 | 110 | K6 S115 | K6-T113 PolarHBondContact NZ-O 2.9Å; K6-T113 PolarHBondContact NZ-OG1 3.1Å; T113-S115 PolarHBondContact O-N 2.75Å |
| 114 | N | 33.6 | Very low | 52.4 | Low | 181 Ų | 181 | 85.8 Ų | 85.8 | 97% | 0.968 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 49.9 | 22.4 | 141.4 | -99.3 | 5.7 | 0 | 0 | 0 | 124.3 | ||
| 115 | S | 34.1 | Very low | 55.2 | Low | 83 Ų | 83 | 79.1 Ų | 79.1 | 58% | 0.58 | 44% | 0.435 | S | S | * | . | trans | -146.1 | 114.5 | 159 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | K6 T113 R117 | K6-S115 WeakPolarHBondContact CB-O 3.05Å; T113-S115 PolarHBondContact O-N 2.75Å; S115-R117 PolarHBondContact O-N 3.47Å | ||
| 116 | S | 56.3 | Low | 57.9 | Low | 88 Ų | 88 | 78.7 Ų | 78.7 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 116.5 | 175.4 | 60.5 | 0 | 0 | 0 | 0 | 109.2 | K6 | K6-S116 WeakPolarHBondContact O-CA 3.29Š|
| 117 | R | 66.9 | Low | 60.8 | Low | 80 Ų | 80 | 72.5 Ų | 72.5 | 30% | 0.302 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 127.7 | 175.6 | 176.8 | -179.9 | 160.4 | 170.8 | -4.2 | 109.4 | K6 T84 S115 D120 | K6-R117 PolarHBondContact O-N 2.92Å; T84-R117 PolarHBondContact O-NH1 3.14Å; T84-R117 PolarHBondContact O-NH2 2.56Å; T84-R117 PolarHBondContact OG1-NH2 2.59Å; S115-R117 PolarHBondContact O-N 3.47Å; R117-D120 IonicContact NH2-OD1 2.85Å; R117-D120 PolarHBondContact NH2-OD1 3.13Å; R117-D120 IonicContact NH2-OD2 3Å |
| 118 | P | 77.1 | Confident | 63.3 | Low | 103 Ų | 103 | 76.8 Ų | 76.8 | 67% | 0.669 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -67 | 152.5 | 174.6 | 28.8 | -33.9 | 0 | 0 | 0 | 111 | ||
| 119 | A | 84.1 | Confident | 65.5 | Low | 24 Ų | 24 | 78.1 Ų | 78.1 | 20% | 0.198 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 146.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | D80 F82 Y121 | D80-A119 HydrophobicContact CB-CB 3.63Å; F82-A119 HydrophobicContact CE1-CB 4.08Å; F82-A119 HydrophobicContact CE2-CB 4.18Å; F82-A119 HydrophobicContact CZ-CB 3.83Å; A119-Y121 WeakPolarHBondContact CB-O 3.01Å; A119-Y121 PolarHBondContact O-N 3.13Å |
| 120 | D | 81.2 | Confident | 68 | Low | 37 Ų | 37 | 72.4 Ų | 72.4 | 20% | 0.198 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -66.5 | -34.5 | 176.9 | -57.2 | -18.1 | 0 | 0 | 0 | 110 | M81 T83 T84 R117 | M81-D120 WeakPolarHBondContact O-CB 3.48Å; M81-D120 PolarHBondContact O-N 3.46Å; T83-D120 WeakPolarHBondContact CA-OD2 3.1Å; T83-D120 PolarHBondContact N-OD2 3.42Å; T83-D120 PolarHBondContact OG1-OD2 3.16Å; T84-D120 WeakPolarHBondContact CB-OD2 3.42Å; T84-D120 PolarHBondContact N-OD2 3.38Å; T84-D120 PolarHBondContact OG1-OD1 3.33Å; T84-D120 PolarHBondContact OG1-OD2 3.07Å; R117-D120 IonicContact NH2-OD1 2.85Å; R117-D120 PolarHBondContact NH2-OD1 3.13Å; R117-D120 IonicContact NH2-OD2 3Å |
| 121 | Y | 87 | Confident | 69.9 | Low | 25 Ų | 25 | 70.5 Ų | 70.5 | 10% | 0.098 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 144.4 | 171.6 | -53.3 | -87.4 | 0 | 0 | 0 | 111 | D80 M81 T83 A119 F135 Y202 Y203 P204 | D80-Y121 CarbonylContact C-O 3.54Å; D80-Y121 WeakPolarHBondContact CA-O 3.33Å; M81-Y121 HydrophobicContact CB-CD2 4.47Å; M81-Y121 HydrophobicContact CE-CD2 3.2Å; M81-Y121 HydrophobicContact CE-CE2 3.86Å; M81-Y121 HydrophobicContact CE-CG 3.63Å; M81-Y121 HydrophobicContact CG-CD2 4.31Å; M81-Y121 PolarHBondContact N-O 3.28Å; M81-Y121 PolarHBondContact O-N 3.06Å; T83-Y121 HydrophobicContact CG2-CD2 4.35Å; T83-Y121 HydrophobicContact CG2-CE2 4.03Å; A119-Y121 WeakPolarHBondContact CB-O 3.01Å; A119-Y121 PolarHBondContact O-N 3.13Å; Y121-F135 HydrophobicContact CD1-CE1 4.3Å; Y121-F135 HydrophobicContact CD2-CD1 4.49Å; Y121-F135 HydrophobicContact CE1-CE1 4.35Å; Y121-F135 HydrophobicContact CE2-CD1 4.31Å; Y121-F135 HydrophobicContact CG-CE1 4.49Å; Y121-Y202 PolarHBondContact OH-O 2.6Å; Y121-Y203 PolarHBondContact OH-O 2.83Å; Y121-P204 WeakPolarHBondContact OH-CD 3.24Å |
| 122 | R | 90.8 | Very high | 72 | Confident | 132 Ų | 132 | 69.5 Ų | 69.5 | 50% | 0.498 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 112.7 | 167.4 | 175 | 164.9 | -71.5 | 169.9 | -0.1 | 108.9 | C75 Y78 D80 | C75-R122 HydrophobicContact CB-CG 4.41Å; Y78-R122 HydrophobicContact CD2-CG 4.27Å; Y78-R122 HydrophobicContact CG-CG 4.17Å; D80-R122 WeakPolarHBondContact OD1-CB 3.14Å; D80-R122 WeakPolarHBondContact OD1-CG 3.47Å; D80-R122 IonicContact OD1-CZ 3.06Å; D80-R122 IonicContact OD1-NE 3.94Å; D80-R122 PolarHBondContact OD1-NE 3.49Å; D80-R122 IonicContact OD1-NH2 3.65Å; D80-R122 PolarHBondContact OD1-NH2 3.34Å; D80-R122 IonicContact OD2-CZ 3.36Å; D80-R122 IonicContact OD2-NE 2.85Å; D80-R122 IonicContact OD2-NH2 3.22Å; D80-R122 PolarHBondContact OD2-NH2 2.78Å |
| 123 | L | 92.8 | Very high | 74.6 | Confident | 15 Ų | 15 | 67.4 Ų | 67.4 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.5 | -172.9 | -55.1 | -178.9 | 0 | 0 | 0 | 111 | F62 F65 Y78 L79 M81 F130 F135 | F62-L123 HydrophobicContact CE2-CD1 3.83Å; F62-L123 HydrophobicContact CZ-CD1 4.3Å; F65-L123 HydrophobicContact CE1-CB 4.47Å; F65-L123 HydrophobicContact CE2-CB 4.12Å; F65-L123 HydrophobicContact CE2-CD1 4.41Å; F65-L123 HydrophobicContact CZ-CB 3.7Å; Y78-L123 CarbonylContact C-O 3.5Å; Y78-L123 VanDerWaalsContact CA-O 3.24Å; Y78-L123 WeakPolarHBondContact CA-O 3.42Å; L79-L123 HydrophobicContact CB-CB 4.38Å; L79-L123 PolarHBondContact N-O 3.48Å; L79-L123 PolarHBondContact O-N 3.08Å; M81-L123 HydrophobicContact CE-CD1 4.47Å; L123-F130 HydrophobicContact CB-CE1 4.35Å; L123-F130 HydrophobicContact CB-CE2 4.23Å; L123-F130 HydrophobicContact CB-CZ 3.72Å; L123-F130 HydrophobicContact CD1-CE2 3.99Å; L123-F130 HydrophobicContact CD1-CZ 4.33Å; L123-F130 HydrophobicContact CD2-CE1 4.35Å; L123-F130 HydrophobicContact CD2-CE2 4.32Å; L123-F130 HydrophobicContact CD2-CZ 4.18Å; L123-F130 HydrophobicContact CG-CE2 4.41Å; L123-F130 HydrophobicContact CG-CZ 4.29Å; L123-F135 HydrophobicContact CD1-CE2 4.25Å; L123-F135 HydrophobicContact CD1-CZ 4.21Å; L123-F135 HydrophobicContact CD2-CZ 4.41Å |
| 124 | C | 93.1 | Very high | 77.1 | Confident | 14 Ų | 14 | 65 Ų | 65 | 10% | 0.095 | 36% | 0.357 | C | S | . | . | trans | -153.3 | 170.3 | 172.7 | 70 | 0 | 0 | 0 | 0 | 110.6 | C75 D77 F130 | C75-C124 HydrophobicContact CB-CB 3.51Å; C75-C124 WeakPolarHBondContact CB-SG 3.45Å; C75-C124 WeakPolarHBondContact SG-CB 3.31Å; C75-C124 CovalentContact SG-SG 2.04Å; C75-C124 PolarHBondContact SG-SG 2.84Å; D77-C124 WeakPolarHBondContact O-CB 3.29Å; C124-F130 WeakPolarHBondContact O-CE1 3.41Å | ||
| 125 | G | 91.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 80 | -143.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | F65 N66 L67 R68 | F65-G125 WeakPolarHBondContact CD1-O 3.37Å; N66-G125 WeakPolarHBondContact CA-O 2.7Å; L67-G125 PolarHBondContact N-O 2.76Å; L67-G125 WeakPolarHBondContact O-CA 3.04Å; R68-G125 PolarHBondContact O-N 2.99Å |
| 126 | D | 90.1 | Very high | 81.7 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -105 | 154.9 | -174.1 | -65.9 | -52.2 | 0 | 0 | 0 | 112.2 | F65 N66 K69 N128 D129 | F65-D126 CarbonylContact O-C 3.58Å; F65-D126 WeakPolarHBondContact O-CA 2.78Å; N66-D126 PolarHBondContact ND2-OD1 2.69Å; K69-D126 WeakPolarHBondContact CE-OD2 3.43Å; K69-D126 IonicContact NZ-OD2 3.79Å; K69-D126 PolarHBondContact NZ-OD2 3.41Å; D126-N128 PolarHBondContact O-N 2.76Å; D126-N128 VanDerWaalsContact O-N 3.16Å; D126-D129 PolarHBondContact N-OD2 2.96Å; D126-D129 WeakPolarHBondContact O-CB 3.49Å; D126-D129 PolarHBondContact O-N 2.86Å |
| 127 | L | 88.4 | Confident | 83 | Confident | 23 Ų | 23 | 50.7 Ų | 50.7 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -57 | -32.2 | 178.5 | -170.3 | 60.5 | 0 | 0 | 0 | 113.3 | F62 T63 F65 D129 F130 N133 | F62-L127 HydrophobicContact CB-CD1 3.72Å; T63-L127 WeakPolarHBondContact O-CD2 3.29Å; F65-L127 HydrophobicContact CB-CB 3.88Å; F65-L127 HydrophobicContact CB-CD1 3.94Å; F65-L127 HydrophobicContact CB-CG 4.45Å; F65-L127 PolarHBondContact O-N 2.8Å; L127-D129 PolarHBondContact O-N 2.91Å; L127-F130 HydrophobicContact CD1-CD2 3.8Å; L127-F130 HydrophobicContact CD1-CE2 4.23Å; L127-F130 WeakPolarHBondContact O-CB 3.05Å; L127-F130 PolarHBondContact O-N 2.88Å; L127-F130 VanDerWaalsContact O-N 3.13Å; L127-N133 HydrophobicContact CD1-CB 4.34Å; L127-N133 WeakPolarHBondContact CD1-OD1 3.34Å |
| 128 | N | 85.2 | Confident | 83.1 | Confident | 156 Ų | 156 | 47.4 Ų | 47.4 | 83% | 0.834 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -67.7 | -17.1 | 178.9 | -65.6 | -20.2 | 0 | 0 | 0 | 113.2 | D126 | D126-N128 PolarHBondContact O-N 2.76Å; D126-N128 VanDerWaalsContact O-N 3.16Å |
| 129 | D | 81.9 | Confident | 83 | Confident | 100 Ų | 100 | 42.9 Ų | 42.9 | 54% | 0.535 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -81.8 | -6.7 | 177 | -58 | -37 | 0 | 0 | 0 | 111.4 | D126 L127 | D126-D129 PolarHBondContact N-OD2 2.96Å; D126-D129 WeakPolarHBondContact O-CB 3.49Å; D126-D129 PolarHBondContact O-N 2.86Å; L127-D129 PolarHBondContact O-N 2.91Å |
| 130 | F | 80.3 | Confident | 82.8 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -92.3 | 139.2 | -176.5 | -61.4 | -4.3 | 0 | 0 | 0 | 111.3 | F65 L123 C124 L127 Q132 | F65-F130 HydrophobicContact CB-CE2 4.17Å; F65-F130 HydrophobicContact CD1-CE1 4.45Å; F65-F130 AromaticContact CD1-CE2 3.87Å; F65-F130 HydrophobicContact CD1-CE2 3.87Å; F65-F130 AromaticContact CD1-CZ 3.45Å; F65-F130 HydrophobicContact CD1-CZ 3.45Å; F65-F130 VanDerWaalsContact CD1-CZ 3.45Å; F65-F130 AromaticContact CD2-CE2 3.78Å; F65-F130 HydrophobicContact CD2-CE2 3.78Å; F65-F130 HydrophobicContact CD2-CZ 4.08Å; F65-F130 HydrophobicContact CE1-CE1 4.44Å; F65-F130 HydrophobicContact CE1-CE2 4.17Å; F65-F130 AromaticContact CE1-CZ 3.47Å; F65-F130 HydrophobicContact CE1-CZ 3.47Å; F65-F130 VanDerWaalsContact CE1-CZ 3.47Å; F65-F130 HydrophobicContact CE2-CE2 4.07Å; F65-F130 HydrophobicContact CE2-CZ 4.08Å; F65-F130 AromaticContact CG-CE2 3.67Å; F65-F130 HydrophobicContact CG-CE2 3.67Å; F65-F130 AromaticContact CG-CZ 3.77Å; F65-F130 HydrophobicContact CG-CZ 3.77Å; F65-F130 HydrophobicContact CZ-CE2 4.25Å; F65-F130 AromaticContact CZ-CZ 3.78Å; F65-F130 HydrophobicContact CZ-CZ 3.78Å; L123-F130 HydrophobicContact CB-CE1 4.35Å; L123-F130 HydrophobicContact CB-CE2 4.23Å; L123-F130 HydrophobicContact CB-CZ 3.72Å; L123-F130 HydrophobicContact CD1-CE2 3.99Å; L123-F130 HydrophobicContact CD1-CZ 4.33Å; L123-F130 HydrophobicContact CD2-CE1 4.35Å; L123-F130 HydrophobicContact CD2-CE2 4.32Å; L123-F130 HydrophobicContact CD2-CZ 4.18Å; L123-F130 HydrophobicContact CG-CE2 4.41Å; L123-F130 HydrophobicContact CG-CZ 4.29Å; C124-F130 WeakPolarHBondContact O-CE1 3.41Å; L127-F130 HydrophobicContact CD1-CD2 3.8Å; L127-F130 HydrophobicContact CD1-CE2 4.23Å; L127-F130 WeakPolarHBondContact O-CB 3.05Å; L127-F130 PolarHBondContact O-N 2.88Å; L127-F130 VanDerWaalsContact O-N 3.13Å; F130-Q132 WeakPolarHBondContact CB-O 3.3Å; F130-Q132 PolarHBondContact O-N 3.2Å |
| 131 | P | 67.5 | Low | 82.9 | Confident | 109 Ų | 109 | 40.1 Ų | 40.1 | 71% | 0.708 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -67.2 | -20.3 | 174.5 | 28.6 | -35.1 | 0 | 0 | 0 | 112.4 | P204 | P131-P204 HydrophobicContact CG-CG 3.89Š|
| 132 | Q | 74.1 | Confident | 83.1 | Confident | 25 Ų | 25 | 38.9 Ų | 38.9 | 12% | 0.117 | 20% | 0.201 | C | C | . | . | trans | -156.6 | 157.8 | 177.5 | 70.2 | -169.7 | 37 | 0 | 0 | 111.9 | F130 N134 F135 Y203 P204 | F130-Q132 WeakPolarHBondContact CB-O 3.3Å; F130-Q132 PolarHBondContact O-N 3.2Å; Q132-N134 WeakPolarHBondContact CG-O 3.24Å; Q132-N134 PolarHBondContact NE2-O 3.17Å; Q132-F135 HydrophobicContact CG-CE1 4.03Å; Q132-F135 HydrophobicContact CG-CZ 4.12Å; Q132-Y203 VanDerWaalsContact OE1-CD1 3.3Å; Q132-P204 HydrophobicContact CG-CG 4.1Å; Q132-P204 VanDerWaalsContact OE1-CG 3.32Å | ||
| 133 | N | 82 | Confident | 83.1 | Confident | 59 Ų | 59 | 33 Ų | 33 | 32% | 0.316 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -103.2 | -14.4 | 178.8 | -60 | -1 | 0 | 0 | 0 | 112.7 | T61 F62 L127 | T61-N133 CarbonylContact C-O 3.45Å; T61-N133 VanDerWaalsContact CA-O 3.26Å; T61-N133 WeakPolarHBondContact CA-O 3.17Å; F62-N133 PolarHBondContact N-O 3.47Å; L127-N133 HydrophobicContact CD1-CB 4.34Å; L127-N133 WeakPolarHBondContact CD1-OD1 3.34Å |
| 134 | N | 81 | Confident | 83 | Confident | 50 Ų | 50 | 32.2 Ų | 32.2 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 135.2 | -178.2 | -59.9 | -80.8 | 0 | 0 | 0 | 109.9 | K59 I60 T61 Q132 Y136 | K59-N134 WeakPolarHBondContact CE-OD1 3.3Å; K59-N134 PolarHBondContact NZ-OD1 3.36Å; I60-N134 CarbonylContact O-C 3.59Å; I60-N134 WeakPolarHBondContact O-CA 3.4Å; T61-N134 WeakPolarHBondContact CB-OD1 3.24Å; T61-N134 WeakPolarHBondContact CG2-OD1 3.25Å; T61-N134 PolarHBondContact OG1-OD1 2.82Å; Q132-N134 WeakPolarHBondContact CG-O 3.24Å; Q132-N134 PolarHBondContact NE2-O 3.17Å; N134-Y136 HydrophobicContact CB-CE2 3.64Å |
| 135 | F | 83.8 | Confident | 83 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 2% | 0.022 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147 | 175.8 | -59.4 | -88.1 | 0 | 0 | 0 | 109.6 | K59 I60 F62 M81 Y121 L123 Q132 | K59-F135 CarbonylContact C-O 3.42Å; K59-F135 WeakPolarHBondContact CA-O 3.37Å; I60-F135 HydrophobicContact CD1-CB 4.37Å; I60-F135 HydrophobicContact CG1-CB 3.85Å; I60-F135 PolarHBondContact N-O 2.65Å; I60-F135 PolarHBondContact O-N 3.49Å; F62-F135 AromaticContact CD2-CD2 3.96Å; F62-F135 HydrophobicContact CD2-CD2 3.96Å; F62-F135 AromaticContact CD2-CE2 3.76Å; F62-F135 HydrophobicContact CD2-CE2 3.76Å; F62-F135 AromaticContact CE2-CD2 3.87Å; F62-F135 HydrophobicContact CE2-CD2 3.87Å; F62-F135 AromaticContact CE2-CE2 3.85Å; F62-F135 HydrophobicContact CE2-CE2 3.85Å; M81-F135 HydrophobicContact CE-CB 3.58Å; M81-F135 HydrophobicContact CE-CD1 3.14Å; M81-F135 HydrophobicContact CE-CD2 3.89Å; M81-F135 HydrophobicContact CE-CE1 3.67Å; M81-F135 HydrophobicContact CE-CE2 4.35Å; M81-F135 HydrophobicContact CE-CG 3.25Å; M81-F135 HydrophobicContact CE-CZ 4.24Å; M81-F135 HydrophobicContact SD-CB 3.76Å; M81-F135 HydrophobicContact SD-CD1 4.43Å; M81-F135 HydrophobicContact SD-CG 4.01Å; Y121-F135 HydrophobicContact CD1-CE1 4.3Å; Y121-F135 HydrophobicContact CD2-CD1 4.49Å; Y121-F135 HydrophobicContact CE1-CE1 4.35Å; Y121-F135 HydrophobicContact CE2-CD1 4.31Å; Y121-F135 HydrophobicContact CG-CE1 4.49Å; L123-F135 HydrophobicContact CD1-CE2 4.25Å; L123-F135 HydrophobicContact CD1-CZ 4.21Å; L123-F135 HydrophobicContact CD2-CZ 4.41Å; Q132-F135 HydrophobicContact CG-CE1 4.03Å; Q132-F135 HydrophobicContact CG-CZ 4.12Å |
| 136 | Y | 80.6 | Confident | 83 | Confident | 42 Ų | 42 | 31.6 Ų | 31.6 | 17% | 0.165 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.3 | -170.7 | -62.1 | -102.9 | 0 | 0 | 0 | 109.5 | V58 K59 T83 N134 N197 F199 | V58-Y136 CarbonylContact O-C 3.41Å; V58-Y136 WeakPolarHBondContact O-CA 3.33Å; K59-Y136 HydrophobicContact CB-CD1 3.71Å; K59-Y136 HydrophobicContact CB-CE1 3.61Å; K59-Y136 HydrophobicContact CD-CD1 4.4Å; K59-Y136 HydrophobicContact CD-CE1 3.46Å; K59-Y136 VanDerWaalsContact CD-CE1 3.46Å; K59-Y136 WeakPolarHBondContact CD-OH 2.97Å; K59-Y136 WeakPolarHBondContact CE-OH 3.44Å; K59-Y136 HydrophobicContact CG-CD1 3.88Å; K59-Y136 HydrophobicContact CG-CE1 3.39Å; K59-Y136 HydrophobicContact CG-CE2 4.3Å; K59-Y136 PolarHBondContact NZ-OH 3.05Å; T83-Y136 WeakPolarHBondContact CB-O 3.46Å; T83-Y136 WeakPolarHBondContact CG2-O 3.36Å; N134-Y136 HydrophobicContact CB-CE2 3.64Å; Y136-N197 HydrophobicContact CE1-CB 4.28Å; Y136-N197 VanDerWaalsContact OH-CB 3.31Å; Y136-N197 WeakPolarHBondContact OH-CB 2.97Å; Y136-N197 VanDerWaalsContact OH-CG 3.24Å; Y136-N197 PolarHBondContact OH-ND2 2.83Å; Y136-F199 HydrophobicContact CD1-CD2 4.45Å; Y136-F199 AromaticContact CD1-CE2 3.98Å; Y136-F199 HydrophobicContact CD1-CE2 3.98Å; Y136-F199 AromaticContact CD2-CD2 3.81Å; Y136-F199 HydrophobicContact CD2-CD2 3.81Å; Y136-F199 HydrophobicContact CD2-CE1 4.3Å; Y136-F199 AromaticContact CD2-CE2 3.29Å; Y136-F199 HydrophobicContact CD2-CE2 3.29Å; Y136-F199 AromaticContact CD2-CZ 3.59Å; Y136-F199 HydrophobicContact CD2-CZ 3.59Å; Y136-F199 AromaticContact CE1-CE2 3.74Å; Y136-F199 HydrophobicContact CE1-CE2 3.74Å; Y136-F199 HydrophobicContact CE1-CZ 4.42Å; Y136-F199 HydrophobicContact CE2-CD2 4.08Å; Y136-F199 HydrophobicContact CE2-CE1 4.03Å; Y136-F199 AromaticContact CE2-CE2 3.1Å; Y136-F199 HydrophobicContact CE2-CE2 3.1Å; Y136-F199 AromaticContact CE2-CZ 3.08Å; Y136-F199 HydrophobicContact CE2-CZ 3.08Å; Y136-F199 HydrophobicContact CG-CD2 4.05Å; Y136-F199 AromaticContact CG-CE2 3.77Å; Y136-F199 HydrophobicContact CG-CE2 3.77Å; Y136-F199 HydrophobicContact CG-CZ 4.49Å; Y136-F199 AromaticContact CZ-CE2 3.33Å; Y136-F199 AromaticContact CZ-CZ 3.56Å |
| 137 | S | 82.7 | Confident | 83.1 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | trans | -75.2 | 150.9 | 168 | 55.5 | 0 | 0 | 0 | 0 | 111 | V58 T83 S139 I141 | V58-S137 WeakPolarHBondContact CB-OG 3.47Å; V58-S137 PolarHBondContact N-OG 3.31Å; V58-S137 PolarHBondContact O-N 3.49Å; V58-S137 PolarHBondContact O-OG 3.13Å; T83-S137 CarbonylContact O-C 3.53Å; T83-S137 VanDerWaalsContact O-CA 3.27Å; T83-S137 WeakPolarHBondContact O-CA 3.47Å; S137-S139 VanDerWaalsContact C-N 3.25Å; S137-S139 VanDerWaalsContact CB-O 3.29Å; S137-S139 WeakPolarHBondContact CB-O 3.13Å; S137-S139 PolarHBondContact OG-O 2.63Å; S137-I141 WeakPolarHBondContact CB-O 3.32Å | ||
| 138 | I | 70.7 | Confident | 83.2 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 6% | 0.062 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -79 | -14.1 | 170.3 | 71.2 | 177.9 | 0 | 0 | 0 | 111.9 | T83 T84 H173 Y181 | T83-I138 PolarHBondContact O-N 3.2Å; T84-I138 VanDerWaalsContact CB-CD1 3.43Å; T84-I138 HydrophobicContact CG2-CB 4.31Å; T84-I138 HydrophobicContact CG2-CD1 3.58Å; T84-I138 HydrophobicContact CG2-CG1 3.95Å; T84-I138 HydrophobicContact CG2-CG2 3.55Å; I138-H173 PolarHBondContact O-CD2 2.82Å; I138-H173 VanDerWaalsContact O-CD2 3.25Å; I138-Y181 VanDerWaalsContact CA-OH 3.22Å; I138-Y181 WeakPolarHBondContact CA-OH 3.46Å; I138-Y181 VanDerWaalsContact CB-OH 3.3Å; I138-Y181 WeakPolarHBondContact CB-OH 3.23Å; I138-Y181 VanDerWaalsContact O-CE1 3.26Å; I138-Y181 WeakPolarHBondContact O-CE1 3.31Å; I138-Y181 PolarHBondContact O-OH 2.89Å |
| 139 | S | 74.8 | Confident | 83.4 | Confident | 7 Ų | 7 | 24.5 Ų | 24.5 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -134 | -166.8 | -177.1 | 78.2 | 0 | 0 | 0 | 0 | 110.8 | I85 S137 I141 | I85-S139 VanDerWaalsContact O-CB 3.25Å; I85-S139 WeakPolarHBondContact O-CB 3.45Å; I85-S139 PolarHBondContact O-OG 3.13Å; S137-S139 VanDerWaalsContact C-N 3.25Å; S137-S139 VanDerWaalsContact CB-O 3.29Å; S137-S139 WeakPolarHBondContact CB-O 3.13Å; S137-S139 PolarHBondContact OG-O 2.63Å; S139-I141 PolarHBondContact O-N 3.35Å; S139-I141 PolarHBondContact OG-N 3.03Å; S139-I141 VanDerWaalsContact OG-N 3.15Å |
| 140 | S | 78.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -74.8 | 1.9 | 173.8 | 68.4 | 0 | 0 | 0 | 0 | 115.4 | G52 L53 E56 | G52-S140 PolarHBondContact N-O 3.18Å; G52-S140 WeakPolarHBondContact O-CB 3.39Å; L53-S140 WeakPolarHBondContact O-CB 3.37Å; E56-S140 WeakPolarHBondContact O-CA 3.02Å; E56-S140 VanDerWaalsContact O-CB 3.32Å; E56-S140 WeakPolarHBondContact O-CB 3.31Å; E56-S140 PolarHBondContact O-N 3.33Å |
| 141 | I | 84.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.8 | -176.5 | -65.8 | 164.8 | 0 | 0 | 0 | 111.5 | F3 Y49 F50 I85 L87 S137 S139 L143 | F3-I141 HydrophobicContact CE1-CD1 3.95Å; Y49-I141 HydrophobicContact CD2-CG2 4.22Å; Y49-I141 HydrophobicContact CE2-CG1 4.2Å; Y49-I141 HydrophobicContact CE2-CG2 3.67Å; F50-I141 WeakPolarHBondContact O-CA 3.32Å; I85-I141 HydrophobicContact CB-CB 4.28Å; I85-I141 HydrophobicContact CB-CG2 4.04Å; I85-I141 HydrophobicContact CD1-CG2 3.7Å; I85-I141 HydrophobicContact CG1-CG2 4.5Å; I85-I141 HydrophobicContact CG2-CB 4.16Å; I85-I141 HydrophobicContact CG2-CD1 4.31Å; I85-I141 HydrophobicContact CG2-CG2 3.89Å; L87-I141 HydrophobicContact CD1-CD1 4.41Å; L87-I141 HydrophobicContact CD2-CD1 3.68Å; L87-I141 HydrophobicContact CG-CD1 3.94Å; S137-I141 WeakPolarHBondContact CB-O 3.32Å; S139-I141 PolarHBondContact O-N 3.35Å; S139-I141 PolarHBondContact OG-N 3.03Å; S139-I141 VanDerWaalsContact OG-N 3.15Å; I141-L143 HydrophobicContact CG2-CG 4.4Å |
| 142 | L | 89.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 132.3 | 167.4 | -168.2 | 150.9 | 0 | 0 | 0 | 109.6 | F50 V58 I60 M81 T83 L144 | F50-L142 HydrophobicContact CB-CB 4.19Å; F50-L142 HydrophobicContact CD2-CB 4.43Å; F50-L142 HydrophobicContact CD2-CD2 3.8Å; F50-L142 HydrophobicContact CE2-CD2 4.22Å; F50-L142 PolarHBondContact N-O 2.88Å; F50-L142 PolarHBondContact O-N 2.61Å; F50-L142 VanDerWaalsContact O-N 3.07Å; V58-L142 HydrophobicContact CB-CB 3.83Å; V58-L142 HydrophobicContact CB-CD1 4.43Å; V58-L142 HydrophobicContact CG1-CB 3.91Å; V58-L142 HydrophobicContact CG1-CD1 4.29Å; V58-L142 HydrophobicContact CG2-CB 4.21Å; I60-L142 HydrophobicContact CD1-CD1 4.43Å; I60-L142 HydrophobicContact CD1-CD2 4.05Å; I60-L142 HydrophobicContact CG1-CD1 4.26Å; I60-L142 HydrophobicContact CG2-CD1 4.39Å; I60-L142 HydrophobicContact CG2-CD2 4.33Å; M81-L142 HydrophobicContact CG-CD2 4.42Å; M81-L142 HydrophobicContact SD-CD2 4.43Å; T83-L142 HydrophobicContact CG2-CD1 4.06Å; T83-L142 HydrophobicContact CG2-CG 4.47Å; L142-L144 HydrophobicContact CD2-CD2 3.65Å; L142-L144 HydrophobicContact CD2-CG 3.84Å |
| 143 | L | 90.8 | Very high | 83.8 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.5 | 174.6 | -64 | 178 | 0 | 0 | 0 | 111.8 | I5 L10 L47 Y48 Y49 M81 F82 I85 I141 | I5-L143 HydrophobicContact CD1-CD1 3.24Å; I5-L143 HydrophobicContact CD1-CG 4.41Å; L10-L143 HydrophobicContact CD1-CD1 4.21Å; L10-L143 HydrophobicContact CD2-CD1 4.04Å; L47-L143 HydrophobicContact CD1-CB 4.42Å; L47-L143 HydrophobicContact CD1-CD2 4.04Å; Y48-L143 WeakPolarHBondContact O-CA 3.19Å; Y49-L143 HydrophobicContact CD2-CD2 3.27Å; Y49-L143 HydrophobicContact CD2-CG 4.38Å; Y49-L143 HydrophobicContact CE2-CD2 4.15Å; Y49-L143 HydrophobicContact CG-CD2 3.95Å; M81-L143 WeakPolarHBondContact CA-O 3.41Å; F82-L143 HydrophobicContact CB-CB 4.19Å; F82-L143 HydrophobicContact CD2-CB 4.22Å; F82-L143 PolarHBondContact N-O 2.78Å; F82-L143 PolarHBondContact O-N 3.16Å; I85-L143 HydrophobicContact CD1-CB 3.92Å; I85-L143 HydrophobicContact CD1-CD1 3.49Å; I85-L143 VanDerWaalsContact CD1-CD1 3.49Å; I85-L143 HydrophobicContact CD1-CG 3.42Å; I85-L143 VanDerWaalsContact CD1-CG 3.42Å; I141-L143 HydrophobicContact CG2-CG 4.4Å |
| 144 | L | 92.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.1 | 166.1 | -47 | 172.3 | 0 | 0 | 0 | 109.7 | F30 L47 Y48 F50 I60 L79 D80 M81 L142 | F30-L144 HydrophobicContact CD2-CD1 4.24Å; F30-L144 HydrophobicContact CE2-CD1 3.73Å; F30-L144 HydrophobicContact CZ-CD1 4.33Å; L47-L144 CarbonylContact C-O 3.44Å; L47-L144 WeakPolarHBondContact CA-O 3.07Å; Y48-L144 HydrophobicContact CD2-CB 4.26Å; Y48-L144 HydrophobicContact CG-CB 4.48Å; Y48-L144 PolarHBondContact N-O 3.27Å; Y48-L144 PolarHBondContact O-N 3.36Å; F50-L144 HydrophobicContact CE2-CD1 3.73Å; F50-L144 HydrophobicContact CE2-CG 4.06Å; F50-L144 HydrophobicContact CZ-CD1 4.34Å; I60-L144 HydrophobicContact CD1-CD1 3.99Å; I60-L144 HydrophobicContact CD1-CD2 3.87Å; I60-L144 HydrophobicContact CD1-CG 4.44Å; L79-L144 HydrophobicContact CD1-CB 3.86Å; L79-L144 HydrophobicContact CD2-CD1 4.32Å; L79-L144 HydrophobicContact CD2-CD2 4.48Å; L79-L144 HydrophobicContact CG-CB 4.3Å; D80-L144 CarbonylContact O-C 3.58Å; D80-L144 VanDerWaalsContact O-CA 3.29Å; D80-L144 WeakPolarHBondContact O-CA 3.35Å; M81-L144 HydrophobicContact CB-CD2 3.6Å; M81-L144 HydrophobicContact CG-CD2 3.49Å; M81-L144 VanDerWaalsContact CG-CD2 3.49Å; M81-L144 HydrophobicContact SD-CD2 3.66Å; L142-L144 HydrophobicContact CD2-CD2 3.65Å; L142-L144 HydrophobicContact CD2-CG 3.84Å |
| 145 | I | 91.6 | Very high | 82.4 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 110.1 | 174.3 | -54.5 | -177.8 | 0 | 0 | 0 | 108.1 | K9 L10 L47 D80 F82 | K9-I145 HydrophobicContact CD-CG2 4.38Å; L10-I145 HydrophobicContact CD1-CD1 4.22Å; L10-I145 HydrophobicContact CD2-CD1 3.85Å; L10-I145 HydrophobicContact CD2-CG1 4.43Å; L10-I145 HydrophobicContact CG-CD1 3.72Å; L47-I145 HydrophobicContact CD1-CG1 3.79Å; D80-I145 HydrophobicContact CB-CB 4.25Å; D80-I145 PolarHBondContact N-O 3.26Å; D80-I145 PolarHBondContact O-N 2.78Å; F82-I145 HydrophobicContact CD2-CD1 4.35Å; F82-I145 HydrophobicContact CD2-CG1 4.44Å; F82-I145 HydrophobicContact CE2-CD1 3.53Å; F82-I145 HydrophobicContact CE2-CG1 3.9Å; F82-I145 HydrophobicContact CZ-CD1 4.18Å |
| 146 | F | 92.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 132.6 | 176.5 | -176.5 | -134.6 | 0 | 0 | 0 | 110.7 | T32 Y39 L43 L46 Y48 L67 Y78 L79 T148 F163 | T32-F146 HydrophobicContact CG2-CD1 4.43Å; T32-F146 HydrophobicContact CG2-CE1 4.02Å; T32-F146 HydrophobicContact CG2-CZ 4.27Å; Y39-F146 AromaticContact CD2-CZ 4Å; Y39-F146 HydrophobicContact CD2-CZ 4Å; Y39-F146 HydrophobicContact CE2-CZ 4.45Å; Y39-F146 HydrophobicContact CG-CZ 4.06Å; L43-F146 HydrophobicContact CD1-CD1 4.06Å; L43-F146 HydrophobicContact CD1-CE1 3.91Å; L46-F146 HydrophobicContact CB-CB 4.2Å; L46-F146 HydrophobicContact CD2-CD1 4.11Å; L46-F146 PolarHBondContact N-O 2.88Å; L46-F146 PolarHBondContact O-N 3.39Å; Y48-F146 HydrophobicContact CE2-CB 4.43Å; L67-F146 HydrophobicContact CD1-CD2 4.38Å; L67-F146 HydrophobicContact CD1-CE2 3.77Å; L67-F146 HydrophobicContact CD2-CE2 3.55Å; L67-F146 HydrophobicContact CD2-CZ 3.77Å; L67-F146 HydrophobicContact CG-CE2 4.34Å; Y78-F146 WeakPolarHBondContact O-CD2 2.95Å; L79-F146 HydrophobicContact CD1-CB 3.68Å; L79-F146 HydrophobicContact CD1-CD2 4.26Å; L79-F146 HydrophobicContact CD1-CG 4.36Å; F146-T148 HydrophobicContact CD1-CG2 4.37Å; F146-T148 HydrophobicContact CD2-CG2 4.44Å; F146-T148 HydrophobicContact CE1-CG2 3.59Å; F146-T148 HydrophobicContact CE2-CG2 3.66Å; F146-T148 HydrophobicContact CZ-CG2 3.18Å; F146-F163 HydrophobicContact CB-CE1 4.35Å; F146-F163 HydrophobicContact CB-CZ 4.43Å; F146-F163 HydrophobicContact CD1-CE1 4.35Å; F146-F163 AromaticContact CD2-CE1 3.81Å; F146-F163 HydrophobicContact CD2-CE1 3.81Å; F146-F163 HydrophobicContact CE2-CE1 4.15Å; F146-F163 AromaticContact CG-CE1 3.92Å; F146-F163 HydrophobicContact CG-CE1 3.92Å; F146-F163 HydrophobicContact CG-CZ 4.39Å |
| 147 | H | 91.8 | Very high | 80.7 | Confident | 33 Ų | 33 | 41 Ų | 41 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.2 | 179 | 174.5 | -93.5 | 0 | 0 | 0 | 110.9 | K9 L43 N44 I76 D77 Y78 | K9-H147 PolarHBondContact NZ-CD2 3.11Å; K9-H147 VanDerWaalsContact NZ-CG 3.34Å; L43-H147 WeakPolarHBondContact O-CA 3.27Å; L43-H147 PolarHBondContact O-CD2 3.14Å; N44-H147 PolarHBondContact O-CD2 3.39Å; I76-H147 PolarHBondContact O-ND1 2.96Å; D77-H147 WeakPolarHBondContact CA-O 3.42Å; Y78-H147 HydrophobicContact CD1-CB 4.47Å; Y78-H147 AromaticContact CD1-ND1 3.87Å; Y78-H147 HydrophobicContact CD2-CB 4.15Å; Y78-H147 HydrophobicContact CE1-CB 4.09Å; Y78-H147 AromaticContact CE1-CE1 3.96Å; Y78-H147 AromaticContact CE1-CG 3.82Å; Y78-H147 AromaticContact CE1-ND1 3.21Å; Y78-H147 WeakPolarHBondContact CE1-ND1 3.19Å; Y78-H147 HydrophobicContact CE2-CB 3.73Å; Y78-H147 HydrophobicContact CG-CB 4.49Å; Y78-H147 AromaticContact CZ-CG 3.65Å; Y78-H147 AromaticContact CZ-ND1 3.53Å; Y78-H147 PolarHBondContact N-O 2.86Å; Y78-H147 PolarHBondContact O-N 2.76Å |
| 148 | T | 90.9 | Very high | 79.6 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | trans | -133.8 | 138.3 | 174.8 | 67.5 | 0 | 0 | 0 | 0 | 110.8 | Y39 Q40 Y41 E42 L43 D77 F146 | Y39-T148 HydrophobicContact CD2-CG2 3.68Å; Y39-T148 HydrophobicContact CE2-CG2 3.66Å; Q40-T148 PolarHBondContact O-OG1 2.74Å; Y41-T148 WeakPolarHBondContact CA-OG1 3.44Å; E42-T148 CarbonylContact C-O 3.57Å; E42-T148 VanDerWaalsContact CA-O 3.3Å; E42-T148 WeakPolarHBondContact CA-O 3.06Å; E42-T148 PolarHBondContact N-O 2.88Å; E42-T148 PolarHBondContact N-OG1 3.36Å; L43-T148 HydrophobicContact CB-CG2 4.48Å; L43-T148 VanDerWaalsContact CB-OG1 3.28Å; L43-T148 WeakPolarHBondContact CB-OG1 3.15Å; L43-T148 HydrophobicContact CD1-CG2 4.39Å; L43-T148 PolarHBondContact N-O 3.41Å; L43-T148 VanDerWaalsContact N-O 3.11Å; L43-T148 PolarHBondContact N-OG1 2.83Å; L43-T148 PolarHBondContact O-N 2.75Å; D77-T148 HydrophobicContact CB-CG2 4.4Å; D77-T148 WeakPolarHBondContact OD1-CA 3.07Å; F146-T148 HydrophobicContact CD1-CG2 4.37Å; F146-T148 HydrophobicContact CD2-CG2 4.44Å; F146-T148 HydrophobicContact CE1-CG2 3.59Å; F146-T148 HydrophobicContact CE2-CG2 3.66Å; F146-T148 HydrophobicContact CZ-CG2 3.18Å | ||
| 149 | A | 89.7 | Confident | 79.6 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 23% | 0.231 | 30% | 0.299 | C | S | . | . | trans | -91.7 | 177.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E42 R68 I76 D77 | E42-A149 PolarHBondContact N-O 3.38Å; R68-A149 PolarHBondContact NH2-O 2.51Å; I76-A149 HydrophobicContact CG2-CB 3.41Å; I76-A149 VanDerWaalsContact CG2-CB 3.41Å; D77-A149 PolarHBondContact OD1-N 2.79Å | ||
| 150 | S | 86.3 | Confident | 79.9 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 44% | 0.441 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 155.3 | 173.1 | -56.9 | 0 | 0 | 0 | 0 | 112.7 | E42 R68 | E42-S150 WeakPolarHBondContact CG-OG 3.45Å; E42-S150 VanDerWaalsContact OE1-CB 3.25Å; E42-S150 WeakPolarHBondContact OE1-CB 3.46Å; E42-S150 PolarHBondContact OE1-OG 2.98Å; R68-S150 PolarHBondContact NH1-O 3.1Å; R68-S150 PolarHBondContact NH2-O 2.95Å; R68-S150 VanDerWaalsContact NH2-O 3.16Å |
| 151 | K | 80 | Confident | 80.2 | Confident | 134 Ų | 134 | 56.9 Ų | 56.9 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 139.7 | 171 | -70.7 | 179.9 | 179.8 | 174.5 | 0 | 109.5 | Y41 | Y41-K151 HydrophobicContact CD1-CG 3.61Å; Y41-K151 HydrophobicContact CD2-CD 3.99Å; Y41-K151 HydrophobicContact CD2-CG 3.6Å; Y41-K151 HydrophobicContact CE1-CG 3.83Å; Y41-K151 HydrophobicContact CE2-CD 4.1Å; Y41-K151 HydrophobicContact CE2-CG 3.85Å; Y41-K151 HydrophobicContact CG-CD 4.34Å; Y41-K151 HydrophobicContact CG-CG 3.47Å; Y41-K151 VanDerWaalsContact CG-CG 3.47Å |
| 152 | I | 73.1 | Confident | 80.5 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 121.2 | 173.5 | -62.7 | 164.9 | 0 | 0 | 0 | 107.4 | I71 I76 G154 I155 | I71-I152 HydrophobicContact CD1-CD1 3.67Å; I76-I152 HydrophobicContact CD1-CD1 4.28Å; I152-G154 PolarHBondContact O-N 3.02Å; I152-I155 HydrophobicContact CB-CD1 3.93Å; I152-I155 HydrophobicContact CB-CG1 4.4Å; I152-I155 HydrophobicContact CD1-CD1 4.13Å; I152-I155 HydrophobicContact CG2-CD1 3.72Å; I152-I155 HydrophobicContact CG2-CG1 4.1Å |
| 153 | P | 71.3 | Confident | 80.7 | Confident | 124 Ų | 124 | 56.9 Ų | 56.9 | 81% | 0.805 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 134.4 | 177.6 | -22.9 | 33.1 | 0 | 0 | 0 | 111.6 | ||
| 154 | G | 67.1 | Low | 80.8 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 91% | 0.907 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.7 | -8.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | I152 | I152-G154 PolarHBondContact O-N 3.02Š|
| 155 | I | 68 | Low | 80.7 | Confident | 90 Ų | 90 | 57.9 Ų | 57.9 | 46% | 0.462 | 32% | 0.32 | S | S | . | . | trans | -90.8 | 128.3 | 175.9 | -58.3 | -177.3 | 0 | 0 | 0 | 110 | I152 H157 | I152-I155 HydrophobicContact CB-CD1 3.93Å; I152-I155 HydrophobicContact CB-CG1 4.4Å; I152-I155 HydrophobicContact CD1-CD1 4.13Å; I152-I155 HydrophobicContact CG2-CD1 3.72Å; I152-I155 HydrophobicContact CG2-CG1 4.1Å; I155-H157 PolarHBondContact O-CD2 2.74Å; I155-H157 PolarHBondContact O-N 3.29Å; I155-H157 VanDerWaalsContact O-N 3.11Å | ||
| 156 | K | 63 | Low | 80.4 | Confident | 187 Ų | 187 | 61.2 Ų | 61.2 | 81% | 0.813 | 34% | 0.338 | S | S | * | . | trans | -72.6 | 101.2 | 172 | -73 | -175 | 179.6 | 178.6 | 0 | 109.5 | N158 | K156-N158 PolarHBondContact O-N 2.9Å; K156-N158 VanDerWaalsContact O-N 3.14Å | ||
| 157 | H | 64.4 | Low | 80 | Confident | 26 Ų | 26 | 62 Ų | 62 | 12% | 0.12 | 34% | 0.341 | C | S | . | . | trans | -82.4 | 30.2 | 179.9 | -66.1 | -83.9 | 0 | 0 | 0 | 114.2 | N38 Y41 I155 Q159 Q160 | N38-H157 PolarHBondContact ND2-O 2.9Å; Y41-H157 WeakPolarHBondContact OH-CB 3.3Å; I155-H157 PolarHBondContact O-CD2 2.74Å; I155-H157 PolarHBondContact O-N 3.29Å; I155-H157 VanDerWaalsContact O-N 3.11Å; H157-Q159 PolarHBondContact O-N 2.8Å; H157-Q160 PolarHBondContact ND1-OE1 2.83Å | ||
| 158 | N | 60.3 | Low | 79.5 | Confident | 126 Ų | 126 | 63.4 Ų | 63.4 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 122.8 | 178.7 | -67.1 | -4.1 | 0 | 0 | 0 | 107.1 | K156 | K156-N158 PolarHBondContact O-N 2.9Å; K156-N158 VanDerWaalsContact O-N 3.14Å |
| 159 | Q | 69.6 | Low | 78.5 | Confident | 150 Ų | 150 | 63.6 Ų | 63.6 | 70% | 0.701 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97 | 9.6 | 171.7 | -51 | 168 | -7 | 0 | 0 | 118.3 | N66 H157 M161 | N66-Q159 PolarHBondContact OD1-O 2.94Å; H157-Q159 PolarHBondContact O-N 2.8Å; Q159-M161 VanDerWaalsContact C-N 3.25Å; Q159-M161 PolarHBondContact O-N 3.29Å |
| 160 | Q | 82 | Confident | 77.3 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 12% | 0.117 | 35% | 0.348 | C | S | . | . | trans | -75.6 | 67.1 | 172.1 | -80.9 | 178.1 | -8.4 | 0 | 0 | 113.3 | N38 Y39 Y41 N66 H157 G162 | N38-Q160 WeakPolarHBondContact CA-O 3.41Å; N38-Q160 PolarHBondContact OD1-N 3.25Å; Y39-Q160 HydrophobicContact CD1-CB 4.23Å; Y39-Q160 WeakPolarHBondContact CD1-O 3.14Å; Y39-Q160 HydrophobicContact CE1-CB 3.58Å; Y39-Q160 HydrophobicContact CE1-CG 4.2Å; Y39-Q160 WeakPolarHBondContact CE1-O 3.05Å; Y39-Q160 PolarHBondContact N-O 3.41Å; Y41-Q160 PolarHBondContact OH-OE1 2.94Å; N66-Q160 VanDerWaalsContact OD1-CA 3.27Å; N66-Q160 WeakPolarHBondContact OD1-CA 3.18Å; H157-Q160 PolarHBondContact ND1-OE1 2.83Å; Q160-G162 VanDerWaalsContact C-N 3.35Å; Q160-G162 PolarHBondContact O-N 2.82Å | ||
| 161 | M | 85.1 | Confident | 76.1 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 29% | 0.291 | 34% | 0.337 | S | S | . | . | trans | -76.2 | -17.8 | -173 | -58.1 | -174.1 | -67.6 | 0 | 0 | 114.1 | T32 Y35 P36 Q159 | T32-M161 PolarHBondContact OG1-O 3.16Å; Y35-M161 HydrophobicContact CD2-CB 4.21Å; Y35-M161 WeakPolarHBondContact CD2-O 3.26Å; Y35-M161 HydrophobicContact CE2-CB 4.12Å; P36-M161 HydrophobicContact CB-SD 4.27Å; P36-M161 WeakPolarHBondContact O-CG 3.16Å; Q159-M161 VanDerWaalsContact C-N 3.25Å; Q159-M161 PolarHBondContact O-N 3.29Å | ||
| 162 | G | 91.3 | Very high | 75.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.3 | -137.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N66 Q160 | N66-G162 PolarHBondContact N-O 3.05Å; N66-G162 WeakPolarHBondContact O-CA 3.43Å; N66-G162 PolarHBondContact O-N 3.27Å; Q160-G162 VanDerWaalsContact C-N 3.35Å; Q160-G162 PolarHBondContact O-N 2.82Å |
| 163 | F | 93.6 | Very high | 75.2 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 151 | -177 | 58.3 | -100 | 0 | 0 | 0 | 112.1 | F30 K31 T32 Y48 F62 T64 F65 L79 F146 | F30-F163 HydrophobicContact CD2-CD2 4.21Å; F30-F163 AromaticContact CD2-CE2 3.99Å; F30-F163 HydrophobicContact CD2-CE2 3.99Å; F30-F163 AromaticContact CE2-CD2 3.94Å; F30-F163 HydrophobicContact CE2-CD2 3.94Å; F30-F163 AromaticContact CE2-CE2 3.97Å; F30-F163 HydrophobicContact CE2-CE2 3.97Å; K31-F163 CarbonylContact C-O 3.45Å; K31-F163 WeakPolarHBondContact CA-O 3.31Å; K31-F163 WeakPolarHBondContact CB-O 3.37Å; T32-F163 HydrophobicContact CG2-CD1 3.31Å; T32-F163 HydrophobicContact CG2-CD2 4.04Å; T32-F163 HydrophobicContact CG2-CE1 3.23Å; T32-F163 HydrophobicContact CG2-CE2 3.98Å; T32-F163 HydrophobicContact CG2-CG 3.72Å; T32-F163 HydrophobicContact CG2-CZ 3.59Å; T32-F163 PolarHBondContact N-O 3.09Å; T32-F163 PolarHBondContact OG1-N 3.1Å; T32-F163 VanDerWaalsContact OG1-N 3.16Å; T32-F163 PolarHBondContact OG1-O 3.42Å; Y48-F163 HydrophobicContact CD2-CZ 4.46Å; Y48-F163 HydrophobicContact CE1-CE2 4.43Å; Y48-F163 HydrophobicContact CE2-CE2 4.16Å; Y48-F163 AromaticContact CE2-CZ 3.73Å; Y48-F163 HydrophobicContact CE2-CZ 3.73Å; Y48-F163 AromaticContact CZ-CE2 3.98Å; Y48-F163 AromaticContact CZ-CZ 3.91Å; F62-F163 HydrophobicContact CD1-CB 4.07Å; F62-F163 HydrophobicContact CE1-CB 4.07Å; F62-F163 AromaticContact CE1-CD2 3.94Å; F62-F163 HydrophobicContact CE1-CD2 3.94Å; F62-F163 HydrophobicContact CE1-CG 4.07Å; T64-F163 VanDerWaalsContact O-CA 3.26Å; T64-F163 WeakPolarHBondContact O-CA 3.37Å; F65-F163 HydrophobicContact CD2-CB 3.64Å; F65-F163 HydrophobicContact CD2-CG 4.35Å; F65-F163 HydrophobicContact CE2-CB 4.12Å; F65-F163 HydrophobicContact CE2-CD1 4.19Å; F65-F163 HydrophobicContact CE2-CG 4.37Å; F65-F163 HydrophobicContact CG-CB 4.25Å; L79-F163 HydrophobicContact CD1-CE1 3.75Å; L79-F163 HydrophobicContact CD1-CZ 3.75Å; L79-F163 HydrophobicContact CD2-CD1 4.17Å; L79-F163 HydrophobicContact CD2-CE1 3.94Å; L79-F163 HydrophobicContact CD2-CE2 4.45Å; L79-F163 HydrophobicContact CD2-CZ 4.1Å; L79-F163 HydrophobicContact CG-CE1 4.33Å; F146-F163 HydrophobicContact CB-CE1 4.35Å; F146-F163 HydrophobicContact CB-CZ 4.43Å; F146-F163 HydrophobicContact CD1-CE1 4.35Å; F146-F163 AromaticContact CD2-CE1 3.81Å; F146-F163 HydrophobicContact CD2-CE1 3.81Å; F146-F163 HydrophobicContact CE2-CE1 4.15Å; F146-F163 AromaticContact CG-CE1 3.92Å; F146-F163 HydrophobicContact CG-CE1 3.92Å; F146-F163 HydrophobicContact CG-CZ 4.39Å |
| 164 | I | 92.2 | Very high | 75 | Confident | 27 Ų | 27 | 57.2 Ų | 57.2 | 14% | 0.138 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 144.3 | 168.1 | 177.5 | 164.5 | 0 | 0 | 0 | 108 | I29 F30 K31 Y35 T63 T64 | I29-I164 HydrophobicContact CG2-CD1 3.77Å; I29-I164 HydrophobicContact CG2-CG1 3.73Å; F30-I164 CarbonylContact O-C 3.48Å; F30-I164 WeakPolarHBondContact O-CA 3.1Å; K31-I164 HydrophobicContact CB-CB 3.95Å; K31-I164 HydrophobicContact CB-CD1 4.37Å; K31-I164 HydrophobicContact CB-CG1 4.05Å; K31-I164 HydrophobicContact CD-CD1 4.33Å; Y35-I164 HydrophobicContact CD1-CB 4.38Å; Y35-I164 HydrophobicContact CD1-CD1 4.14Å; Y35-I164 HydrophobicContact CD1-CG2 4.48Å; Y35-I164 HydrophobicContact CD2-CB 4.48Å; Y35-I164 HydrophobicContact CD2-CG2 4.4Å; Y35-I164 HydrophobicContact CE1-CB 4.19Å; Y35-I164 HydrophobicContact CE1-CD1 3.92Å; Y35-I164 HydrophobicContact CE1-CG2 3.83Å; Y35-I164 HydrophobicContact CE2-CB 4.29Å; Y35-I164 HydrophobicContact CE2-CG2 3.73Å; Y35-I164 VanDerWaalsContact CZ-CG2 3.41Å; Y35-I164 WeakPolarHBondContact OH-CG2 3.01Å; T63-I164 PolarHBondContact N-O 2.68Å; T63-I164 WeakPolarHBondContact OG1-CG2 3.26Å; T63-I164 PolarHBondContact OG1-O 3.44Å; T63-I164 VanDerWaalsContact OG1-O 3.05Å; T64-I164 PolarHBondContact N-O 3.22Å; T64-I164 PolarHBondContact O-N 3.48Å |
| 165 | G | 90.7 | Very high | 74.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 170.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I29 F30 T61 | I29-G165 CarbonylContact C-O 3.59Å; I29-G165 VanDerWaalsContact CA-O 3.31Å; I29-G165 WeakPolarHBondContact CA-O 3.41Å; F30-G165 VanDerWaalsContact CD1-O 3.29Å; F30-G165 WeakPolarHBondContact CD1-O 3.45Å; F30-G165 VanDerWaalsContact CE1-C 3.45Å; F30-G165 PolarHBondContact N-O 3.43Å; F30-G165 PolarHBondContact O-N 3.43Å; T61-G165 CarbonylContact O-C 3.56Å; T61-G165 WeakPolarHBondContact O-CA 3.27Å |
| 166 | N | 86.4 | Confident | 74.8 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 143.8 | 174.5 | -59.1 | -50.8 | 0 | 0 | 0 | 109.2 | G28 I29 I60 T61 | G28-N166 CarbonylContact O-C 3.49Å; G28-N166 VanDerWaalsContact O-CA 3.23Å; G28-N166 WeakPolarHBondContact O-CA 3.43Å; I29-N166 WeakPolarHBondContact CG1-OD1 3.46Å; I60-N166 CarbonylContact C-O 3.53Å; I60-N166 VanDerWaalsContact CA-O 3.3Å; I60-N166 WeakPolarHBondContact CA-O 3.38Å; T61-N166 PolarHBondContact N-O 3.35Å; T61-N166 PolarHBondContact O-N 3.43Å |
| 167 | Y | 84.3 | Confident | 75.2 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 153 | 167.4 | 72.9 | -85.6 | 0 | 0 | 0 | 110.5 | F20 S27 G28 F30 F50 K59 | F20-Y167 HydrophobicContact CB-CE1 4.39Å; F20-Y167 HydrophobicContact CB-CE2 4.17Å; F20-Y167 AromaticContact CD1-CD1 3.97Å; F20-Y167 HydrophobicContact CD1-CD1 3.97Å; F20-Y167 AromaticContact CD1-CE1 3.34Å; F20-Y167 HydrophobicContact CD1-CE1 3.34Å; F20-Y167 AromaticContact CD1-CZ 3.7Å; F20-Y167 HydrophobicContact CE1-CD1 4.46Å; F20-Y167 AromaticContact CE1-CE1 3.96Å; F20-Y167 HydrophobicContact CE1-CE1 3.96Å; F20-Y167 HydrophobicContact CG-CE1 4.17Å; S27-Y167 CarbonylContact C-O 3.47Å; S27-Y167 WeakPolarHBondContact CA-O 3.38Å; S27-Y167 WeakPolarHBondContact CB-O 3.38Å; G28-Y167 VanDerWaalsContact C-CD1 3.47Å; G28-Y167 PolarHBondContact N-O 2.01Å; G28-Y167 VanDerWaalsContact N-O 3.08Å; G28-Y167 VanDerWaalsContact O-CD1 3.29Å; G28-Y167 WeakPolarHBondContact O-CD1 3.29Å; G28-Y167 PolarHBondContact O-N 3.1Å; F30-Y167 HydrophobicContact CD1-CD1 4.49Å; F50-Y167 HydrophobicContact CD1-CD1 4.32Å; F50-Y167 HydrophobicContact CD1-CD2 4.04Å; F50-Y167 AromaticContact CD1-CG 3.8Å; F50-Y167 HydrophobicContact CD1-CG 3.8Å; F50-Y167 AromaticContact CE1-CD1 3.76Å; F50-Y167 HydrophobicContact CE1-CD1 3.76Å; F50-Y167 HydrophobicContact CE1-CD2 4.28Å; F50-Y167 AromaticContact CE1-CG 3.6Å; F50-Y167 HydrophobicContact CE1-CG 3.6Å; K59-Y167 CarbonylContact O-C 3.57Å; K59-Y167 WeakPolarHBondContact O-CA 3.16Å |
| 168 | Q | 80.4 | Confident | 75.5 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 137.4 | 176.5 | -177.5 | 175.7 | 6.3 | 0 | 0 | 110.6 | K26 K59 N170 | K26-Q168 CarbonylContact O-C 3.59Å; K26-Q168 WeakPolarHBondContact O-CA 3.04Å; K59-Q168 HydrophobicContact CB-CB 4.49Å; K59-Q168 WeakPolarHBondContact CB-O 3.47Å; K59-Q168 PolarHBondContact N-O 3Å; K59-Q168 PolarHBondContact O-N 2.8Å; Q168-N170 WeakPolarHBondContact CG-OD1 3.43Å; Q168-N170 PolarHBondContact NE2-ND2 2.84Å; Q168-N170 PolarHBondContact NE2-OD1 2.81Å |
| 169 | N | 69.3 | Low | 76.3 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 109.8 | 176.6 | -64.8 | 77.9 | 0 | 0 | 0 | 110.6 | K26 G52 E56 L57 | K26-N169 PolarHBondContact O-N 3.31Å; K26-N169 PolarHBondContact O-OD1 3.42Å; G52-N169 WeakPolarHBondContact CA-ND2 3.31Å; E56-N169 HydrophobicContact CB-CB 4.25Å; L57-N169 CarbonylContact O-C 3.33Å; L57-N169 WeakPolarHBondContact O-CA 3.4Å |
| 170 | N | 64.3 | Low | 76.9 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 157.3 | -176.2 | -74.6 | -5.9 | 0 | 0 | 0 | 112.6 | L57 Q168 | L57-N170 WeakPolarHBondContact CA-O 3.16Å; L57-N170 WeakPolarHBondContact CB-O 3.42Å; L57-N170 WeakPolarHBondContact CG-O 3.45Å; L57-N170 PolarHBondContact N-O 2.95Å; L57-N170 PolarHBondContact O-N 3.15Å; Q168-N170 WeakPolarHBondContact CG-OD1 3.43Å; Q168-N170 PolarHBondContact NE2-ND2 2.84Å; Q168-N170 PolarHBondContact NE2-OD1 2.81Å |
| 171 | G | 61.6 | Low | 77 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 71.6 | 150.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | E56 L57 | E56-G171 CarbonylContact C-O 3.56Å; E56-G171 WeakPolarHBondContact CA-O 3.47Å; L57-G171 PolarHBondContact N-O 3.48Å |
| 172 | K | 66.2 | Low | 77 | Confident | 88 Ų | 88 | 43 Ų | 43 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 108.3 | -176.7 | 171.7 | 167.5 | -170.3 | -171.2 | 0 | 111.9 | N55 Y181 E182 | N55-K172 HydrophobicContact CB-CB 4.24Å; N55-K172 HydrophobicContact CB-CD 3.79Å; N55-K172 HydrophobicContact CB-CG 3.66Å; N55-K172 WeakPolarHBondContact O-CA 3.42Å; N55-K172 WeakPolarHBondContact O-CB 3.38Å; K172-Y181 CarbonylContact O-C 3.48Å; K172-Y181 WeakPolarHBondContact O-CA 3.4Å; K172-E182 HydrophobicContact CB-CB 4.31Å; K172-E182 WeakPolarHBondContact CB-O 3.2Å; K172-E182 PolarHBondContact N-O 2.8Å; K172-E182 PolarHBondContact O-N 2.86Å |
| 173 | H | 67.4 | Low | 76.6 | Confident | 20 Ų | 20 | 43.4 Ų | 43.4 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 137.3 | 166.5 | -172.6 | -117.2 | 0 | 0 | 0 | 109.9 | L57 I138 T177 D180 Y181 | L57-H173 HydrophobicContact CD2-CB 3.93Å; I138-H173 PolarHBondContact O-CD2 2.82Å; I138-H173 VanDerWaalsContact O-CD2 3.25Å; H173-T177 PolarHBondContact CE1-O 2.97Å; H173-T177 PolarHBondContact NE2-O 2.71Å; H173-T177 VanDerWaalsContact NE2-O 3.09Å; H173-D180 PolarHBondContact CD2-O 2.9Å; H173-Y181 HydrophobicContact CB-CD1 4.37Å; H173-Y181 HydrophobicContact CB-CE1 4.38Å; H173-Y181 AromaticContact CD2-CD1 3.96Å; H173-Y181 AromaticContact CD2-CE1 3.5Å; H173-Y181 VanDerWaalsContact CD2-CE1 3.5Å; H173-Y181 WeakPolarHBondContact CD2-CE1 3.2Å |
| 174 | K | 67.5 | Low | 76.1 | Confident | 99 Ų | 99 | 47.6 Ų | 47.6 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -83 | 120.6 | 172.4 | -172.2 | 177.9 | 172.6 | -169.3 | 0 | 108.6 | T177 D180 | K174-T177 HydrophobicContact CB-CG2 3.99Å; K174-T177 HydrophobicContact CD-CG2 3.88Å; K174-T177 HydrophobicContact CG-CG2 3.88Å; K174-T177 PolarHBondContact O-N 2.77Å; K174-T177 PolarHBondContact O-OG1 2.72Å; K174-D180 HydrophobicContact CB-CB 3.87Å; K174-D180 HydrophobicContact CD-CB 4.2Å; K174-D180 PolarHBondContact N-O 3.24Å |
| 175 | E | 65.4 | Low | 75.6 | Confident | 126 Ų | 126 | 48.5 Ų | 48.5 | 59% | 0.589 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 143.6 | 178.2 | -67 | 176.6 | -179.4 | 0 | 0 | 111.3 | S54 T177 | S54-E175 PolarHBondContact OG-OE1 3.18Å; E175-T177 PolarHBondContact O-N 2.78Å |
| 176 | N | 66.5 | Low | 74.6 | Confident | 149 Ų | 149 | 51 Ų | 51 | 80% | 0.797 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 23.9 | -177.7 | -54.1 | -33.4 | 0 | 0 | 0 | 115.4 | ||
| 177 | T | 70.6 | Confident | 73.4 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 18% | 0.184 | 28% | 0.275 | C | S | . | . | trans | -118 | 158.6 | 169.4 | 74.3 | 0 | 0 | 0 | 0 | 110 | H173 K174 E175 D180 | H173-T177 PolarHBondContact CE1-O 2.97Å; H173-T177 PolarHBondContact NE2-O 2.71Å; H173-T177 VanDerWaalsContact NE2-O 3.09Å; K174-T177 HydrophobicContact CB-CG2 3.99Å; K174-T177 HydrophobicContact CD-CG2 3.88Å; K174-T177 HydrophobicContact CG-CG2 3.88Å; K174-T177 PolarHBondContact O-N 2.77Å; K174-T177 PolarHBondContact O-OG1 2.72Å; E175-T177 PolarHBondContact O-N 2.78Å; T177-D180 HydrophobicContact CG2-CB 3.96Å; T177-D180 VanDerWaalsContact OG1-CB 3.31Å; T177-D180 WeakPolarHBondContact OG1-CB 3.5Å; T177-D180 PolarHBondContact OG1-N 2.67Å; T177-D180 VanDerWaalsContact OG1-N 3.17Å | ||
| 178 | L | 70.1 | Confident | 71.9 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 40% | 0.398 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -81.6 | -32.5 | 179.2 | -179 | 60.7 | 0 | 0 | 0 | 112 | E86 I211 | E86-L178 WeakPolarHBondContact OE1-CD1 3.45Å; L178-I211 HydrophobicContact CD2-CD1 3.28Å; L178-I211 HydrophobicContact CD2-CG1 3.95Å; L178-I211 HydrophobicContact CG-CD1 3.83Å |
| 179 | C | 77.1 | Confident | 70.4 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -161.8 | 29.8 | -170 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | Y181 P201 I211 C213 | C179-Y181 HydrophobicContact CB-CE2 4Å; C179-Y181 WeakPolarHBondContact O-CD2 3.39Å; C179-Y181 WeakPolarHBondContact O-CE2 3.28Å; C179-P201 HydrophobicContact CB-CG 3.66Å; C179-I211 HydrophobicContact CB-CD1 4.41Å; C179-I211 WeakPolarHBondContact SG-CD1 3.26Å; C179-C213 HydrophobicContact CB-CB 3.79Å; C179-C213 WeakPolarHBondContact CB-SG 2.94Å; C179-C213 WeakPolarHBondContact O-CB 3.31Å; C179-C213 WeakPolarHBondContact SG-CA 3.14Å; C179-C213 WeakPolarHBondContact SG-CB 3.34Å; C179-C213 CovalentContact SG-SG 2.02Å; C179-C213 PolarHBondContact SG-SG 2.95Å |
| 180 | D | 83.3 | Confident | 69.3 | Low | 21 Ų | 21 | 71.5 Ų | 71.5 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | trans | -91.5 | 134 | 172.3 | -65.6 | -10.9 | 0 | 0 | 0 | 110.3 | H173 K174 T177 R214 | H173-D180 PolarHBondContact CD2-O 2.9Å; K174-D180 HydrophobicContact CB-CB 3.87Å; K174-D180 HydrophobicContact CD-CB 4.2Å; K174-D180 PolarHBondContact N-O 3.24Å; T177-D180 HydrophobicContact CG2-CB 3.96Å; T177-D180 VanDerWaalsContact OG1-CB 3.31Å; T177-D180 WeakPolarHBondContact OG1-CB 3.5Å; T177-D180 PolarHBondContact OG1-N 2.67Å; T177-D180 VanDerWaalsContact OG1-N 3.17Å; D180-R214 CarbonylContact C-O 3.57Å; D180-R214 VanDerWaalsContact CA-O 3.23Å; D180-R214 WeakPolarHBondContact CA-O 3.41Å; D180-R214 HydrophobicContact CB-CB 4.31Å; D180-R214 WeakPolarHBondContact OD1-CB 3.48Å; D180-R214 PolarHBondContact OD1-N 3.12Å | ||
| 181 | Y | 82.8 | Confident | 68.1 | Low | 16 Ų | 16 | 77.6 Ų | 77.6 | 6% | 0.063 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.8 | -173.1 | -55.5 | -75.1 | 0 | 0 | 0 | 112.2 | L57 I138 K172 H173 C179 R214 F215 I216 | L57-Y181 HydrophobicContact CD1-CD1 3.56Å; L57-Y181 HydrophobicContact CD1-CE1 3.69Å; L57-Y181 HydrophobicContact CD1-CG 4.43Å; L57-Y181 HydrophobicContact CD2-CD1 3.9Å; L57-Y181 HydrophobicContact CD2-CE1 3.54Å; L57-Y181 HydrophobicContact CG-CD1 4.22Å; L57-Y181 HydrophobicContact CG-CE1 4.22Å; I138-Y181 VanDerWaalsContact CA-OH 3.22Å; I138-Y181 WeakPolarHBondContact CA-OH 3.46Å; I138-Y181 VanDerWaalsContact CB-OH 3.3Å; I138-Y181 WeakPolarHBondContact CB-OH 3.23Å; I138-Y181 VanDerWaalsContact O-CE1 3.26Å; I138-Y181 WeakPolarHBondContact O-CE1 3.31Å; I138-Y181 PolarHBondContact O-OH 2.89Å; K172-Y181 CarbonylContact O-C 3.48Å; K172-Y181 WeakPolarHBondContact O-CA 3.4Å; H173-Y181 HydrophobicContact CB-CD1 4.37Å; H173-Y181 HydrophobicContact CB-CE1 4.38Å; H173-Y181 AromaticContact CD2-CD1 3.96Å; H173-Y181 AromaticContact CD2-CE1 3.5Å; H173-Y181 VanDerWaalsContact CD2-CE1 3.5Å; H173-Y181 WeakPolarHBondContact CD2-CE1 3.2Å; C179-Y181 HydrophobicContact CB-CE2 4Å; C179-Y181 WeakPolarHBondContact O-CD2 3.39Å; C179-Y181 WeakPolarHBondContact O-CE2 3.28Å; Y181-R214 PolarHBondContact N-O 3.3Å; Y181-F215 AromaticContact CD2-CD1 3.62Å; Y181-F215 HydrophobicContact CD2-CD1 3.62Å; Y181-F215 AromaticContact CD2-CE1 3.31Å; Y181-F215 HydrophobicContact CD2-CE1 3.31Å; Y181-F215 HydrophobicContact CD2-CG 4.44Å; Y181-F215 AromaticContact CD2-CZ 3.93Å; Y181-F215 HydrophobicContact CD2-CZ 3.93Å; Y181-F215 AromaticContact CE2-CE1 3.81Å; Y181-F215 HydrophobicContact CE2-CE1 3.81Å; Y181-F215 HydrophobicContact CE2-CZ 4.14Å; Y181-F215 HydrophobicContact CG-CD1 4.28Å; Y181-F215 HydrophobicContact CG-CE1 4.3Å; Y181-F215 CarbonylContact O-C 3.35Å; Y181-F215 WeakPolarHBondContact O-CA 3.41Å; Y181-I216 PolarHBondContact O-N 3.07Å |
| 182 | E | 85.2 | Confident | 67.3 | Low | 34 Ų | 34 | 79.5 Ų | 79.5 | 16% | 0.159 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.7 | 175.9 | -164.4 | -179.6 | -157.2 | 0 | 0 | 110.5 | K172 H184 I216 K218 | K172-E182 HydrophobicContact CB-CB 4.31Å; K172-E182 WeakPolarHBondContact CB-O 3.2Å; K172-E182 PolarHBondContact N-O 2.8Å; K172-E182 PolarHBondContact O-N 2.86Å; E182-H184 VanDerWaalsContact CD-CE1 3.45Å; E182-H184 VanDerWaalsContact CG-NE2 3.28Å; E182-H184 WeakPolarHBondContact CG-NE2 3.31Å; E182-H184 IonicContact OE1-CE1 3.69Å; E182-H184 PolarHBondContact OE1-CE1 2.92Å; E182-H184 VanDerWaalsContact OE1-CE1 3.3Å; E182-H184 IonicContact OE1-NE2 2.71Å; E182-H184 PolarHBondContact OE1-NE2 3.3Å; E182-H184 IonicContact OE2-CD2 2.84Å; E182-H184 IonicContact OE2-CE1 2.81Å; E182-H184 IonicContact OE2-NE2 3.17Å; E182-H184 PolarHBondContact OE2-NE2 2.69Å; E182-I216 CarbonylContact C-O 3.46Å; E182-I216 VanDerWaalsContact CA-O 3.29Å; E182-I216 WeakPolarHBondContact CA-O 3.16Å; E182-I216 HydrophobicContact CG-CB 4.21Å; E182-I216 HydrophobicContact CG-CG2 4.4Å; E182-K218 WeakPolarHBondContact OE1-CD 3.37Å; E182-K218 WeakPolarHBondContact OE1-CE 3.4Å; E182-K218 IonicContact OE1-NZ 3.81Å; E182-K218 PolarHBondContact OE1-NZ 2.9Å |
| 183 | F | 83.5 | Confident | 66.7 | Low | 7 Ų | 7 | 77 Ų | 77 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.1 | 179.8 | -54.9 | -86.7 | 0 | 0 | 0 | 108.3 | F198 F215 I216 F217 K218 Y314 F316 | F183-F198 HydrophobicContact CZ-CB 4.3Å; F183-F215 HydrophobicContact CE2-CB 4.33Å; F183-F215 HydrophobicContact CE2-CD1 4.01Å; F183-F215 HydrophobicContact CZ-CD1 4.43Å; F183-I216 PolarHBondContact N-O 2.91Å; F183-F217 HydrophobicContact CB-CD1 3.8Å; F183-F217 HydrophobicContact CB-CE1 4.25Å; F183-F217 AromaticContact CD2-CD1 3.64Å; F183-F217 HydrophobicContact CD2-CD1 3.64Å; F183-F217 AromaticContact CD2-CE1 3.35Å; F183-F217 HydrophobicContact CD2-CE1 3.35Å; F183-F217 HydrophobicContact CD2-CG 4.39Å; F183-F217 AromaticContact CD2-CZ 3.94Å; F183-F217 HydrophobicContact CD2-CZ 3.94Å; F183-F217 AromaticContact CE2-CE1 3.85Å; F183-F217 HydrophobicContact CE2-CE1 3.85Å; F183-F217 HydrophobicContact CE2-CZ 4.08Å; F183-F217 AromaticContact CG-CD1 3.96Å; F183-F217 HydrophobicContact CG-CD1 3.96Å; F183-F217 AromaticContact CG-CE1 3.9Å; F183-F217 HydrophobicContact CG-CE1 3.9Å; F183-F217 WeakPolarHBondContact O-CA 3.48Å; F183-K218 PolarHBondContact O-N 3.1Å; F183-Y314 HydrophobicContact CB-CE1 4.39Å; F183-Y314 HydrophobicContact CB-CE2 4.16Å; F183-Y314 HydrophobicContact CD1-CD1 4.44Å; F183-Y314 AromaticContact CD1-CE1 3.47Å; F183-Y314 HydrophobicContact CD1-CE1 3.47Å; F183-Y314 VanDerWaalsContact CD1-CE1 3.47Å; F183-Y314 AromaticContact CD1-CZ 3.51Å; F183-Y314 VanDerWaalsContact CD1-OH 3.32Å; F183-Y314 WeakPolarHBondContact CD1-OH 3.37Å; F183-Y314 AromaticContact CE1-CE1 3.81Å; F183-Y314 HydrophobicContact CE1-CE1 3.81Å; F183-Y314 AromaticContact CG-CE1 3.9Å; F183-Y314 HydrophobicContact CG-CE1 3.9Å; F183-Y314 AromaticContact CG-CZ 3.91Å; F183-F316 HydrophobicContact CB-CZ 4.32Å |
| 184 | H | 83.2 | Confident | 66.8 | Low | 89 Ų | 89 | 77.6 Ų | 77.6 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 140.4 | 178.4 | -66.7 | -98.7 | 0 | 0 | 0 | 110.1 | E182 S186 K218 | E182-H184 VanDerWaalsContact CD-CE1 3.45Å; E182-H184 VanDerWaalsContact CG-NE2 3.28Å; E182-H184 WeakPolarHBondContact CG-NE2 3.31Å; E182-H184 IonicContact OE1-CE1 3.69Å; E182-H184 PolarHBondContact OE1-CE1 2.92Å; E182-H184 VanDerWaalsContact OE1-CE1 3.3Å; E182-H184 IonicContact OE1-NE2 2.71Å; E182-H184 PolarHBondContact OE1-NE2 3.3Å; E182-H184 IonicContact OE2-CD2 2.84Å; E182-H184 IonicContact OE2-CE1 2.81Å; E182-H184 IonicContact OE2-NE2 3.17Å; E182-H184 PolarHBondContact OE2-NE2 2.69Å; H184-S186 PolarHBondContact O-N 2.64Å; H184-K218 WeakPolarHBondContact CA-O 3.41Å |
| 185 | Y | 81.5 | Confident | 67 | Low | 45 Ų | 45 | 78.1 Ų | 78.1 | 18% | 0.176 | 39% | 0.391 | C | S | . | . | trans | -57.5 | 125.7 | 163.5 | 170.2 | -97.9 | 0 | 0 | 0 | 109.8 | K187 N194 K218 N220 F316 | Y185-K187 HydrophobicContact CE1-CB 4.29Å; Y185-N194 WeakPolarHBondContact CE2-OD1 3.49Å; Y185-K218 PolarHBondContact N-O 3.34Å; Y185-N220 HydrophobicContact CD1-CB 4.41Å; Y185-N220 VanDerWaalsContact CD1-ND2 3.26Å; Y185-N220 WeakPolarHBondContact CD1-ND2 3.27Å; Y185-N220 WeakPolarHBondContact CE1-ND2 3.45Å; Y185-F316 HydrophobicContact CD2-CB 3.84Å; Y185-F316 HydrophobicContact CD2-CD2 4.23Å; Y185-F316 HydrophobicContact CD2-CG 4.23Å | ||
| 186 | S | 69.4 | Low | 67.3 | Low | 53 Ų | 53 | 72.3 Ų | 72.3 | 37% | 0.371 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -128.9 | 123.6 | 177.7 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | H184 L188 T193 | H184-S186 PolarHBondContact O-N 2.64Å; S186-L188 PolarHBondContact O-N 3.47Å; S186-T193 PolarHBondContact O-OG1 2.75Å |
| 187 | K | 61.5 | Low | 67.6 | Low | 174 Ų | 174 | 66.6 Ų | 66.6 | 76% | 0.757 | 33% | 0.334 | S | S | * | . | trans | -86.3 | 78.4 | 176 | -165.8 | 179.1 | -175.6 | -178.8 | 0 | 109.1 | Y185 | Y185-K187 HydrophobicContact CE1-CB 4.29Š| ||
| 188 | L | 52.6 | Low | 68 | Low | 84 Ų | 84 | 65.3 Ų | 65.3 | 44% | 0.44 | 33% | 0.326 | S | S | . | . | trans | -70.7 | 147.3 | 173.7 | -78.6 | 158.7 | 0 | 0 | 0 | 111.2 | S186 N190 H191 T193 | S186-L188 PolarHBondContact O-N 3.47Å; L188-N190 PolarHBondContact O-N 2.99Å; L188-N190 VanDerWaalsContact O-N 3.08Å; L188-H191 PolarHBondContact O-N 3.42Å; L188-T193 HydrophobicContact CD1-CG2 3.43Å; L188-T193 VanDerWaalsContact CD1-CG2 3.43Å | ||
| 189 | L | 49.2 | Very low | 68.4 | Low | 176 Ų | 176 | 62.9 Ų | 62.9 | 92% | 0.921 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.6 | -173.6 | -77.7 | 115.2 | 0 | 0 | 0 | 114.7 | ||
| 190 | N | 46.7 | Very low | 68.7 | Low | 153 Ų | 153 | 63 Ų | 63 | 82% | 0.818 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | 50.1 | -177.4 | -71.2 | -7.5 | 0 | 0 | 0 | 112.7 | L188 | L188-N190 PolarHBondContact O-N 2.99Å; L188-N190 VanDerWaalsContact O-N 3.08Å |
| 191 | H | 39.4 | Very low | 68.3 | Low | 169 Ų | 169 | 62.5 Ų | 62.5 | 78% | 0.782 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 90 | -177.7 | -74.5 | -90.4 | 0 | 0 | 0 | 114.1 | L188 | L188-H191 PolarHBondContact O-N 3.42Š|
| 192 | T | 44.9 | Very low | 67.5 | Low | 60 Ų | 60 | 65.4 Ų | 65.4 | 37% | 0.368 | 32% | 0.322 | S | S | . | . | trans | 56 | 97.2 | 139.7 | 55.8 | 0 | 0 | 0 | 0 | 116.8 | N194 | T192-N194 VanDerWaalsContact CB-CG 3.47Å; T192-N194 VanDerWaalsContact CB-OD1 3.25Å; T192-N194 WeakPolarHBondContact CB-OD1 3.31Å; T192-N194 PolarHBondContact O-N 2.78Å | ||
| 193 | T | 53.1 | Low | 66.6 | Low | 35 Ų | 35 | 65.5 Ų | 65.5 | 22% | 0.215 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 65.3 | 153.5 | 49.3 | 0 | 0 | 0 | 0 | 108.5 | S186 L188 | S186-T193 PolarHBondContact O-OG1 2.75Å; L188-T193 HydrophobicContact CD1-CG2 3.43Å; L188-T193 VanDerWaalsContact CD1-CG2 3.43Å |
| 194 | N | 69.7 | Low | 65.5 | Low | 32 Ų | 32 | 65.8 Ų | 65.8 | 17% | 0.171 | 32% | 0.324 | C | S | . | . | trans | -77.8 | -17 | 172.9 | -74.6 | 9 | 0 | 0 | 0 | 110.4 | Y185 T192 E315 F316 | Y185-N194 WeakPolarHBondContact CE2-OD1 3.49Å; T192-N194 VanDerWaalsContact CB-CG 3.47Å; T192-N194 VanDerWaalsContact CB-OD1 3.25Å; T192-N194 WeakPolarHBondContact CB-OD1 3.31Å; T192-N194 PolarHBondContact O-N 2.78Å; N194-E315 HydrophobicContact CB-CG 4.39Å; N194-E315 CarbonylContact O-C 3.49Å; N194-E315 WeakPolarHBondContact O-CA 3.3Å; N194-E315 WeakPolarHBondContact O-CG 3.4Å; N194-F316 HydrophobicContact CB-CB 4.42Å; N194-F316 WeakPolarHBondContact CB-O 3.36Å; N194-F316 PolarHBondContact ND2-O 2.92Å; N194-F316 PolarHBondContact O-N 2.84Å | ||
| 195 | Y | 72.2 | Confident | 64.6 | Low | 111 Ų | 111 | 64 Ų | 64 | 44% | 0.435 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.3 | -170.3 | 174.9 | -93.6 | 0 | 0 | 0 | 111.5 | T313 Y314 E315 | Y195-T313 HydrophobicContact CE1-CG2 4.47Å; Y195-T313 HydrophobicContact CE2-CG2 4.02Å; Y195-T313 WeakPolarHBondContact OH-CG2 3.14Å; Y195-Y314 CarbonylContact C-O 3.37Å; Y195-Y314 VanDerWaalsContact CA-O 3.26Å; Y195-Y314 WeakPolarHBondContact CA-O 3.17Å; Y195-Y314 WeakPolarHBondContact CD2-O 3.24Å; Y195-E315 HydrophobicContact CD2-CB 4.19Å; Y195-E315 HydrophobicContact CD2-CG 4.39Å |
| 196 | G | 72 | Confident | 64 | Low | 4 Ų | 4 | 66 Ų | 66 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | -177.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T313 Y314 | G196-T313 CarbonylContact O-C 3.58Å; G196-T313 WeakPolarHBondContact O-CA 3.35Å; G196-T313 WeakPolarHBondContact O-CB 3.47Å; G196-Y314 VanDerWaalsContact C-CE1 3.49Å; G196-Y314 VanDerWaalsContact CA-CE1 3.48Å; G196-Y314 PolarHBondContact N-O 2.82Å; G196-Y314 PolarHBondContact O-N 2.81Å |
| 197 | N | 72.4 | Confident | 64.4 | Low | 29 Ų | 29 | 63.4 Ų | 63.4 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.5 | 179.1 | -54.3 | -105.8 | 0 | 0 | 0 | 108.8 | Y136 F199 G312 T313 | Y136-N197 HydrophobicContact CE1-CB 4.28Å; Y136-N197 VanDerWaalsContact OH-CB 3.31Å; Y136-N197 WeakPolarHBondContact OH-CB 2.97Å; Y136-N197 VanDerWaalsContact OH-CG 3.24Å; Y136-N197 PolarHBondContact OH-ND2 2.83Å; N197-F199 HydrophobicContact CB-CE2 3.41Å; N197-F199 VanDerWaalsContact CB-CE2 3.41Å; N197-F199 HydrophobicContact CB-CZ 3.59Å; N197-G312 CarbonylContact C-O 3.51Å; N197-G312 VanDerWaalsContact CA-O 3.31Å; N197-G312 WeakPolarHBondContact CA-O 3.42Å; N197-T313 HydrophobicContact CB-CG2 4.42Å; N197-T313 VanDerWaalsContact OD1-CG2 3.22Å; N197-T313 WeakPolarHBondContact OD1-CG2 3.4Å |
| 198 | F | 78.3 | Confident | 65.1 | Low | 3 Ų | 3 | 55.9 Ų | 55.9 | 1% | 0.013 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.2 | 176.5 | 70.4 | -84.6 | 0 | 0 | 0 | 109.9 | F183 F215 F217 L227 F229 L296 F310 G312 T313 Y314 | F183-F198 HydrophobicContact CZ-CB 4.3Å; F198-F215 HydrophobicContact CB-CD1 4.43Å; F198-F217 HydrophobicContact CB-CZ 4.38Å; F198-F217 HydrophobicContact CD1-CE1 4.45Å; F198-F217 HydrophobicContact CD1-CZ 4.17Å; F198-F217 HydrophobicContact CD2-CZ 4.46Å; F198-F217 HydrophobicContact CG-CZ 4.09Å; F198-L227 HydrophobicContact CE1-CD2 4.04Å; F198-L227 HydrophobicContact CZ-CD2 4.47Å; F198-F229 HydrophobicContact CE2-CD1 4.09Å; F198-F229 AromaticContact CE2-CE1 3.59Å; F198-F229 HydrophobicContact CE2-CE1 3.59Å; F198-F229 HydrophobicContact CE2-CZ 4.03Å; F198-F229 HydrophobicContact CZ-CD1 4.03Å; F198-F229 AromaticContact CZ-CE1 3.82Å; F198-F229 HydrophobicContact CZ-CE1 3.82Å; F198-F229 HydrophobicContact CZ-CE2 4.39Å; F198-F229 HydrophobicContact CZ-CG 4.44Å; F198-F229 HydrophobicContact CZ-CZ 4.03Å; F198-L296 HydrophobicContact CD2-CD1 4.22Å; F198-L296 HydrophobicContact CE2-CD1 3.55Å; F198-L296 HydrophobicContact CZ-CD1 4.17Å; F198-F310 HydrophobicContact CD2-CD2 4.23Å; F198-F310 AromaticContact CD2-CE2 3.8Å; F198-F310 HydrophobicContact CD2-CE2 3.8Å; F198-F310 HydrophobicContact CE2-CD2 4.04Å; F198-F310 AromaticContact CE2-CE2 3.9Å; F198-F310 HydrophobicContact CE2-CE2 3.9Å; F198-G312 VanDerWaalsContact CD1-C 3.47Å; F198-G312 WeakPolarHBondContact CD1-O 3.49Å; F198-G312 PolarHBondContact N-O 2.89Å; F198-G312 PolarHBondContact O-N 2.04Å; F198-G312 VanDerWaalsContact O-O 3.11Å; F198-T313 WeakPolarHBondContact CE1-O 3.44Å; F198-Y314 HydrophobicContact CD1-CD1 4.17Å |
| 199 | F | 79 | Confident | 66.5 | Low | 25 Ų | 25 | 53.1 Ų | 53.1 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 154.9 | -167.5 | -54.9 | -97.6 | 0 | 0 | 0 | 111.2 | Y136 N197 Y203 F215 F310 H311 | Y136-F199 HydrophobicContact CD1-CD2 4.45Å; Y136-F199 AromaticContact CD1-CE2 3.98Å; Y136-F199 HydrophobicContact CD1-CE2 3.98Å; Y136-F199 AromaticContact CD2-CD2 3.81Å; Y136-F199 HydrophobicContact CD2-CD2 3.81Å; Y136-F199 HydrophobicContact CD2-CE1 4.3Å; Y136-F199 AromaticContact CD2-CE2 3.29Å; Y136-F199 HydrophobicContact CD2-CE2 3.29Å; Y136-F199 AromaticContact CD2-CZ 3.59Å; Y136-F199 HydrophobicContact CD2-CZ 3.59Å; Y136-F199 AromaticContact CE1-CE2 3.74Å; Y136-F199 HydrophobicContact CE1-CE2 3.74Å; Y136-F199 HydrophobicContact CE1-CZ 4.42Å; Y136-F199 HydrophobicContact CE2-CD2 4.08Å; Y136-F199 HydrophobicContact CE2-CE1 4.03Å; Y136-F199 AromaticContact CE2-CE2 3.1Å; Y136-F199 HydrophobicContact CE2-CE2 3.1Å; Y136-F199 AromaticContact CE2-CZ 3.08Å; Y136-F199 HydrophobicContact CE2-CZ 3.08Å; Y136-F199 HydrophobicContact CG-CD2 4.05Å; Y136-F199 AromaticContact CG-CE2 3.77Å; Y136-F199 HydrophobicContact CG-CE2 3.77Å; Y136-F199 HydrophobicContact CG-CZ 4.49Å; Y136-F199 AromaticContact CZ-CE2 3.33Å; Y136-F199 AromaticContact CZ-CZ 3.56Å; N197-F199 HydrophobicContact CB-CE2 3.41Å; N197-F199 VanDerWaalsContact CB-CE2 3.41Å; N197-F199 HydrophobicContact CB-CZ 3.59Å; F199-Y203 AromaticContact CD1-CD1 3.52Å; F199-Y203 HydrophobicContact CD1-CD1 3.52Å; F199-Y203 HydrophobicContact CD1-CE1 4.18Å; F199-Y203 HydrophobicContact CD1-CG 4.01Å; F199-Y203 HydrophobicContact CE1-CD1 4.03Å; F199-Y203 HydrophobicContact CE1-CE1 4.36Å; F199-F215 VanDerWaalsContact O-CE1 3.29Å; F199-F215 WeakPolarHBondContact O-CE1 3.33Å; F199-F215 WeakPolarHBondContact O-CZ 3.38Å; F199-F310 CarbonylContact C-O 3.55Å; F199-F310 VanDerWaalsContact CA-O 3.27Å; F199-F310 WeakPolarHBondContact CA-O 3.21Å; F199-H311 HydrophobicContact CD1-CB 3.65Å; F199-H311 AromaticContact CD1-CD2 3.53Å; F199-H311 AromaticContact CD1-CG 3.83Å; F199-H311 HydrophobicContact CE1-CB 3.77Å; F199-H311 AromaticContact CE1-CD2 2.88Å; F199-H311 WeakPolarHBondContact CE1-CD2 3.05Å; F199-H311 AromaticContact CE1-CG 3.41Å; F199-H311 VanDerWaalsContact CE1-CG 3.41Å; F199-H311 AromaticContact CE1-NE2 3.66Å; F199-H311 AromaticContact CZ-CD2 3.25Å; F199-H311 WeakPolarHBondContact CZ-CD2 3.05Å; F199-H311 AromaticContact CZ-NE2 3.7Å |
| 200 | S | 83.6 | Confident | 68 | Low | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | trans | -64.9 | 154.5 | 159.7 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | Y202 Y203 G309 F310 | S200-Y202 PolarHBondContact O-N 3.28Å; S200-Y203 WeakPolarHBondContact O-CB 3.28Å; S200-Y203 PolarHBondContact O-N 2.94Å; S200-G309 VanDerWaalsContact OG-CA 3.25Å; S200-G309 WeakPolarHBondContact OG-CA 2.99Å; S200-F310 VanDerWaalsContact N-CE2 3.28Å; S200-F310 PolarHBondContact N-O 2.95Å; S200-F310 PolarHBondContact OG-N 3.4Å; S200-F310 PolarHBondContact OG-O 2.8Å | ||
| 201 | P | 73.7 | Confident | 69.8 | Low | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 141.3 | 171.3 | -24.4 | 34.3 | 0 | 0 | 0 | 111.3 | C179 Y203 P208 I211 C213 | C179-P201 HydrophobicContact CB-CG 3.66Å; P201-Y203 PolarHBondContact O-N 2.69Å; P201-P208 HydrophobicContact CB-CG 4.23Å; P201-I211 HydrophobicContact CG-CD1 4.08Å; P201-C213 WeakPolarHBondContact CG-SG 3.25Å |
| 202 | Y | 67.3 | Low | 72.2 | Confident | 78 Ų | 78 | 40.8 Ų | 40.8 | 31% | 0.306 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 5.4 | -178.4 | -52.2 | -53.6 | 0 | 0 | 0 | 117.4 | T84 Y121 S200 S205 P208 | T84-Y202 HydrophobicContact CG2-CD1 3.54Å; T84-Y202 HydrophobicContact CG2-CE1 3.14Å; Y121-Y202 PolarHBondContact OH-O 2.6Å; S200-Y202 PolarHBondContact O-N 3.28Å; Y202-S205 CarbonylContact O-C 3.54Å; Y202-S205 VanDerWaalsContact O-CA 3.28Å; Y202-S205 WeakPolarHBondContact O-CA 3.45Å; Y202-S205 WeakPolarHBondContact O-CB 3.2Å; Y202-S205 PolarHBondContact O-N 3.48Å; Y202-P208 HydrophobicContact CD2-CG 3.79Å; Y202-P208 HydrophobicContact CE2-CB 4.44Å; Y202-P208 HydrophobicContact CE2-CG 3.49Å; Y202-P208 VanDerWaalsContact CE2-CG 3.49Å |
| 203 | Y | 66.2 | Low | 74.3 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 14% | 0.137 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 131.2 | 178.3 | -174.1 | -86.4 | 0 | 0 | 0 | 111.9 | Y121 Q132 F199 S200 P201 Q308 F310 H311 | Y121-Y203 PolarHBondContact OH-O 2.83Å; Q132-Y203 VanDerWaalsContact OE1-CD1 3.3Å; F199-Y203 AromaticContact CD1-CD1 3.52Å; F199-Y203 HydrophobicContact CD1-CD1 3.52Å; F199-Y203 HydrophobicContact CD1-CE1 4.18Å; F199-Y203 HydrophobicContact CD1-CG 4.01Å; F199-Y203 HydrophobicContact CE1-CD1 4.03Å; F199-Y203 HydrophobicContact CE1-CE1 4.36Å; S200-Y203 WeakPolarHBondContact O-CB 3.28Å; S200-Y203 PolarHBondContact O-N 2.94Å; P201-Y203 PolarHBondContact O-N 2.69Å; Y203-Q308 WeakPolarHBondContact CD2-O 3.36Å; Y203-Q308 HydrophobicContact CE2-CG 4.45Å; Y203-F310 WeakPolarHBondContact CD2-O 3.48Å; Y203-H311 HydrophobicContact CD1-CB 3.96Å; Y203-H311 HydrophobicContact CD2-CB 4.38Å; Y203-H311 HydrophobicContact CE1-CB 3.47Å; Y203-H311 VanDerWaalsContact CE1-CB 3.47Å; Y203-H311 HydrophobicContact CE2-CB 3.94Å; Y203-H311 HydrophobicContact CG-CB 4.38Å; Y203-H311 VanDerWaalsContact CZ-CB 3.47Å |
| 204 | P | 59.9 | Low | 76.1 | Confident | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -98.8 | 17.4 | 16.2 | 40.1 | -29.5 | 0 | 0 | 0 | 113.1 | Y121 P131 Q132 Q308 | Y121-P204 WeakPolarHBondContact OH-CD 3.24Å; P131-P204 HydrophobicContact CG-CG 3.89Å; Q132-P204 HydrophobicContact CG-CG 4.1Å; Q132-P204 VanDerWaalsContact OE1-CG 3.32Å; P204-Q308 WeakPolarHBondContact O-CG 3.28Å; P204-Q308 PolarHBondContact O-NE2 3Å |
| 205 | S | 63.1 | Low | 77.1 | Confident | 52 Ų | 52 | 36.6 Ų | 36.6 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -82.6 | 171 | 167.1 | -61.3 | 0 | 0 | 0 | 0 | 110.3 | Y202 Y207 Q308 | Y202-S205 CarbonylContact O-C 3.54Å; Y202-S205 VanDerWaalsContact O-CA 3.28Å; Y202-S205 WeakPolarHBondContact O-CA 3.45Å; Y202-S205 WeakPolarHBondContact O-CB 3.2Å; Y202-S205 PolarHBondContact O-N 3.48Å; S205-Y207 PolarHBondContact O-N 2.9Å; S205-Q308 VanDerWaalsContact O-O 3.06Å |
| 206 | N | 70.2 | Confident | 78.1 | Confident | 85 Ų | 85 | 32.7 Ų | 32.7 | 46% | 0.455 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -65.4 | 135.5 | -178.1 | -63.2 | -25.6 | 0 | 0 | 0 | 112.2 | Y305 G307 | N206-Y305 HydrophobicContact CB-CD1 4.24Å; N206-G307 WeakPolarHBondContact CA-O 3.3Å; N206-G307 WeakPolarHBondContact CB-O 3.22Å; N206-G307 PolarHBondContact OD1-O 2.62Å |
| 207 | Y | 78.3 | Confident | 79 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 153.9 | 175.2 | 59.4 | -95.2 | 0 | 0 | 0 | 112 | S205 L234 K235 D260 F298 Y305 G307 | S205-Y207 PolarHBondContact O-N 2.9Å; Y207-L234 HydrophobicContact CE1-CD2 3.8Å; Y207-K235 PolarHBondContact OH-N 2.87Å; Y207-K235 VanDerWaalsContact OH-N 3.12Å; Y207-D260 WeakPolarHBondContact CE2-OD2 3.17Å; Y207-D260 PolarHBondContact OH-OD2 3.06Å; Y207-F298 HydrophobicContact CD1-CZ 4.05Å; Y207-F298 AromaticContact CD2-CE1 3.92Å; Y207-F298 HydrophobicContact CD2-CE1 3.92Å; Y207-F298 AromaticContact CD2-CZ 3.47Å; Y207-F298 HydrophobicContact CD2-CZ 3.47Å; Y207-F298 VanDerWaalsContact CD2-CZ 3.47Å; Y207-F298 HydrophobicContact CE1-CZ 4.2Å; Y207-F298 AromaticContact CE2-CZ 3.69Å; Y207-F298 HydrophobicContact CE2-CZ 3.69Å; Y207-F298 AromaticContact CG-CE1 3.98Å; Y207-F298 HydrophobicContact CG-CE1 3.98Å; Y207-F298 AromaticContact CG-CZ 3.67Å; Y207-F298 HydrophobicContact CG-CZ 3.67Å; Y207-Y305 WeakPolarHBondContact O-CD1 3.14Å; Y207-G307 WeakPolarHBondContact CD1-O 3.26Å; Y207-G307 VanDerWaalsContact CE1-C 3.5Å; Y207-G307 VanDerWaalsContact CE1-O 3.28Å; Y207-G307 WeakPolarHBondContact CE1-O 3.41Å; Y207-G307 PolarHBondContact N-O 3.2Å |
| 208 | P | 75.6 | Confident | 79.8 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 10% | 0.097 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 143.5 | 178.2 | -10.8 | 19.4 | 0 | 0 | 0 | 114.2 | P201 Y202 I211 S300 | P201-P208 HydrophobicContact CB-CG 4.23Å; Y202-P208 HydrophobicContact CD2-CG 3.79Å; Y202-P208 HydrophobicContact CE2-CB 4.44Å; Y202-P208 HydrophobicContact CE2-CG 3.49Å; Y202-P208 VanDerWaalsContact CE2-CG 3.49Å; P208-I211 HydrophobicContact CB-CB 4.21Å; P208-I211 HydrophobicContact CB-CD1 4.18Å; P208-I211 HydrophobicContact CB-CG2 4.2Å; P208-I211 HydrophobicContact CG-CD1 3.7Å; P208-I211 HydrophobicContact CG-CG2 4.34Å; P208-I211 VanDerWaalsContact O-CG2 3.22Å; P208-I211 WeakPolarHBondContact O-CG2 3.28Å; P208-S300 PolarHBondContact O-OG 3.17Å |
| 209 | P | 81.8 | Confident | 80.4 | Confident | 27 Ų | 27 | 35.2 Ų | 35.2 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | 157.3 | 166.6 | 31.3 | -35.6 | 0 | 0 | 0 | 110.3 | I211 S302 Y305 | P209-I211 PolarHBondContact O-N 3.36Å; P209-I211 VanDerWaalsContact O-N 3.16Å; P209-S302 WeakPolarHBondContact CA-O 3.05Å; P209-S302 WeakPolarHBondContact CB-O 3.23Å; P209-Y305 VanDerWaalsContact CD-CE2 3.41Å; P209-Y305 HydrophobicContact CG-CD2 4.06Å; P209-Y305 HydrophobicContact CG-CE1 4.43Å; P209-Y305 HydrophobicContact CG-CE2 3.75Å; P209-Y305 HydrophobicContact CG-CG 4.49Å |
| 210 | N | 81.7 | Confident | 80.8 | Confident | 110 Ų | 110 | 37.9 Ų | 37.9 | 59% | 0.588 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 33.8 | 172.9 | -58.3 | -36.9 | 0 | 0 | 0 | 114.9 | S300 R301 S302 | N210-S300 CarbonylContact C-O 3.59Å; N210-S300 WeakPolarHBondContact CA-O 3.35Å; N210-S300 PolarHBondContact N-O 3.35Å; N210-S300 PolarHBondContact N-OG 2.79Å; N210-R301 PolarHBondContact OD1-O 3.33Å; N210-S302 PolarHBondContact N-O 2.93Å; N210-S302 PolarHBondContact OD1-O 3.25Å |
| 211 | I | 83.2 | Confident | 81 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | trans | -107.2 | 146.7 | 179.6 | -164.2 | 167.3 | 0 | 0 | 0 | 111.9 | L178 C179 P201 P208 P209 F298 S300 | L178-I211 HydrophobicContact CD2-CD1 3.28Å; L178-I211 HydrophobicContact CD2-CG1 3.95Å; L178-I211 HydrophobicContact CG-CD1 3.83Å; C179-I211 HydrophobicContact CB-CD1 4.41Å; C179-I211 WeakPolarHBondContact SG-CD1 3.26Å; P201-I211 HydrophobicContact CG-CD1 4.08Å; P208-I211 HydrophobicContact CB-CB 4.21Å; P208-I211 HydrophobicContact CB-CD1 4.18Å; P208-I211 HydrophobicContact CB-CG2 4.2Å; P208-I211 HydrophobicContact CG-CD1 3.7Å; P208-I211 HydrophobicContact CG-CG2 4.34Å; P208-I211 VanDerWaalsContact O-CG2 3.22Å; P208-I211 WeakPolarHBondContact O-CG2 3.28Å; P209-I211 PolarHBondContact O-N 3.36Å; P209-I211 VanDerWaalsContact O-N 3.16Å; I211-F298 HydrophobicContact CG2-CE1 4.09Å; I211-S300 PolarHBondContact N-O 2.85Å; I211-S300 WeakPolarHBondContact O-CB 3.46Å; I211-S300 PolarHBondContact O-N 3Å | ||
| 212 | K | 89.6 | Confident | 81.5 | Confident | 116 Ų | 116 | 49.9 Ų | 49.9 | 50% | 0.504 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.3 | 169.9 | -178.8 | 174.1 | -177.9 | 179.3 | 0 | 108.9 | F298 I299 | K212-F298 WeakPolarHBondContact CA-O 3.38Å; K212-I299 HydrophobicContact CG-CG1 4.23Å |
| 213 | C | 89.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.3 | 179.3 | -55 | 0 | 0 | 0 | 0 | 109.8 | C179 P201 F215 D297 F298 | C179-C213 HydrophobicContact CB-CB 3.79Å; C179-C213 WeakPolarHBondContact CB-SG 2.94Å; C179-C213 WeakPolarHBondContact O-CB 3.31Å; C179-C213 WeakPolarHBondContact SG-CA 3.14Å; C179-C213 WeakPolarHBondContact SG-CB 3.34Å; C179-C213 CovalentContact SG-SG 2.02Å; C179-C213 PolarHBondContact SG-SG 2.95Å; P201-C213 WeakPolarHBondContact CG-SG 3.25Å; C213-F215 HydrophobicContact CB-CD2 4.48Å; C213-F215 HydrophobicContact CB-CE2 3.62Å; C213-F215 HydrophobicContact CB-CZ 4.15Å; C213-D297 WeakPolarHBondContact O-CA 3.25Å; C213-F298 HydrophobicContact CB-CB 4.28Å; C213-F298 HydrophobicContact CB-CD1 4.38Å; C213-F298 PolarHBondContact N-O 2.02Å; C213-F298 PolarHBondContact O-N 3.16Å |
| 214 | R | 91.7 | Very high | 83.1 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 14% | 0.143 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.9 | 179.8 | -172.1 | -176.1 | -60 | 173.6 | 9.4 | 110.6 | D180 Y181 I216 R295 D297 E339 | D180-R214 CarbonylContact C-O 3.57Å; D180-R214 VanDerWaalsContact CA-O 3.23Å; D180-R214 WeakPolarHBondContact CA-O 3.41Å; D180-R214 HydrophobicContact CB-CB 4.31Å; D180-R214 WeakPolarHBondContact OD1-CB 3.48Å; D180-R214 PolarHBondContact OD1-N 3.12Å; Y181-R214 PolarHBondContact N-O 3.3Å; R214-I216 HydrophobicContact CG-CD1 4.41Å; R214-I216 HydrophobicContact CG-CG1 4.03Å; R214-R295 HydrophobicContact CG-CG 4.29Å; R214-D297 IonicContact NE-OD1 3.54Å; R214-E339 IonicContact CZ-OE1 3.1Å; R214-E339 IonicContact NH1-OE1 2.87Å; R214-E339 PolarHBondContact NH1-OE1 2.88Å; R214-E339 IonicContact NH2-OE1 2.95Å |
| 215 | F | 91 | Very high | 84.4 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118.8 | 175.8 | -52.9 | -108.9 | 0 | 0 | 0 | 108.2 | Y181 F183 F198 F199 C213 F217 R295 L296 F298 F310 | Y181-F215 AromaticContact CD2-CD1 3.62Å; Y181-F215 HydrophobicContact CD2-CD1 3.62Å; Y181-F215 AromaticContact CD2-CE1 3.31Å; Y181-F215 HydrophobicContact CD2-CE1 3.31Å; Y181-F215 HydrophobicContact CD2-CG 4.44Å; Y181-F215 AromaticContact CD2-CZ 3.93Å; Y181-F215 HydrophobicContact CD2-CZ 3.93Å; Y181-F215 AromaticContact CE2-CE1 3.81Å; Y181-F215 HydrophobicContact CE2-CE1 3.81Å; Y181-F215 HydrophobicContact CE2-CZ 4.14Å; Y181-F215 HydrophobicContact CG-CD1 4.28Å; Y181-F215 HydrophobicContact CG-CE1 4.3Å; Y181-F215 CarbonylContact O-C 3.35Å; Y181-F215 WeakPolarHBondContact O-CA 3.41Å; F183-F215 HydrophobicContact CE2-CB 4.33Å; F183-F215 HydrophobicContact CE2-CD1 4.01Å; F183-F215 HydrophobicContact CZ-CD1 4.43Å; F198-F215 HydrophobicContact CB-CD1 4.43Å; F199-F215 VanDerWaalsContact O-CE1 3.29Å; F199-F215 WeakPolarHBondContact O-CE1 3.33Å; F199-F215 WeakPolarHBondContact O-CZ 3.38Å; C213-F215 HydrophobicContact CB-CD2 4.48Å; C213-F215 HydrophobicContact CB-CE2 3.62Å; C213-F215 HydrophobicContact CB-CZ 4.15Å; F215-F217 HydrophobicContact CB-CE2 3.85Å; F215-F217 HydrophobicContact CB-CZ 4.08Å; F215-R295 WeakPolarHBondContact O-CA 3.41Å; F215-L296 HydrophobicContact CB-CB 4.22Å; F215-L296 HydrophobicContact CB-CD2 4.49Å; F215-L296 HydrophobicContact CD2-CD2 3.52Å; F215-L296 HydrophobicContact CE2-CD2 4.06Å; F215-L296 HydrophobicContact CG-CD2 4.26Å; F215-L296 PolarHBondContact N-O 2.9Å; F215-L296 PolarHBondContact O-N 3.22Å; F215-F298 HydrophobicContact CE2-CB 4.41Å; F215-F310 AromaticContact CE2-CZ 3.89Å; F215-F310 HydrophobicContact CE2-CZ 3.89Å; F215-F310 HydrophobicContact CZ-CE2 4.36Å; F215-F310 AromaticContact CZ-CZ 3.99Å; F215-F310 HydrophobicContact CZ-CZ 3.99Å |
| 216 | I | 91.3 | Very high | 85.2 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.2 | -179.8 | -57.5 | 178.4 | 0 | 0 | 0 | 108.8 | Y181 E182 F183 R214 K218 I293 | Y181-I216 PolarHBondContact O-N 3.07Å; E182-I216 CarbonylContact C-O 3.46Å; E182-I216 VanDerWaalsContact CA-O 3.29Å; E182-I216 WeakPolarHBondContact CA-O 3.16Å; E182-I216 HydrophobicContact CG-CB 4.21Å; E182-I216 HydrophobicContact CG-CG2 4.4Å; F183-I216 PolarHBondContact N-O 2.91Å; R214-I216 HydrophobicContact CG-CD1 4.41Å; R214-I216 HydrophobicContact CG-CG1 4.03Å; I216-K218 HydrophobicContact CG2-CD 4.48Å; I216-K218 HydrophobicContact CG2-CG 4.01Å; I216-I293 HydrophobicContact CG2-CG2 4.3Å |
| 217 | F | 91 | Very high | 85.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 119.8 | 177.1 | -55.4 | -91.5 | 0 | 0 | 0 | 108.8 | F183 F198 F215 I225 L227 I293 L294 L296 Y314 F316 | F183-F217 HydrophobicContact CB-CD1 3.8Å; F183-F217 HydrophobicContact CB-CE1 4.25Å; F183-F217 AromaticContact CD2-CD1 3.64Å; F183-F217 HydrophobicContact CD2-CD1 3.64Å; F183-F217 AromaticContact CD2-CE1 3.35Å; F183-F217 HydrophobicContact CD2-CE1 3.35Å; F183-F217 HydrophobicContact CD2-CG 4.39Å; F183-F217 AromaticContact CD2-CZ 3.94Å; F183-F217 HydrophobicContact CD2-CZ 3.94Å; F183-F217 AromaticContact CE2-CE1 3.85Å; F183-F217 HydrophobicContact CE2-CE1 3.85Å; F183-F217 HydrophobicContact CE2-CZ 4.08Å; F183-F217 AromaticContact CG-CD1 3.96Å; F183-F217 HydrophobicContact CG-CD1 3.96Å; F183-F217 AromaticContact CG-CE1 3.9Å; F183-F217 HydrophobicContact CG-CE1 3.9Å; F183-F217 WeakPolarHBondContact O-CA 3.48Å; F198-F217 HydrophobicContact CB-CZ 4.38Å; F198-F217 HydrophobicContact CD1-CE1 4.45Å; F198-F217 HydrophobicContact CD1-CZ 4.17Å; F198-F217 HydrophobicContact CD2-CZ 4.46Å; F198-F217 HydrophobicContact CG-CZ 4.09Å; F215-F217 HydrophobicContact CB-CE2 3.85Å; F215-F217 HydrophobicContact CB-CZ 4.08Å; F217-I225 HydrophobicContact CB-CG1 4.03Å; F217-I225 HydrophobicContact CB-CG2 4Å; F217-I225 HydrophobicContact CG-CG2 4.26Å; F217-L227 HydrophobicContact CD1-CD2 4.2Å; F217-L227 HydrophobicContact CD2-CD1 4.48Å; F217-L227 HydrophobicContact CD2-CD2 4.09Å; F217-L227 HydrophobicContact CE1-CD2 3.97Å; F217-L227 HydrophobicContact CE2-CD1 4.11Å; F217-L227 HydrophobicContact CE2-CD2 3.84Å; F217-L227 HydrophobicContact CG-CD2 4.27Å; F217-L227 HydrophobicContact CZ-CD2 3.77Å; F217-I293 WeakPolarHBondContact O-CA 2.86Å; F217-L294 HydrophobicContact CD2-CD2 4.14Å; F217-L294 PolarHBondContact N-O 2.69Å; F217-L294 PolarHBondContact O-N 2.85Å; F217-L296 HydrophobicContact CE2-CB 4.27Å; F217-Y314 HydrophobicContact CD1-CD1 4.17Å; F217-Y314 HydrophobicContact CD1-CD2 4.12Å; F217-Y314 AromaticContact CD1-CG 3.8Å; F217-Y314 HydrophobicContact CD1-CG 3.8Å; F217-Y314 AromaticContact CE1-CD1 3.56Å; F217-Y314 HydrophobicContact CE1-CD1 3.56Å; F217-Y314 HydrophobicContact CE1-CD2 4.33Å; F217-Y314 HydrophobicContact CE1-CE1 4.27Å; F217-Y314 AromaticContact CE1-CG 3.58Å; F217-Y314 HydrophobicContact CE1-CG 3.58Å; F217-F316 HydrophobicContact CB-CE1 4.27Å |
| 218 | K | 90.7 | Very high | 85.7 | Confident | 74 Ų | 74 | 40.7 Ų | 40.7 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.6 | -178.4 | -69.9 | -175.5 | 178.4 | 171.2 | 0 | 110.9 | E182 F183 H184 Y185 I216 I293 | E182-K218 WeakPolarHBondContact OE1-CD 3.37Å; E182-K218 WeakPolarHBondContact OE1-CE 3.4Å; E182-K218 IonicContact OE1-NZ 3.81Å; E182-K218 PolarHBondContact OE1-NZ 2.9Å; F183-K218 PolarHBondContact O-N 3.1Å; H184-K218 WeakPolarHBondContact CA-O 3.41Å; Y185-K218 PolarHBondContact N-O 3.34Å; I216-K218 HydrophobicContact CG2-CD 4.48Å; I216-K218 HydrophobicContact CG2-CG 4.01Å; K218-I293 HydrophobicContact CG-CG1 4.4Å; K218-I293 HydrophobicContact CG-CG2 4.23Å |
| 219 | A | 89.4 | Confident | 85.7 | Confident | 15 Ų | 15 | 40 Ų | 40 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | trans | -100.8 | 170 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q223 I225 P292 F316 | A219-Q223 HydrophobicContact CB-CB 3.74Å; A219-I225 HydrophobicContact CB-CD1 3.94Å; A219-I225 HydrophobicContact CB-CG1 4.27Å; A219-P292 HydrophobicContact CB-CB 4.23Å; A219-P292 PolarHBondContact N-O 3.19Å; A219-F316 HydrophobicContact CB-CD1 3.62Å; A219-F316 HydrophobicContact CB-CE1 4.07Å; A219-F316 HydrophobicContact CB-CG 4.5Å | ||
| 220 | N | 89.2 | Confident | 85.2 | Confident | 81 Ų | 81 | 41.6 Ų | 41.6 | 43% | 0.433 | 20% | 0.198 | S | C | . | . | trans | -72.6 | 163.3 | 167.9 | -74.5 | -13.2 | 0 | 0 | 0 | 111.6 | Y185 N222 Q223 P292 | Y185-N220 HydrophobicContact CD1-CB 4.41Å; Y185-N220 VanDerWaalsContact CD1-ND2 3.26Å; Y185-N220 WeakPolarHBondContact CD1-ND2 3.27Å; Y185-N220 WeakPolarHBondContact CE1-ND2 3.45Å; N220-N222 VanDerWaalsContact C-N 3.27Å; N220-N222 PolarHBondContact O-N 2.59Å; N220-N222 VanDerWaalsContact O-N 3.11Å; N220-Q223 HydrophobicContact CB-CG 4.34Å; N220-Q223 WeakPolarHBondContact O-CB 2.92Å; N220-Q223 PolarHBondContact O-N 2.82Å; N220-P292 WeakPolarHBondContact O-CB 3.26Å | ||
| 221 | K | 87.6 | Confident | 84.8 | Confident | 192 Ų | 192 | 37.1 Ų | 37.1 | 84% | 0.835 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -37.7 | -173.8 | -171.6 | -179.7 | 177.6 | -175.1 | 0 | 114.9 | Q223 R224 | K221-Q223 VanDerWaalsContact C-N 3.33Å; K221-R224 PolarHBondContact O-NH1 3.19Å |
| 222 | N | 83.8 | Confident | 84.6 | Confident | 72 Ų | 72 | 36.6 Ų | 36.6 | 39% | 0.385 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 12.1 | -179.5 | 65.6 | -24.9 | 0 | 0 | 0 | 113.4 | N220 H318 E319 | N220-N222 VanDerWaalsContact C-N 3.27Å; N220-N222 PolarHBondContact O-N 2.59Å; N220-N222 VanDerWaalsContact O-N 3.11Å; N222-H318 PolarHBondContact ND2-CD2 3.34Å; N222-H318 VanDerWaalsContact ND2-CD2 3.33Å; N222-H318 PolarHBondContact ND2-NE2 2.88Å; N222-H318 PolarHBondContact O-CD2 3.27Å; N222-E319 PolarHBondContact O-N 2.77Å |
| 223 | Q | 85 | Confident | 84.2 | Confident | 13 Ų | 13 | 34.6 Ų | 34.6 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 157 | -179.5 | -66.4 | -175.4 | -51.9 | 0 | 0 | 111.4 | A219 N220 K221 V317 | A219-Q223 HydrophobicContact CB-CB 3.74Å; N220-Q223 HydrophobicContact CB-CG 4.34Å; N220-Q223 WeakPolarHBondContact O-CB 2.92Å; N220-Q223 PolarHBondContact O-N 2.82Å; K221-Q223 VanDerWaalsContact C-N 3.33Å; Q223-V317 CarbonylContact C-O 3.55Å; Q223-V317 WeakPolarHBondContact CA-O 3.43Å; Q223-V317 VanDerWaalsContact CB-O 3.31Å; Q223-V317 WeakPolarHBondContact CB-O 3.32Å |
| 224 | R | 81.8 | Confident | 83.9 | Confident | 42 Ų | 42 | 34.7 Ų | 34.7 | 16% | 0.158 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 160.2 | 176.3 | -61.6 | -57.5 | -179.2 | -82.7 | -5.9 | 109.9 | K221 S289 H290 F316 V317 E319 V322 | K221-R224 PolarHBondContact O-NH1 3.19Å; R224-S289 VanDerWaalsContact CD-O 3.31Å; R224-S289 WeakPolarHBondContact CD-O 3.13Å; R224-H290 WeakPolarHBondContact CD-O 3.34Å; R224-H290 VanDerWaalsContact CZ-O 3.31Å; R224-H290 VanDerWaalsContact NE-C 3.34Å; R224-H290 PolarHBondContact NE-O 2.89Å; R224-H290 PolarHBondContact NH2-O 2.65Å; R224-F316 WeakPolarHBondContact O-CA 3.42Å; R224-V317 HydrophobicContact CB-CG2 4.38Å; R224-V317 PolarHBondContact N-O 3.02Å; R224-V317 PolarHBondContact O-N 3.48Å; R224-E319 HydrophobicContact CG-CB 3.92Å; R224-E319 IonicContact CZ-OE2 3.48Å; R224-E319 IonicContact NH1-OE2 3.16Å; R224-E319 PolarHBondContact NH1-OE2 3.24Å; R224-E319 IonicContact NH2-OE2 3.42Å; R224-E319 PolarHBondContact NH2-OE2 2.92Å; R224-V322 HydrophobicContact CB-CG2 3.84Å; R224-V322 HydrophobicContact CG-CG2 4.13Å |
| 225 | I | 86.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.8 | -178.7 | -56.2 | 88.7 | 0 | 0 | 0 | 108 | F217 A219 L227 V288 S289 P292 L294 E315 F316 | F217-I225 HydrophobicContact CB-CG1 4.03Å; F217-I225 HydrophobicContact CB-CG2 4Å; F217-I225 HydrophobicContact CG-CG2 4.26Å; A219-I225 HydrophobicContact CB-CD1 3.94Å; A219-I225 HydrophobicContact CB-CG1 4.27Å; I225-L227 HydrophobicContact CG2-CD2 3.76Å; I225-L227 HydrophobicContact CG2-CG 4.13Å; I225-V288 WeakPolarHBondContact O-CA 3.47Å; I225-S289 WeakPolarHBondContact CD1-OG 3.09Å; I225-S289 PolarHBondContact N-OG 3.29Å; I225-S289 PolarHBondContact O-N 2.87Å; I225-P292 VanDerWaalsContact CD1-C 3.44Å; I225-P292 WeakPolarHBondContact CD1-O 3.37Å; I225-L294 HydrophobicContact CB-CB 4.44Å; I225-L294 HydrophobicContact CD1-CB 4.32Å; I225-E315 CarbonylContact C-O 3.56Å; I225-E315 WeakPolarHBondContact CA-O 3.34Å; I225-F316 HydrophobicContact CG1-CD1 3.87Å; I225-F316 HydrophobicContact CG1-CE1 3.78Å |
| 226 | I | 79.5 | Confident | 81.7 | Confident | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.1 | 164.3 | -53.9 | 176.2 | 0 | 0 | 0 | 106.7 | Q286 L287 V288 Y314 E315 V317 V322 | I226-Q286 VanDerWaalsContact CG2-CD 3.48Å; I226-Q286 HydrophobicContact CG2-CG 3.58Å; I226-L287 CarbonylContact C-O 3.5Å; I226-L287 WeakPolarHBondContact CA-O 3.18Å; I226-V288 HydrophobicContact CG1-CG2 4.34Å; I226-Y314 CarbonylContact O-C 3.5Å; I226-Y314 WeakPolarHBondContact O-CA 3.22Å; I226-E315 HydrophobicContact CB-CB 4.31Å; I226-E315 PolarHBondContact N-O 3.38Å; I226-E315 PolarHBondContact O-N 3.41Å; I226-V317 HydrophobicContact CD1-CB 4.46Å; I226-V317 HydrophobicContact CD1-CG1 3.74Å; I226-V317 HydrophobicContact CD1-CG2 3.89Å; I226-V317 HydrophobicContact CG1-CG1 4.37Å; I226-V317 HydrophobicContact CG1-CG2 3.85Å; I226-V322 HydrophobicContact CD1-CG1 3.81Å; I226-V322 HydrophobicContact CG1-CG1 4.15Å |
| 227 | L | 83.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128 | 165.3 | -65.1 | -169 | 0 | 0 | 0 | 109.2 | F198 F217 I225 Q286 L287 L294 L296 | F198-L227 HydrophobicContact CE1-CD2 4.04Å; F198-L227 HydrophobicContact CZ-CD2 4.47Å; F217-L227 HydrophobicContact CD1-CD2 4.2Å; F217-L227 HydrophobicContact CD2-CD1 4.48Å; F217-L227 HydrophobicContact CD2-CD2 4.09Å; F217-L227 HydrophobicContact CE1-CD2 3.97Å; F217-L227 HydrophobicContact CE2-CD1 4.11Å; F217-L227 HydrophobicContact CE2-CD2 3.84Å; F217-L227 HydrophobicContact CG-CD2 4.27Å; F217-L227 HydrophobicContact CZ-CD2 3.77Å; I225-L227 HydrophobicContact CG2-CD2 3.76Å; I225-L227 HydrophobicContact CG2-CG 4.13Å; L227-Q286 CarbonylContact O-C 3.48Å; L227-Q286 VanDerWaalsContact O-CA 3.26Å; L227-Q286 WeakPolarHBondContact O-CA 3.26Å; L227-L287 PolarHBondContact N-O 2.74Å; L227-L287 PolarHBondContact O-N 2.81Å; L227-L294 HydrophobicContact CD1-CD1 4.16Å; L227-L294 HydrophobicContact CD1-CD2 3.41Å; L227-L294 VanDerWaalsContact CD1-CD2 3.41Å; L227-L294 HydrophobicContact CD1-CG 4.44Å; L227-L294 HydrophobicContact CG-CD1 4.28Å; L227-L294 HydrophobicContact CG-CD2 4.24Å; L227-L296 HydrophobicContact CD1-CD1 4.18Å |
| 228 | T | 76.2 | Confident | 78.5 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 8% | 0.08 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 111 | 174.8 | -53.6 | 0 | 0 | 0 | 0 | 109.1 | I285 Q286 G312 T313 | T228-I285 CarbonylContact C-O 3.56Å; T228-I285 VanDerWaalsContact CA-O 3.27Å; T228-I285 WeakPolarHBondContact CA-O 3.46Å; T228-Q286 PolarHBondContact OG1-NE2 2.78Å; T228-G312 CarbonylContact O-C 3.57Å; T228-G312 WeakPolarHBondContact O-CA 3.36Å; T228-T313 PolarHBondContact N-O 3.3Å; T228-T313 PolarHBondContact O-N 3.12Å |
| 229 | F | 76.6 | Confident | 76.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.6 | 169.4 | -65.7 | -93 | 0 | 0 | 0 | 109.4 | F198 I232 I262 I264 L278 N284 I285 L296 F310 | F198-F229 HydrophobicContact CE2-CD1 4.09Å; F198-F229 AromaticContact CE2-CE1 3.59Å; F198-F229 HydrophobicContact CE2-CE1 3.59Å; F198-F229 HydrophobicContact CE2-CZ 4.03Å; F198-F229 HydrophobicContact CZ-CD1 4.03Å; F198-F229 AromaticContact CZ-CE1 3.82Å; F198-F229 HydrophobicContact CZ-CE1 3.82Å; F198-F229 HydrophobicContact CZ-CE2 4.39Å; F198-F229 HydrophobicContact CZ-CG 4.44Å; F198-F229 HydrophobicContact CZ-CZ 4.03Å; F229-I232 HydrophobicContact CB-CD1 3.78Å; F229-I232 HydrophobicContact CB-CG1 3.79Å; F229-I232 HydrophobicContact CD1-CD1 3.53Å; F229-I232 HydrophobicContact CD1-CG1 3.67Å; F229-I232 HydrophobicContact CD2-CD1 4.21Å; F229-I232 HydrophobicContact CE1-CD1 4.05Å; F229-I232 HydrophobicContact CE1-CG1 4.46Å; F229-I232 HydrophobicContact CG-CD1 3.59Å; F229-I232 HydrophobicContact CG-CG1 3.95Å; F229-I262 HydrophobicContact CE1-CD1 4.03Å; F229-I262 HydrophobicContact CZ-CG2 4.13Å; F229-I264 HydrophobicContact CE2-CD1 4.32Å; F229-I264 HydrophobicContact CZ-CD1 4.34Å; F229-L278 HydrophobicContact CD2-CD1 3.81Å; F229-L278 HydrophobicContact CE1-CD1 4.49Å; F229-L278 HydrophobicContact CE2-CD1 3.49Å; F229-L278 VanDerWaalsContact CE2-CD1 3.49Å; F229-L278 HydrophobicContact CG-CD1 4.43Å; F229-L278 HydrophobicContact CZ-CD1 3.84Å; F229-N284 CarbonylContact O-C 3.53Å; F229-N284 WeakPolarHBondContact O-CA 3.4Å; F229-N284 PolarHBondContact O-N 2.8Å; F229-I285 HydrophobicContact CB-CB 4.36Å; F229-I285 HydrophobicContact CD2-CG2 4.36Å; F229-I285 PolarHBondContact N-O 2.96Å; F229-I285 PolarHBondContact O-N 2.76Å; F229-L296 HydrophobicContact CE1-CD1 3.94Å; F229-L296 HydrophobicContact CE2-CD1 4.43Å; F229-L296 HydrophobicContact CZ-CD1 3.43Å; F229-L296 VanDerWaalsContact CZ-CD1 3.43Å; F229-L296 HydrophobicContact CZ-CG 4.44Å; F229-F310 HydrophobicContact CD1-CB 4.36Å; F229-F310 HydrophobicContact CD1-CD2 4.35Å; F229-F310 HydrophobicContact CE1-CD2 4.07Å; F229-F310 HydrophobicContact CE1-CG 4.35Å |
| 230 | H | 70.5 | Confident | 74.4 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 28% | 0.278 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -41.2 | 175.5 | -63.9 | -62.8 | 0 | 0 | 0 | 111 | N284 H311 T313 | H230-N284 PolarHBondContact O-N 2.83Å; H230-H311 AromaticContact CD2-CE1 3.42Å; H230-H311 PolarHBondContact CD2-CE1 3.16Å; H230-H311 VanDerWaalsContact CD2-CE1 3.42Å; H230-H311 AromaticContact CD2-ND1 3.85Å; H230-H311 AromaticContact CD2-NE2 3.84Å; H230-H311 PolarHBondContact N-O 2.93Å; H230-T313 WeakPolarHBondContact NE2-CG2 3.04Å; H230-T313 PolarHBondContact NE2-OG1 2.81Å |
| 231 | S | 73 | Confident | 72.3 | Confident | 17 Ų | 17 | 56 Ų | 56 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 133.5 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | L282 F310 H311 | S231-L282 CarbonylContact C-O 3.52Å; S231-F310 CarbonylContact O-C 3.57Å; S231-F310 WeakPolarHBondContact O-CA 3.2Å; S231-F310 WeakPolarHBondContact O-CB 3.4Å; S231-H311 PolarHBondContact N-O 2.94Å; S231-H311 PolarHBondContact O-N 2.81Å |
| 232 | I | 79.9 | Confident | 70.1 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.5 | 167.7 | -54 | -176.5 | 0 | 0 | 0 | 105.3 | F229 L234 I262 L278 T280 N281 L282 G309 F310 | F229-I232 HydrophobicContact CB-CD1 3.78Å; F229-I232 HydrophobicContact CB-CG1 3.79Å; F229-I232 HydrophobicContact CD1-CD1 3.53Å; F229-I232 HydrophobicContact CD1-CG1 3.67Å; F229-I232 HydrophobicContact CD2-CD1 4.21Å; F229-I232 HydrophobicContact CE1-CD1 4.05Å; F229-I232 HydrophobicContact CE1-CG1 4.46Å; F229-I232 HydrophobicContact CG-CD1 3.59Å; F229-I232 HydrophobicContact CG-CG1 3.95Å; I232-L234 HydrophobicContact CG2-CD1 4.07Å; I232-L234 HydrophobicContact CG2-CD2 4.36Å; I232-L234 HydrophobicContact CG2-CG 3.72Å; I232-I262 HydrophobicContact CD1-CD1 4.1Å; I232-I262 HydrophobicContact CG2-CD1 3.94Å; I232-L278 HydrophobicContact CD1-CB 4.22Å; I232-L278 HydrophobicContact CD1-CD1 3.57Å; I232-T280 WeakPolarHBondContact CG2-O 3.48Å; I232-N281 CarbonylContact O-C 3.54Å; I232-N281 WeakPolarHBondContact O-CA 3.45Å; I232-L282 HydrophobicContact CB-CB 4.03Å; I232-L282 HydrophobicContact CD1-CB 4.1Å; I232-L282 HydrophobicContact CD1-CD1 4.25Å; I232-L282 HydrophobicContact CG1-CB 4.3Å; I232-L282 PolarHBondContact N-O 2.93Å; I232-L282 PolarHBondContact O-N 3.22Å; I232-G309 CarbonylContact C-O 3.55Å; I232-F310 HydrophobicContact CB-CB 4.36Å; I232-F310 HydrophobicContact CG1-CB 4.07Å; I232-F310 HydrophobicContact CG2-CB 4.41Å |
| 233 | Q | 80.6 | Confident | 68.1 | Low | 73 Ų | 73 | 52.4 Ų | 52.4 | 34% | 0.341 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 84.5 | 176.3 | -67.1 | -174.3 | 8.1 | 0 | 0 | 109.4 | N281 G307 Q308 G309 | Q233-N281 WeakPolarHBondContact CA-OD1 3.35Å; Q233-G307 CarbonylContact O-C 3.46Å; Q233-G307 VanDerWaalsContact O-CA 3.26Å; Q233-G307 WeakPolarHBondContact O-CA 3.31Å; Q233-Q308 HydrophobicContact CB-CB 3.88Å; Q233-Q308 HydrophobicContact CG-CB 4.46Å; Q233-Q308 PolarHBondContact O-N 2.8Å; Q233-Q308 VanDerWaalsContact O-N 3.16Å; Q233-G309 PolarHBondContact N-O 3.47Å; Q233-G309 PolarHBondContact O-N 2.83Å |
| 234 | L | 83.2 | Confident | 65.7 | Low | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -101.7 | 163.3 | 177.5 | -52.6 | -178.6 | 0 | 0 | 0 | 110.7 | Y207 I232 S236 D260 I262 T280 N281 F298 | Y207-L234 HydrophobicContact CE1-CD2 3.8Å; I232-L234 HydrophobicContact CG2-CD1 4.07Å; I232-L234 HydrophobicContact CG2-CD2 4.36Å; I232-L234 HydrophobicContact CG2-CG 3.72Å; L234-S236 PolarHBondContact O-N 2.91Å; L234-S236 VanDerWaalsContact O-N 3.1Å; L234-D260 HydrophobicContact CB-CB 4.49Å; L234-I262 HydrophobicContact CD1-CD1 4.04Å; L234-I262 HydrophobicContact CD1-CG1 4.01Å; L234-T280 WeakPolarHBondContact CB-O 3.44Å; L234-T280 PolarHBondContact N-O 3.19Å; L234-N281 PolarHBondContact N-OD1 3.48Å; L234-N281 PolarHBondContact O-OD1 3.45Å; L234-F298 HydrophobicContact CD1-CE2 4.4Å; L234-F298 HydrophobicContact CD2-CD2 4.46Å; L234-F298 HydrophobicContact CD2-CE2 3.58Å; L234-F298 HydrophobicContact CD2-CZ 4.12Å |
| 235 | K | 74.8 | Confident | 63.6 | Low | 25 Ų | 25 | 56.5 Ų | 56.5 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -47.8 | 118.1 | 171.3 | -179.9 | 173.2 | 173.2 | -172.2 | 0 | 111.8 | Y207 H258 N259 D260 S302 Q306 | Y207-K235 PolarHBondContact OH-N 2.87Å; Y207-K235 VanDerWaalsContact OH-N 3.12Å; K235-H258 PolarHBondContact NZ-O 3.27Å; K235-N259 PolarHBondContact O-ND2 3.28Å; K235-D260 HydrophobicContact CB-CB 4.48Å; K235-D260 WeakPolarHBondContact CB-OD2 3.48Å; K235-S302 WeakPolarHBondContact CD-OG 3.25Å; K235-S302 PolarHBondContact NZ-OG 2.97Å; K235-Q306 VanDerWaalsContact CA-O 3.29Å; K235-Q306 WeakPolarHBondContact CA-O 3.31Å; K235-Q306 HydrophobicContact CB-CB 3.68Å; K235-Q306 HydrophobicContact CD-CB 3.82Å; K235-Q306 HydrophobicContact CD-CG 4.19Å; K235-Q306 HydrophobicContact CG-CB 3.69Å; K235-Q306 HydrophobicContact CG-CG 4.41Å; K235-Q306 PolarHBondContact N-O 3.3Å |
| 236 | S | 62.4 | Low | 61.5 | Low | 35 Ų | 35 | 59.2 Ų | 59.2 | 25% | 0.245 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 147.8 | -180 | -167.3 | 0 | 0 | 0 | 0 | 112.2 | L234 K238 N245 N259 | L234-S236 PolarHBondContact O-N 2.91Å; L234-S236 VanDerWaalsContact O-N 3.1Å; S236-K238 PolarHBondContact O-N 2.84Å; S236-K238 VanDerWaalsContact O-N 3.13Å; S236-N245 PolarHBondContact OG-OD1 3.04Å; S236-N259 PolarHBondContact O-ND2 3.06Å |
| 237 | M | 61.2 | Low | 60.1 | Low | 11 Ų | 11 | 62 Ų | 62 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | trans | -69.2 | 103.2 | 169.4 | -60.3 | -154.1 | 172.3 | 0 | 0 | 109.1 | N239 I246 C249 I255 P256 N259 C279 T280 | M237-N239 PolarHBondContact O-N 2.78Å; M237-I246 HydrophobicContact SD-CB 4.32Å; M237-I246 HydrophobicContact SD-CD1 4.45Å; M237-C249 WeakPolarHBondContact CE-SG 3.18Å; M237-I255 HydrophobicContact CE-CG2 4.3Å; M237-P256 HydrophobicContact CE-CG 4.14Å; M237-P256 VanDerWaalsContact SD-CD 3.53Å; M237-P256 HydrophobicContact SD-CG 3.78Å; M237-N259 WeakPolarHBondContact CA-ND2 2.88Å; M237-N259 HydrophobicContact CE-CB 4.46Å; M237-N259 WeakPolarHBondContact CG-ND2 3.38Å; M237-N259 PolarHBondContact N-ND2 3.19Å; M237-C279 HydrophobicContact CE-CB 4.16Å; M237-T280 HydrophobicContact CG-CG2 4.04Å | ||
| 238 | K | 53.2 | Low | 58.7 | Low | 187 Ų | 187 | 63.5 Ų | 63.5 | 81% | 0.813 | 32% | 0.318 | S | S | * | . | trans | -84.7 | 88.5 | 162.5 | -68.4 | -171.4 | -179.4 | -173.8 | 0 | 107.7 | S236 | S236-K238 PolarHBondContact O-N 2.84Å; S236-K238 VanDerWaalsContact O-N 3.13Å | ||
| 239 | N | 47.2 | Very low | 57.9 | Low | 74 Ų | 74 | 63 Ų | 63 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | trans | -78 | 118.9 | 154.6 | -75.6 | -12.1 | 0 | 0 | 0 | 105.6 | M237 D241 S242 | M237-N239 PolarHBondContact O-N 2.78Å; N239-D241 PolarHBondContact O-N 2.83Å; N239-S242 VanDerWaalsContact CB-OG 3.24Å; N239-S242 WeakPolarHBondContact CB-OG 3.26Å; N239-S242 PolarHBondContact ND2-OG 2.86Å; N239-S242 PolarHBondContact O-N 3.12Å | ||
| 240 | E | 47.9 | Very low | 57 | Low | 194 Ų | 194 | 64.8 Ų | 64.8 | 91% | 0.907 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -18.2 | 179 | -74.4 | -174.9 | 152.8 | 0 | 0 | 112.7 | ||
| 241 | D | 43.5 | Very low | 56.7 | Low | 161 Ų | 161 | 64.6 Ų | 64.6 | 86% | 0.861 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 7.8 | -176.5 | -61.5 | -38 | 0 | 0 | 0 | 115.4 | N239 | N239-D241 PolarHBondContact O-N 2.83Š|
| 242 | S | 41.7 | Very low | 56.3 | Low | 45 Ų | 45 | 68.7 Ų | 68.7 | 32% | 0.315 | 35% | 0.349 | S | S | . | . | trans | -139 | 109.9 | 177.7 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | N239 Y244 | N239-S242 VanDerWaalsContact CB-OG 3.24Å; N239-S242 WeakPolarHBondContact CB-OG 3.26Å; N239-S242 PolarHBondContact ND2-OG 2.86Å; N239-S242 PolarHBondContact O-N 3.12Å; S242-Y244 PolarHBondContact O-N 3.16Å | ||
| 243 | I | 41.5 | Very low | 55.7 | Low | 144 Ų | 144 | 75.9 Ų | 75.9 | 74% | 0.738 | 39% | 0.388 | S | S | * | . | trans | -72.2 | 26.3 | -177.6 | -65.8 | 169 | 0 | 0 | 0 | 112.5 | ||||
| 244 | Y | 35.3 | Very low | 54.9 | Low | 41 Ų | 41 | 75.2 Ų | 75.2 | 16% | 0.161 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -126.8 | 118.8 | 178.1 | -61.1 | -56.6 | 0 | 0 | 0 | 113.2 | S242 I246 N361 K362 S363 | S242-Y244 PolarHBondContact O-N 3.16Å; Y244-I246 PolarHBondContact O-N 2.81Å; Y244-I246 VanDerWaalsContact O-N 3.17Å; Y244-N361 HydrophobicContact CE2-CB 4.21Å; Y244-K362 VanDerWaalsContact CE1-C 3.48Å; Y244-K362 VanDerWaalsContact CZ-N 3.34Å; Y244-K362 WeakPolarHBondContact OH-CA 3.32Å; Y244-K362 PolarHBondContact OH-N 3.27Å; Y244-K362 VanDerWaalsContact OH-N 3.11Å; Y244-S363 WeakPolarHBondContact CE1-OG 3.42Å; Y244-S363 VanDerWaalsContact CZ-N 3.28Å; Y244-S363 PolarHBondContact OH-N 3.25Å |
| 245 | N | 37.4 | Very low | 54.3 | Low | 99 Ų | 99 | 75.7 Ų | 75.7 | 53% | 0.529 | 39% | 0.394 | S | S | . | . | trans | -59 | 111.6 | 170.7 | -62.1 | -44 | 0 | 0 | 0 | 108.9 | S236 E247 | S236-N245 PolarHBondContact OG-OD1 3.04Å; N245-E247 PolarHBondContact O-N 2.89Å | ||
| 246 | I | 43.2 | Very low | 54.1 | Low | 58 Ų | 58 | 76.4 Ų | 76.4 | 30% | 0.297 | 40% | 0.401 | S | S | . | . | trans | -81.9 | 102.8 | 175.6 | -62.9 | 169.5 | 0 | 0 | 0 | 107.6 | M237 Y244 R248 T280 | M237-I246 HydrophobicContact SD-CB 4.32Å; M237-I246 HydrophobicContact SD-CD1 4.45Å; Y244-I246 PolarHBondContact O-N 2.81Å; Y244-I246 VanDerWaalsContact O-N 3.17Å; I246-R248 WeakPolarHBondContact CG2-O 3.09Å; I246-T280 WeakPolarHBondContact O-CG2 3.31Å; I246-T280 PolarHBondContact O-OG1 3.25Å | ||
| 247 | E | 50.1 | Low | 54.6 | Low | 61 Ų | 61 | 78.6 Ų | 78.6 | 29% | 0.285 | 41% | 0.412 | S | S | . | . | trans | -82.6 | -17.3 | -172.2 | -51.5 | -175.9 | 165.4 | 0 | 0 | 116.3 | N245 C279 T280 N281 L282 F366 | N245-E247 PolarHBondContact O-N 2.89Å; E247-C279 CarbonylContact C-O 3.54Å; E247-C279 PolarHBondContact O-N 2.82Å; E247-T280 VanDerWaalsContact CA-OG1 3.27Å; E247-T280 WeakPolarHBondContact CA-OG1 3.32Å; E247-N281 VanDerWaalsContact CD-O 3.31Å; E247-L282 HydrophobicContact CB-CD2 3.41Å; E247-L282 VanDerWaalsContact CB-CD2 3.41Å; E247-L282 HydrophobicContact CB-CG 4.04Å; E247-L282 HydrophobicContact CG-CD2 4.3Å; E247-L282 WeakPolarHBondContact O-CD1 3.43Å; E247-L282 WeakPolarHBondContact OE2-CD2 3.45Å; E247-F366 HydrophobicContact CB-CE2 3.8Å; E247-F366 HydrophobicContact CB-CZ 3.72Å; E247-F366 HydrophobicContact CG-CE2 3.81Å; E247-F366 HydrophobicContact CG-CZ 4.08Å; E247-F366 WeakPolarHBondContact OE2-CE2 3.48Å | ||
| 248 | R | 52.4 | Low | 55.1 | Low | 32 Ų | 32 | 83.8 Ų | 83.8 | 12% | 0.121 | 44% | 0.436 | C | S | . | . | B | Isolated β-bridge | trans | -128.9 | 136.1 | 166 | -82 | -174.3 | 168.4 | 127.9 | -19.6 | 109.4 | I246 L278 L282 F432 P433 | I246-R248 WeakPolarHBondContact CG2-O 3.09Å; R248-L278 HydrophobicContact CG-CD2 3.96Å; R248-L282 HydrophobicContact CG-CD1 4.17Å; R248-F432 VanDerWaalsContact NH1-CZ 3.27Å; R248-P433 VanDerWaalsContact CD-CB 3.47Å |
| 249 | C | 61.1 | Low | 56.4 | Low | 2 Ų | 2 | 75.5 Ų | 75.5 | 1% | 0.014 | 40% | 0.401 | C | S | . | . | trans | -78.7 | 123.9 | 172.5 | -72.5 | 0 | 0 | 0 | 0 | 107.8 | M237 I255 Y277 C279 | M237-C249 WeakPolarHBondContact CE-SG 3.18Å; C249-I255 HydrophobicContact CB-CD1 3.76Å; C249-I255 HydrophobicContact CB-CG1 3.6Å; C249-I255 VanDerWaalsContact SG-CG1 3.51Å; C249-Y277 PolarHBondContact N-O 2.89Å; C249-C279 HydrophobicContact CB-CB 4.21Å; C249-C279 WeakPolarHBondContact CB-SG 3.46Å; C249-C279 WeakPolarHBondContact SG-CB 3.29Å; C249-C279 CovalentContact SG-SG 2.01Å; C249-C279 PolarHBondContact SG-SG 3.06Å | ||
| 250 | G | 56.8 | Low | 58.3 | Low | 39 Ų | 39 | 72 Ų | 72 | 40% | 0.402 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -61.6 | -61 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | S254 | G250-S254 PolarHBondContact N-OG 3.26Š|
| 251 | T | 63.5 | Low | 60.2 | Low | 55 Ų | 55 | 62.9 Ų | 62.9 | 34% | 0.337 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -121.6 | 162.4 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | N253 S254 E330 | T251-N253 PolarHBondContact O-N 2.92Å; T251-S254 PolarHBondContact N-OG 3.13Å; T251-S254 VanDerWaalsContact N-OG 3.13Å; T251-S254 WeakPolarHBondContact O-CB 3.25Å; T251-S254 PolarHBondContact O-N 3.11Å; T251-S254 PolarHBondContact O-OG 3.16Å; T251-S254 PolarHBondContact OG1-N 2.99Å; T251-E330 WeakPolarHBondContact CB-OE1 3.13Å; T251-E330 HydrophobicContact CG2-CG 4.33Å |
| 252 | R | 65.5 | Low | 62.4 | Low | 103 Ų | 103 | 55.2 Ų | 55.2 | 39% | 0.389 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -56.3 | -33.4 | 174.3 | -173.5 | 173.3 | 172.9 | 178 | -8.4 | 112.6 | S254 I255 Y277 E330 E342 | R252-S254 VanDerWaalsContact C-N 3.32Å; R252-I255 WeakPolarHBondContact O-CG1 3.33Å; R252-I255 PolarHBondContact O-N 2.71Å; R252-Y277 HydrophobicContact CB-CE1 4.12Å; R252-Y277 HydrophobicContact CB-CE2 4.06Å; R252-Y277 HydrophobicContact CG-CE1 4.36Å; R252-E330 PolarHBondContact N-OE1 2.84Å; R252-E342 IonicContact NH2-OE1 3.48Å; R252-E342 PolarHBondContact NH2-OE1 2.89Å; R252-E342 VanDerWaalsContact NH2-OE1 3.1Å; R252-E342 IonicContact NH2-OE2 2.83Å |
| 253 | N | 67.2 | Low | 64.8 | Low | 153 Ų | 153 | 53.7 Ų | 53.7 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -75.8 | -21.6 | -179.3 | -66.1 | -17.6 | 0 | 0 | 0 | 112.7 | T251 I255 | T251-N253 PolarHBondContact O-N 2.92Å; N253-I255 PolarHBondContact O-N 3.21Å |
| 254 | S | 64.4 | Low | 67.1 | Low | 59 Ų | 59 | 46.9 Ų | 46.9 | 41% | 0.413 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -75.5 | -10.6 | 175.7 | 73 | 0 | 0 | 0 | 0 | 113.6 | G250 T251 R252 P256 | G250-S254 PolarHBondContact N-OG 3.26Å; T251-S254 PolarHBondContact N-OG 3.13Å; T251-S254 VanDerWaalsContact N-OG 3.13Å; T251-S254 WeakPolarHBondContact O-CB 3.25Å; T251-S254 PolarHBondContact O-N 3.11Å; T251-S254 PolarHBondContact O-OG 3.16Å; T251-S254 PolarHBondContact OG1-N 2.99Å; R252-S254 VanDerWaalsContact C-N 3.32Å; S254-P256 VanDerWaalsContact O-CD 3.32Å; S254-P256 WeakPolarHBondContact O-CD 3.41Å |
| 255 | I | 70.9 | Confident | 69.7 | Low | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -81.8 | 115.8 | -176.5 | -44.3 | -168.3 | 0 | 0 | 0 | 109.8 | M237 C249 R252 N253 N259 F261 Y277 | M237-I255 HydrophobicContact CE-CG2 4.3Å; C249-I255 HydrophobicContact CB-CD1 3.76Å; C249-I255 HydrophobicContact CB-CG1 3.6Å; C249-I255 VanDerWaalsContact SG-CG1 3.51Å; R252-I255 WeakPolarHBondContact O-CG1 3.33Å; R252-I255 PolarHBondContact O-N 2.71Å; N253-I255 PolarHBondContact O-N 3.21Å; I255-N259 HydrophobicContact CG2-CB 4.29Å; I255-F261 HydrophobicContact CD1-CB 4.04Å; I255-F261 HydrophobicContact CD1-CD1 4.17Å; I255-F261 HydrophobicContact CD1-CD2 3.56Å; I255-F261 HydrophobicContact CD1-CE2 3.97Å; I255-F261 HydrophobicContact CD1-CG 3.66Å; I255-F261 HydrophobicContact CD1-CZ 4.45Å; I255-F261 HydrophobicContact CG2-CB 4.3Å; I255-F261 HydrophobicContact CG2-CD1 3.92Å; I255-F261 HydrophobicContact CG2-CG 4.19Å; I255-Y277 HydrophobicContact CD1-CD1 4.13Å; I255-Y277 HydrophobicContact CD1-CG 4.31Å |
| 256 | P | 70.4 | Confident | 72.1 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 26% | 0.26 | 23% | 0.225 | S | C | . | . | trans | -56.6 | 147.8 | 176.5 | -23.2 | 34 | 0 | 0 | 0 | 112 | M237 S254 H258 N259 | M237-P256 HydrophobicContact CE-CG 4.14Å; M237-P256 VanDerWaalsContact SD-CD 3.53Å; M237-P256 HydrophobicContact SD-CG 3.78Å; S254-P256 VanDerWaalsContact O-CD 3.32Å; S254-P256 WeakPolarHBondContact O-CD 3.41Å; P256-H258 PolarHBondContact O-N 3.23Å; P256-H258 VanDerWaalsContact O-N 3.09Å; P256-N259 HydrophobicContact CB-CB 4.35Å; P256-N259 PolarHBondContact O-N 3.29Å; P256-N259 VanDerWaalsContact O-N 3.1Å | ||
| 257 | V | 71.5 | Confident | 74.1 | Confident | 81 Ų | 81 | 40.8 Ų | 40.8 | 49% | 0.491 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -32 | -170.9 | -177 | 0 | 0 | 0 | 0 | 113 | R301 Y344 | V257-R301 WeakPolarHBondContact O-CB 3.07Å; V257-R301 WeakPolarHBondContact O-CD 3.41Å; V257-Y344 HydrophobicContact CG1-CE1 4.23Å |
| 258 | H | 72.9 | Confident | 75.5 | Confident | 119 Ų | 119 | 44.9 Ų | 44.9 | 55% | 0.551 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 12.6 | -175.8 | -59.5 | -56.5 | 0 | 0 | 0 | 114.6 | K235 P256 | K235-H258 PolarHBondContact NZ-O 3.27Å; P256-H258 PolarHBondContact O-N 3.23Å; P256-H258 VanDerWaalsContact O-N 3.09Å |
| 259 | N | 80 | Confident | 76.6 | Confident | 14 Ų | 14 | 51.5 Ų | 51.5 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | trans | -97.9 | 142.8 | -178.6 | -83.9 | 71.3 | 0 | 0 | 0 | 111.8 | K235 S236 M237 I255 P256 | K235-N259 PolarHBondContact O-ND2 3.28Å; S236-N259 PolarHBondContact O-ND2 3.06Å; M237-N259 WeakPolarHBondContact CA-ND2 2.88Å; M237-N259 HydrophobicContact CE-CB 4.46Å; M237-N259 WeakPolarHBondContact CG-ND2 3.38Å; M237-N259 PolarHBondContact N-ND2 3.19Å; I255-N259 HydrophobicContact CG2-CB 4.29Å; P256-N259 HydrophobicContact CB-CB 4.35Å; P256-N259 PolarHBondContact O-N 3.29Å; P256-N259 VanDerWaalsContact O-N 3.1Å | ||
| 260 | D | 87.5 | Confident | 77.3 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | trans | -89.1 | 140.4 | 177.4 | -51.2 | -25.7 | 0 | 0 | 0 | 108.1 | Y207 L234 K235 I299 S300 R301 S302 | Y207-D260 WeakPolarHBondContact CE2-OD2 3.17Å; Y207-D260 PolarHBondContact OH-OD2 3.06Å; L234-D260 HydrophobicContact CB-CB 4.49Å; K235-D260 HydrophobicContact CB-CB 4.48Å; K235-D260 WeakPolarHBondContact CB-OD2 3.48Å; D260-I299 VanDerWaalsContact CA-O 3.24Å; D260-I299 WeakPolarHBondContact CA-O 3.03Å; D260-S300 VanDerWaalsContact OD1-CA 3.28Å; D260-S300 WeakPolarHBondContact OD1-CA 3.44Å; D260-R301 PolarHBondContact OD1-N 3.36Å; D260-S302 PolarHBondContact OD1-N 3.17Å | ||
| 261 | F | 87.6 | Confident | 78.3 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 162.4 | -176.8 | 68.3 | -78.2 | 0 | 0 | 0 | 111.6 | I255 Y277 L278 C279 I299 R301 | I255-F261 HydrophobicContact CD1-CB 4.04Å; I255-F261 HydrophobicContact CD1-CD1 4.17Å; I255-F261 HydrophobicContact CD1-CD2 3.56Å; I255-F261 HydrophobicContact CD1-CE2 3.97Å; I255-F261 HydrophobicContact CD1-CG 3.66Å; I255-F261 HydrophobicContact CD1-CZ 4.45Å; I255-F261 HydrophobicContact CG2-CB 4.3Å; I255-F261 HydrophobicContact CG2-CD1 3.92Å; I255-F261 HydrophobicContact CG2-CG 4.19Å; F261-Y277 HydrophobicContact CD2-CD1 4.2Å; F261-Y277 HydrophobicContact CE2-CD1 4.29Å; F261-L278 WeakPolarHBondContact CA-O 3.29Å; F261-C279 VanDerWaalsContact CB-SG 3.57Å; F261-I299 HydrophobicContact CD1-CB 4.21Å; F261-I299 HydrophobicContact CE1-CB 3.74Å; F261-I299 HydrophobicContact CE1-CD1 4.1Å; F261-I299 HydrophobicContact CE1-CG1 4.48Å; F261-I299 HydrophobicContact CE1-CG2 3.82Å; F261-I299 HydrophobicContact CE2-CD1 3.92Å; F261-I299 HydrophobicContact CZ-CB 3.98Å; F261-I299 HydrophobicContact CZ-CD1 3.44Å; F261-I299 VanDerWaalsContact CZ-CD1 3.44Å; F261-I299 HydrophobicContact CZ-CG1 4.22Å; F261-I299 HydrophobicContact CZ-CG2 4.27Å; F261-I299 PolarHBondContact N-O 2.77Å; F261-I299 PolarHBondContact O-N 2.75Å; F261-R301 VanDerWaalsContact CE1-CZ 3.48Å |
| 262 | I | 90.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124 | 172 | -59.6 | 157.4 | 0 | 0 | 0 | 107.8 | F229 I232 L234 I264 Y277 L278 L296 D297 F298 F310 | F229-I262 HydrophobicContact CE1-CD1 4.03Å; F229-I262 HydrophobicContact CZ-CG2 4.13Å; I232-I262 HydrophobicContact CD1-CD1 4.1Å; I232-I262 HydrophobicContact CG2-CD1 3.94Å; L234-I262 HydrophobicContact CD1-CD1 4.04Å; L234-I262 HydrophobicContact CD1-CG1 4.01Å; I262-I264 HydrophobicContact CG2-CD1 3.77Å; I262-I264 HydrophobicContact CG2-CG1 4.35Å; I262-Y277 CarbonylContact O-C 3.49Å; I262-Y277 WeakPolarHBondContact O-CA 3.15Å; I262-L278 HydrophobicContact CB-CB 4.22Å; I262-L278 PolarHBondContact N-O 2.81Å; I262-L278 PolarHBondContact O-N 2.71Å; I262-L296 HydrophobicContact CG2-CD1 4.11Å; I262-L296 HydrophobicContact CG2-CD2 3.66Å; I262-L296 HydrophobicContact CG2-CG 3.58Å; I262-D297 CarbonylContact C-O 3.58Å; I262-D297 VanDerWaalsContact CA-O 3.31Å; I262-D297 WeakPolarHBondContact CA-O 3.38Å; I262-F298 HydrophobicContact CG1-CD2 3.88Å; I262-F310 HydrophobicContact CD1-CB 4.35Å; I262-F310 HydrophobicContact CD1-CD1 3.54Å; I262-F310 HydrophobicContact CD1-CE1 4Å; I262-F310 HydrophobicContact CD1-CG 3.99Å; I262-F310 HydrophobicContact CG1-CD1 4.17Å; I262-F310 HydrophobicContact CG1-CE1 4.16Å |
| 263 | S | 90.6 | Very high | 80.1 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 122.8 | 174.5 | 172 | 0 | 0 | 0 | 0 | 109.2 | Y277 L296 D297 | S263-Y277 VanDerWaalsContact OG-CE1 3.31Å; S263-Y277 WeakPolarHBondContact OG-CE1 3.36Å; S263-L296 CarbonylContact O-C 3.52Å; S263-L296 WeakPolarHBondContact O-CA 3.22Å; S263-D297 PolarHBondContact N-O 3.46Å; S263-D297 PolarHBondContact O-N 3.18Å |
| 264 | I | 90.2 | Very high | 80.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.2 | 173.8 | -61 | 93.3 | 0 | 0 | 0 | 108.1 | F229 I262 L275 A276 L278 L287 L294 R295 L296 | F229-I264 HydrophobicContact CE2-CD1 4.32Å; F229-I264 HydrophobicContact CZ-CD1 4.34Å; I262-I264 HydrophobicContact CG2-CD1 3.77Å; I262-I264 HydrophobicContact CG2-CG1 4.35Å; I264-L275 HydrophobicContact CG2-CB 4.16Å; I264-L275 HydrophobicContact CG2-CD2 4.15Å; I264-L275 PolarHBondContact O-N 3.25Å; I264-A276 HydrophobicContact CB-CB 4.46Å; I264-A276 HydrophobicContact CD1-CB 4.24Å; I264-A276 PolarHBondContact N-O 2.95Å; I264-A276 PolarHBondContact O-N 2.83Å; I264-L278 HydrophobicContact CD1-CD1 3.64Å; I264-L278 HydrophobicContact CD1-CG 3.67Å; I264-L287 HydrophobicContact CB-CD1 4.16Å; I264-L287 HydrophobicContact CD1-CD1 3.84Å; I264-L287 HydrophobicContact CG1-CD1 3.91Å; I264-L287 HydrophobicContact CG2-CD1 4.22Å; I264-L294 HydrophobicContact CG2-CD1 4.02Å; I264-L294 HydrophobicContact CG2-CD2 3.57Å; I264-L294 HydrophobicContact CG2-CG 3.93Å; I264-R295 CarbonylContact C-O 3.56Å; I264-R295 WeakPolarHBondContact CA-O 3.04Å; I264-L296 HydrophobicContact CG1-CG 4.35Å |
| 265 | S | 90.3 | Very high | 81.3 | Confident | 8 Ų | 8 | 49 Ų | 49 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 151.8 | -179.4 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | R273 R295 | S265-R273 CarbonylContact C-O 3.54Å; S265-R273 WeakPolarHBondContact CA-O 3.28Å; S265-R273 WeakPolarHBondContact CB-O 3.45Å; S265-R295 PolarHBondContact N-O 3.32Å; S265-R295 PolarHBondContact O-N 2.94Å; S265-R295 PolarHBondContact OG-O 3.14Å |
| 266 | E | 88.4 | Confident | 81.6 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 138.4 | 169.8 | -65.6 | -161.8 | -162.1 | 0 | 0 | 110.2 | S272 R273 H290 S291 F327 | E266-S272 CarbonylContact O-C 3.47Å; E266-S272 VanDerWaalsContact O-CA 3.25Å; E266-S272 WeakPolarHBondContact O-CA 3.19Å; E266-R273 PolarHBondContact N-O 2.91Å; E266-R273 PolarHBondContact O-N 3.48Å; E266-H290 WeakPolarHBondContact OE1-CB 3.49Å; E266-H290 IonicContact OE1-CG 2.83Å; E266-H290 PolarHBondContact OE1-N 3.32Å; E266-H290 IonicContact OE1-ND1 3.66Å; E266-H290 PolarHBondContact OE1-ND1 3.26Å; E266-H290 WeakPolarHBondContact OE2-CB 3.35Å; E266-S291 WeakPolarHBondContact CB-OG 3.35Å; E266-S291 WeakPolarHBondContact OE2-CB 2.98Å; E266-S291 PolarHBondContact OE2-N 3.48Å; E266-S291 PolarHBondContact OE2-OG 2.84Å; E266-F327 HydrophobicContact CG-CE1 4.37Å |
| 267 | M | 85 | Confident | 82.1 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 25% | 0.246 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.6 | 178.7 | -64.3 | -179.3 | 66.4 | 0 | 0 | 110.2 | I293 R295 | M267-I293 HydrophobicContact CB-CB 4.29Å; M267-I293 HydrophobicContact CB-CG2 3.85Å; M267-I293 HydrophobicContact CG-CG2 4.34Å; M267-I293 PolarHBondContact N-O 2.83Å; M267-I293 VanDerWaalsContact N-O 3.16Å; M267-I293 HydrophobicContact SD-CG2 4.16Å; M267-R295 HydrophobicContact CG-CB 3.9Å; M267-R295 HydrophobicContact SD-CB 3.72Å; M267-R295 HydrophobicContact SD-CG 4.35Å |
| 268 | Y | 78.3 | Confident | 82.5 | Confident | 147 Ų | 147 | 43.4 Ų | 43.4 | 58% | 0.576 | 20% | 0.202 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 107.7 | 173.3 | -173.7 | -93.8 | 0 | 0 | 0 | 110.5 | N270 K271 | Y268-N270 PolarHBondContact O-N 2.97Å; Y268-K271 PolarHBondContact N-O 3.25Å; Y268-K271 PolarHBondContact O-N 3.22Å |
| 269 | K | 76.7 | Confident | 82.6 | Confident | 171 Ų | 171 | 37.8 Ų | 37.8 | 74% | 0.743 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | -106.8 | -174.3 | -59.2 | 178.9 | 180 | 177.6 | 0 | 110.4 | ||
| 270 | N | 75.6 | Confident | 82.2 | Confident | 127 Ų | 127 | 37.2 Ų | 37.2 | 68% | 0.679 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 13.9 | 179.6 | -63.1 | -2.2 | 0 | 0 | 0 | 113.1 | Y268 T337 | Y268-N270 PolarHBondContact O-N 2.97Å; N270-T337 PolarHBondContact O-N 3.34Å; N270-T337 PolarHBondContact O-OG1 3.21Å |
| 271 | K | 77.8 | Confident | 81.5 | Confident | 88 Ų | 88 | 40.6 Ų | 40.6 | 38% | 0.383 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.3 | -178.8 | -68.7 | 177 | 165.2 | -157.2 | 0 | 109.3 | Y268 L334 | Y268-K271 PolarHBondContact N-O 3.25Å; Y268-K271 PolarHBondContact O-N 3.22Å; K271-L334 HydrophobicContact CB-CB 4.14Å; K271-L334 HydrophobicContact CB-CD2 3.93Å; K271-L334 HydrophobicContact CD-CB 3.68Å; K271-L334 HydrophobicContact CD-CD1 3.87Å; K271-L334 HydrophobicContact CD-CD2 4.23Å; K271-L334 HydrophobicContact CD-CG 4.13Å; K271-L334 HydrophobicContact CG-CB 4.12Å |
| 272 | S | 83.5 | Confident | 80.5 | Confident | 27 Ų | 27 | 41.1 Ų | 41.1 | 19% | 0.189 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140.5 | 173.6 | 55.1 | 0 | 0 | 0 | 0 | 111 | E266 V335 | E266-S272 CarbonylContact O-C 3.47Å; E266-S272 VanDerWaalsContact O-CA 3.25Å; E266-S272 WeakPolarHBondContact O-CA 3.19Å; S272-V335 PolarHBondContact N-O 3.11Å |
| 273 | R | 82.4 | Confident | 79.6 | Confident | 98 Ų | 98 | 45.9 Ų | 45.9 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.8 | 172.7 | -173.2 | 174.7 | -175.5 | 174.5 | 11.9 | 109.4 | S265 E266 F327 D332 | S265-R273 CarbonylContact C-O 3.54Å; S265-R273 WeakPolarHBondContact CA-O 3.28Å; S265-R273 WeakPolarHBondContact CB-O 3.45Å; E266-R273 PolarHBondContact N-O 2.91Å; E266-R273 PolarHBondContact O-N 3.48Å; R273-F327 HydrophobicContact CB-CE1 4.37Å; R273-F327 VanDerWaalsContact CD-CE1 3.5Å; R273-F327 HydrophobicContact CG-CD1 3.82Å; R273-F327 HydrophobicContact CG-CE1 3.87Å; R273-F327 VanDerWaalsContact NH1-CD2 3.32Å; R273-F327 VanDerWaalsContact NH1-CE2 3.31Å; R273-D332 IonicContact NH2-OD1 3.7Å |
| 274 | A | 80.6 | Confident | 78.4 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y277 | A274-Y277 HydrophobicContact CB-CE2 3.94Å; A274-Y277 WeakPolarHBondContact CB-OH 3.37Å |
| 275 | L | 76 | Confident | 77.4 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -39.1 | 174.7 | -175.4 | 67 | 0 | 0 | 0 | 111 | I264 L287 L294 S325 P326 F327 | I264-L275 HydrophobicContact CG2-CB 4.16Å; I264-L275 HydrophobicContact CG2-CD2 4.15Å; I264-L275 PolarHBondContact O-N 3.25Å; L275-L287 HydrophobicContact CD2-CB 4.2Å; L275-L294 HydrophobicContact CD2-CD1 4.44Å; L275-S325 WeakPolarHBondContact CD1-O 3.26Å; L275-P326 WeakPolarHBondContact CD1-O 3.29Å; L275-F327 HydrophobicContact CD1-CD1 3.96Å; L275-F327 HydrophobicContact CD1-CE1 4.21Å |
| 276 | A | 78.4 | Confident | 76.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 149.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I264 L278 L287 | I264-A276 HydrophobicContact CB-CB 4.46Å; I264-A276 HydrophobicContact CD1-CB 4.24Å; I264-A276 PolarHBondContact N-O 2.95Å; I264-A276 PolarHBondContact O-N 2.83Å; A276-L278 HydrophobicContact CB-CD2 4.27Å; A276-L287 HydrophobicContact CB-CD1 3.85Å; A276-L287 HydrophobicContact CB-CD2 4.26Å |
| 277 | Y | 80.4 | Confident | 76 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117 | 163.9 | -62.6 | -76.3 | 0 | 0 | 0 | 109.9 | C249 R252 I255 F261 I262 S263 A274 L328 | C249-Y277 PolarHBondContact N-O 2.89Å; R252-Y277 HydrophobicContact CB-CE1 4.12Å; R252-Y277 HydrophobicContact CB-CE2 4.06Å; R252-Y277 HydrophobicContact CG-CE1 4.36Å; I255-Y277 HydrophobicContact CD1-CD1 4.13Å; I255-Y277 HydrophobicContact CD1-CG 4.31Å; F261-Y277 HydrophobicContact CD2-CD1 4.2Å; F261-Y277 HydrophobicContact CE2-CD1 4.29Å; I262-Y277 CarbonylContact O-C 3.49Å; I262-Y277 WeakPolarHBondContact O-CA 3.15Å; S263-Y277 VanDerWaalsContact OG-CE1 3.31Å; S263-Y277 WeakPolarHBondContact OG-CE1 3.36Å; A274-Y277 HydrophobicContact CB-CE2 3.94Å; A274-Y277 WeakPolarHBondContact CB-OH 3.37Å; Y277-L328 HydrophobicContact CD2-CD1 3.44Å; Y277-L328 VanDerWaalsContact CD2-CD1 3.44Å; Y277-L328 HydrophobicContact CE2-CD1 3.8Å; Y277-L328 HydrophobicContact CG-CD1 4.46Å |
| 278 | L | 80.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 130.3 | -179.9 | -48.4 | -179.3 | 0 | 0 | 0 | 109.7 | F229 I232 R248 F261 I262 I264 A276 L282 I285 | F229-L278 HydrophobicContact CD2-CD1 3.81Å; F229-L278 HydrophobicContact CE1-CD1 4.49Å; F229-L278 HydrophobicContact CE2-CD1 3.49Å; F229-L278 VanDerWaalsContact CE2-CD1 3.49Å; F229-L278 HydrophobicContact CG-CD1 4.43Å; F229-L278 HydrophobicContact CZ-CD1 3.84Å; I232-L278 HydrophobicContact CD1-CB 4.22Å; I232-L278 HydrophobicContact CD1-CD1 3.57Å; R248-L278 HydrophobicContact CG-CD2 3.96Å; F261-L278 WeakPolarHBondContact CA-O 3.29Å; I262-L278 HydrophobicContact CB-CB 4.22Å; I262-L278 PolarHBondContact N-O 2.81Å; I262-L278 PolarHBondContact O-N 2.71Å; I264-L278 HydrophobicContact CD1-CD1 3.64Å; I264-L278 HydrophobicContact CD1-CG 3.67Å; A276-L278 HydrophobicContact CB-CD2 4.27Å; L278-L282 HydrophobicContact CB-CD1 3.89Å; L278-L282 HydrophobicContact CD2-CD1 4.13Å; L278-L282 HydrophobicContact CG-CD1 4.47Å; L278-I285 HydrophobicContact CD1-CD1 4.38Å; L278-I285 HydrophobicContact CD2-CD1 4.03Å |
| 279 | C | 74.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151.8 | -174.4 | -66.8 | 0 | 0 | 0 | 0 | 109.8 | M237 E247 C249 F261 | M237-C279 HydrophobicContact CE-CB 4.16Å; E247-C279 CarbonylContact C-O 3.54Å; E247-C279 PolarHBondContact O-N 2.82Å; C249-C279 HydrophobicContact CB-CB 4.21Å; C249-C279 WeakPolarHBondContact CB-SG 3.46Å; C249-C279 WeakPolarHBondContact SG-CB 3.29Å; C249-C279 CovalentContact SG-SG 2.01Å; C249-C279 PolarHBondContact SG-SG 3.06Å; F261-C279 VanDerWaalsContact CB-SG 3.57Å |
| 280 | T | 72 | Confident | 76 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 63.1 | -139.1 | 174.5 | 82.3 | 0 | 0 | 0 | 0 | 114.7 | I232 L234 M237 I246 E247 | I232-T280 WeakPolarHBondContact CG2-O 3.48Å; L234-T280 WeakPolarHBondContact CB-O 3.44Å; L234-T280 PolarHBondContact N-O 3.19Å; M237-T280 HydrophobicContact CG-CG2 4.04Å; I246-T280 WeakPolarHBondContact O-CG2 3.31Å; I246-T280 PolarHBondContact O-OG1 3.25Å; E247-T280 VanDerWaalsContact CA-OG1 3.27Å; E247-T280 WeakPolarHBondContact CA-OG1 3.32Å |
| 281 | N | 72.2 | Confident | 76.5 | Confident | 73 Ų | 73 | 30.1 Ų | 30.1 | 39% | 0.39 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121 | -173.8 | -59.5 | -23.1 | 0 | 0 | 0 | 110.4 | I232 Q233 L234 E247 | I232-N281 CarbonylContact O-C 3.54Å; I232-N281 WeakPolarHBondContact O-CA 3.45Å; Q233-N281 WeakPolarHBondContact CA-OD1 3.35Å; L234-N281 PolarHBondContact N-OD1 3.48Å; L234-N281 PolarHBondContact O-OD1 3.45Å; E247-N281 VanDerWaalsContact CD-O 3.31Å |
| 282 | L | 67.9 | Low | 77.2 | Confident | 12 Ų | 12 | 27.7 Ų | 27.7 | 6% | 0.063 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 149.7 | 180 | -71.6 | 163 | 0 | 0 | 0 | 109.7 | S231 I232 E247 R248 L278 I285 | S231-L282 CarbonylContact C-O 3.52Å; I232-L282 HydrophobicContact CB-CB 4.03Å; I232-L282 HydrophobicContact CD1-CB 4.1Å; I232-L282 HydrophobicContact CD1-CD1 4.25Å; I232-L282 HydrophobicContact CG1-CB 4.3Å; I232-L282 PolarHBondContact N-O 2.93Å; I232-L282 PolarHBondContact O-N 3.22Å; E247-L282 HydrophobicContact CB-CD2 3.41Å; E247-L282 VanDerWaalsContact CB-CD2 3.41Å; E247-L282 HydrophobicContact CB-CG 4.04Å; E247-L282 HydrophobicContact CG-CD2 4.3Å; E247-L282 WeakPolarHBondContact O-CD1 3.43Å; E247-L282 WeakPolarHBondContact OE2-CD2 3.45Å; R248-L282 HydrophobicContact CG-CD1 4.17Å; L278-L282 HydrophobicContact CB-CD1 3.89Å; L278-L282 HydrophobicContact CD2-CD1 4.13Å; L278-L282 HydrophobicContact CG-CD1 4.47Å; L282-I285 HydrophobicContact CB-CD1 3.55Å; L282-I285 HydrophobicContact CB-CG1 4.36Å; L282-I285 HydrophobicContact CD1-CD1 3.26Å; L282-I285 HydrophobicContact CD2-CD1 3.77Å; L282-I285 HydrophobicContact CG-CD1 3.69Å |
| 283 | V | 69.6 | Low | 77.7 | Confident | 100 Ų | 100 | 29 Ų | 29 | 61% | 0.606 | 15% | 0.152 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 143.9 | 176.2 | -68 | 0 | 0 | 0 | 0 | 110.6 | I285 | V283-I285 PolarHBondContact O-N 2.87Å |
| 284 | N | 65.7 | Low | 78.2 | Confident | 69 Ų | 69 | 24.3 Ų | 24.3 | 37% | 0.369 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.4 | 47.2 | 174.1 | -57.1 | -48.9 | 0 | 0 | 0 | 115.1 | F229 H230 I426 | F229-N284 CarbonylContact O-C 3.53Å; F229-N284 WeakPolarHBondContact O-CA 3.4Å; F229-N284 PolarHBondContact O-N 2.8Å; H230-N284 PolarHBondContact O-N 2.83Å; N284-I426 HydrophobicContact CB-CD1 4.04Å; N284-I426 WeakPolarHBondContact O-CD1 3.48Å |
| 285 | I | 69.5 | Low | 78.8 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.036 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 134.6 | 171.5 | -71.4 | 174.3 | 0 | 0 | 0 | 109.6 | T228 F229 L278 L282 V283 L287 | T228-I285 CarbonylContact C-O 3.56Å; T228-I285 VanDerWaalsContact CA-O 3.27Å; T228-I285 WeakPolarHBondContact CA-O 3.46Å; F229-I285 HydrophobicContact CB-CB 4.36Å; F229-I285 HydrophobicContact CD2-CG2 4.36Å; F229-I285 PolarHBondContact N-O 2.96Å; F229-I285 PolarHBondContact O-N 2.76Å; L278-I285 HydrophobicContact CD1-CD1 4.38Å; L278-I285 HydrophobicContact CD2-CD1 4.03Å; L282-I285 HydrophobicContact CB-CD1 3.55Å; L282-I285 HydrophobicContact CB-CG1 4.36Å; L282-I285 HydrophobicContact CD1-CD1 3.26Å; L282-I285 HydrophobicContact CD2-CD1 3.77Å; L282-I285 HydrophobicContact CG-CD1 3.69Å; V283-I285 PolarHBondContact O-N 2.87Å; I285-L287 HydrophobicContact CG2-CG 4.18Å |
| 286 | Q | 73.1 | Confident | 79.6 | Confident | 31 Ų | 31 | 25.1 Ų | 25.1 | 15% | 0.145 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.8 | 168.7 | -171.1 | 169.1 | 95.7 | 0 | 0 | 111.2 | I226 L227 T228 H428 | I226-Q286 VanDerWaalsContact CG2-CD 3.48Å; I226-Q286 HydrophobicContact CG2-CG 3.58Å; L227-Q286 CarbonylContact O-C 3.48Å; L227-Q286 VanDerWaalsContact O-CA 3.26Å; L227-Q286 WeakPolarHBondContact O-CA 3.26Å; T228-Q286 PolarHBondContact OG1-NE2 2.78Å; Q286-H428 PolarHBondContact O-NE2 3.19Å |
| 287 | L | 77.7 | Confident | 80.3 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137 | 173.9 | -64.6 | 172.5 | 0 | 0 | 0 | 109 | I226 L227 I264 L275 A276 I285 S325 | I226-L287 CarbonylContact C-O 3.5Å; I226-L287 WeakPolarHBondContact CA-O 3.18Å; L227-L287 PolarHBondContact N-O 2.74Å; L227-L287 PolarHBondContact O-N 2.81Å; I264-L287 HydrophobicContact CB-CD1 4.16Å; I264-L287 HydrophobicContact CD1-CD1 3.84Å; I264-L287 HydrophobicContact CG1-CD1 3.91Å; I264-L287 HydrophobicContact CG2-CD1 4.22Å; L275-L287 HydrophobicContact CD2-CB 4.2Å; A276-L287 HydrophobicContact CB-CD1 3.85Å; A276-L287 HydrophobicContact CB-CD2 4.26Å; I285-L287 HydrophobicContact CG2-CG 4.18Å; L287-S325 WeakPolarHBondContact CA-OG 3.23Å |
| 288 | V | 76.1 | Confident | 80.9 | Confident | 11 Ų | 11 | 24.8 Ų | 24.8 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.8 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | I225 I226 V322 L323 S325 | I225-V288 WeakPolarHBondContact O-CA 3.47Å; I226-V288 HydrophobicContact CG1-CG2 4.34Å; V288-V322 HydrophobicContact CG1-CB 3.91Å; V288-V322 HydrophobicContact CG1-CG2 3.83Å; V288-L323 WeakPolarHBondContact CB-O 3.13Å; V288-L323 WeakPolarHBondContact CG1-O 3.4Å; V288-S325 PolarHBondContact N-OG 3.05Å; V288-S325 PolarHBondContact O-N 2.79Å |
| 289 | S | 83 | Confident | 81.3 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -71.6 | 149.2 | 178.5 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | R224 I225 S291 | R224-S289 VanDerWaalsContact CD-O 3.31Å; R224-S289 WeakPolarHBondContact CD-O 3.13Å; I225-S289 WeakPolarHBondContact CD1-OG 3.09Å; I225-S289 PolarHBondContact N-OG 3.29Å; I225-S289 PolarHBondContact O-N 2.87Å; S289-S291 VanDerWaalsContact CB-O 3.28Å; S289-S291 WeakPolarHBondContact CB-O 3.33Å; S289-S291 PolarHBondContact OG-O 3.19Å | ||
| 290 | H | 79.2 | Confident | 81.9 | Confident | 60 Ų | 60 | 26.5 Ų | 26.5 | 28% | 0.278 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -85.4 | -27.9 | 164 | -55.9 | 80.1 | 0 | 0 | 0 | 112.3 | R224 E266 P324 S325 F327 | R224-H290 WeakPolarHBondContact CD-O 3.34Å; R224-H290 VanDerWaalsContact CZ-O 3.31Å; R224-H290 VanDerWaalsContact NE-C 3.34Å; R224-H290 PolarHBondContact NE-O 2.89Å; R224-H290 PolarHBondContact NH2-O 2.65Å; E266-H290 WeakPolarHBondContact OE1-CB 3.49Å; E266-H290 IonicContact OE1-CG 2.83Å; E266-H290 PolarHBondContact OE1-N 3.32Å; E266-H290 IonicContact OE1-ND1 3.66Å; E266-H290 PolarHBondContact OE1-ND1 3.26Å; E266-H290 WeakPolarHBondContact OE2-CB 3.35Å; H290-P324 HydrophobicContact CB-CB 4.17Å; H290-P324 WeakPolarHBondContact CD2-CB 3.09Å; H290-P324 WeakPolarHBondContact CD2-CG 3.13Å; H290-P324 VanDerWaalsContact CG-CB 3.43Å; H290-S325 PolarHBondContact CE1-O 2.97Å; H290-S325 PolarHBondContact NE2-O 2.85Å; H290-F327 HydrophobicContact CB-CZ 4.29Å; H290-F327 AromaticContact CD2-CE2 3.85Å; H290-F327 AromaticContact CE1-CD2 3.59Å; H290-F327 AromaticContact CE1-CE1 3.83Å; H290-F327 AromaticContact CE1-CE2 3.16Å; H290-F327 WeakPolarHBondContact CE1-CE2 3.31Å; H290-F327 AromaticContact CE1-CZ 3.3Å; H290-F327 WeakPolarHBondContact CE1-CZ 3.13Å; H290-F327 AromaticContact CG-CE2 3.92Å; H290-F327 AromaticContact CG-CZ 3.71Å; H290-F327 AromaticContact ND1-CE1 3.72Å; H290-F327 AromaticContact ND1-CE2 3.54Å; H290-F327 AromaticContact ND1-CZ 3.18Å; H290-F327 WeakPolarHBondContact ND1-CZ 3.34Å; H290-F327 AromaticContact NE2-CD2 3.89Å; H290-F327 AromaticContact NE2-CE2 3.41Å; H290-F327 WeakPolarHBondContact NE2-CE2 2.9Å; H290-F327 AromaticContact NE2-CZ 3.93Å |
| 291 | S | 87.3 | Confident | 82.5 | Confident | 16 Ų | 16 | 28.8 Ų | 28.8 | 11% | 0.112 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -108.7 | 164.1 | -179.3 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | E266 S289 I293 | E266-S291 WeakPolarHBondContact CB-OG 3.35Å; E266-S291 WeakPolarHBondContact OE2-CB 2.98Å; E266-S291 PolarHBondContact OE2-N 3.48Å; E266-S291 PolarHBondContact OE2-OG 2.84Å; S289-S291 VanDerWaalsContact CB-O 3.28Å; S289-S291 WeakPolarHBondContact CB-O 3.33Å; S289-S291 PolarHBondContact OG-O 3.19Å; S291-I293 PolarHBondContact O-N 3.19Å; S291-I293 PolarHBondContact OG-O 3.33Å; S291-I293 VanDerWaalsContact OG-O 3.12Å |
| 292 | P | 91.2 | Very high | 82.6 | Confident | 38 Ų | 38 | 25.3 Ų | 25.3 | 25% | 0.247 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -77.5 | 4.3 | 175.9 | 32.6 | -37.4 | 0 | 0 | 0 | 113.5 | A219 N220 I225 | A219-P292 HydrophobicContact CB-CB 4.23Å; A219-P292 PolarHBondContact N-O 3.19Å; N220-P292 WeakPolarHBondContact O-CB 3.26Å; I225-P292 VanDerWaalsContact CD1-C 3.44Å; I225-P292 WeakPolarHBondContact CD1-O 3.37Å |
| 293 | I | 93.8 | Very high | 82.8 | Confident | 53 Ų | 53 | 28 Ų | 28 | 27% | 0.272 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 117.2 | 179.6 | -51.9 | 178 | 0 | 0 | 0 | 110.1 | I216 F217 K218 M267 S291 | I216-I293 HydrophobicContact CG2-CG2 4.3Å; F217-I293 WeakPolarHBondContact O-CA 2.86Å; K218-I293 HydrophobicContact CG-CG1 4.4Å; K218-I293 HydrophobicContact CG-CG2 4.23Å; M267-I293 HydrophobicContact CB-CB 4.29Å; M267-I293 HydrophobicContact CB-CG2 3.85Å; M267-I293 HydrophobicContact CG-CG2 4.34Å; M267-I293 PolarHBondContact N-O 2.83Å; M267-I293 VanDerWaalsContact N-O 3.16Å; M267-I293 HydrophobicContact SD-CG2 4.16Å; S291-I293 PolarHBondContact O-N 3.19Å; S291-I293 PolarHBondContact OG-O 3.33Å; S291-I293 VanDerWaalsContact OG-O 3.12Å |
| 294 | L | 93.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 135.2 | 177.6 | -169.7 | 160.5 | 0 | 0 | 0 | 109.5 | F217 I225 L227 I264 L275 | F217-L294 HydrophobicContact CD2-CD2 4.14Å; F217-L294 PolarHBondContact N-O 2.69Å; F217-L294 PolarHBondContact O-N 2.85Å; I225-L294 HydrophobicContact CB-CB 4.44Å; I225-L294 HydrophobicContact CD1-CB 4.32Å; L227-L294 HydrophobicContact CD1-CD1 4.16Å; L227-L294 HydrophobicContact CD1-CD2 3.41Å; L227-L294 VanDerWaalsContact CD1-CD2 3.41Å; L227-L294 HydrophobicContact CD1-CG 4.44Å; L227-L294 HydrophobicContact CG-CD1 4.28Å; L227-L294 HydrophobicContact CG-CD2 4.24Å; I264-L294 HydrophobicContact CG2-CD1 4.02Å; I264-L294 HydrophobicContact CG2-CD2 3.57Å; I264-L294 HydrophobicContact CG2-CG 3.93Å; L275-L294 HydrophobicContact CD2-CD1 4.44Å |
| 295 | R | 93.9 | Very high | 82.7 | Confident | 35 Ų | 35 | 32.9 Ų | 32.9 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.8 | 177.3 | 172.1 | 178.8 | 170.1 | 178.1 | -7.6 | 110.1 | R214 F215 I264 S265 M267 D297 | R214-R295 HydrophobicContact CG-CG 4.29Å; F215-R295 WeakPolarHBondContact O-CA 3.41Å; I264-R295 CarbonylContact C-O 3.56Å; I264-R295 WeakPolarHBondContact CA-O 3.04Å; S265-R295 PolarHBondContact N-O 3.32Å; S265-R295 PolarHBondContact O-N 2.94Å; S265-R295 PolarHBondContact OG-O 3.14Å; M267-R295 HydrophobicContact CG-CB 3.9Å; M267-R295 HydrophobicContact SD-CB 3.72Å; M267-R295 HydrophobicContact SD-CG 4.35Å; R295-D297 IonicContact CZ-OD1 2.68Å; R295-D297 IonicContact CZ-OD2 2.72Å; R295-D297 VanDerWaalsContact NE-CG 3.26Å; R295-D297 IonicContact NE-OD1 3.2Å; R295-D297 PolarHBondContact NE-OD1 3.48Å; R295-D297 IonicContact NE-OD2 3.19Å; R295-D297 PolarHBondContact NE-OD2 3.02Å; R295-D297 VanDerWaalsContact NH2-CG 3.26Å; R295-D297 IonicContact NH2-OD1 3.73Å; R295-D297 PolarHBondContact NH2-OD1 3.08Å; R295-D297 IonicContact NH2-OD2 3.76Å; R295-D297 PolarHBondContact NH2-OD2 3.32Å |
| 296 | L | 93.8 | Very high | 82.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.4 | 171.1 | -179.8 | 167.8 | 0 | 0 | 0 | 108 | F198 F215 F217 L227 F229 I262 S263 I264 F298 F310 | F198-L296 HydrophobicContact CD2-CD1 4.22Å; F198-L296 HydrophobicContact CE2-CD1 3.55Å; F198-L296 HydrophobicContact CZ-CD1 4.17Å; F215-L296 HydrophobicContact CB-CB 4.22Å; F215-L296 HydrophobicContact CB-CD2 4.49Å; F215-L296 HydrophobicContact CD2-CD2 3.52Å; F215-L296 HydrophobicContact CE2-CD2 4.06Å; F215-L296 HydrophobicContact CG-CD2 4.26Å; F215-L296 PolarHBondContact N-O 2.9Å; F215-L296 PolarHBondContact O-N 3.22Å; F217-L296 HydrophobicContact CE2-CB 4.27Å; L227-L296 HydrophobicContact CD1-CD1 4.18Å; F229-L296 HydrophobicContact CE1-CD1 3.94Å; F229-L296 HydrophobicContact CE2-CD1 4.43Å; F229-L296 HydrophobicContact CZ-CD1 3.43Å; F229-L296 VanDerWaalsContact CZ-CD1 3.43Å; F229-L296 HydrophobicContact CZ-CG 4.44Å; I262-L296 HydrophobicContact CG2-CD1 4.11Å; I262-L296 HydrophobicContact CG2-CD2 3.66Å; I262-L296 HydrophobicContact CG2-CG 3.58Å; S263-L296 CarbonylContact O-C 3.52Å; S263-L296 WeakPolarHBondContact O-CA 3.22Å; I264-L296 HydrophobicContact CG1-CG 4.35Å; L296-F298 HydrophobicContact CD2-CB 4.46Å; L296-F310 HydrophobicContact CD2-CZ 4.26Å |
| 297 | D | 92.9 | Very high | 82.7 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.9 | 170 | -65.8 | -71.7 | 0 | 0 | 0 | 109.3 | C213 R214 I262 S263 R295 I299 | C213-D297 WeakPolarHBondContact O-CA 3.25Å; R214-D297 IonicContact NE-OD1 3.54Å; I262-D297 CarbonylContact C-O 3.58Å; I262-D297 VanDerWaalsContact CA-O 3.31Å; I262-D297 WeakPolarHBondContact CA-O 3.38Å; S263-D297 PolarHBondContact N-O 3.46Å; S263-D297 PolarHBondContact O-N 3.18Å; R295-D297 IonicContact CZ-OD1 2.68Å; R295-D297 IonicContact CZ-OD2 2.72Å; R295-D297 VanDerWaalsContact NE-CG 3.26Å; R295-D297 IonicContact NE-OD1 3.2Å; R295-D297 PolarHBondContact NE-OD1 3.48Å; R295-D297 IonicContact NE-OD2 3.19Å; R295-D297 PolarHBondContact NE-OD2 3.02Å; R295-D297 VanDerWaalsContact NH2-CG 3.26Å; R295-D297 IonicContact NH2-OD1 3.73Å; R295-D297 PolarHBondContact NH2-OD1 3.08Å; R295-D297 IonicContact NH2-OD2 3.76Å; R295-D297 PolarHBondContact NH2-OD2 3.32Å; D297-I299 HydrophobicContact CB-CD1 4.34Å; D297-I299 HydrophobicContact CB-CG1 4.36Å |
| 298 | F | 91.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 122.2 | 166.2 | 172.3 | -129.7 | 0 | 0 | 0 | 109.2 | Y207 I211 K212 C213 F215 L234 I262 L296 F310 | Y207-F298 HydrophobicContact CD1-CZ 4.05Å; Y207-F298 AromaticContact CD2-CE1 3.92Å; Y207-F298 HydrophobicContact CD2-CE1 3.92Å; Y207-F298 AromaticContact CD2-CZ 3.47Å; Y207-F298 HydrophobicContact CD2-CZ 3.47Å; Y207-F298 VanDerWaalsContact CD2-CZ 3.47Å; Y207-F298 HydrophobicContact CE1-CZ 4.2Å; Y207-F298 AromaticContact CE2-CZ 3.69Å; Y207-F298 HydrophobicContact CE2-CZ 3.69Å; Y207-F298 AromaticContact CG-CE1 3.98Å; Y207-F298 HydrophobicContact CG-CE1 3.98Å; Y207-F298 AromaticContact CG-CZ 3.67Å; Y207-F298 HydrophobicContact CG-CZ 3.67Å; I211-F298 HydrophobicContact CG2-CE1 4.09Å; K212-F298 WeakPolarHBondContact CA-O 3.38Å; C213-F298 HydrophobicContact CB-CB 4.28Å; C213-F298 HydrophobicContact CB-CD1 4.38Å; C213-F298 PolarHBondContact N-O 2.02Å; C213-F298 PolarHBondContact O-N 3.16Å; F215-F298 HydrophobicContact CE2-CB 4.41Å; L234-F298 HydrophobicContact CD1-CE2 4.4Å; L234-F298 HydrophobicContact CD2-CD2 4.46Å; L234-F298 HydrophobicContact CD2-CE2 3.58Å; L234-F298 HydrophobicContact CD2-CZ 4.12Å; I262-F298 HydrophobicContact CG1-CD2 3.88Å; L296-F298 HydrophobicContact CD2-CB 4.46Å; F298-F310 HydrophobicContact CB-CE1 3.75Å; F298-F310 HydrophobicContact CB-CZ 4.06Å; F298-F310 AromaticContact CD1-CE1 3.92Å; F298-F310 HydrophobicContact CD1-CE1 3.92Å; F298-F310 HydrophobicContact CD2-CD1 4.43Å; F298-F310 AromaticContact CD2-CE1 3.82Å; F298-F310 HydrophobicContact CD2-CE1 3.82Å; F298-F310 HydrophobicContact CE1-CE1 4.47Å; F298-F310 HydrophobicContact CE2-CE1 4.39Å; F298-F310 AromaticContact CG-CE1 3.55Å; F298-F310 HydrophobicContact CG-CE1 3.55Å; F298-F310 HydrophobicContact CG-CZ 4.29Å |
| 299 | I | 90.4 | Very high | 83 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 15% | 0.154 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 111 | -176.3 | -60.2 | 171.5 | 0 | 0 | 0 | 108.3 | K212 D260 F261 D297 R301 | K212-I299 HydrophobicContact CG-CG1 4.23Å; D260-I299 VanDerWaalsContact CA-O 3.24Å; D260-I299 WeakPolarHBondContact CA-O 3.03Å; F261-I299 HydrophobicContact CD1-CB 4.21Å; F261-I299 HydrophobicContact CE1-CB 3.74Å; F261-I299 HydrophobicContact CE1-CD1 4.1Å; F261-I299 HydrophobicContact CE1-CG1 4.48Å; F261-I299 HydrophobicContact CE1-CG2 3.82Å; F261-I299 HydrophobicContact CE2-CD1 3.92Å; F261-I299 HydrophobicContact CZ-CB 3.98Å; F261-I299 HydrophobicContact CZ-CD1 3.44Å; F261-I299 VanDerWaalsContact CZ-CD1 3.44Å; F261-I299 HydrophobicContact CZ-CG1 4.22Å; F261-I299 HydrophobicContact CZ-CG2 4.27Å; F261-I299 PolarHBondContact N-O 2.77Å; F261-I299 PolarHBondContact O-N 2.75Å; D297-I299 HydrophobicContact CB-CD1 4.34Å; D297-I299 HydrophobicContact CB-CG1 4.36Å; I299-R301 HydrophobicContact CG2-CG 3.8Å |
| 300 | S | 87.4 | Confident | 83.1 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | trans | -97.7 | 113.8 | 170.5 | 175.2 | 0 | 0 | 0 | 0 | 108.4 | P208 N210 I211 D260 | P208-S300 PolarHBondContact O-OG 3.17Å; N210-S300 CarbonylContact C-O 3.59Å; N210-S300 WeakPolarHBondContact CA-O 3.35Å; N210-S300 PolarHBondContact N-O 3.35Å; N210-S300 PolarHBondContact N-OG 2.79Å; I211-S300 PolarHBondContact N-O 2.85Å; I211-S300 WeakPolarHBondContact O-CB 3.46Å; I211-S300 PolarHBondContact O-N 3Å; D260-S300 VanDerWaalsContact OD1-CA 3.28Å; D260-S300 WeakPolarHBondContact OD1-CA 3.44Å | ||
| 301 | R | 83.4 | Confident | 83 | Confident | 50 Ų | 50 | 36.5 Ų | 36.5 | 19% | 0.189 | 18% | 0.177 | C | C | . | . | trans | -105.1 | -11.8 | 179.1 | -61.3 | -174.3 | 177.4 | 150.8 | -7.6 | 112.3 | N210 V257 D260 F261 I299 | N210-R301 PolarHBondContact OD1-O 3.33Å; V257-R301 WeakPolarHBondContact O-CB 3.07Å; V257-R301 WeakPolarHBondContact O-CD 3.41Å; D260-R301 PolarHBondContact OD1-N 3.36Å; F261-R301 VanDerWaalsContact CE1-CZ 3.48Å; I299-R301 HydrophobicContact CG2-CG 3.8Å | ||
| 302 | S | 74.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -69.6 | 134 | 179.1 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | P209 N210 K235 D260 F304 | P209-S302 WeakPolarHBondContact CA-O 3.05Å; P209-S302 WeakPolarHBondContact CB-O 3.23Å; N210-S302 PolarHBondContact N-O 2.93Å; N210-S302 PolarHBondContact OD1-O 3.25Å; K235-S302 WeakPolarHBondContact CD-OG 3.25Å; K235-S302 PolarHBondContact NZ-OG 2.97Å; D260-S302 PolarHBondContact OD1-N 3.17Å; S302-F304 WeakPolarHBondContact CB-O 3.13Å; S302-F304 PolarHBondContact O-N 2.79Å; S302-F304 PolarHBondContact OG-N 2.76Å; S302-F304 PolarHBondContact OG-O 2.85Å | ||
| 303 | P | 72.3 | Confident | 81.9 | Confident | 68 Ų | 68 | 34.2 Ų | 34.2 | 44% | 0.442 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -72.1 | -10.3 | 171.7 | 29.6 | -33.6 | 0 | 0 | 0 | 113.1 | ||
| 304 | F | 68.7 | Low | 81.4 | Confident | 139 Ų | 139 | 32.4 Ų | 32.4 | 61% | 0.61 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -120.8 | 142.5 | -179.4 | -51.2 | -70.1 | 0 | 0 | 0 | 111 | S302 Q306 | S302-F304 WeakPolarHBondContact CB-O 3.13Å; S302-F304 PolarHBondContact O-N 2.79Å; S302-F304 PolarHBondContact OG-N 2.76Å; S302-F304 PolarHBondContact OG-O 2.85Å; F304-Q306 HydrophobicContact CB-CG 4.42Å; F304-Q306 PolarHBondContact O-N 3.22Å |
| 305 | Y | 65.4 | Low | 80.7 | Confident | 134 Ų | 134 | 33.9 Ų | 33.9 | 53% | 0.525 | 16% | 0.158 | S | C | . | . | trans | -60 | 119.7 | 172.3 | -62.2 | -99.8 | 0 | 0 | 0 | 110.6 | N206 Y207 P209 | N206-Y305 HydrophobicContact CB-CD1 4.24Å; Y207-Y305 WeakPolarHBondContact O-CD1 3.14Å; P209-Y305 VanDerWaalsContact CD-CE2 3.41Å; P209-Y305 HydrophobicContact CG-CD2 4.06Å; P209-Y305 HydrophobicContact CG-CE1 4.43Å; P209-Y305 HydrophobicContact CG-CE2 3.75Å; P209-Y305 HydrophobicContact CG-CG 4.49Å | ||
| 306 | Q | 66.4 | Low | 80.2 | Confident | 89 Ų | 89 | 32.3 Ų | 32.3 | 42% | 0.416 | 15% | 0.152 | S | C | . | . | trans | -142.7 | 29.6 | -175.7 | -69.7 | -165.7 | 16.5 | 0 | 0 | 115 | K235 F304 | K235-Q306 VanDerWaalsContact CA-O 3.29Å; K235-Q306 WeakPolarHBondContact CA-O 3.31Å; K235-Q306 HydrophobicContact CB-CB 3.68Å; K235-Q306 HydrophobicContact CD-CB 3.82Å; K235-Q306 HydrophobicContact CD-CG 4.19Å; K235-Q306 HydrophobicContact CG-CB 3.69Å; K235-Q306 HydrophobicContact CG-CG 4.41Å; K235-Q306 PolarHBondContact N-O 3.3Å; F304-Q306 HydrophobicContact CB-CG 4.42Å; F304-Q306 PolarHBondContact O-N 3.22Å | ||
| 307 | G | 75 | Confident | 79.3 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | trans | -173.1 | 159.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N206 Y207 Q233 G309 | N206-G307 WeakPolarHBondContact CA-O 3.3Å; N206-G307 WeakPolarHBondContact CB-O 3.22Å; N206-G307 PolarHBondContact OD1-O 2.62Å; Y207-G307 WeakPolarHBondContact CD1-O 3.26Å; Y207-G307 VanDerWaalsContact CE1-C 3.5Å; Y207-G307 VanDerWaalsContact CE1-O 3.28Å; Y207-G307 WeakPolarHBondContact CE1-O 3.41Å; Y207-G307 PolarHBondContact N-O 3.2Å; Q233-G307 CarbonylContact O-C 3.46Å; Q233-G307 VanDerWaalsContact O-CA 3.26Å; Q233-G307 WeakPolarHBondContact O-CA 3.31Å; G307-G309 PolarHBondContact O-N 2.88Å | ||
| 308 | Q | 77.4 | Confident | 78.6 | Confident | 50 Ų | 50 | 35.3 Ų | 35.3 | 23% | 0.234 | 17% | 0.166 | C | C | . | . | trans | -71.2 | -17.4 | 175.9 | -158.7 | -179.3 | 30.6 | 0 | 0 | 112.2 | Y203 P204 S205 Q233 | Y203-Q308 WeakPolarHBondContact CD2-O 3.36Å; Y203-Q308 HydrophobicContact CE2-CG 4.45Å; P204-Q308 WeakPolarHBondContact O-CG 3.28Å; P204-Q308 PolarHBondContact O-NE2 3Å; S205-Q308 VanDerWaalsContact O-O 3.06Å; Q233-Q308 HydrophobicContact CB-CB 3.88Å; Q233-Q308 HydrophobicContact CG-CB 4.46Å; Q233-Q308 PolarHBondContact O-N 2.8Å; Q233-Q308 VanDerWaalsContact O-N 3.16Å | ||
| 309 | G | 84.1 | Confident | 77.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 89 | -144.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S200 I232 Q233 G307 | S200-G309 VanDerWaalsContact OG-CA 3.25Å; S200-G309 WeakPolarHBondContact OG-CA 2.99Å; I232-G309 CarbonylContact C-O 3.55Å; Q233-G309 PolarHBondContact N-O 3.47Å; Q233-G309 PolarHBondContact O-N 2.83Å; G307-G309 PolarHBondContact O-N 2.88Å |
| 310 | F | 84.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.8 | -175.7 | 61.4 | -95 | 0 | 0 | 0 | 113.3 | F198 F199 S200 Y203 F215 F229 S231 I232 I262 L296 F298 | F198-F310 HydrophobicContact CD2-CD2 4.23Å; F198-F310 AromaticContact CD2-CE2 3.8Å; F198-F310 HydrophobicContact CD2-CE2 3.8Å; F198-F310 HydrophobicContact CE2-CD2 4.04Å; F198-F310 AromaticContact CE2-CE2 3.9Å; F198-F310 HydrophobicContact CE2-CE2 3.9Å; F199-F310 CarbonylContact C-O 3.55Å; F199-F310 VanDerWaalsContact CA-O 3.27Å; F199-F310 WeakPolarHBondContact CA-O 3.21Å; S200-F310 VanDerWaalsContact N-CE2 3.28Å; S200-F310 PolarHBondContact N-O 2.95Å; S200-F310 PolarHBondContact OG-N 3.4Å; S200-F310 PolarHBondContact OG-O 2.8Å; Y203-F310 WeakPolarHBondContact CD2-O 3.48Å; F215-F310 AromaticContact CE2-CZ 3.89Å; F215-F310 HydrophobicContact CE2-CZ 3.89Å; F215-F310 HydrophobicContact CZ-CE2 4.36Å; F215-F310 AromaticContact CZ-CZ 3.99Å; F215-F310 HydrophobicContact CZ-CZ 3.99Å; F229-F310 HydrophobicContact CD1-CB 4.36Å; F229-F310 HydrophobicContact CD1-CD2 4.35Å; F229-F310 HydrophobicContact CE1-CD2 4.07Å; F229-F310 HydrophobicContact CE1-CG 4.35Å; S231-F310 CarbonylContact O-C 3.57Å; S231-F310 WeakPolarHBondContact O-CA 3.2Å; S231-F310 WeakPolarHBondContact O-CB 3.4Å; I232-F310 HydrophobicContact CB-CB 4.36Å; I232-F310 HydrophobicContact CG1-CB 4.07Å; I232-F310 HydrophobicContact CG2-CB 4.41Å; I262-F310 HydrophobicContact CD1-CB 4.35Å; I262-F310 HydrophobicContact CD1-CD1 3.54Å; I262-F310 HydrophobicContact CD1-CE1 4Å; I262-F310 HydrophobicContact CD1-CG 3.99Å; I262-F310 HydrophobicContact CG1-CD1 4.17Å; I262-F310 HydrophobicContact CG1-CE1 4.16Å; L296-F310 HydrophobicContact CD2-CZ 4.26Å; F298-F310 HydrophobicContact CB-CE1 3.75Å; F298-F310 HydrophobicContact CB-CZ 4.06Å; F298-F310 AromaticContact CD1-CE1 3.92Å; F298-F310 HydrophobicContact CD1-CE1 3.92Å; F298-F310 HydrophobicContact CD2-CD1 4.43Å; F298-F310 AromaticContact CD2-CE1 3.82Å; F298-F310 HydrophobicContact CD2-CE1 3.82Å; F298-F310 HydrophobicContact CE1-CE1 4.47Å; F298-F310 HydrophobicContact CE2-CE1 4.39Å; F298-F310 AromaticContact CG-CE1 3.55Å; F298-F310 HydrophobicContact CG-CE1 3.55Å; F298-F310 HydrophobicContact CG-CZ 4.29Å |
| 311 | H | 77.2 | Confident | 75.3 | Confident | 39 Ų | 39 | 47.2 Ų | 47.2 | 18% | 0.181 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.4 | 168.4 | 160.5 | -127.4 | 0 | 0 | 0 | 109.1 | F199 Y203 H230 S231 | F199-H311 HydrophobicContact CD1-CB 3.65Å; F199-H311 AromaticContact CD1-CD2 3.53Å; F199-H311 AromaticContact CD1-CG 3.83Å; F199-H311 HydrophobicContact CE1-CB 3.77Å; F199-H311 AromaticContact CE1-CD2 2.88Å; F199-H311 WeakPolarHBondContact CE1-CD2 3.05Å; F199-H311 AromaticContact CE1-CG 3.41Å; F199-H311 VanDerWaalsContact CE1-CG 3.41Å; F199-H311 AromaticContact CE1-NE2 3.66Å; F199-H311 AromaticContact CZ-CD2 3.25Å; F199-H311 WeakPolarHBondContact CZ-CD2 3.05Å; F199-H311 AromaticContact CZ-NE2 3.7Å; Y203-H311 HydrophobicContact CD1-CB 3.96Å; Y203-H311 HydrophobicContact CD2-CB 4.38Å; Y203-H311 HydrophobicContact CE1-CB 3.47Å; Y203-H311 VanDerWaalsContact CE1-CB 3.47Å; Y203-H311 HydrophobicContact CE2-CB 3.94Å; Y203-H311 HydrophobicContact CG-CB 4.38Å; Y203-H311 VanDerWaalsContact CZ-CB 3.47Å; H230-H311 AromaticContact CD2-CE1 3.42Å; H230-H311 PolarHBondContact CD2-CE1 3.16Å; H230-H311 VanDerWaalsContact CD2-CE1 3.42Å; H230-H311 AromaticContact CD2-ND1 3.85Å; H230-H311 AromaticContact CD2-NE2 3.84Å; H230-H311 PolarHBondContact N-O 2.93Å; S231-H311 PolarHBondContact N-O 2.94Å; S231-H311 PolarHBondContact O-N 2.81Å |
| 312 | G | 78.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N197 F198 T228 | N197-G312 CarbonylContact C-O 3.51Å; N197-G312 VanDerWaalsContact CA-O 3.31Å; N197-G312 WeakPolarHBondContact CA-O 3.42Å; F198-G312 VanDerWaalsContact CD1-C 3.47Å; F198-G312 WeakPolarHBondContact CD1-O 3.49Å; F198-G312 PolarHBondContact N-O 2.89Å; F198-G312 PolarHBondContact O-N 2.04Å; F198-G312 VanDerWaalsContact O-O 3.11Å; T228-G312 CarbonylContact O-C 3.57Å; T228-G312 WeakPolarHBondContact O-CA 3.36Å |
| 313 | T | 75.6 | Confident | 73.4 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146 | 177.1 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | Y195 G196 N197 F198 T228 H230 | Y195-T313 HydrophobicContact CE1-CG2 4.47Å; Y195-T313 HydrophobicContact CE2-CG2 4.02Å; Y195-T313 WeakPolarHBondContact OH-CG2 3.14Å; G196-T313 CarbonylContact O-C 3.58Å; G196-T313 WeakPolarHBondContact O-CA 3.35Å; G196-T313 WeakPolarHBondContact O-CB 3.47Å; N197-T313 HydrophobicContact CB-CG2 4.42Å; N197-T313 VanDerWaalsContact OD1-CG2 3.22Å; N197-T313 WeakPolarHBondContact OD1-CG2 3.4Å; F198-T313 WeakPolarHBondContact CE1-O 3.44Å; T228-T313 PolarHBondContact N-O 3.3Å; T228-T313 PolarHBondContact O-N 3.12Å; H230-T313 WeakPolarHBondContact NE2-CG2 3.04Å; H230-T313 PolarHBondContact NE2-OG1 2.81Å |
| 314 | Y | 83.7 | Confident | 73.3 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 147.2 | 175.9 | 68 | -93.8 | 0 | 0 | 0 | 109.9 | F183 Y195 G196 F198 F217 I226 F316 | F183-Y314 HydrophobicContact CB-CE1 4.39Å; F183-Y314 HydrophobicContact CB-CE2 4.16Å; F183-Y314 HydrophobicContact CD1-CD1 4.44Å; F183-Y314 AromaticContact CD1-CE1 3.47Å; F183-Y314 HydrophobicContact CD1-CE1 3.47Å; F183-Y314 VanDerWaalsContact CD1-CE1 3.47Å; F183-Y314 AromaticContact CD1-CZ 3.51Å; F183-Y314 VanDerWaalsContact CD1-OH 3.32Å; F183-Y314 WeakPolarHBondContact CD1-OH 3.37Å; F183-Y314 AromaticContact CE1-CE1 3.81Å; F183-Y314 HydrophobicContact CE1-CE1 3.81Å; F183-Y314 AromaticContact CG-CE1 3.9Å; F183-Y314 HydrophobicContact CG-CE1 3.9Å; F183-Y314 AromaticContact CG-CZ 3.91Å; Y195-Y314 CarbonylContact C-O 3.37Å; Y195-Y314 VanDerWaalsContact CA-O 3.26Å; Y195-Y314 WeakPolarHBondContact CA-O 3.17Å; Y195-Y314 WeakPolarHBondContact CD2-O 3.24Å; G196-Y314 VanDerWaalsContact C-CE1 3.49Å; G196-Y314 VanDerWaalsContact CA-CE1 3.48Å; G196-Y314 PolarHBondContact N-O 2.82Å; G196-Y314 PolarHBondContact O-N 2.81Å; F198-Y314 HydrophobicContact CD1-CD1 4.17Å; F217-Y314 HydrophobicContact CD1-CD1 4.17Å; F217-Y314 HydrophobicContact CD1-CD2 4.12Å; F217-Y314 AromaticContact CD1-CG 3.8Å; F217-Y314 HydrophobicContact CD1-CG 3.8Å; F217-Y314 AromaticContact CE1-CD1 3.56Å; F217-Y314 HydrophobicContact CE1-CD1 3.56Å; F217-Y314 HydrophobicContact CE1-CD2 4.33Å; F217-Y314 HydrophobicContact CE1-CE1 4.27Å; F217-Y314 AromaticContact CE1-CG 3.58Å; F217-Y314 HydrophobicContact CE1-CG 3.58Å; I226-Y314 CarbonylContact O-C 3.5Å; I226-Y314 WeakPolarHBondContact O-CA 3.22Å; Y314-F316 HydrophobicContact CD2-CD2 4.47Å; Y314-F316 AromaticContact CD2-CE2 3.96Å; Y314-F316 HydrophobicContact CD2-CE2 3.96Å; Y314-F316 HydrophobicContact CD2-CZ 4.1Å; Y314-F316 HydrophobicContact CE2-CD2 4.32Å; Y314-F316 AromaticContact CE2-CE2 3.63Å; Y314-F316 HydrophobicContact CE2-CE2 3.63Å; Y314-F316 HydrophobicContact CE2-CZ 4.07Å |
| 315 | E | 78.7 | Confident | 73.1 | Confident | 32 Ų | 32 | 44.4 Ų | 44.4 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 134.9 | 172.1 | -162 | 171.1 | 132.1 | 0 | 0 | 113 | N194 Y195 I225 I226 V317 R422 | N194-E315 HydrophobicContact CB-CG 4.39Å; N194-E315 CarbonylContact O-C 3.49Å; N194-E315 WeakPolarHBondContact O-CA 3.3Å; N194-E315 WeakPolarHBondContact O-CG 3.4Å; Y195-E315 HydrophobicContact CD2-CB 4.19Å; Y195-E315 HydrophobicContact CD2-CG 4.39Å; I225-E315 CarbonylContact C-O 3.56Å; I225-E315 WeakPolarHBondContact CA-O 3.34Å; I226-E315 HydrophobicContact CB-CB 4.31Å; I226-E315 PolarHBondContact N-O 3.38Å; I226-E315 PolarHBondContact O-N 3.41Å; E315-V317 HydrophobicContact CB-CG1 4.35Å; E315-V317 HydrophobicContact CG-CG1 3.79Å; E315-V317 VanDerWaalsContact OE1-CG1 3.31Å; E315-V317 WeakPolarHBondContact OE1-CG1 3.16Å; E315-R422 IonicContact OE1-CZ 2.69Å; E315-R422 IonicContact OE1-NE 3.69Å; E315-R422 PolarHBondContact OE1-NE 2.86Å; E315-R422 IonicContact OE1-NH2 3.6Å; E315-R422 IonicContact OE2-CZ 2.94Å; E315-R422 IonicContact OE2-NE 2.6Å; E315-R422 PolarHBondContact OE2-NE 3.23Å; E315-R422 IonicContact OE2-NH2 2.99Å; E315-R422 PolarHBondContact OE2-NH2 2.89Å |
| 316 | F | 83.2 | Confident | 72.6 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 109.2 | 170.6 | -57.6 | -61 | 0 | 0 | 0 | 109.7 | F183 Y185 N194 F217 A219 R224 I225 Y314 | F183-F316 HydrophobicContact CB-CZ 4.32Å; Y185-F316 HydrophobicContact CD2-CB 3.84Å; Y185-F316 HydrophobicContact CD2-CD2 4.23Å; Y185-F316 HydrophobicContact CD2-CG 4.23Å; N194-F316 HydrophobicContact CB-CB 4.42Å; N194-F316 WeakPolarHBondContact CB-O 3.36Å; N194-F316 PolarHBondContact ND2-O 2.92Å; N194-F316 PolarHBondContact O-N 2.84Å; F217-F316 HydrophobicContact CB-CE1 4.27Å; A219-F316 HydrophobicContact CB-CD1 3.62Å; A219-F316 HydrophobicContact CB-CE1 4.07Å; A219-F316 HydrophobicContact CB-CG 4.5Å; R224-F316 WeakPolarHBondContact O-CA 3.42Å; I225-F316 HydrophobicContact CG1-CD1 3.87Å; I225-F316 HydrophobicContact CG1-CE1 3.78Å; Y314-F316 HydrophobicContact CD2-CD2 4.47Å; Y314-F316 AromaticContact CD2-CE2 3.96Å; Y314-F316 HydrophobicContact CD2-CE2 3.96Å; Y314-F316 HydrophobicContact CD2-CZ 4.1Å; Y314-F316 HydrophobicContact CE2-CD2 4.32Å; Y314-F316 AromaticContact CE2-CE2 3.63Å; Y314-F316 HydrophobicContact CE2-CE2 3.63Å; Y314-F316 HydrophobicContact CE2-CZ 4.07Å |
| 317 | V | 75.6 | Confident | 72.3 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 157.3 | -176.4 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | Q223 R224 I226 E315 V322 | Q223-V317 CarbonylContact C-O 3.55Å; Q223-V317 WeakPolarHBondContact CA-O 3.43Å; Q223-V317 VanDerWaalsContact CB-O 3.31Å; Q223-V317 WeakPolarHBondContact CB-O 3.32Å; R224-V317 HydrophobicContact CB-CG2 4.38Å; R224-V317 PolarHBondContact N-O 3.02Å; R224-V317 PolarHBondContact O-N 3.48Å; I226-V317 HydrophobicContact CD1-CB 4.46Å; I226-V317 HydrophobicContact CD1-CG1 3.74Å; I226-V317 HydrophobicContact CD1-CG2 3.89Å; I226-V317 HydrophobicContact CG1-CG1 4.37Å; I226-V317 HydrophobicContact CG1-CG2 3.85Å; E315-V317 HydrophobicContact CB-CG1 4.35Å; E315-V317 HydrophobicContact CG-CG1 3.79Å; E315-V317 VanDerWaalsContact OE1-CG1 3.31Å; E315-V317 WeakPolarHBondContact OE1-CG1 3.16Å; V317-V322 HydrophobicContact CB-CG1 4.44Å; V317-V322 HydrophobicContact CG2-CB 4.29Å; V317-V322 HydrophobicContact CG2-CG1 3.56Å; V317-V322 HydrophobicContact CG2-CG2 3.72Å |
| 318 | H | 76.4 | Confident | 71.4 | Confident | 67 Ų | 67 | 37.7 Ų | 37.7 | 31% | 0.31 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 142.7 | 173.2 | -168.9 | -95.1 | 0 | 0 | 0 | 110.1 | N222 S320 Q321 | N222-H318 PolarHBondContact ND2-CD2 3.34Å; N222-H318 VanDerWaalsContact ND2-CD2 3.33Å; N222-H318 PolarHBondContact ND2-NE2 2.88Å; N222-H318 PolarHBondContact O-CD2 3.27Å; H318-S320 PolarHBondContact ND1-N 3.11Å; H318-S320 PolarHBondContact ND1-OG 2.85Å; H318-S320 PolarHBondContact O-N 2.98Å; H318-S320 VanDerWaalsContact O-N 3.16Å; H318-Q321 HydrophobicContact CB-CG 4.18Å; H318-Q321 WeakPolarHBondContact O-CB 3.5Å; H318-Q321 PolarHBondContact O-N 3.07Å |
| 319 | E | 73.3 | Confident | 70.1 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -57.5 | -32.7 | -176.4 | 68.6 | -170.4 | 178.5 | 0 | 0 | 113.6 | N222 R224 Q321 V322 | N222-E319 PolarHBondContact O-N 2.77Å; R224-E319 HydrophobicContact CG-CB 3.92Å; R224-E319 IonicContact CZ-OE2 3.48Å; R224-E319 IonicContact NH1-OE2 3.16Å; R224-E319 PolarHBondContact NH1-OE2 3.24Å; R224-E319 IonicContact NH2-OE2 3.42Å; R224-E319 PolarHBondContact NH2-OE2 2.92Å; E319-Q321 PolarHBondContact O-N 2.76Å; E319-V322 PolarHBondContact O-N 2.84Å |
| 320 | S | 64.4 | Low | 68.4 | Low | 96 Ų | 96 | 46.5 Ų | 46.5 | 67% | 0.671 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -70.5 | -11.1 | 176.8 | 68.3 | 0 | 0 | 0 | 0 | 114.7 | H318 | H318-S320 PolarHBondContact ND1-N 3.11Å; H318-S320 PolarHBondContact ND1-OG 2.85Å; H318-S320 PolarHBondContact O-N 2.98Å; H318-S320 VanDerWaalsContact O-N 3.16Å |
| 321 | Q | 62.2 | Low | 66.3 | Low | 108 Ų | 108 | 54 Ų | 54 | 51% | 0.505 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -93.3 | -7.6 | -178.8 | -62.5 | 178.2 | -25.8 | 0 | 0 | 112.6 | H318 E319 | H318-Q321 HydrophobicContact CB-CG 4.18Å; H318-Q321 WeakPolarHBondContact O-CB 3.5Å; H318-Q321 PolarHBondContact O-N 3.07Å; E319-Q321 PolarHBondContact O-N 2.76Å |
| 322 | V | 63.6 | Low | 64.2 | Low | 29 Ų | 29 | 59 Ų | 59 | 18% | 0.176 | 31% | 0.31 | C | S | . | . | trans | -139.6 | 158.5 | -174 | -70.4 | 0 | 0 | 0 | 0 | 112.4 | R224 I226 V288 V317 E319 | R224-V322 HydrophobicContact CB-CG2 3.84Å; R224-V322 HydrophobicContact CG-CG2 4.13Å; I226-V322 HydrophobicContact CD1-CG1 3.81Å; I226-V322 HydrophobicContact CG1-CG1 4.15Å; V288-V322 HydrophobicContact CG1-CB 3.91Å; V288-V322 HydrophobicContact CG1-CG2 3.83Å; V317-V322 HydrophobicContact CB-CG1 4.44Å; V317-V322 HydrophobicContact CG2-CB 4.29Å; V317-V322 HydrophobicContact CG2-CG1 3.56Å; V317-V322 HydrophobicContact CG2-CG2 3.72Å; E319-V322 PolarHBondContact O-N 2.84Å | ||
| 323 | L | 54.1 | Low | 62.5 | Low | 97 Ų | 97 | 67 Ų | 67 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | trans | -112.1 | 134.6 | 168.1 | -65.5 | 175.6 | 0 | 0 | 0 | 108 | V288 K412 | V288-L323 WeakPolarHBondContact CB-O 3.13Å; V288-L323 WeakPolarHBondContact CG1-O 3.4Å; L323-K412 HydrophobicContact CD1-CB 4.4Å; L323-K412 HydrophobicContact CD1-CD 3.82Å; L323-K412 HydrophobicContact CD1-CG 3.89Å | ||
| 324 | P | 70.9 | Confident | 61 | Low | 59 Ų | 59 | 70.9 Ų | 70.9 | 38% | 0.383 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 152.2 | -178.1 | 29.5 | -34.8 | 0 | 0 | 0 | 112 | H290 | H290-P324 HydrophobicContact CB-CB 4.17Å; H290-P324 WeakPolarHBondContact CD2-CB 3.09Å; H290-P324 WeakPolarHBondContact CD2-CG 3.13Å; H290-P324 VanDerWaalsContact CG-CB 3.43Å |
| 325 | S | 64 | Low | 59.4 | Low | 12 Ų | 12 | 74.5 Ų | 74.5 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 142 | 172.7 | -70.3 | 0 | 0 | 0 | 0 | 110 | L275 L287 V288 H290 | L275-S325 WeakPolarHBondContact CD1-O 3.26Å; L287-S325 WeakPolarHBondContact CA-OG 3.23Å; V288-S325 PolarHBondContact N-OG 3.05Å; V288-S325 PolarHBondContact O-N 2.79Å; H290-S325 PolarHBondContact CE1-O 2.97Å; H290-S325 PolarHBondContact NE2-O 2.85Å |
| 326 | P | 55.8 | Low | 57.3 | Low | 35 Ų | 35 | 79.2 Ų | 79.2 | 23% | 0.227 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 149.5 | 177.4 | 28.1 | -34 | 0 | 0 | 0 | 111.6 | L275 Q431 F432 | L275-P326 WeakPolarHBondContact CD1-O 3.29Å; P326-Q431 WeakPolarHBondContact CG-O 3.43Å; P326-F432 VanDerWaalsContact CG-O 3.25Å; P326-F432 WeakPolarHBondContact CG-O 2.95Å |
| 327 | F | 60.4 | Low | 55.2 | Low | 46 Ų | 46 | 81.4 Ų | 81.4 | 20% | 0.202 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 155.9 | 173.5 | -67.5 | -72 | 0 | 0 | 0 | 111.2 | E266 R273 L275 H290 | E266-F327 HydrophobicContact CG-CE1 4.37Å; R273-F327 HydrophobicContact CB-CE1 4.37Å; R273-F327 VanDerWaalsContact CD-CE1 3.5Å; R273-F327 HydrophobicContact CG-CD1 3.82Å; R273-F327 HydrophobicContact CG-CE1 3.87Å; R273-F327 VanDerWaalsContact NH1-CD2 3.32Å; R273-F327 VanDerWaalsContact NH1-CE2 3.31Å; L275-F327 HydrophobicContact CD1-CD1 3.96Å; L275-F327 HydrophobicContact CD1-CE1 4.21Å; H290-F327 HydrophobicContact CB-CZ 4.29Å; H290-F327 AromaticContact CD2-CE2 3.85Å; H290-F327 AromaticContact CE1-CD2 3.59Å; H290-F327 AromaticContact CE1-CE1 3.83Å; H290-F327 AromaticContact CE1-CE2 3.16Å; H290-F327 WeakPolarHBondContact CE1-CE2 3.31Å; H290-F327 AromaticContact CE1-CZ 3.3Å; H290-F327 WeakPolarHBondContact CE1-CZ 3.13Å; H290-F327 AromaticContact CG-CE2 3.92Å; H290-F327 AromaticContact CG-CZ 3.71Å; H290-F327 AromaticContact ND1-CE1 3.72Å; H290-F327 AromaticContact ND1-CE2 3.54Å; H290-F327 AromaticContact ND1-CZ 3.18Å; H290-F327 WeakPolarHBondContact ND1-CZ 3.34Å; H290-F327 AromaticContact NE2-CD2 3.89Å; H290-F327 AromaticContact NE2-CE2 3.41Å; H290-F327 WeakPolarHBondContact NE2-CE2 2.9Å; H290-F327 AromaticContact NE2-CZ 3.93Å |
| 328 | L | 56.6 | Low | 53.1 | Low | 13 Ų | 13 | 86.8 Ų | 86.8 | 7% | 0.068 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 131.7 | 162.3 | -67.2 | 168.9 | 0 | 0 | 0 | 108.6 | Y277 E330 E434 | Y277-L328 HydrophobicContact CD2-CD1 3.44Å; Y277-L328 VanDerWaalsContact CD2-CD1 3.44Å; Y277-L328 HydrophobicContact CE2-CD1 3.8Å; Y277-L328 HydrophobicContact CG-CD1 4.46Å; L328-E330 PolarHBondContact O-N 2.83Å; L328-E434 WeakPolarHBondContact CD2-OE1 3.4Å |
| 329 | E | 48.4 | Very low | 51 | Low | 164 Ų | 164 | 90.4 Ų | 90.4 | 77% | 0.766 | 47% | 0.472 | S | S | * | . | trans | -71.2 | 75.7 | 170.6 | -67.2 | -177.3 | -177.5 | 0 | 0 | 109.2 | Q431 | E329-Q431 PolarHBondContact OE1-NE2 2.89Š| ||
| 330 | E | 48.4 | Very low | 48.8 | Very low | 71 Ų | 71 | 94.5 Ų | 94.5 | 33% | 0.332 | 49% | 0.491 | S | S | . | . | trans | -95.5 | 137 | 157.5 | -73.5 | -173.2 | 168.2 | 0 | 0 | 107.7 | T251 R252 L328 D332 | T251-E330 WeakPolarHBondContact CB-OE1 3.13Å; T251-E330 HydrophobicContact CG2-CG 4.33Å; R252-E330 PolarHBondContact N-OE1 2.84Å; L328-E330 PolarHBondContact O-N 2.83Å; E330-D332 PolarHBondContact O-N 2.85Å; E330-D332 VanDerWaalsContact O-N 3.14Å | ||
| 331 | D | 40.1 | Very low | 47 | Very low | 156 Ų | 156 | 98.7 Ų | 98.7 | 83% | 0.834 | 50% | 0.5 | S | S | * | . | trans | -36.7 | 119.5 | 173.6 | -72.7 | -47.8 | 0 | 0 | 0 | 110.1 | Q333 | D331-Q333 PolarHBondContact O-N 3.08Š| ||
| 332 | D | 34.6 | Very low | 45.4 | Very low | 146 Ų | 146 | 99.9 Ų | 99.9 | 78% | 0.781 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -49.7 | 61.5 | -168 | -83.9 | -45.5 | 0 | 0 | 0 | 116.6 | R273 E330 | R273-D332 IonicContact NH2-OD1 3.7Å; E330-D332 PolarHBondContact O-N 2.85Å; E330-D332 VanDerWaalsContact O-N 3.14Å |
| 333 | Q | 42.3 | Very low | 43.5 | Very low | 166 Ų | 166 | 107.9 Ų | 107.9 | 78% | 0.776 | 54% | 0.538 | S | S | * | . | trans | -118 | 102.2 | 177.9 | -62.6 | -162.7 | 27.6 | 0 | 0 | 109.6 | D331 V335 | D331-Q333 PolarHBondContact O-N 3.08Å; Q333-V335 PolarHBondContact O-N 3.02Å | ||
| 334 | L | 44.8 | Very low | 42.1 | Very low | 89 Ų | 89 | 110.3 Ų | 110.3 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | trans | -56.5 | 105.8 | 167.2 | -72.6 | 150.1 | 0 | 0 | 0 | 109.4 | K271 E336 | K271-L334 HydrophobicContact CB-CB 4.14Å; K271-L334 HydrophobicContact CB-CD2 3.93Å; K271-L334 HydrophobicContact CD-CB 3.68Å; K271-L334 HydrophobicContact CD-CD1 3.87Å; K271-L334 HydrophobicContact CD-CD2 4.23Å; K271-L334 HydrophobicContact CD-CG 4.13Å; K271-L334 HydrophobicContact CG-CB 4.12Å; L334-E336 PolarHBondContact O-N 3.14Å | ||
| 335 | V | 49.1 | Very low | 39.9 | Very low | 90 Ų | 90 | 116.5 Ų | 116.5 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.2 | 126.4 | 178.8 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | S272 Q333 | S272-V335 PolarHBondContact N-O 3.11Å; Q333-V335 PolarHBondContact O-N 3.02Å |
| 336 | E | 35.8 | Very low | 38 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 61% | 0.607 | 60% | 0.603 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.8 | 132.5 | 172.3 | -72.2 | -172.3 | 161.3 | 0 | 0 | 110.5 | L334 N338 | L334-E336 PolarHBondContact O-N 3.14Å; E336-N338 PolarHBondContact O-N 3.2Å |
| 337 | T | 37.7 | Very low | 36.6 | Very low | 47 Ų | 47 | 128 Ų | 128 | 29% | 0.288 | 63% | 0.633 | S | S | . | * | trans | -77.3 | 83.8 | 177.8 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | N270 | N270-T337 PolarHBondContact O-N 3.34Å; N270-T337 PolarHBondContact O-OG1 3.21Å | ||
| 338 | N | 31.9 | Very low | 34.8 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 64% | 0.642 | 66% | 0.662 | S | S | * | * | trans | -89.5 | 118.9 | 169.7 | -71.1 | -24.3 | 0 | 0 | 0 | 109.7 | E336 H340 | E336-N338 PolarHBondContact O-N 3.2Å; N338-H340 PolarHBondContact O-N 3.48Å | ||
| 339 | E | 31.7 | Very low | 33.3 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | -76.5 | 25.3 | 179 | -67.2 | -159.8 | 134.2 | 0 | 0 | 113.8 | R214 | R214-E339 IonicContact CZ-OE1 3.1Å; R214-E339 IonicContact NH1-OE1 2.87Å; R214-E339 PolarHBondContact NH1-OE1 2.88Å; R214-E339 IonicContact NH2-OE1 2.95Å | ||
| 340 | H | 27.3 | Very low | 32.3 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 78% | 0.782 | 70% | 0.702 | S | S | * | * | trans | -90.1 | 118.1 | -179.2 | -75.6 | -63.7 | 0 | 0 | 0 | 111.9 | N338 E342 | N338-H340 PolarHBondContact O-N 3.48Å; H340-E342 PolarHBondContact O-N 2.81Å | ||
| 341 | E | 26.7 | Very low | 31.2 | Very low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | trans | -47.7 | 119.2 | 177.2 | -62.3 | 175.1 | 149.4 | 0 | 0 | 112.2 | K343 | E341-K343 PolarHBondContact O-N 2.64Š| ||
| 342 | E | 29.2 | Very low | 30.6 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 62% | 0.617 | 73% | 0.726 | S | S | * | * | trans | -70 | 95.6 | 176.3 | -73.5 | 173.5 | -174.6 | 0 | 0 | 109.9 | R252 H340 Y344 | R252-E342 IonicContact NH2-OE1 3.48Å; R252-E342 PolarHBondContact NH2-OE1 2.89Å; R252-E342 VanDerWaalsContact NH2-OE1 3.1Å; R252-E342 IonicContact NH2-OE2 2.83Å; H340-E342 PolarHBondContact O-N 2.81Å; E342-Y344 PolarHBondContact O-N 2.76Å | ||
| 343 | K | 23.2 | Very low | 30.1 | Very low | 197 Ų | 197 | 152.4 Ų | 152.4 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | trans | -72.7 | 106 | 163 | -91.2 | 179.1 | 178.1 | 172.6 | 0 | 109.2 | E341 Q345 | E341-K343 PolarHBondContact O-N 2.64Å; K343-Q345 PolarHBondContact O-N 3.01Å | ||
| 344 | Y | 25.5 | Very low | 29.4 | Very low | 149 Ų | 149 | 153 Ų | 153 | 58% | 0.584 | 74% | 0.737 | S | S | * | * | trans | -59.8 | 114.8 | 171.1 | -80 | -96.3 | 0 | 0 | 0 | 110.9 | V257 E342 | V257-Y344 HydrophobicContact CG1-CE1 4.23Å; E342-Y344 PolarHBondContact O-N 2.76Å | ||
| 345 | Q | 23.7 | Very low | 28.4 | Very low | 188 Ų | 188 | 157.1 Ų | 157.1 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | -114.5 | 122.2 | 162.1 | -82.9 | -172.7 | -22 | 0 | 0 | 110 | K343 S347 | K343-Q345 PolarHBondContact O-N 3.01Å; Q345-S347 PolarHBondContact O-N 2.74Å | ||
| 346 | N | 24.6 | Very low | 27.2 | Very low | 166 Ų | 166 | 160.7 Ų | 160.7 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -59.5 | 113.7 | 178.2 | -73.1 | -40 | 0 | 0 | 0 | 111.4 | ||||
| 347 | S | 27.5 | Very low | 26.8 | Very low | 122 Ų | 122 | 164.3 Ų | 164.3 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -106.7 | 112.2 | 159.5 | -175.9 | 0 | 0 | 0 | 0 | 109 | Q345 | Q345-S347 PolarHBondContact O-N 2.74Š| ||
| 348 | R | 21.9 | Very low | 26.1 | Very low | 218 Ų | 218 | 167.2 Ų | 167.2 | 82% | 0.823 | 81% | 0.807 | S | S | * | * | trans | -86.6 | 149.5 | 174.2 | -99.6 | -180 | 177 | 171.7 | -1.6 | 109.7 | ||||
| 349 | N | 24.9 | Very low | 25.8 | Very low | 139 Ų | 139 | 168.2 Ų | 168.2 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | 81.2 | 101.8 | 157.1 | -56.6 | -16.5 | 0 | 0 | 0 | 117 | ||||
| 350 | N | 28 | Very low | 25.7 | Very low | 171 Ų | 171 | 168.2 Ų | 168.2 | 91% | 0.914 | 82% | 0.822 | S | S | * | * | -149.8 | 112.8 | 118.5 | -90.6 | -24.9 | 0 | 0 | 0 | 109 | |||||
| 351 | R | 25 | Very low | 25.7 | Very low | 234 Ų | 234 | 164.7 Ų | 164.7 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -78.9 | 133.1 | 162.1 | -76.8 | 173.9 | 171.1 | 161.2 | -4.2 | 106.5 | ||||
| 352 | D | 26.4 | Very low | 25.6 | Very low | 149 Ų | 149 | 164.3 Ų | 164.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | -178.9 | 131.4 | 124.7 | -88.1 | -22 | 0 | 0 | 0 | 112.4 | |||||
| 353 | K | 25.4 | Very low | 25.3 | Very low | 198 Ų | 198 | 162.7 Ų | 162.7 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | 60 | 95.6 | 156.3 | -66.3 | 178.2 | 177.5 | 178.1 | 0 | 118.4 | ||||
| 354 | L | 27.2 | Very low | 25.5 | Very low | 178 Ų | 178 | 161.2 Ų | 161.2 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -119.4 | 121 | 148.4 | -166 | 67.4 | 0 | 0 | 0 | 108.8 | ||||
| 355 | E | 24.7 | Very low | 25.5 | Very low | 177 Ų | 177 | 159.3 Ų | 159.3 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -72.6 | 149.3 | -177.9 | -68.9 | 179.5 | 150.6 | 0 | 0 | 111.9 | F357 | E355-F357 PolarHBondContact O-N 3.09Å; E355-F357 VanDerWaalsContact O-N 3.12Å | ||
| 356 | N | 22.3 | Very low | 25.7 | Very low | 165 Ų | 165 | 153.8 Ų | 153.8 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -49.6 | 106.6 | 178.2 | -68.9 | -34.5 | 0 | 0 | 0 | 112.9 | ||||
| 357 | F | 27.2 | Very low | 25.9 | Very low | 205 Ų | 205 | 147.6 Ų | 147.6 | 90% | 0.899 | 74% | 0.735 | S | S | * | * | trans | -102.4 | 106.3 | 151.9 | -98.1 | -88 | 0 | 0 | 0 | 109.2 | E355 N359 | E355-F357 PolarHBondContact O-N 3.09Å; E355-F357 VanDerWaalsContact O-N 3.12Å; F357-N359 PolarHBondContact O-N 3.01Å | ||
| 358 | S | 24.8 | Very low | 26.1 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | trans | -57.8 | 123.8 | 175.7 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 359 | N | 25.5 | Very low | 26.2 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | trans | 10.4 | 109.5 | 142.2 | -75.9 | -21.8 | 0 | 0 | 0 | 117.6 | F357 | F357-N359 PolarHBondContact O-N 3.01Š| ||
| 360 | T | 28.1 | Very low | 26.7 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 87% | 0.871 | 66% | 0.659 | S | S | * | * | trans | -137.9 | 107.4 | 135.1 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 361 | N | 26.9 | Very low | 26.7 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 51% | 0.513 | 65% | 0.65 | S | S | . | * | trans | -62.6 | 131.4 | 167 | -68.5 | -46 | 0 | 0 | 0 | 110.7 | Y244 | Y244-N361 HydrophobicContact CE2-CB 4.21Š| ||
| 362 | K | 25.7 | Very low | 26.8 | Very low | 175 Ų | 175 | 120 Ų | 120 | 76% | 0.761 | 63% | 0.628 | S | S | * | * | trans | -171.3 | 141.5 | 141.6 | -100.5 | 156.6 | -168.8 | -173.4 | 0 | 113.4 | Y244 | Y244-K362 VanDerWaalsContact CE1-C 3.48Å; Y244-K362 VanDerWaalsContact CZ-N 3.34Å; Y244-K362 WeakPolarHBondContact OH-CA 3.32Å; Y244-K362 PolarHBondContact OH-N 3.27Å; Y244-K362 VanDerWaalsContact OH-N 3.11Å | ||
| 363 | S | 22.7 | Very low | 26.8 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 69% | 0.692 | 63% | 0.632 | S | S | * | * | trans | -66.9 | 132.2 | -173.4 | -31.1 | 0 | 0 | 0 | 0 | 111.9 | Y244 | Y244-S363 WeakPolarHBondContact CE1-OG 3.42Å; Y244-S363 VanDerWaalsContact CZ-N 3.28Å; Y244-S363 PolarHBondContact OH-N 3.25Å | ||
| 364 | R | 27.3 | Very low | 26.9 | Very low | 165 Ų | 165 | 115.5 Ų | 115.5 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | trans | -95.7 | 130.1 | -165.4 | -63.6 | 173.9 | 175.5 | 130.8 | -2 | 111 | ||||
| 365 | L | 25 | Very low | 26.8 | Very low | 109 Ų | 109 | 112.6 Ų | 112.6 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | trans | -107.4 | 128.6 | 163.1 | -135.7 | 110.2 | 0 | 0 | 0 | 101.8 | F367 F460 | L365-F367 PolarHBondContact O-N 3.25Å; L365-F460 HydrophobicContact CB-CE2 3.34Å; L365-F460 HydrophobicContact CB-CZ 3.21Å; L365-F460 HydrophobicContact CD1-CE2 4.48Å; L365-F460 HydrophobicContact CD2-CD2 4.14Å; L365-F460 HydrophobicContact CD2-CE1 4.2Å; L365-F460 HydrophobicContact CD2-CE2 3.37Å; L365-F460 HydrophobicContact CD2-CZ 3.22Å; L365-F460 HydrophobicContact CG-CD2 4.1Å; L365-F460 HydrophobicContact CG-CE2 3.09Å; L365-F460 HydrophobicContact CG-CZ 3.3Å; L365-F460 WeakPolarHBondContact O-CZ 3.27Å | ||
| 366 | F | 28.6 | Very low | 26.8 | Very low | 72 Ų | 72 | 115.3 Ų | 115.3 | 32% | 0.316 | 62% | 0.62 | S | S | . | * | trans | -71.5 | 62.5 | 176.8 | -65.6 | -81.1 | 0 | 0 | 0 | 123 | E247 F460 | E247-F366 HydrophobicContact CB-CE2 3.8Å; E247-F366 HydrophobicContact CB-CZ 3.72Å; E247-F366 HydrophobicContact CG-CE2 3.81Å; E247-F366 HydrophobicContact CG-CZ 4.08Å; E247-F366 WeakPolarHBondContact OE2-CE2 3.48Å; F366-F460 VanDerWaalsContact CA-CE1 3.45Å; F366-F460 HydrophobicContact CB-CD1 3.92Å; F366-F460 HydrophobicContact CB-CD2 4.22Å; F366-F460 HydrophobicContact CB-CE1 4.17Å; F366-F460 HydrophobicContact CB-CE2 3.99Å; F366-F460 HydrophobicContact CB-CG 4.3Å; F366-F460 HydrophobicContact CB-CZ 4.19Å; F366-F460 WeakPolarHBondContact O-CD1 3.32Å; F366-F460 WeakPolarHBondContact O-CE1 3.05Å | ||
| 367 | F | 29.3 | Very low | 26.9 | Very low | 37 Ų | 37 | 115.2 Ų | 115.2 | 16% | 0.162 | 62% | 0.619 | C | S | . | * | S | Bend | trans | -132.6 | 125.9 | 156.7 | -89.9 | -73 | 0 | 0 | 0 | 102.2 | L365 D369 F460 L461 E462 | L365-F367 PolarHBondContact O-N 3.25Å; F367-D369 PolarHBondContact O-N 2.72Å; F367-F460 HydrophobicContact CB-CD1 3.9Å; F367-F460 HydrophobicContact CB-CE1 3.49Å; F367-F460 VanDerWaalsContact CB-CE1 3.49Å; F367-F460 HydrophobicContact CD2-CB 3.81Å; F367-F460 AromaticContact CD2-CD1 2.88Å; F367-F460 HydrophobicContact CD2-CD1 2.88Å; F367-F460 AromaticContact CD2-CE1 3.19Å; F367-F460 HydrophobicContact CD2-CE1 3.19Å; F367-F460 AromaticContact CD2-CG 3.86Å; F367-F460 HydrophobicContact CD2-CG 3.86Å; F367-F460 WeakPolarHBondContact CD2-O 3.16Å; F367-F460 HydrophobicContact CE2-CB 3.49Å; F367-F460 VanDerWaalsContact CE2-CB 3.49Å; F367-F460 AromaticContact CE2-CD1 3.35Å; F367-F460 HydrophobicContact CE2-CD1 3.35Å; F367-F460 HydrophobicContact CE2-CE1 4.09Å; F367-F460 AromaticContact CE2-CG 3.96Å; F367-F460 HydrophobicContact CE2-CG 3.96Å; F367-F460 WeakPolarHBondContact CE2-O 3.16Å; F367-F460 AromaticContact CG-CD1 3.54Å; F367-F460 HydrophobicContact CG-CD1 3.54Å; F367-F460 AromaticContact CG-CE1 3.65Å; F367-F460 HydrophobicContact CG-CE1 3.65Å; F367-F460 HydrophobicContact CZ-CD1 4.4Å; F367-L461 HydrophobicContact CD2-CB 4.45Å; F367-L461 VanDerWaalsContact CD2-N 3.26Å; F367-E462 HydrophobicContact CB-CB 3.72Å; F367-E462 VanDerWaalsContact CB-O 3.25Å; F367-E462 WeakPolarHBondContact CB-O 3.36Å; F367-E462 WeakPolarHBondContact O-CB 3.14Å; F367-E462 WeakPolarHBondContact O-CG 3.41Å |
| 368 | A | 32.1 | Very low | 26.7 | Very low | 17 Ų | 17 | 113.5 Ų | 113.5 | 14% | 0.14 | 62% | 0.616 | C | S | . | * | 66 | 60.8 | 106.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y436 E462 L463 G464 | A368-Y436 HydrophobicContact CB-CD1 3.35Å; A368-Y436 HydrophobicContact CB-CE1 3Å; A368-Y436 PolarHBondContact O-OH 3.41Å; A368-Y436 VanDerWaalsContact O-OH 3.1Å; A368-E462 VanDerWaalsContact CB-O 3.29Å; A368-E462 WeakPolarHBondContact CB-O 3.4Å; A368-E462 CarbonylContact O-C 3.37Å; A368-L463 CarbonylContact O-C 3.57Å; A368-L463 WeakPolarHBondContact O-CA 3.38Å; A368-L463 PolarHBondContact O-N 3Å; A368-G464 PolarHBondContact O-N 2.97Å | |||
| 369 | D | 23.6 | Very low | 26.5 | Very low | 101 Ų | 101 | 117.3 Ų | 117.3 | 54% | 0.54 | 62% | 0.622 | S | S | . | * | trans | -86.9 | 138.2 | 157.9 | -176.6 | 14.6 | 0 | 0 | 0 | 108.2 | F367 | F367-D369 PolarHBondContact O-N 2.72Š| ||
| 370 | A | 35.6 | Very low | 26.4 | Very low | 18 Ų | 18 | 119.4 Ų | 119.4 | 15% | 0.149 | 63% | 0.625 | C | S | . | * | trans | -145 | 130.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y436 G464 | A370-Y436 HydrophobicContact CB-CD2 4.2Å; A370-Y436 HydrophobicContact CB-CE2 3.31Å; A370-G464 VanDerWaalsContact N-CA 3.33Å; A370-G464 WeakPolarHBondContact O-CA 3.48Å | ||
| 371 | G | 26.3 | Very low | 26 | Very low | 69 Ų | 69 | 123.5 Ų | 123.5 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | trans | -88.9 | 163.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 372 | F | 27.8 | Very low | 25.9 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 44% | 0.439 | 64% | 0.643 | S | S | . | * | trans | -110.5 | 133.7 | 167.9 | -68 | -100.9 | 0 | 0 | 0 | 108.7 | S466 | F372-S466 WeakPolarHBondContact CE2-OG 3.29Š| ||
| 373 | T | 26.7 | Very low | 25.8 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 88% | 0.877 | 64% | 0.643 | S | S | * | * | trans | -146.8 | 103.1 | 141.5 | 63.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 374 | S | 26.7 | Very low | 25.9 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | trans | -64.7 | 130.1 | 158.1 | 166.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 375 | T | 25.4 | Very low | 25.8 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | 170.5 | 120.2 | 121.8 | 37.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 376 | R | 25.1 | Very low | 25.8 | Very low | 234 Ų | 234 | 130.2 Ų | 130.2 | 88% | 0.883 | 66% | 0.658 | S | S | * | * | trans | 91.8 | 106.6 | 161.8 | -57.1 | 178.3 | 179.8 | -164.8 | -0.6 | 119.2 | ||||
| 377 | N | 24.4 | Very low | 25.9 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 88% | 0.877 | 68% | 0.684 | S | S | * | * | trans | 32.2 | 95.7 | 142.7 | -61.5 | -3 | 0 | 0 | 0 | 119 | ||||
| 378 | M | 23.1 | Very low | 25.9 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 83% | 0.833 | 71% | 0.709 | S | S | * | * | trans | -121.4 | 118.9 | 150.9 | -81.5 | -174.3 | 161.7 | 0 | 0 | 110 | F380 | M378-F380 HydrophobicContact CB-CD2 4.31Å; M378-F380 HydrophobicContact CB-CE2 4.16Å; M378-F380 HydrophobicContact SD-CE2 4.41Å | ||
| 379 | Q | 21.1 | Very low | 25.9 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | -94.1 | 116.8 | 179.2 | -171.5 | 176.2 | 20.9 | 0 | 0 | 107.7 | ||||
| 380 | F | 22.3 | Very low | 26.4 | Very low | 185 Ų | 185 | 144.3 Ų | 144.3 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | trans | -137 | 123 | 168.1 | -74.6 | -81.1 | 0 | 0 | 0 | 109.1 | M378 | M378-F380 HydrophobicContact CB-CD2 4.31Å; M378-F380 HydrophobicContact CB-CE2 4.16Å; M378-F380 HydrophobicContact SD-CE2 4.41Å | ||
| 381 | R | 20.6 | Very low | 26.2 | Very low | 227 Ų | 227 | 152.6 Ų | 152.6 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -84.1 | 128.2 | 165.4 | -89 | -175.5 | 173.2 | 179.3 | -3.3 | 107.2 | ||||
| 382 | E | 23.9 | Very low | 26.4 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -148.6 | 113.6 | 148.7 | -111 | 168.6 | -160.8 | 0 | 0 | 107.6 | ||||
| 383 | D | 23.7 | Very low | 26.6 | Very low | 143 Ų | 143 | 152.5 Ų | 152.5 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | trans | -73.7 | 129.6 | 171.8 | -62.9 | -59.5 | 0 | 0 | 0 | 108.2 | ||||
| 384 | E | 24.5 | Very low | 26.7 | Very low | 156 Ų | 156 | 151.9 Ų | 151.9 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | 178.1 | 138.1 | 126.3 | -105.7 | -179.1 | 173.5 | 0 | 0 | 114.1 | |||||
| 385 | Y | 26 | Very low | 27 | Very low | 189 Ų | 189 | 152.3 Ų | 152.3 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | trans | 68.9 | 82.1 | 164.4 | -59.9 | -66.4 | 0 | 0 | 0 | 119.6 | ||||
| 386 | S | 25.7 | Very low | 27.3 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | trans | -60.1 | 122.4 | 150.6 | 155.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 387 | F | 29 | Very low | 27.7 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 87% | 0.868 | 69% | 0.691 | S | S | * | * | trans | -144.9 | 101.4 | 144.7 | -87 | -75.4 | 0 | 0 | 0 | 110.6 | ||||
| 388 | D | 30.5 | Very low | 28 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | trans | 64.7 | 90.5 | 156.8 | -112.7 | -29.1 | 0 | 0 | 0 | 122 | ||||
| 389 | P | 31.9 | Very low | 28.7 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 51% | 0.506 | 68% | 0.681 | S | S | . | * | trans | -87.3 | 7.3 | 175.2 | -2.7 | 22.6 | 0 | 0 | 0 | 116.4 | F391 | P389-F391 PolarHBondContact O-N 3.45Å; P389-F391 VanDerWaalsContact O-N 3.17Å | ||
| 390 | D | 33.9 | Very low | 29.3 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 62% | 0.62 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -0.5 | -149.9 | -86.1 | 2.4 | 0 | 0 | 0 | 118.9 | ||
| 391 | F | 32.5 | Very low | 29.8 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 85% | 0.846 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | -14.9 | -178.5 | -144.9 | -98.8 | 0 | 0 | 0 | 116.9 | P389 | P389-F391 PolarHBondContact O-N 3.45Å; P389-F391 VanDerWaalsContact O-N 3.17Å |
| 392 | M | 29.6 | Very low | 30.4 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 34% | 0.34 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.6 | -13.2 | -177.4 | -77.6 | -73.6 | -86.9 | 0 | 0 | 115.3 | L394 Y396 I488 | M392-L394 PolarHBondContact O-N 3.19Å; M392-Y396 HydrophobicContact CE-CD2 3.99Å; M392-Y396 HydrophobicContact CE-CE2 3.39Å; M392-Y396 PolarHBondContact O-N 2.82Å; M392-Y396 HydrophobicContact SD-CD2 4.43Å; M392-Y396 HydrophobicContact SD-CE2 4.15Å; M392-I488 HydrophobicContact CE-CD1 3.53Å |
| 393 | N | 31.9 | Very low | 31 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 52% | 0.519 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -65.3 | -27.7 | 169.2 | -82.9 | -17.3 | 0 | 0 | 0 | 111.9 | S397 | N393-S397 WeakPolarHBondContact O-CB 3.49Å; N393-S397 PolarHBondContact O-N 2.78Å |
| 394 | L | 29.5 | Very low | 31.6 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 68% | 0.681 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.8 | -34.9 | -179.9 | -90.1 | 148 | 0 | 0 | 0 | 113.9 | M392 | M392-L394 PolarHBondContact O-N 3.19Å |
| 395 | Q | 33.5 | Very low | 32.2 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 55% | 0.551 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -84.1 | -25.1 | -177.7 | -151.9 | 170.2 | -3.1 | 0 | 0 | 112.5 | ||
| 396 | Y | 31.4 | Very low | 33 | Very low | 72 Ų | 72 | 121.7 Ų | 121.7 | 28% | 0.282 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -104.5 | -22.8 | -178.6 | -72 | -85.4 | 0 | 0 | 0 | 114.6 | M392 N398 Q399 F400 | M392-Y396 HydrophobicContact CE-CD2 3.99Å; M392-Y396 HydrophobicContact CE-CE2 3.39Å; M392-Y396 PolarHBondContact O-N 2.82Å; M392-Y396 HydrophobicContact SD-CD2 4.43Å; M392-Y396 HydrophobicContact SD-CE2 4.15Å; Y396-N398 PolarHBondContact O-N 2.92Å; Y396-Q399 PolarHBondContact O-N 2.91Å; Y396-Q399 VanDerWaalsContact O-N 3.17Å; Y396-F400 HydrophobicContact CD1-CD2 4.46Å; Y396-F400 AromaticContact CD1-CE2 3.95Å; Y396-F400 HydrophobicContact CD1-CE2 3.95Å; Y396-F400 VanDerWaalsContact O-CD2 3.29Å; Y396-F400 WeakPolarHBondContact O-CD2 3.45Å; Y396-F400 PolarHBondContact O-N 2.84Å |
| 397 | S | 32 | Very low | 34 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 48% | 0.483 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -28.9 | 172.7 | 178.3 | 0 | 0 | 0 | 0 | 112.3 | N393 Q399 | N393-S397 WeakPolarHBondContact O-CB 3.49Å; N393-S397 PolarHBondContact O-N 2.78Å; S397-Q399 VanDerWaalsContact C-N 3.29Å; S397-Q399 PolarHBondContact O-N 2.72Å |
| 398 | N | 31.8 | Very low | 34.8 | Very low | 144 Ų | 144 | 121.3 Ų | 121.3 | 77% | 0.77 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -8.9 | -177.8 | -70.9 | -14.1 | 0 | 0 | 0 | 113.7 | Y396 | Y396-N398 PolarHBondContact O-N 2.92Š|
| 399 | Q | 38 | Very low | 35.7 | Very low | 155 Ų | 155 | 119 Ų | 119 | 72% | 0.724 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -10.7 | 177.6 | -141 | 177.3 | 6.8 | 0 | 0 | 113.1 | Y396 S397 | Y396-Q399 PolarHBondContact O-N 2.91Å; Y396-Q399 VanDerWaalsContact O-N 3.17Å; S397-Q399 VanDerWaalsContact C-N 3.29Å; S397-Q399 PolarHBondContact O-N 2.72Å |
| 400 | F | 32.7 | Very low | 36.6 | Very low | 37 Ų | 37 | 122 Ų | 122 | 16% | 0.162 | 59% | 0.594 | C | S | . | * | S | Bend | trans | -120 | 110 | -176.2 | -72 | -93.3 | 0 | 0 | 0 | 109.2 | Y396 N402 M404 R522 | Y396-F400 HydrophobicContact CD1-CD2 4.46Å; Y396-F400 AromaticContact CD1-CE2 3.95Å; Y396-F400 HydrophobicContact CD1-CE2 3.95Å; Y396-F400 VanDerWaalsContact O-CD2 3.29Å; Y396-F400 WeakPolarHBondContact O-CD2 3.45Å; Y396-F400 PolarHBondContact O-N 2.84Å; F400-N402 PolarHBondContact O-N 2.85Å; F400-M404 HydrophobicContact CD1-CB 4.39Å; F400-M404 HydrophobicContact CD1-SD 4.39Å; F400-M404 HydrophobicContact CE1-SD 4.47Å; F400-R522 VanDerWaalsContact CZ-NH2 3.28Å |
| 401 | N | 32.8 | Very low | 37.4 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 85% | 0.85 | 60% | 0.597 | S | S | * | * | trans | -47.1 | 137.4 | 161.5 | -85.6 | -23.2 | 0 | 0 | 0 | 108.2 | E403 | N401-E403 PolarHBondContact O-N 2.76Š| ||
| 402 | N | 34.4 | Very low | 38.4 | Very low | 150 Ų | 150 | 118 Ų | 118 | 80% | 0.802 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.2 | 14 | -162.1 | -78.7 | -42.8 | 0 | 0 | 0 | 119.4 | F400 | F400-N402 PolarHBondContact O-N 2.85Š|
| 403 | E | 35.8 | Very low | 39.4 | Very low | 188 Ų | 188 | 119.5 Ų | 119.5 | 88% | 0.879 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -11.8 | -175.5 | -62.5 | -166.3 | 160.5 | 0 | 0 | 115 | N401 | N401-E403 PolarHBondContact O-N 2.76Š|
| 404 | M | 36.4 | Very low | 40.5 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 52% | 0.517 | 57% | 0.568 | S | S | . | * | trans | -117.3 | 70.8 | -177.4 | -73.8 | -169 | 156.5 | 0 | 0 | 113.3 | F400 S406 L476 | F400-M404 HydrophobicContact CD1-CB 4.39Å; F400-M404 HydrophobicContact CD1-SD 4.39Å; F400-M404 HydrophobicContact CE1-SD 4.47Å; M404-S406 PolarHBondContact O-N 2.84Å; M404-L476 HydrophobicContact CE-CD2 3.53Å; M404-L476 HydrophobicContact SD-CD2 4.38Å | ||
| 405 | K | 37.9 | Very low | 41.5 | Very low | 191 Ų | 191 | 115.7 Ų | 115.7 | 83% | 0.83 | 56% | 0.558 | S | S | * | * | trans | -75.9 | 108 | 163.1 | -75.5 | -175 | 178.1 | -179 | 0 | 108.5 | K407 | K405-K407 PolarHBondContact O-N 3.04Š| ||
| 406 | S | 42.4 | Very low | 42.4 | Very low | 53 Ų | 53 | 111.4 Ų | 111.4 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | trans | -54.1 | 109.1 | 171.6 | 50.8 | 0 | 0 | 0 | 0 | 109.2 | M404 Y408 | M404-S406 PolarHBondContact O-N 2.84Å; S406-Y408 VanDerWaalsContact C-N 3.28Å; S406-Y408 PolarHBondContact O-N 2.56Å | ||
| 407 | K | 47.1 | Very low | 43.3 | Very low | 157 Ų | 157 | 115 Ų | 115 | 68% | 0.683 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -72.7 | -23.1 | -166.9 | -158.5 | 176 | 176.8 | -177.5 | 0 | 112.2 | K405 | K405-K407 PolarHBondContact O-N 3.04Š|
| 408 | Y | 45.1 | Very low | 44.1 | Very low | 137 Ų | 137 | 112.3 Ų | 112.3 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 123.5 | -178.4 | -64.9 | -79.7 | 0 | 0 | 0 | 112.7 | S406 I441 | S406-Y408 VanDerWaalsContact C-N 3.28Å; S406-Y408 PolarHBondContact O-N 2.56Å; Y408-I441 PolarHBondContact O-N 2.94Å |
| 409 | V | 48.5 | Very low | 44.7 | Very low | 80 Ų | 80 | 111.7 Ų | 111.7 | 49% | 0.485 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.7 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | K411 I441 M443 | V409-K411 HydrophobicContact CG1-CG 4.36Å; V409-I441 CarbonylContact C-O 3.58Å; V409-I441 WeakPolarHBondContact CA-O 3.39Å; V409-I441 HydrophobicContact CG2-CB 4.4Å; V409-M443 HydrophobicContact CG1-SD 4.11Å |
| 410 | R | 51.9 | Low | 44.7 | Very low | 142 Ų | 142 | 110.9 Ų | 110.9 | 54% | 0.536 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.1 | 174.1 | -102 | -173.7 | 174 | -174.6 | 0.1 | 109.9 | I441 A442 M443 | R410-I441 PolarHBondContact N-O 2.87Å; R410-A442 CarbonylContact O-C 3.55Å; R410-A442 WeakPolarHBondContact O-CA 3.44Å; R410-M443 WeakPolarHBondContact O-CB 3.14Å; R410-M443 PolarHBondContact O-N 2.84Å |
| 411 | K | 51.1 | Low | 45.4 | Very low | 156 Ų | 156 | 116.8 Ų | 116.8 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.5 | 173.8 | -64.3 | 179.8 | -179.8 | 178.9 | 0 | 110.2 | V409 M443 | V409-K411 HydrophobicContact CG1-CG 4.36Å; K411-M443 CarbonylContact C-O 3.54Å; K411-M443 WeakPolarHBondContact CA-O 3.46Å; K411-M443 HydrophobicContact CB-CB 4.48Å; K411-M443 HydrophobicContact CD-SD 4.3Å; K411-M443 HydrophobicContact CG-CB 4Å; K411-M443 HydrophobicContact CG-SD 3.89Å |
| 412 | K | 53.6 | Low | 46.1 | Very low | 68 Ų | 68 | 114.5 Ų | 114.5 | 30% | 0.296 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.7 | 127.3 | 176.7 | -169.7 | 177.9 | -171.6 | 177.4 | 0 | 109.9 | L323 I414 M443 Y444 T445 | L323-K412 HydrophobicContact CD1-CB 4.4Å; L323-K412 HydrophobicContact CD1-CD 3.82Å; L323-K412 HydrophobicContact CD1-CG 3.89Å; K412-I414 HydrophobicContact CG-CG1 4.48Å; K412-M443 PolarHBondContact N-O 2.63Å; K412-Y444 HydrophobicContact CB-CD1 3.83Å; K412-Y444 HydrophobicContact CB-CE1 4.2Å; K412-Y444 HydrophobicContact CD-CD1 3.95Å; K412-Y444 HydrophobicContact CD-CE1 3.94Å; K412-Y444 HydrophobicContact CG-CD1 4.36Å; K412-Y444 CarbonylContact O-C 3.54Å; K412-Y444 VanDerWaalsContact O-CA 3.32Å; K412-Y444 WeakPolarHBondContact O-CA 3.49Å; K412-T445 PolarHBondContact O-N 3.42Å |
| 413 | L | 49.2 | Very low | 46.7 | Very low | 101 Ų | 101 | 114 Ų | 114 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.7 | 178.3 | -172.3 | 63.4 | 0 | 0 | 0 | 110 | I415 T445 I447 | L413-I415 HydrophobicContact CD2-CD1 3.8Å; L413-I415 HydrophobicContact CD2-CG1 4.12Å; L413-I415 HydrophobicContact CG-CD1 4.11Å; L413-I415 HydrophobicContact CG-CG1 3.86Å; L413-T445 CarbonylContact C-O 3.55Å; L413-T445 HydrophobicContact CD1-CG2 3.76Å; L413-I447 HydrophobicContact CD1-CD1 3.69Å; L413-I447 HydrophobicContact CD1-CG1 3.99Å; L413-I447 HydrophobicContact CG-CD1 4.5Å |
| 414 | I | 55.6 | Low | 47.5 | Very low | 53 Ų | 53 | 113.3 Ų | 113.3 | 27% | 0.272 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.3 | 106.5 | -177.3 | -60.5 | 169.9 | 0 | 0 | 0 | 107.9 | K412 I427 T445 F446 I447 | K412-I414 HydrophobicContact CG-CG1 4.48Å; I414-I427 HydrophobicContact CD1-CG2 3.53Å; I414-T445 PolarHBondContact N-O 3.16Å; I414-F446 HydrophobicContact CB-CD1 3.83Å; I414-F446 HydrophobicContact CB-CE1 4.18Å; I414-F446 HydrophobicContact CB-CG 4.44Å; I414-F446 HydrophobicContact CD1-CD1 3.94Å; I414-F446 HydrophobicContact CD1-CE1 3.38Å; I414-F446 HydrophobicContact CD1-CE2 4.47Å; I414-F446 HydrophobicContact CD1-CZ 3.69Å; I414-F446 HydrophobicContact CG1-CD1 4.48Å; I414-F446 HydrophobicContact CG1-CE1 4.36Å; I414-F446 HydrophobicContact CG2-CD1 3.82Å; I414-F446 HydrophobicContact CG2-CE1 4.12Å; I414-F446 CarbonylContact O-C 3.5Å; I414-F446 VanDerWaalsContact O-CA 3.29Å; I414-F446 WeakPolarHBondContact O-CA 3.44Å; I414-I447 PolarHBondContact O-N 3.16Å |
| 415 | I | 51.1 | Low | 48.3 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 48% | 0.482 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.1 | -174.1 | -50.4 | 175.3 | 0 | 0 | 0 | 109.9 | L413 I447 | L413-I415 HydrophobicContact CD2-CD1 3.8Å; L413-I415 HydrophobicContact CD2-CG1 4.12Å; L413-I415 HydrophobicContact CG-CD1 4.11Å; L413-I415 HydrophobicContact CG-CG1 3.86Å; I415-I447 CarbonylContact C-O 3.52Å; I415-I447 WeakPolarHBondContact CA-O 3.38Å; I415-I447 HydrophobicContact CG1-CB 4.4Å; I415-I447 HydrophobicContact CG2-CB 4.41Å |
| 416 | S | 51.1 | Low | 49 | Very low | 29 Ų | 29 | 104.6 Ų | 104.6 | 20% | 0.203 | 54% | 0.538 | C | S | . | . | trans | -70.5 | 123.8 | 168.9 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | G418 I447 E452 | S416-G418 VanDerWaalsContact C-N 3.3Å; S416-G418 PolarHBondContact O-N 3.27Å; S416-I447 PolarHBondContact N-O 3.32Å; S416-E452 WeakPolarHBondContact CB-OE2 3.46Å; S416-E452 PolarHBondContact OG-OE1 2.85Å; S416-E452 VanDerWaalsContact OG-OE1 3.05Å; S416-E452 PolarHBondContact OG-OE2 3.16Å | ||
| 417 | K | 50.5 | Low | 49.8 | Very low | 147 Ų | 147 | 104.7 Ų | 104.7 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | trans | -93.1 | 21.7 | 178.8 | -66.4 | -171.9 | 178 | -178.9 | 0 | 113.2 | ||||
| 418 | G | 48.2 | Very low | 50.4 | Low | 12 Ų | 12 | 99.4 Ų | 99.4 | 12% | 0.124 | 51% | 0.512 | C | S | . | . | S | Bend | trans | 73.3 | -160.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S416 L420 | S416-G418 VanDerWaalsContact C-N 3.3Å; S416-G418 PolarHBondContact O-N 3.27Å; G418-L420 PolarHBondContact O-N 3.29Å |
| 419 | P | 44.6 | Very low | 51.1 | Low | 132 Ų | 132 | 93.3 Ų | 93.3 | 86% | 0.857 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -71.5 | 10.8 | -162.5 | 27.4 | -33.8 | 0 | 0 | 0 | 115.7 | N421 | P419-N421 PolarHBondContact O-N 2.85Å; P419-N421 VanDerWaalsContact O-N 3.12Å |
| 420 | L | 39.5 | Very low | 51.7 | Low | 137 Ų | 137 | 89.7 Ų | 89.7 | 72% | 0.717 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -80.9 | 88.4 | 168.6 | -77.9 | 99.7 | 0 | 0 | 0 | 111 | G418 R422 | G418-L420 PolarHBondContact O-N 3.29Å; L420-R422 PolarHBondContact O-N 2.86Å |
| 421 | N | 46.1 | Very low | 51.9 | Low | 162 Ų | 162 | 85.6 Ų | 85.6 | 87% | 0.866 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 64.1 | -12.6 | 149.3 | -67.7 | -13 | 0 | 0 | 0 | 121.8 | P419 | P419-N421 PolarHBondContact O-N 2.85Å; P419-N421 VanDerWaalsContact O-N 3.12Å |
| 422 | R | 48 | Very low | 51.8 | Low | 110 Ų | 110 | 79.6 Ų | 79.6 | 42% | 0.415 | 43% | 0.428 | S | S | . | . | trans | -130.2 | 95.3 | 178.7 | -85.7 | -177.5 | 169.9 | -142.5 | -4.6 | 112.7 | E315 L420 | E315-R422 IonicContact OE1-CZ 2.69Å; E315-R422 IonicContact OE1-NE 3.69Å; E315-R422 PolarHBondContact OE1-NE 2.86Å; E315-R422 IonicContact OE1-NH2 3.6Å; E315-R422 IonicContact OE2-CZ 2.94Å; E315-R422 IonicContact OE2-NE 2.6Å; E315-R422 PolarHBondContact OE2-NE 3.23Å; E315-R422 IonicContact OE2-NH2 2.99Å; E315-R422 PolarHBondContact OE2-NH2 2.89Å; L420-R422 PolarHBondContact O-N 2.86Å | ||
| 423 | T | 46.8 | Very low | 51.5 | Low | 141 Ų | 141 | 77.9 Ų | 77.9 | 87% | 0.865 | 42% | 0.424 | S | S | * | . | trans | -95 | -1.5 | 175.2 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 424 | Q | 53.4 | Low | 51.6 | Low | 172 Ų | 172 | 76.4 Ų | 76.4 | 80% | 0.804 | 42% | 0.415 | S | S | * | . | trans | -142.3 | 152.5 | -176.6 | 64.3 | -178.3 | 0.2 | 0 | 0 | 112.2 | ||||
| 425 | G | 53.7 | Low | 51.5 | Low | 70 Ų | 70 | 77.7 Ų | 77.7 | 72% | 0.722 | 43% | 0.426 | S | S | * | . | trans | -157.2 | 171.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 426 | I | 51.8 | Low | 51.8 | Low | 44 Ų | 44 | 73.6 Ų | 73.6 | 23% | 0.226 | 41% | 0.405 | C | S | . | . | trans | -123.5 | 136.6 | 179.4 | -55.8 | 176.4 | 0 | 0 | 0 | 108.1 | N284 | N284-I426 HydrophobicContact CB-CD1 4.04Å; N284-I426 WeakPolarHBondContact O-CD1 3.48Å | ||
| 427 | I | 59.5 | Low | 52.2 | Low | 54 Ų | 54 | 73.7 Ų | 73.7 | 28% | 0.277 | 41% | 0.405 | S | S | . | . | trans | -111.8 | 144.9 | 171.7 | 57.4 | 164.4 | 0 | 0 | 0 | 109.5 | I414 Y444 F446 I519 | I414-I427 HydrophobicContact CD1-CG2 3.53Å; I427-Y444 HydrophobicContact CB-CD1 4.41Å; I427-Y444 HydrophobicContact CB-CE1 4.3Å; I427-Y444 HydrophobicContact CD1-CD1 4.43Å; I427-Y444 HydrophobicContact CD1-CG 4.32Å; I427-Y444 HydrophobicContact CG2-CD1 4.16Å; I427-Y444 HydrophobicContact CG2-CE1 4.43Å; I427-F446 HydrophobicContact CD1-CZ 4.15Å; I427-F446 HydrophobicContact CG2-CZ 4.21Å; I427-I519 HydrophobicContact CD1-CD1 3.97Å | ||
| 428 | H | 58.2 | Low | 52.7 | Low | 46 Ų | 46 | 71.2 Ų | 71.2 | 21% | 0.213 | 40% | 0.404 | C | S | . | . | trans | -122.7 | 151.6 | 177.3 | -62.6 | -61.9 | 0 | 0 | 0 | 109.7 | Q286 F432 Y444 | Q286-H428 PolarHBondContact O-NE2 3.19Å; H428-F432 HydrophobicContact CB-CB 3.69Å; H428-F432 HydrophobicContact CB-CD1 3.88Å; H428-F432 HydrophobicContact CB-CG 3.9Å; H428-F432 AromaticContact CE1-CD1 3.8Å; H428-F432 AromaticContact CE1-CE1 3.52Å; H428-F432 AromaticContact CG-CD1 3.52Å; H428-F432 AromaticContact ND1-CD1 3.24Å; H428-F432 WeakPolarHBondContact ND1-CD1 3.47Å; H428-F432 AromaticContact ND1-CE1 3.3Å; H428-F432 VanDerWaalsContact ND1-CE1 3.3Å; H428-F432 WeakPolarHBondContact ND1-CE1 3.5Å; H428-F432 AromaticContact ND1-CG 3.87Å; H428-F432 AromaticContact ND1-CZ 3.99Å; H428-Y444 PolarHBondContact O-OH 2.82Å | ||
| 429 | S | 61.6 | Low | 53.3 | Low | 10 Ų | 10 | 74 Ų | 74 | 7% | 0.07 | 42% | 0.421 | C | S | . | . | trans | -60.7 | 158.7 | 168 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | Q431 F432 | S429-Q431 PolarHBondContact O-N 3.46Å; S429-F432 WeakPolarHBondContact O-CB 3.16Å; S429-F432 PolarHBondContact O-N 2.95Å | ||
| 430 | P | 60.7 | Low | 54.1 | Low | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.019 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 142.5 | 166.7 | -24.2 | 35.1 | 0 | 0 | 0 | 110.7 | F432 I440 A442 | P430-F432 PolarHBondContact O-N 3.35Å; P430-I440 HydrophobicContact CB-CD1 3.75Å; P430-I440 HydrophobicContact CG-CD1 3.7Å; P430-I440 HydrophobicContact CG-CG1 4.38Å; P430-A442 HydrophobicContact CG-CB 4.06Å |
| 431 | Q | 55.2 | Low | 55.1 | Low | 57 Ų | 57 | 62.7 Ų | 62.7 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -5.9 | -179.4 | -74.8 | -179.4 | -38.2 | 0 | 0 | 117.6 | P326 E329 S429 E434 P435 P437 | P326-Q431 WeakPolarHBondContact CG-O 3.43Å; E329-Q431 PolarHBondContact OE1-NE2 2.89Å; S429-Q431 PolarHBondContact O-N 3.46Å; Q431-E434 CarbonylContact C-O 3.12Å; Q431-E434 HydrophobicContact CB-CB 4.18Å; Q431-E434 WeakPolarHBondContact O-CA 3.48Å; Q431-E434 VanDerWaalsContact O-CB 3.29Å; Q431-E434 WeakPolarHBondContact O-CB 3.43Å; Q431-E434 PolarHBondContact O-N 2.85Å; Q431-P435 WeakPolarHBondContact CB-O 3.47Å; Q431-P435 PolarHBondContact OE1-O 2.68Å; Q431-P437 HydrophobicContact CG-CG 4.34Å |
| 432 | F | 50.5 | Low | 56 | Low | 29 Ų | 29 | 55 Ų | 55 | 13% | 0.127 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 127.2 | 177.4 | -173.1 | -94.2 | 0 | 0 | 0 | 112.6 | R248 P326 H428 S429 P430 | R248-F432 VanDerWaalsContact NH1-CZ 3.27Å; P326-F432 VanDerWaalsContact CG-O 3.25Å; P326-F432 WeakPolarHBondContact CG-O 2.95Å; H428-F432 HydrophobicContact CB-CB 3.69Å; H428-F432 HydrophobicContact CB-CD1 3.88Å; H428-F432 HydrophobicContact CB-CG 3.9Å; H428-F432 AromaticContact CE1-CD1 3.8Å; H428-F432 AromaticContact CE1-CE1 3.52Å; H428-F432 AromaticContact CG-CD1 3.52Å; H428-F432 AromaticContact ND1-CD1 3.24Å; H428-F432 WeakPolarHBondContact ND1-CD1 3.47Å; H428-F432 AromaticContact ND1-CE1 3.3Å; H428-F432 VanDerWaalsContact ND1-CE1 3.3Å; H428-F432 WeakPolarHBondContact ND1-CE1 3.5Å; H428-F432 AromaticContact ND1-CG 3.87Å; H428-F432 AromaticContact ND1-CZ 3.99Å; S429-F432 WeakPolarHBondContact O-CB 3.16Å; S429-F432 PolarHBondContact O-N 2.95Å; P430-F432 PolarHBondContact O-N 3.35Å |
| 433 | P | 45.6 | Very low | 56.6 | Low | 33 Ų | 33 | 51.3 Ų | 51.3 | 21% | 0.214 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -81.5 | -8.8 | 17.3 | 32.9 | -37.8 | 0 | 0 | 0 | 117.6 | R248 | R248-P433 VanDerWaalsContact CD-CB 3.47Š|
| 434 | E | 51.8 | Low | 57.6 | Low | 70 Ų | 70 | 45.4 Ų | 45.4 | 33% | 0.327 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -69.8 | 159.5 | 179.9 | -57.7 | -52 | 128.1 | 0 | 0 | 111.3 | L328 Q431 | L328-E434 WeakPolarHBondContact CD2-OE1 3.4Å; Q431-E434 CarbonylContact C-O 3.12Å; Q431-E434 HydrophobicContact CB-CB 4.18Å; Q431-E434 WeakPolarHBondContact O-CA 3.48Å; Q431-E434 VanDerWaalsContact O-CB 3.29Å; Q431-E434 WeakPolarHBondContact O-CB 3.43Å; Q431-E434 PolarHBondContact O-N 2.85Å |
| 435 | P | 54 | Low | 57.9 | Low | 80 Ų | 80 | 38.3 Ų | 38.3 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -50.9 | 144.1 | 170.2 | -24.7 | 34.6 | 0 | 0 | 0 | 110.5 | Q431 | Q431-P435 WeakPolarHBondContact CB-O 3.47Å; Q431-P435 PolarHBondContact OE1-O 2.68Å |
| 436 | Y | 57.7 | Low | 58.3 | Low | 8 Ų | 8 | 36.2 Ų | 36.2 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 154.6 | 174.2 | 50.1 | -123.6 | 0 | 0 | 0 | 110.5 | A368 A370 G464 D478 I523 | A368-Y436 HydrophobicContact CB-CD1 3.35Å; A368-Y436 HydrophobicContact CB-CE1 3Å; A368-Y436 PolarHBondContact O-OH 3.41Å; A368-Y436 VanDerWaalsContact O-OH 3.1Å; A370-Y436 HydrophobicContact CB-CD2 4.2Å; A370-Y436 HydrophobicContact CB-CE2 3.31Å; Y436-G464 PolarHBondContact OH-N 2.85Å; Y436-D478 VanDerWaalsContact OH-CG 3.22Å; Y436-D478 PolarHBondContact OH-OD2 2.94Å; Y436-I523 HydrophobicContact CD1-CD1 3.38Å; Y436-I523 HydrophobicContact CD1-CG1 4.12Å; Y436-I523 HydrophobicContact CD2-CB 4.21Å; Y436-I523 HydrophobicContact CD2-CD1 3.5Å; Y436-I523 HydrophobicContact CD2-CG1 3.9Å; Y436-I523 HydrophobicContact CD2-CG2 3.4Å; Y436-I523 VanDerWaalsContact CD2-CG2 3.4Å; Y436-I523 HydrophobicContact CE1-CD1 3.66Å; Y436-I523 HydrophobicContact CE1-CG1 3.88Å; Y436-I523 HydrophobicContact CE2-CB 4.02Å; Y436-I523 HydrophobicContact CE2-CD1 3.8Å; Y436-I523 HydrophobicContact CE2-CG1 3.67Å; Y436-I523 HydrophobicContact CE2-CG2 3.14Å; Y436-I523 HydrophobicContact CG-CD1 3.33Å; Y436-I523 HydrophobicContact CG-CG1 4.16Å; Y436-I523 HydrophobicContact CG-CG2 4.41Å |
| 437 | P | 57.7 | Low | 58.5 | Low | 31 Ų | 31 | 36 Ų | 36 | 20% | 0.201 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 149.5 | 172.1 | -13.6 | 24.2 | 0 | 0 | 0 | 111.1 | Q431 I440 | Q431-P437 HydrophobicContact CG-CG 4.34Å; P437-I440 HydrophobicContact CG-CD1 4Å; P437-I440 WeakPolarHBondContact O-CG2 3.27Å |
| 438 | P | 61.7 | Low | 58.5 | Low | 95 Ų | 95 | 33.8 Ų | 33.8 | 62% | 0.617 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 151.8 | 171.5 | 28.6 | -34.7 | 0 | 0 | 0 | 111.6 | I440 | P438-I440 PolarHBondContact O-N 3.2Š|
| 439 | S | 60.3 | Low | 58.5 | Low | 69 Ų | 69 | 35.8 Ų | 35.8 | 48% | 0.483 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 41.1 | 173.7 | -56.8 | 0 | 0 | 0 | 0 | 114.1 | I523 | S439-I523 CarbonylContact C-O 3.56Å; S439-I523 WeakPolarHBondContact CA-O 3.25Å; S439-I523 PolarHBondContact N-O 3.36Å |
| 440 | I | 62.2 | Low | 58.1 | Low | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.9 | -179.5 | -167.8 | 160.9 | 0 | 0 | 0 | 111.5 | P430 P437 P438 I523 | P430-I440 HydrophobicContact CB-CD1 3.75Å; P430-I440 HydrophobicContact CG-CD1 3.7Å; P430-I440 HydrophobicContact CG-CG1 4.38Å; P437-I440 HydrophobicContact CG-CD1 4Å; P437-I440 WeakPolarHBondContact O-CG2 3.27Å; P438-I440 PolarHBondContact O-N 3.2Å; I440-I523 HydrophobicContact CG2-CB 3.78Å; I440-I523 HydrophobicContact CG2-CD1 3.37Å; I440-I523 HydrophobicContact CG2-CG1 4.19Å; I440-I523 HydrophobicContact CG2-CG2 4.12Å; I440-I523 PolarHBondContact N-O 3.29Å; I440-I523 WeakPolarHBondContact O-CB 3.29Å; I440-I523 PolarHBondContact O-N 2.8Å |
| 441 | I | 61.6 | Low | 57.8 | Low | 26 Ų | 26 | 46.4 Ų | 46.4 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 118.4 | 172.4 | -56 | -178.2 | 0 | 0 | 0 | 108.1 | Y408 V409 R410 M443 L520 Q521 R522 | Y408-I441 PolarHBondContact O-N 2.94Å; V409-I441 CarbonylContact C-O 3.58Å; V409-I441 WeakPolarHBondContact CA-O 3.39Å; V409-I441 HydrophobicContact CG2-CB 4.4Å; R410-I441 PolarHBondContact N-O 2.87Å; I441-M443 HydrophobicContact CG2-CG 4.28Å; I441-L520 HydrophobicContact CG2-CD1 3.54Å; I441-Q521 CarbonylContact C-O 3.56Å; I441-Q521 VanDerWaalsContact CA-O 3.31Å; I441-Q521 WeakPolarHBondContact CA-O 3.41Å; I441-R522 HydrophobicContact CD1-CG 4.46Å; I441-R522 HydrophobicContact CG1-CG 4.23Å |
| 442 | A | 63.8 | Low | 58 | Low | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R410 P430 Y444 Q521 | R410-A442 CarbonylContact O-C 3.55Å; R410-A442 WeakPolarHBondContact O-CA 3.44Å; P430-A442 HydrophobicContact CG-CB 4.06Å; A442-Y444 HydrophobicContact CB-CE2 3.81Å; A442-Q521 HydrophobicContact CB-CB 4.24Å; A442-Q521 PolarHBondContact N-O 2.87Å; A442-Q521 PolarHBondContact O-N 2.81Å |
| 443 | M | 60.9 | Low | 58.3 | Low | 33 Ų | 33 | 49.7 Ų | 49.7 | 16% | 0.163 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.8 | -173.4 | -73.8 | 174 | 85.9 | 0 | 0 | 109.1 | V409 R410 K411 K412 I441 F518 I519 L520 | V409-M443 HydrophobicContact CG1-SD 4.11Å; R410-M443 WeakPolarHBondContact O-CB 3.14Å; R410-M443 PolarHBondContact O-N 2.84Å; K411-M443 CarbonylContact C-O 3.54Å; K411-M443 WeakPolarHBondContact CA-O 3.46Å; K411-M443 HydrophobicContact CB-CB 4.48Å; K411-M443 HydrophobicContact CD-SD 4.3Å; K411-M443 HydrophobicContact CG-CB 4Å; K411-M443 HydrophobicContact CG-SD 3.89Å; K412-M443 PolarHBondContact N-O 2.63Å; I441-M443 HydrophobicContact CG2-CG 4.28Å; M443-F518 HydrophobicContact CB-CE2 3.81Å; M443-F518 HydrophobicContact CB-CZ 4.29Å; M443-F518 HydrophobicContact CE-CE1 4.48Å; M443-F518 HydrophobicContact CE-CE2 3.45Å; M443-F518 VanDerWaalsContact CE-CE2 3.45Å; M443-F518 HydrophobicContact CE-CZ 3.31Å; M443-F518 HydrophobicContact CG-CE2 3.87Å; M443-F518 HydrophobicContact CG-CZ 3.84Å; M443-F518 HydrophobicContact SD-CE2 4.49Å; M443-F518 HydrophobicContact SD-CZ 4.37Å; M443-I519 CarbonylContact C-O 3.58Å; M443-I519 WeakPolarHBondContact CA-O 3.4Å; M443-L520 HydrophobicContact CG-CD1 3.48Å; M443-L520 VanDerWaalsContact CG-CD1 3.48Å; M443-L520 HydrophobicContact SD-CD1 4.26Å |
| 444 | Y | 67.4 | Low | 59 | Low | 17 Ų | 17 | 49.4 Ų | 49.4 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117 | 177.1 | -54.5 | -97.7 | 0 | 0 | 0 | 109.6 | K412 I427 H428 A442 F518 I519 | K412-Y444 HydrophobicContact CB-CD1 3.83Å; K412-Y444 HydrophobicContact CB-CE1 4.2Å; K412-Y444 HydrophobicContact CD-CD1 3.95Å; K412-Y444 HydrophobicContact CD-CE1 3.94Å; K412-Y444 HydrophobicContact CG-CD1 4.36Å; K412-Y444 CarbonylContact O-C 3.54Å; K412-Y444 VanDerWaalsContact O-CA 3.32Å; K412-Y444 WeakPolarHBondContact O-CA 3.49Å; I427-Y444 HydrophobicContact CB-CD1 4.41Å; I427-Y444 HydrophobicContact CB-CE1 4.3Å; I427-Y444 HydrophobicContact CD1-CD1 4.43Å; I427-Y444 HydrophobicContact CD1-CG 4.32Å; I427-Y444 HydrophobicContact CG2-CD1 4.16Å; I427-Y444 HydrophobicContact CG2-CE1 4.43Å; H428-Y444 PolarHBondContact O-OH 2.82Å; A442-Y444 HydrophobicContact CB-CE2 3.81Å; Y444-F518 CarbonylContact O-C 3.45Å; Y444-F518 WeakPolarHBondContact O-CA 3.11Å; Y444-I519 HydrophobicContact CD2-CB 4.45Å; Y444-I519 HydrophobicContact CD2-CG2 4.48Å; Y444-I519 PolarHBondContact N-O 3.42Å; Y444-I519 PolarHBondContact O-N 3.07Å |
| 445 | T | 59.7 | Low | 59.2 | Low | 23 Ų | 23 | 51.6 Ų | 51.6 | 14% | 0.141 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.5 | 176.3 | -53.5 | 0 | 0 | 0 | 0 | 109 | K412 L413 I414 I447 M486 Y517 | K412-T445 PolarHBondContact O-N 3.42Å; L413-T445 CarbonylContact C-O 3.55Å; L413-T445 HydrophobicContact CD1-CG2 3.76Å; I414-T445 PolarHBondContact N-O 3.16Å; T445-I447 HydrophobicContact CG2-CG1 4.28Å; T445-M486 HydrophobicContact CG2-CE 4.38Å; T445-Y517 CarbonylContact C-O 3.48Å; T445-Y517 WeakPolarHBondContact CA-O 3.26Å |
| 446 | F | 62.2 | Low | 59.5 | Low | 26 Ų | 26 | 48.8 Ų | 48.8 | 11% | 0.114 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.2 | 176.9 | -61.5 | -98.4 | 0 | 0 | 0 | 109.2 | I414 I427 I454 E516 Y517 I519 | I414-F446 HydrophobicContact CB-CD1 3.83Å; I414-F446 HydrophobicContact CB-CE1 4.18Å; I414-F446 HydrophobicContact CB-CG 4.44Å; I414-F446 HydrophobicContact CD1-CD1 3.94Å; I414-F446 HydrophobicContact CD1-CE1 3.38Å; I414-F446 HydrophobicContact CD1-CE2 4.47Å; I414-F446 HydrophobicContact CD1-CZ 3.69Å; I414-F446 HydrophobicContact CG1-CD1 4.48Å; I414-F446 HydrophobicContact CG1-CE1 4.36Å; I414-F446 HydrophobicContact CG2-CD1 3.82Å; I414-F446 HydrophobicContact CG2-CE1 4.12Å; I414-F446 CarbonylContact O-C 3.5Å; I414-F446 VanDerWaalsContact O-CA 3.29Å; I414-F446 WeakPolarHBondContact O-CA 3.44Å; I427-F446 HydrophobicContact CD1-CZ 4.15Å; I427-F446 HydrophobicContact CG2-CZ 4.21Å; F446-I454 HydrophobicContact CB-CD1 3.52Å; F446-I454 HydrophobicContact CB-CG2 4.09Å; F446-I454 HydrophobicContact CD1-CG2 4.22Å; F446-I454 HydrophobicContact CG-CG2 4.21Å; F446-E516 CarbonylContact O-C 3.17Å; F446-E516 VanDerWaalsContact O-CA 3.29Å; F446-E516 WeakPolarHBondContact O-CA 3.4Å; F446-Y517 PolarHBondContact N-O 2.95Å; F446-Y517 PolarHBondContact O-N 3.47Å; F446-I519 HydrophobicContact CE2-CD1 3.65Å; F446-I519 HydrophobicContact CE2-CG1 4.06Å; F446-I519 HydrophobicContact CZ-CD1 4.24Å |
| 447 | I | 56.8 | Low | 59.1 | Low | 38 Ų | 38 | 55.9 Ų | 55.9 | 20% | 0.195 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 111.6 | 177.7 | -55.5 | -176.1 | 0 | 0 | 0 | 108.2 | L413 I414 I415 S416 T445 M486 P515 E516 | L413-I447 HydrophobicContact CD1-CD1 3.69Å; L413-I447 HydrophobicContact CD1-CG1 3.99Å; L413-I447 HydrophobicContact CG-CD1 4.5Å; I414-I447 PolarHBondContact O-N 3.16Å; I415-I447 CarbonylContact C-O 3.52Å; I415-I447 WeakPolarHBondContact CA-O 3.38Å; I415-I447 HydrophobicContact CG1-CB 4.4Å; I415-I447 HydrophobicContact CG2-CB 4.41Å; S416-I447 PolarHBondContact N-O 3.32Å; T445-I447 HydrophobicContact CG2-CG1 4.28Å; I447-M486 HydrophobicContact CD1-CE 4.33Å; I447-P515 CarbonylContact C-O 3.55Å; I447-E516 HydrophobicContact CG1-CG 4.34Å; I447-E516 HydrophobicContact CG2-CG 4.23Å |
| 448 | G | 59.6 | Low | 59.1 | Low | 8 Ų | 8 | 56.9 Ų | 56.9 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | trans | -97.4 | 175.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E452 P515 | G448-E452 WeakPolarHBondContact CA-OE2 3.29Å; G448-P515 WeakPolarHBondContact CA-O 3.29Å; G448-P515 PolarHBondContact N-O 3.2Å; G448-P515 VanDerWaalsContact O-CB 3.3Å; G448-P515 WeakPolarHBondContact O-CB 3.39Å | ||
| 449 | Q | 57.1 | Low | 58.4 | Low | 89 Ų | 89 | 57 Ų | 57 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | trans | -76.5 | 157.7 | 165.2 | -60.6 | -64.5 | -40.5 | 0 | 0 | 110.3 | T451 E452 | Q449-T451 PolarHBondContact O-N 3.48Å; Q449-E452 HydrophobicContact CB-CB 4.5Å; Q449-E452 HydrophobicContact CB-CG 3.93Å; Q449-E452 PolarHBondContact N-OE2 3.05Å; Q449-E452 WeakPolarHBondContact O-CB 3.29Å; Q449-E452 PolarHBondContact O-N 3.29Å | ||
| 450 | P | 53.6 | Low | 57.7 | Low | 102 Ų | 102 | 55.7 Ų | 55.7 | 66% | 0.662 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -20.7 | -175.8 | -28.8 | 35.4 | 0 | 0 | 0 | 116.5 | ||
| 451 | T | 55.3 | Low | 57.5 | Low | 134 Ų | 134 | 56.9 Ų | 56.9 | 82% | 0.822 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -0.4 | 178.5 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | Q449 | Q449-T451 PolarHBondContact O-N 3.48Š|
| 452 | E | 58.6 | Low | 56.9 | Low | 53 Ų | 53 | 58.3 Ų | 58.3 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | trans | -90.3 | 138.1 | -178 | -71.6 | 175.9 | 167.8 | 0 | 0 | 110.9 | S416 G448 Q449 | S416-E452 WeakPolarHBondContact CB-OE2 3.46Å; S416-E452 PolarHBondContact OG-OE1 2.85Å; S416-E452 VanDerWaalsContact OG-OE1 3.05Å; S416-E452 PolarHBondContact OG-OE2 3.16Å; G448-E452 WeakPolarHBondContact CA-OE2 3.29Å; Q449-E452 HydrophobicContact CB-CB 4.5Å; Q449-E452 HydrophobicContact CB-CG 3.93Å; Q449-E452 PolarHBondContact N-OE2 3.05Å; Q449-E452 WeakPolarHBondContact O-CB 3.29Å; Q449-E452 PolarHBondContact O-N 3.29Å | ||
| 453 | I | 57.4 | Low | 56.9 | Low | 101 Ų | 101 | 58.4 Ų | 58.4 | 52% | 0.518 | 30% | 0.302 | S | S | . | . | trans | -104.4 | 124.3 | 175.7 | -57.4 | 172.8 | 0 | 0 | 0 | 107.4 | L455 T511 | I453-L455 PolarHBondContact O-N 3.45Å; I453-T511 HydrophobicContact CG2-CG2 4.11Å | ||
| 454 | I | 59.6 | Low | 56.7 | Low | 28 Ų | 28 | 56.9 Ų | 56.9 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | trans | -89.8 | 109.9 | 177.7 | -52.4 | -159.4 | 0 | 0 | 0 | 108.7 | F446 V456 Y517 | F446-I454 HydrophobicContact CB-CD1 3.52Å; F446-I454 HydrophobicContact CB-CG2 4.09Å; F446-I454 HydrophobicContact CD1-CG2 4.22Å; F446-I454 HydrophobicContact CG-CG2 4.21Å; I454-V456 HydrophobicContact CG2-CG2 4.31Å; I454-Y517 HydrophobicContact CB-CD2 3.59Å; I454-Y517 HydrophobicContact CB-CE2 3.91Å; I454-Y517 HydrophobicContact CD1-CD2 3.87Å; I454-Y517 HydrophobicContact CD1-CE2 4.36Å; I454-Y517 HydrophobicContact CG1-CD2 3.82Å; I454-Y517 HydrophobicContact CG1-CE2 3.99Å; I454-Y517 HydrophobicContact CG2-CD2 4.23Å | ||
| 455 | L | 55.5 | Low | 56.3 | Low | 116 Ų | 116 | 60.7 Ų | 60.7 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | trans | -90.2 | 112.4 | 175.8 | -174.2 | 77 | 0 | 0 | 0 | 109.8 | I453 | I453-L455 PolarHBondContact O-N 3.45Š| ||
| 456 | V | 60.2 | Low | 56.2 | Low | 21 Ų | 21 | 61.1 Ų | 61.1 | 13% | 0.127 | 32% | 0.32 | C | S | . | . | trans | -98.6 | 118 | 171.9 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | I454 F458 L482 I519 | I454-V456 HydrophobicContact CG2-CG2 4.31Å; V456-F458 HydrophobicContact CG1-CE2 4.38Å; V456-F458 HydrophobicContact CG1-CZ 4.41Å; V456-L482 HydrophobicContact CB-CD2 4.33Å; V456-L482 HydrophobicContact CG2-CD1 4.28Å; V456-I519 HydrophobicContact CG1-CD1 3.95Å; V456-I519 HydrophobicContact CG2-CD1 4.47Å | ||
| 457 | K | 50.8 | Low | 56 | Low | 157 Ų | 157 | 64.7 Ų | 64.7 | 68% | 0.683 | 34% | 0.34 | S | S | * | . | trans | -119.8 | 120.1 | 173.9 | -174.7 | 177.5 | 178.9 | -177 | 0 | 109.8 | L459 | K457-L459 HydrophobicContact CD-CD2 3.93Å; K457-L459 HydrophobicContact CG-CD2 4.2Å; K457-L459 PolarHBondContact O-N 3.28Å; K457-L459 VanDerWaalsContact O-N 3.08Å | ||
| 458 | F | 56.6 | Low | 56.2 | Low | 52 Ų | 52 | 63.5 Ų | 63.5 | 23% | 0.228 | 34% | 0.335 | C | S | . | . | trans | -72.1 | 100.2 | 165 | -61 | -80.6 | 0 | 0 | 0 | 107.6 | V456 F460 L461 I480 I494 Y496 | V456-F458 HydrophobicContact CG1-CE2 4.38Å; V456-F458 HydrophobicContact CG1-CZ 4.41Å; F458-F460 PolarHBondContact O-N 2.79Å; F458-L461 HydrophobicContact CB-CB 4.4Å; F458-L461 HydrophobicContact CD1-CD1 4.41Å; F458-L461 HydrophobicContact CD1-CD2 4.43Å; F458-I480 HydrophobicContact CE1-CD1 4.41Å; F458-I480 HydrophobicContact CE1-CG2 4.03Å; F458-I480 HydrophobicContact CZ-CG2 4.07Å; F458-I494 HydrophobicContact CE2-CG2 4.46Å; F458-Y496 AromaticContact CD2-CE2 4Å; F458-Y496 HydrophobicContact CD2-CE2 4Å; F458-Y496 AromaticContact CE2-CE2 3.75Å; F458-Y496 HydrophobicContact CE2-CE2 3.75Å; F458-Y496 HydrophobicContact CZ-CE2 4.17Å | ||
| 459 | L | 47.9 | Very low | 56.3 | Low | 98 Ų | 98 | 64.5 Ų | 64.5 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -66.5 | -21.2 | 175.2 | -65 | 178.9 | 0 | 0 | 0 | 111.8 | K457 | K457-L459 HydrophobicContact CD-CD2 3.93Å; K457-L459 HydrophobicContact CG-CD2 4.2Å; K457-L459 PolarHBondContact O-N 3.28Å; K457-L459 VanDerWaalsContact O-N 3.08Å |
| 460 | F | 44.6 | Very low | 56.5 | Low | 41 Ų | 41 | 66.8 Ų | 66.8 | 18% | 0.18 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -161.6 | 140.6 | -161.7 | -165.6 | -74.9 | 0 | 0 | 0 | 102.4 | L365 F366 F367 F458 | L365-F460 HydrophobicContact CB-CE2 3.34Å; L365-F460 HydrophobicContact CB-CZ 3.21Å; L365-F460 HydrophobicContact CD1-CE2 4.48Å; L365-F460 HydrophobicContact CD2-CD2 4.14Å; L365-F460 HydrophobicContact CD2-CE1 4.2Å; L365-F460 HydrophobicContact CD2-CE2 3.37Å; L365-F460 HydrophobicContact CD2-CZ 3.22Å; L365-F460 HydrophobicContact CG-CD2 4.1Å; L365-F460 HydrophobicContact CG-CE2 3.09Å; L365-F460 HydrophobicContact CG-CZ 3.3Å; L365-F460 WeakPolarHBondContact O-CZ 3.27Å; F366-F460 VanDerWaalsContact CA-CE1 3.45Å; F366-F460 HydrophobicContact CB-CD1 3.92Å; F366-F460 HydrophobicContact CB-CD2 4.22Å; F366-F460 HydrophobicContact CB-CE1 4.17Å; F366-F460 HydrophobicContact CB-CE2 3.99Å; F366-F460 HydrophobicContact CB-CG 4.3Å; F366-F460 HydrophobicContact CB-CZ 4.19Å; F366-F460 WeakPolarHBondContact O-CD1 3.32Å; F366-F460 WeakPolarHBondContact O-CE1 3.05Å; F367-F460 HydrophobicContact CB-CD1 3.9Å; F367-F460 HydrophobicContact CB-CE1 3.49Å; F367-F460 VanDerWaalsContact CB-CE1 3.49Å; F367-F460 HydrophobicContact CD2-CB 3.81Å; F367-F460 AromaticContact CD2-CD1 2.88Å; F367-F460 HydrophobicContact CD2-CD1 2.88Å; F367-F460 AromaticContact CD2-CE1 3.19Å; F367-F460 HydrophobicContact CD2-CE1 3.19Å; F367-F460 AromaticContact CD2-CG 3.86Å; F367-F460 HydrophobicContact CD2-CG 3.86Å; F367-F460 WeakPolarHBondContact CD2-O 3.16Å; F367-F460 HydrophobicContact CE2-CB 3.49Å; F367-F460 VanDerWaalsContact CE2-CB 3.49Å; F367-F460 AromaticContact CE2-CD1 3.35Å; F367-F460 HydrophobicContact CE2-CD1 3.35Å; F367-F460 HydrophobicContact CE2-CE1 4.09Å; F367-F460 AromaticContact CE2-CG 3.96Å; F367-F460 HydrophobicContact CE2-CG 3.96Å; F367-F460 WeakPolarHBondContact CE2-O 3.16Å; F367-F460 AromaticContact CG-CD1 3.54Å; F367-F460 HydrophobicContact CG-CD1 3.54Å; F367-F460 AromaticContact CG-CE1 3.65Å; F367-F460 HydrophobicContact CG-CE1 3.65Å; F367-F460 HydrophobicContact CZ-CD1 4.4Å; F458-F460 PolarHBondContact O-N 2.79Å |
| 461 | L | 58.4 | Low | 56.6 | Low | 31 Ų | 31 | 66 Ų | 66 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | trans | -158.8 | 132.1 | 168.4 | -177.3 | 62.2 | 0 | 0 | 0 | 112.7 | F367 F458 L463 I480 Y496 | F367-L461 HydrophobicContact CD2-CB 4.45Å; F367-L461 VanDerWaalsContact CD2-N 3.26Å; F458-L461 HydrophobicContact CB-CB 4.4Å; F458-L461 HydrophobicContact CD1-CD1 4.41Å; F458-L461 HydrophobicContact CD1-CD2 4.43Å; L461-L463 HydrophobicContact CD1-CD2 4.46Å; L461-L463 HydrophobicContact CD1-CG 4.28Å; L461-I480 HydrophobicContact CD1-CD1 3.53Å; L461-Y496 HydrophobicContact CD2-CD1 3.34Å; L461-Y496 HydrophobicContact CD2-CD2 3.52Å; L461-Y496 HydrophobicContact CD2-CE1 3.49Å; L461-Y496 VanDerWaalsContact CD2-CE1 3.49Å; L461-Y496 HydrophobicContact CD2-CE2 3.67Å; L461-Y496 HydrophobicContact CD2-CG 3.35Å | ||
| 462 | E | 49.6 | Very low | 56.6 | Low | 57 Ų | 57 | 69 Ų | 69 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | trans | -161.8 | 139.8 | 177.8 | 170.6 | 177.3 | -176.4 | 0 | 0 | 107.9 | F367 A368 N499 | F367-E462 HydrophobicContact CB-CB 3.72Å; F367-E462 VanDerWaalsContact CB-O 3.25Å; F367-E462 WeakPolarHBondContact CB-O 3.36Å; F367-E462 WeakPolarHBondContact O-CB 3.14Å; F367-E462 WeakPolarHBondContact O-CG 3.41Å; A368-E462 VanDerWaalsContact CB-O 3.29Å; A368-E462 WeakPolarHBondContact CB-O 3.4Å; A368-E462 CarbonylContact O-C 3.37Å; E462-N499 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 463 | L | 63.1 | Low | 56.2 | Low | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | trans | -140.3 | 144.1 | -172.1 | -63.8 | 173.6 | 0 | 0 | 0 | 106.2 | A368 L461 D478 I480 N499 | A368-L463 CarbonylContact O-C 3.57Å; A368-L463 WeakPolarHBondContact O-CA 3.38Å; A368-L463 PolarHBondContact O-N 3Å; L461-L463 HydrophobicContact CD1-CD2 4.46Å; L461-L463 HydrophobicContact CD1-CG 4.28Å; L463-D478 HydrophobicContact CB-CB 3.96Å; L463-D478 HydrophobicContact CD2-CB 4.32Å; L463-I480 HydrophobicContact CD1-CG1 4.43Å; L463-I480 HydrophobicContact CD2-CD1 4.1Å; L463-I480 HydrophobicContact CD2-CG1 3.98Å; L463-N499 WeakPolarHBondContact CB-OD1 3.45Å; L463-N499 PolarHBondContact N-ND2 3.28Å; L463-N499 PolarHBondContact N-OD1 3.48Å; L463-N499 PolarHBondContact O-ND2 2.97Å | ||
| 464 | G | 58 | Low | 55.9 | Low | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | trans | -55 | 143 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A368 A370 Y436 D478 E498 | A368-G464 PolarHBondContact O-N 2.97Å; A370-G464 VanDerWaalsContact N-CA 3.33Å; A370-G464 WeakPolarHBondContact O-CA 3.48Å; Y436-G464 PolarHBondContact OH-N 2.85Å; G464-D478 VanDerWaalsContact CA-OD2 3.23Å; G464-D478 WeakPolarHBondContact CA-OD2 3.43Å; G464-D478 PolarHBondContact N-OD2 2.78Å; G464-E498 VanDerWaalsContact O-CG 3.26Å; G464-E498 WeakPolarHBondContact O-CG 3.46Å | ||
| 465 | N | 58.2 | Low | 55.6 | Low | 97 Ų | 97 | 76.1 Ų | 76.1 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | trans | -113.5 | 106.3 | -178 | -176.7 | 10.1 | 0 | 0 | 0 | 110.9 | N467 E498 | N465-N467 PolarHBondContact OD1-N 3.37Å; N465-E498 HydrophobicContact CB-CB 4.47Å | ||
| 466 | S | 57.4 | Low | 55.7 | Low | 32 Ų | 32 | 73.1 Ų | 73.1 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | trans | -116.5 | 9 | -178.2 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | F372 S468 E498 | F372-S466 WeakPolarHBondContact CE2-OG 3.29Å; S466-S468 PolarHBondContact O-N 2.55Å; S466-S468 VanDerWaalsContact O-N 3.11Å; S466-S468 PolarHBondContact O-OG 3.07Å; S466-S468 WeakPolarHBondContact OG-CB 3.36Å; S466-S468 PolarHBondContact OG-OG 2.74Å; S466-E498 VanDerWaalsContact C-OE1 3.28Å; S466-E498 VanDerWaalsContact CA-OE1 3.3Å; S466-E498 WeakPolarHBondContact CA-OE1 3Å; S466-E498 PolarHBondContact N-OE1 3.26Å; S466-E498 PolarHBondContact OG-OE1 3.15Å | ||
| 467 | N | 57.4 | Low | 55.7 | Low | 101 Ų | 101 | 72.4 Ų | 72.4 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 52.8 | 19.7 | -168 | -60.1 | -32.4 | 0 | 0 | 0 | 113.9 | N465 E498 | N465-N467 PolarHBondContact OD1-N 3.37Å; N467-E498 WeakPolarHBondContact CA-OE2 3.17Å; N467-E498 PolarHBondContact N-OE1 3.21Å; N467-E498 PolarHBondContact N-OE2 2.86Å |
| 468 | S | 60.8 | Low | 56.5 | Low | 13 Ų | 13 | 65 Ų | 65 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -86.4 | -16.3 | -173.5 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | S466 E470 N471 L476 E498 | S466-S468 PolarHBondContact O-N 2.55Å; S466-S468 VanDerWaalsContact O-N 3.11Å; S466-S468 PolarHBondContact O-OG 3.07Å; S466-S468 WeakPolarHBondContact OG-CB 3.36Å; S466-S468 PolarHBondContact OG-OG 2.74Å; S468-E470 PolarHBondContact O-N 3.01Å; S468-N471 PolarHBondContact O-N 3.16Å; S468-L476 CarbonylContact C-O 3.54Å; S468-L476 VanDerWaalsContact CB-CB 3.42Å; S468-L476 WeakPolarHBondContact CB-O 3.49Å; S468-E498 PolarHBondContact N-OE1 2.93Å; S468-E498 PolarHBondContact N-OE2 3.27Å |
| 469 | C | 62.4 | Low | 57.2 | Low | 30 Ų | 30 | 63.9 Ų | 63.9 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -69 | -16.4 | 174.8 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | C497 E498 | C469-C497 HydrophobicContact CB-CB 3.97Å; C469-C497 WeakPolarHBondContact CB-SG 3.2Å; C469-C497 WeakPolarHBondContact SG-CB 3.44Å; C469-C497 CovalentContact SG-SG 2.02Å; C469-C497 PolarHBondContact SG-SG 2.87Å; C469-E498 HydrophobicContact CB-CG 4.47Å; C469-E498 PolarHBondContact N-OE2 3.42Å; C469-E498 WeakPolarHBondContact SG-CG 3.45Å; C469-E498 PolarHBondContact SG-OE2 2.9Å; C469-E498 VanDerWaalsContact SG-OE2 3.34Å |
| 470 | E | 61.6 | Low | 58.5 | Low | 137 Ų | 137 | 59.7 Ų | 59.7 | 64% | 0.64 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -93.6 | -13.2 | -179.2 | -67.1 | 178.3 | -169 | 0 | 0 | 113 | S468 K500 | S468-E470 PolarHBondContact O-N 3.01Å; E470-K500 IonicContact OE1-NZ 2.84Å; E470-K500 PolarHBondContact OE1-NZ 2.81Å |
| 471 | N | 56.2 | Low | 59.9 | Low | 84 Ų | 84 | 58.8 Ų | 58.8 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -75.2 | 143.3 | -179 | -68.7 | -35.2 | 0 | 0 | 0 | 111.2 | S468 N473 K474 | S468-N471 PolarHBondContact O-N 3.16Å; N471-N473 CarbonylContact O-C 3.2Å; N471-N473 PolarHBondContact O-N 3.11Å; N471-K474 PolarHBondContact O-N 3.37Å |
| 472 | E | 55.1 | Low | 60.5 | Low | 198 Ų | 198 | 57.4 Ų | 57.4 | 93% | 0.925 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -53.2 | -29.7 | 176.8 | -67.8 | -167.8 | 160.1 | 0 | 0 | 112.3 | K474 | E472-K474 VanDerWaalsContact C-N 3.34Å; E472-K474 PolarHBondContact O-N 3.34Å; E472-K474 VanDerWaalsContact O-N 3.11Å |
| 473 | N | 49.6 | Very low | 61.4 | Low | 117 Ų | 117 | 55.1 Ų | 55.1 | 63% | 0.626 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -79.5 | 82.1 | 163.1 | -69 | -17.8 | 0 | 0 | 0 | 109.6 | N471 S475 | N471-N473 CarbonylContact O-C 3.2Å; N471-N473 PolarHBondContact O-N 3.11Å; N473-S475 PolarHBondContact O-N 2.93Å |
| 474 | K | 50.9 | Low | 61.6 | Low | 175 Ų | 175 | 56.6 Ų | 56.6 | 76% | 0.761 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 17.8 | 172.2 | -61.6 | -179.1 | 177.2 | -178.6 | 0 | 115 | N471 E472 R479 | N471-K474 PolarHBondContact O-N 3.37Å; E472-K474 VanDerWaalsContact C-N 3.34Å; E472-K474 PolarHBondContact O-N 3.34Å; E472-K474 VanDerWaalsContact O-N 3.11Å; K474-R479 PolarHBondContact O-NH1 2.82Å; K474-R479 VanDerWaalsContact O-NH1 3.07Å |
| 475 | S | 54.5 | Low | 62 | Low | 39 Ų | 39 | 56.8 Ų | 56.8 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -1.2 | -167.5 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | N473 | N473-S475 PolarHBondContact O-N 2.93Š|
| 476 | L | 55.9 | Low | 62.1 | Low | 53 Ų | 53 | 55.5 Ų | 55.5 | 28% | 0.277 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -122.5 | 128.7 | -175.2 | -66.4 | 162.3 | 0 | 0 | 0 | 106.4 | M404 S468 | M404-L476 HydrophobicContact CE-CD2 3.53Å; M404-L476 HydrophobicContact SD-CD2 4.38Å; S468-L476 CarbonylContact C-O 3.54Å; S468-L476 VanDerWaalsContact CB-CB 3.42Å; S468-L476 WeakPolarHBondContact CB-O 3.49Å |
| 477 | G | 61.6 | Low | 62.1 | Low | 6 Ų | 6 | 59.4 Ų | 59.4 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 125.4 | 139.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R479 | G477-R479 PolarHBondContact O-N 3.34Š|
| 478 | D | 66.1 | Low | 62.5 | Low | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | trans | -68.5 | 127 | -179.6 | -64.1 | -17.1 | 0 | 0 | 0 | 109.7 | Y436 L463 G464 C497 E498 I523 | Y436-D478 VanDerWaalsContact OH-CG 3.22Å; Y436-D478 PolarHBondContact OH-OD2 2.94Å; L463-D478 HydrophobicContact CB-CB 3.96Å; L463-D478 HydrophobicContact CD2-CB 4.32Å; G464-D478 VanDerWaalsContact CA-OD2 3.23Å; G464-D478 WeakPolarHBondContact CA-OD2 3.43Å; G464-D478 PolarHBondContact N-OD2 2.78Å; D478-C497 WeakPolarHBondContact O-CA 3.28Å; D478-E498 PolarHBondContact O-N 2.98Å; D478-I523 WeakPolarHBondContact OD1-CA 3.26Å | ||
| 479 | R | 71.6 | Confident | 63 | Low | 28 Ų | 28 | 61.7 Ų | 61.7 | 11% | 0.106 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 152 | -176.9 | 65.4 | 177.6 | -178.8 | -131.1 | 15.1 | 114.6 | K474 G477 Y496 C497 Q521 R522 | K474-R479 PolarHBondContact O-NH1 2.82Å; K474-R479 VanDerWaalsContact O-NH1 3.07Å; G477-R479 PolarHBondContact O-N 3.34Å; R479-Y496 CarbonylContact C-O 3.6Å; R479-Y496 WeakPolarHBondContact CA-O 3.46Å; R479-Y496 WeakPolarHBondContact CB-O 3.25Å; R479-C497 HydrophobicContact CB-CB 4.35Å; R479-Q521 CarbonylContact O-C 3.53Å; R479-Q521 VanDerWaalsContact O-CA 3.32Å; R479-Q521 WeakPolarHBondContact O-CA 3.25Å; R479-R522 HydrophobicContact CG-CB 3.9Å; R479-R522 PolarHBondContact N-O 3.01Å; R479-R522 VanDerWaalsContact NH2-NH1 3.13Å; R479-R522 PolarHBondContact O-N 3.48Å |
| 480 | I | 76.1 | Confident | 63.5 | Low | 10 Ų | 10 | 62.4 Ų | 62.4 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.8 | 168.1 | -64.5 | -177.9 | 0 | 0 | 0 | 108.2 | F458 L461 L463 E495 Y496 I519 Q521 | F458-I480 HydrophobicContact CE1-CD1 4.41Å; F458-I480 HydrophobicContact CE1-CG2 4.03Å; F458-I480 HydrophobicContact CZ-CG2 4.07Å; L461-I480 HydrophobicContact CD1-CD1 3.53Å; L463-I480 HydrophobicContact CD1-CG1 4.43Å; L463-I480 HydrophobicContact CD2-CD1 4.1Å; L463-I480 HydrophobicContact CD2-CG1 3.98Å; I480-E495 CarbonylContact O-C 3.59Å; I480-E495 VanDerWaalsContact O-CA 3.3Å; I480-E495 WeakPolarHBondContact O-CA 3.3Å; I480-Y496 PolarHBondContact N-O 3.35Å; I480-Y496 PolarHBondContact O-N 3.03Å; I480-I519 HydrophobicContact CG2-CG2 3.84Å; I480-Q521 HydrophobicContact CG1-CB 4.21Å; I480-Q521 HydrophobicContact CG1-CG 3.92Å |
| 481 | Q | 72.6 | Confident | 64.2 | Low | 21 Ų | 21 | 59.2 Ų | 59.2 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.2 | 177.5 | -64.1 | 176.4 | -52.8 | 0 | 0 | 108.5 | F483 L492 I494 E495 I519 L520 | Q481-F483 HydrophobicContact CB-CD2 4.2Å; Q481-F483 HydrophobicContact CB-CE2 3.36Å; Q481-F483 HydrophobicContact CB-CZ 3.7Å; Q481-F483 HydrophobicContact CG-CE2 4.45Å; Q481-F483 HydrophobicContact CG-CZ 4.4Å; Q481-L492 HydrophobicContact CB-CD1 3.81Å; Q481-L492 HydrophobicContact CG-CD1 4.24Å; Q481-I494 CarbonylContact C-O 3.17Å; Q481-I494 WeakPolarHBondContact CA-O 3.44Å; Q481-E495 HydrophobicContact CG-CB 4.18Å; Q481-E495 HydrophobicContact CG-CG 3.81Å; Q481-E495 PolarHBondContact NE2-OE1 3.32Å; Q481-I519 CarbonylContact O-C 3.22Å; Q481-I519 VanDerWaalsContact O-CA 3.26Å; Q481-I519 WeakPolarHBondContact O-CA 3.25Å; Q481-L520 HydrophobicContact CB-CB 4.4Å; Q481-L520 PolarHBondContact N-O 2.82Å; Q481-L520 PolarHBondContact O-N 3.45Å |
| 482 | L | 71.9 | Confident | 65 | Low | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 127.9 | 173.3 | 172 | 69.3 | 0 | 0 | 0 | 108.2 | V456 I493 I494 F518 I519 | V456-L482 HydrophobicContact CB-CD2 4.33Å; V456-L482 HydrophobicContact CG2-CD1 4.28Å; L482-I493 HydrophobicContact CB-CB 4.49Å; L482-I493 HydrophobicContact CD2-CB 4.16Å; L482-I493 HydrophobicContact CD2-CD1 4.16Å; L482-I493 HydrophobicContact CD2-CG2 4.08Å; L482-I493 HydrophobicContact CG-CB 4.11Å; L482-I493 HydrophobicContact CG-CD1 4.06Å; L482-I493 HydrophobicContact CG-CG1 4.45Å; L482-I493 WeakPolarHBondContact O-CA 3.48Å; L482-I493 WeakPolarHBondContact O-CB 3.21Å; L482-I493 PolarHBondContact O-N 3.06Å; L482-I494 HydrophobicContact CB-CG2 3.64Å; L482-I494 HydrophobicContact CD2-CG2 3.92Å; L482-I494 HydrophobicContact CG-CG2 4.37Å; L482-I494 PolarHBondContact N-O 3.26Å; L482-I494 PolarHBondContact O-N 3.06Å; L482-F518 CarbonylContact C-O 3.52Å; L482-F518 WeakPolarHBondContact CA-O 3.37Å; L482-I519 HydrophobicContact CB-CG1 4.46Å; L482-I519 HydrophobicContact CD1-CD1 4.11Å; L482-I519 HydrophobicContact CD1-CG1 3.4Å; L482-I519 VanDerWaalsContact CD1-CG1 3.4Å; L482-I519 HydrophobicContact CG-CG1 4.5Å |
| 483 | F | 68.3 | Low | 65.7 | Low | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143.8 | -176.2 | -58.9 | -94.2 | 0 | 0 | 0 | 111.1 | Q481 G485 I488 D490 P491 L492 Y517 F518 L520 | Q481-F483 HydrophobicContact CB-CD2 4.2Å; Q481-F483 HydrophobicContact CB-CE2 3.36Å; Q481-F483 HydrophobicContact CB-CZ 3.7Å; Q481-F483 HydrophobicContact CG-CE2 4.45Å; Q481-F483 HydrophobicContact CG-CZ 4.4Å; F483-G485 PolarHBondContact O-N 2.78Å; F483-I488 HydrophobicContact CE1-CG2 4.42Å; F483-I488 VanDerWaalsContact CE1-O 3.31Å; F483-I488 WeakPolarHBondContact CE1-O 3.3Å; F483-I488 HydrophobicContact CZ-CG2 4.13Å; F483-D490 WeakPolarHBondContact CD1-O 3.01Å; F483-P491 CarbonylContact C-O 3.47Å; F483-P491 WeakPolarHBondContact CA-O 3.42Å; F483-L492 HydrophobicContact CD1-CB 4.14Å; F483-L492 HydrophobicContact CD1-CD1 3.96Å; F483-L492 HydrophobicContact CE1-CB 4.15Å; F483-L492 HydrophobicContact CE1-CD1 3.68Å; F483-L492 HydrophobicContact CE1-CG 4.49Å; F483-L492 HydrophobicContact CE2-CD1 4.3Å; F483-L492 HydrophobicContact CG-CD1 4.4Å; F483-L492 HydrophobicContact CZ-CD1 3.87Å; F483-Y517 WeakPolarHBondContact O-CA 3.43Å; F483-Y517 WeakPolarHBondContact O-CD1 3.43Å; F483-F518 HydrophobicContact CB-CB 4.3Å; F483-F518 HydrophobicContact CB-CD1 4.2Å; F483-F518 AromaticContact CD2-CD1 3.42Å; F483-F518 HydrophobicContact CD2-CD1 3.42Å; F483-F518 VanDerWaalsContact CD2-CD1 3.42Å; F483-F518 AromaticContact CD2-CE1 3.87Å; F483-F518 HydrophobicContact CD2-CE1 3.87Å; F483-F518 HydrophobicContact CD2-CG 4.48Å; F483-F518 HydrophobicContact CE2-CD1 4.04Å; F483-F518 HydrophobicContact CE2-CE1 4.01Å; F483-F518 HydrophobicContact CG-CD1 4.06Å; F483-F518 PolarHBondContact N-O 2.94Å; F483-F518 PolarHBondContact O-N 2.82Å; F483-L520 HydrophobicContact CE2-CB 3.92Å |
| 484 | D | 67.3 | Low | 66.9 | Low | 32 Ų | 32 | 43.1 Ų | 43.1 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -86.2 | 71.5 | 172.8 | -177.3 | 13.8 | 0 | 0 | 0 | 111.1 | P491 I493 T512 Y517 | D484-P491 HydrophobicContact CB-CB 4.36Å; D484-P491 PolarHBondContact N-O 2.91Å; D484-I493 HydrophobicContact CB-CD1 3.82Å; D484-I493 HydrophobicContact CB-CG1 3.87Å; D484-T512 PolarHBondContact OD1-OG1 3.06Å; D484-T512 VanDerWaalsContact OD1-OG1 3.07Å; D484-T512 PolarHBondContact OD2-OG1 3.45Å; D484-Y517 HydrophobicContact CB-CD1 4.44Å; D484-Y517 HydrophobicContact CB-CE1 4Å; D484-Y517 WeakPolarHBondContact OD1-CE1 3.45Å; D484-Y517 PolarHBondContact OD1-OH 2.86Å |
| 485 | G | 66.6 | Low | 68.1 | Low | 4 Ų | 4 | 36.2 Ų | 36.2 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 160.4 | -163 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | F483 D490 E516 Y517 F518 | F483-G485 PolarHBondContact O-N 2.78Å; G485-D490 VanDerWaalsContact C-OD2 3.27Å; G485-D490 VanDerWaalsContact CA-OD2 3.25Å; G485-D490 WeakPolarHBondContact CA-OD2 3.42Å; G485-E516 WeakPolarHBondContact CA-O 3.43Å; G485-E516 PolarHBondContact N-O 2.52Å; G485-Y517 CarbonylContact O-C 3.54Å; G485-Y517 VanDerWaalsContact O-CA 3.31Å; G485-Y517 WeakPolarHBondContact O-CA 3.14Å; G485-F518 WeakPolarHBondContact O-CB 3.33Å; G485-F518 PolarHBondContact O-N 2.85Å; G485-F518 VanDerWaalsContact O-N 3.16Å |
| 486 | M | 59.6 | Low | 69 | Low | 70 Ų | 70 | 36 Ų | 36 | 35% | 0.345 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -98.1 | -15.1 | -176.7 | -71.7 | -166.3 | 68 | 0 | 0 | 113.9 | T445 I447 D490 E516 | T445-M486 HydrophobicContact CG2-CE 4.38Å; I447-M486 HydrophobicContact CD1-CE 4.33Å; M486-D490 PolarHBondContact N-OD2 3.18Å; M486-E516 HydrophobicContact CG-CB 3.88Å; M486-E516 HydrophobicContact CG-CG 4.19Å; M486-E516 WeakPolarHBondContact CG-OE2 3.36Å; M486-E516 HydrophobicContact SD-CG 4.44Å; M486-E516 VanDerWaalsContact SD-OE2 3.38Å |
| 487 | H | 58.9 | Low | 69.7 | Low | 114 Ų | 114 | 34 Ų | 34 | 53% | 0.528 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -124.3 | 166.4 | -168 | -61.4 | -74.5 | 0 | 0 | 0 | 112.1 | E489 D490 | H487-E489 VanDerWaalsContact C-N 3.26Å; H487-E489 WeakPolarHBondContact CB-OE2 3.4Å; H487-D490 PolarHBondContact N-OD2 2.8Å; H487-D490 WeakPolarHBondContact O-CB 3.4Å; H487-D490 PolarHBondContact O-N 3.27Å |
| 488 | I | 64.1 | Low | 69.9 | Low | 37 Ų | 37 | 33.9 Ų | 33.9 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -22.1 | -177.6 | -64.6 | 159 | 0 | 0 | 0 | 110.7 | M392 F483 F518 L520 | M392-I488 HydrophobicContact CE-CD1 3.53Å; F483-I488 HydrophobicContact CE1-CG2 4.42Å; F483-I488 VanDerWaalsContact CE1-O 3.31Å; F483-I488 WeakPolarHBondContact CE1-O 3.3Å; F483-I488 HydrophobicContact CZ-CG2 4.13Å; I488-F518 HydrophobicContact CG1-CD1 4.48Å; I488-F518 HydrophobicContact CG1-CE1 3.6Å; I488-F518 HydrophobicContact CG1-CZ 4.19Å; I488-L520 HydrophobicContact CD1-CD2 4.14Å; I488-L520 HydrophobicContact CG1-CD2 4.15Å |
| 489 | E | 71.9 | Confident | 69.6 | Low | 126 Ų | 126 | 37.2 Ų | 37.2 | 59% | 0.589 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -11.4 | 175.2 | -58.7 | 73.8 | -160.5 | 0 | 0 | 112.6 | H487 | H487-E489 VanDerWaalsContact C-N 3.26Å; H487-E489 WeakPolarHBondContact CB-OE2 3.4Å |
| 490 | D | 73.6 | Confident | 69.3 | Low | 44 Ų | 44 | 40.4 Ų | 40.4 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -70.6 | 162 | 177.1 | -73.6 | -44.5 | 0 | 0 | 0 | 111.6 | F483 G485 M486 H487 L492 | F483-D490 WeakPolarHBondContact CD1-O 3.01Å; G485-D490 VanDerWaalsContact C-OD2 3.27Å; G485-D490 VanDerWaalsContact CA-OD2 3.25Å; G485-D490 WeakPolarHBondContact CA-OD2 3.42Å; M486-D490 PolarHBondContact N-OD2 3.18Å; H487-D490 PolarHBondContact N-OD2 2.8Å; H487-D490 WeakPolarHBondContact O-CB 3.4Å; H487-D490 PolarHBondContact O-N 3.27Å; D490-L492 PolarHBondContact O-N 2.75Å; D490-L492 VanDerWaalsContact O-N 3.15Å |
| 491 | P | 76.7 | Confident | 69.1 | Low | 71 Ų | 71 | 44.4 Ų | 44.4 | 46% | 0.461 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -57.7 | 120.8 | -177.3 | -25 | 34.2 | 0 | 0 | 0 | 112.8 | F483 D484 I493 | F483-P491 CarbonylContact C-O 3.47Å; F483-P491 WeakPolarHBondContact CA-O 3.42Å; D484-P491 HydrophobicContact CB-CB 4.36Å; D484-P491 PolarHBondContact N-O 2.91Å; P491-I493 PolarHBondContact O-N 3.39Å |
| 492 | L | 72.2 | Confident | 68.8 | Low | 36 Ų | 36 | 47.3 Ų | 47.3 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 131.8 | 171.4 | -176.1 | 68.8 | 0 | 0 | 0 | 109.5 | Q481 F483 D490 E495 F503 | Q481-L492 HydrophobicContact CB-CD1 3.81Å; Q481-L492 HydrophobicContact CG-CD1 4.24Å; F483-L492 HydrophobicContact CD1-CB 4.14Å; F483-L492 HydrophobicContact CD1-CD1 3.96Å; F483-L492 HydrophobicContact CE1-CB 4.15Å; F483-L492 HydrophobicContact CE1-CD1 3.68Å; F483-L492 HydrophobicContact CE1-CG 4.49Å; F483-L492 HydrophobicContact CE2-CD1 4.3Å; F483-L492 HydrophobicContact CG-CD1 4.4Å; F483-L492 HydrophobicContact CZ-CD1 3.87Å; D490-L492 PolarHBondContact O-N 2.75Å; D490-L492 VanDerWaalsContact O-N 3.15Å; L492-E495 HydrophobicContact CD1-CB 4.42Å; L492-E495 HydrophobicContact CD2-CB 4.01Å; L492-F503 HydrophobicContact CB-CD1 4.24Å; L492-F503 HydrophobicContact CB-CE1 4.06Å; L492-F503 HydrophobicContact CD2-CB 3.92Å; L492-F503 HydrophobicContact CD2-CD1 3.51Å; L492-F503 HydrophobicContact CD2-CD2 4.33Å; L492-F503 HydrophobicContact CD2-CE1 4.11Å; L492-F503 HydrophobicContact CD2-CG 3.65Å; L492-F503 HydrophobicContact CG-CD1 3.63Å; L492-F503 HydrophobicContact CG-CE1 3.95Å; L492-F503 HydrophobicContact CG-CG 4.3Å; L492-F503 WeakPolarHBondContact O-CE1 3.47Å |
| 493 | I | 70.7 | Confident | 68.4 | Low | 23 Ų | 23 | 50.8 Ų | 50.8 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -52 | 176.1 | -58.3 | -176.8 | 0 | 0 | 0 | 109.7 | L482 D484 P491 N505 Y510 T512 Y517 | L482-I493 HydrophobicContact CB-CB 4.49Å; L482-I493 HydrophobicContact CD2-CB 4.16Å; L482-I493 HydrophobicContact CD2-CD1 4.16Å; L482-I493 HydrophobicContact CD2-CG2 4.08Å; L482-I493 HydrophobicContact CG-CB 4.11Å; L482-I493 HydrophobicContact CG-CD1 4.06Å; L482-I493 HydrophobicContact CG-CG1 4.45Å; L482-I493 WeakPolarHBondContact O-CA 3.48Å; L482-I493 WeakPolarHBondContact O-CB 3.21Å; L482-I493 PolarHBondContact O-N 3.06Å; D484-I493 HydrophobicContact CB-CD1 3.82Å; D484-I493 HydrophobicContact CB-CG1 3.87Å; P491-I493 PolarHBondContact O-N 3.39Å; I493-N505 PolarHBondContact O-N 2.64Å; I493-Y510 HydrophobicContact CG2-CD1 3.56Å; I493-Y510 HydrophobicContact CG2-CE1 4.19Å; I493-Y510 HydrophobicContact CG2-CG 4.17Å; I493-T512 HydrophobicContact CD1-CG2 4.36Å; I493-Y517 HydrophobicContact CD1-CD1 3.85Å; I493-Y517 HydrophobicContact CD1-CE1 4.04Å |
| 494 | I | 73 | Confident | 68.5 | Low | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 142.3 | 179.8 | -176.8 | 153.2 | 0 | 0 | 0 | 111.1 | F458 Q481 L482 Y496 I501 F503 Y510 | F458-I494 HydrophobicContact CE2-CG2 4.46Å; Q481-I494 CarbonylContact C-O 3.17Å; Q481-I494 WeakPolarHBondContact CA-O 3.44Å; L482-I494 HydrophobicContact CB-CG2 3.64Å; L482-I494 HydrophobicContact CD2-CG2 3.92Å; L482-I494 HydrophobicContact CG-CG2 4.37Å; L482-I494 PolarHBondContact N-O 3.26Å; L482-I494 PolarHBondContact O-N 3.06Å; I494-Y496 HydrophobicContact CD1-CD2 4.14Å; I494-Y496 HydrophobicContact CD1-CE1 4.36Å; I494-Y496 HydrophobicContact CD1-CE2 3.32Å; I494-Y496 VanDerWaalsContact CD1-CZ 3.45Å; I494-Y496 WeakPolarHBondContact CD1-OH 3.41Å; I494-Y496 HydrophobicContact CG1-CD2 3.92Å; I494-Y496 HydrophobicContact CG1-CE2 3.58Å; I494-Y496 HydrophobicContact CG2-CE2 4.43Å; I494-I501 HydrophobicContact CD1-CD1 4.47Å; I494-I501 HydrophobicContact CD1-CG1 4.46Å; I494-I501 HydrophobicContact CD1-CG2 4.43Å; I494-F503 WeakPolarHBondContact CA-O 3.4Å; I494-F503 WeakPolarHBondContact CG1-O 3.47Å; I494-Y510 WeakPolarHBondContact CD1-OH 3.09Å |
| 495 | E | 76.9 | Confident | 68 | Low | 31 Ų | 31 | 56.9 Ų | 56.9 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 122.9 | 169.1 | 177.6 | 168.8 | -150.7 | 0 | 0 | 109.8 | I480 Q481 L492 V502 F503 | I480-E495 CarbonylContact O-C 3.59Å; I480-E495 VanDerWaalsContact O-CA 3.3Å; I480-E495 WeakPolarHBondContact O-CA 3.3Å; Q481-E495 HydrophobicContact CG-CB 4.18Å; Q481-E495 HydrophobicContact CG-CG 3.81Å; Q481-E495 PolarHBondContact NE2-OE1 3.32Å; L492-E495 HydrophobicContact CD1-CB 4.42Å; L492-E495 HydrophobicContact CD2-CB 4.01Å; E495-V502 HydrophobicContact CG-CB 4.31Å; E495-V502 PolarHBondContact O-N 2.85Å; E495-F503 HydrophobicContact CB-CB 3.91Å; E495-F503 PolarHBondContact N-O 2.6Å; E495-F503 PolarHBondContact O-N 3.07Å |
| 496 | Y | 73.3 | Confident | 67.1 | Low | 34 Ų | 34 | 64.1 Ų | 64.1 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.6 | 164.4 | -66.9 | -89 | 0 | 0 | 0 | 108.6 | F458 L461 R479 I480 I494 K500 I501 | F458-Y496 AromaticContact CD2-CE2 4Å; F458-Y496 HydrophobicContact CD2-CE2 4Å; F458-Y496 AromaticContact CE2-CE2 3.75Å; F458-Y496 HydrophobicContact CE2-CE2 3.75Å; F458-Y496 HydrophobicContact CZ-CE2 4.17Å; L461-Y496 HydrophobicContact CD2-CD1 3.34Å; L461-Y496 HydrophobicContact CD2-CD2 3.52Å; L461-Y496 HydrophobicContact CD2-CE1 3.49Å; L461-Y496 VanDerWaalsContact CD2-CE1 3.49Å; L461-Y496 HydrophobicContact CD2-CE2 3.67Å; L461-Y496 HydrophobicContact CD2-CG 3.35Å; R479-Y496 CarbonylContact C-O 3.6Å; R479-Y496 WeakPolarHBondContact CA-O 3.46Å; R479-Y496 WeakPolarHBondContact CB-O 3.25Å; I480-Y496 PolarHBondContact N-O 3.35Å; I480-Y496 PolarHBondContact O-N 3.03Å; I494-Y496 HydrophobicContact CD1-CD2 4.14Å; I494-Y496 HydrophobicContact CD1-CE1 4.36Å; I494-Y496 HydrophobicContact CD1-CE2 3.32Å; I494-Y496 VanDerWaalsContact CD1-CZ 3.45Å; I494-Y496 WeakPolarHBondContact CD1-OH 3.41Å; I494-Y496 HydrophobicContact CG1-CD2 3.92Å; I494-Y496 HydrophobicContact CG1-CE2 3.58Å; I494-Y496 HydrophobicContact CG2-CE2 4.43Å; Y496-K500 CarbonylContact C-O 3.16Å; Y496-K500 WeakPolarHBondContact CA-O 3.5Å; Y496-I501 HydrophobicContact CD1-CG1 3.74Å; Y496-I501 HydrophobicContact CE1-CD1 3.98Å; Y496-I501 HydrophobicContact CE1-CG1 3.32Å |
| 497 | C | 70.7 | Confident | 66.3 | Low | 10 Ų | 10 | 68.3 Ų | 68.3 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 125.3 | 172.8 | -165.3 | 0 | 0 | 0 | 0 | 106.6 | C469 D478 R479 N499 K500 V502 | C469-C497 HydrophobicContact CB-CB 3.97Å; C469-C497 WeakPolarHBondContact CB-SG 3.2Å; C469-C497 WeakPolarHBondContact SG-CB 3.44Å; C469-C497 CovalentContact SG-SG 2.02Å; C469-C497 PolarHBondContact SG-SG 2.87Å; D478-C497 WeakPolarHBondContact O-CA 3.28Å; R479-C497 HydrophobicContact CB-CB 4.35Å; C497-N499 PolarHBondContact O-N 2.99Å; C497-N499 VanDerWaalsContact O-N 3.12Å; C497-K500 PolarHBondContact N-O 2.03Å; C497-K500 PolarHBondContact O-N 3.39Å; C497-V502 HydrophobicContact CB-CB 4.46Å; C497-V502 HydrophobicContact CB-CG2 3.38Å |
| 498 | E | 66.8 | Low | 65.5 | Low | 5 Ų | 5 | 72.7 Ų | 72.7 | 2% | 0.023 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 42.7 | 179.5 | -62.9 | 176.1 | 159.7 | 0 | 0 | 113 | G464 N465 S466 N467 S468 C469 D478 K500 | G464-E498 VanDerWaalsContact O-CG 3.26Å; G464-E498 WeakPolarHBondContact O-CG 3.46Å; N465-E498 HydrophobicContact CB-CB 4.47Å; S466-E498 VanDerWaalsContact C-OE1 3.28Å; S466-E498 VanDerWaalsContact CA-OE1 3.3Å; S466-E498 WeakPolarHBondContact CA-OE1 3Å; S466-E498 PolarHBondContact N-OE1 3.26Å; S466-E498 PolarHBondContact OG-OE1 3.15Å; N467-E498 WeakPolarHBondContact CA-OE2 3.17Å; N467-E498 PolarHBondContact N-OE1 3.21Å; N467-E498 PolarHBondContact N-OE2 2.86Å; S468-E498 PolarHBondContact N-OE1 2.93Å; S468-E498 PolarHBondContact N-OE2 3.27Å; C469-E498 HydrophobicContact CB-CG 4.47Å; C469-E498 PolarHBondContact N-OE2 3.42Å; C469-E498 WeakPolarHBondContact SG-CG 3.45Å; C469-E498 PolarHBondContact SG-OE2 2.9Å; C469-E498 VanDerWaalsContact SG-OE2 3.34Å; D478-E498 PolarHBondContact O-N 2.98Å; E498-K500 PolarHBondContact O-N 3.3Å; E498-K500 VanDerWaalsContact O-N 3.08Å |
| 499 | N | 59.7 | Low | 64.1 | Low | 72 Ų | 72 | 75.4 Ų | 75.4 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 3 | -176.4 | -60.5 | -27.8 | 0 | 0 | 0 | 117.2 | E462 L463 C497 | E462-N499 WeakPolarHBondContact CA-OD1 3.45Å; L463-N499 WeakPolarHBondContact CB-OD1 3.45Å; L463-N499 PolarHBondContact N-ND2 3.28Å; L463-N499 PolarHBondContact N-OD1 3.48Å; L463-N499 PolarHBondContact O-ND2 2.97Å; C497-N499 PolarHBondContact O-N 2.99Å; C497-N499 VanDerWaalsContact O-N 3.12Å |
| 500 | K | 64.2 | Low | 62.8 | Low | 95 Ų | 95 | 71.1 Ų | 71.1 | 41% | 0.413 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.2 | 172.7 | -62.1 | 172.7 | -176.3 | 166.6 | 0 | 108.7 | E470 Y496 C497 E498 V502 | E470-K500 IonicContact OE1-NZ 2.84Å; E470-K500 PolarHBondContact OE1-NZ 2.81Å; Y496-K500 CarbonylContact C-O 3.16Å; Y496-K500 WeakPolarHBondContact CA-O 3.5Å; C497-K500 PolarHBondContact N-O 2.03Å; C497-K500 PolarHBondContact O-N 3.39Å; E498-K500 PolarHBondContact O-N 3.3Å; E498-K500 VanDerWaalsContact O-N 3.08Å; K500-V502 PolarHBondContact O-N 3.47Å |
| 501 | I | 71.6 | Confident | 61.1 | Low | 94 Ų | 94 | 73 Ų | 73 | 48% | 0.482 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 109.5 | 165.6 | -63.5 | 172.2 | 0 | 0 | 0 | 106.3 | I494 Y496 F503 | I494-I501 HydrophobicContact CD1-CD1 4.47Å; I494-I501 HydrophobicContact CD1-CG1 4.46Å; I494-I501 HydrophobicContact CD1-CG2 4.43Å; Y496-I501 HydrophobicContact CD1-CG1 3.74Å; Y496-I501 HydrophobicContact CE1-CD1 3.98Å; Y496-I501 HydrophobicContact CE1-CG1 3.32Å; I501-F503 WeakPolarHBondContact CG2-O 3.5Å |
| 502 | V | 67.7 | Low | 59.2 | Low | 82 Ų | 82 | 70.3 Ų | 70.3 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -29.3 | 176.3 | -179.6 | 0 | 0 | 0 | 0 | 110.6 | E495 C497 K500 | E495-V502 HydrophobicContact CG-CB 4.31Å; E495-V502 PolarHBondContact O-N 2.85Å; C497-V502 HydrophobicContact CB-CB 4.46Å; C497-V502 HydrophobicContact CB-CG2 3.38Å; K500-V502 PolarHBondContact O-N 3.47Å |
| 503 | F | 62.4 | Low | 57.6 | Low | 77 Ų | 77 | 77.7 Ų | 77.7 | 34% | 0.338 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 135.6 | 178 | -178.5 | -86.4 | 0 | 0 | 0 | 110.5 | L492 I494 E495 I501 N505 | L492-F503 HydrophobicContact CB-CD1 4.24Å; L492-F503 HydrophobicContact CB-CE1 4.06Å; L492-F503 HydrophobicContact CD2-CB 3.92Å; L492-F503 HydrophobicContact CD2-CD1 3.51Å; L492-F503 HydrophobicContact CD2-CD2 4.33Å; L492-F503 HydrophobicContact CD2-CE1 4.11Å; L492-F503 HydrophobicContact CD2-CG 3.65Å; L492-F503 HydrophobicContact CG-CD1 3.63Å; L492-F503 HydrophobicContact CG-CE1 3.95Å; L492-F503 HydrophobicContact CG-CG 4.3Å; L492-F503 WeakPolarHBondContact O-CE1 3.47Å; I494-F503 WeakPolarHBondContact CA-O 3.4Å; I494-F503 WeakPolarHBondContact CG1-O 3.47Å; E495-F503 HydrophobicContact CB-CB 3.91Å; E495-F503 PolarHBondContact N-O 2.6Å; E495-F503 PolarHBondContact O-N 3.07Å; I501-F503 WeakPolarHBondContact CG2-O 3.5Å; F503-N505 HydrophobicContact CE1-CB 3.98Å; F503-N505 HydrophobicContact CZ-CB 4.17Å |
| 504 | S | 69.8 | Low | 56 | Low | 56 Ų | 56 | 81.3 Ų | 81.3 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 125.4 | 171.4 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | Q506 | S504-Q506 PolarHBondContact O-N 2.89Å |
| 505 | N | 58.2 | Low | 54.2 | Low | 112 Ų | 112 | 82.8 Ų | 82.8 | 60% | 0.599 | 41% | 0.411 | S | S | * | . | trans | -94.8 | 30.7 | -175.1 | -144.9 | 5 | 0 | 0 | 0 | 114.9 | I493 F503 | I493-N505 PolarHBondContact O-N 2.64Å; F503-N505 HydrophobicContact CE1-CB 3.98Å; F503-N505 HydrophobicContact CZ-CB 4.17Å | ||
| 506 | Q | 47.6 | Very low | 52 | Low | 157 Ų | 157 | 84.6 Ų | 84.6 | 73% | 0.734 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 95.2 | 144.1 | 175.1 | -52.1 | -177.4 | -2.1 | 0 | 0 | 118.9 | S504 | S504-Q506 PolarHBondContact O-N 2.89Š|
| 507 | Q | 42.4 | Very low | 50.7 | Low | 157 Ų | 157 | 83 Ų | 83 | 73% | 0.734 | 41% | 0.413 | S | S | * | . | trans | 57.3 | 129.3 | 169.9 | -62.2 | -169 | 4.7 | 0 | 0 | 119.5 | T509 | Q507-T509 PolarHBondContact O-N 3.42Š| ||
| 508 | K | 41.6 | Very low | 49.1 | Very low | 207 Ų | 207 | 82.7 Ų | 82.7 | 90% | 0.9 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -59.3 | 5 | -167.2 | -71.3 | 179.9 | 175 | 178.7 | 0 | 117 | ||
| 509 | T | 34.8 | Very low | 48 | Very low | 93 Ų | 93 | 82.7 Ų | 82.7 | 57% | 0.571 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -133.6 | 103.9 | 175.5 | 46.5 | 0 | 0 | 0 | 0 | 107.7 | Q507 T511 | Q507-T509 PolarHBondContact O-N 3.42Å; T509-T511 PolarHBondContact O-N 2.79Å; T509-T511 VanDerWaalsContact O-N 3.1Å |
| 510 | Y | 46.1 | Very low | 47.1 | Very low | 37 Ų | 37 | 79.9 Ų | 79.9 | 15% | 0.145 | 40% | 0.396 | C | S | . | . | trans | -76.8 | 100.1 | -177.8 | -52 | -72.6 | 0 | 0 | 0 | 108.8 | I493 I494 | I493-Y510 HydrophobicContact CG2-CD1 3.56Å; I493-Y510 HydrophobicContact CG2-CE1 4.19Å; I493-Y510 HydrophobicContact CG2-CG 4.17Å; I494-Y510 WeakPolarHBondContact CD1-OH 3.09Å | ||
| 511 | T | 36.3 | Very low | 46.2 | Very low | 83 Ų | 83 | 75.9 Ų | 75.9 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | trans | -112.3 | 135.8 | 172.5 | 54.1 | 0 | 0 | 0 | 0 | 107.9 | I453 T509 | I453-T511 HydrophobicContact CG2-CG2 4.11Å; T509-T511 PolarHBondContact O-N 2.79Å; T509-T511 VanDerWaalsContact O-N 3.1Å | ||
| 512 | T | 36.8 | Very low | 45 | Very low | 14 Ų | 14 | 73.9 Ų | 73.9 | 9% | 0.086 | 37% | 0.365 | C | S | . | . | trans | -151 | 141.7 | -168.2 | 174.9 | 0 | 0 | 0 | 0 | 108.5 | D484 I493 Y517 | D484-T512 PolarHBondContact OD1-OG1 3.06Å; D484-T512 VanDerWaalsContact OD1-OG1 3.07Å; D484-T512 PolarHBondContact OD2-OG1 3.45Å; I493-T512 HydrophobicContact CD1-CG2 4.36Å; T512-Y517 WeakPolarHBondContact CA-OH 3.04Å; T512-Y517 VanDerWaalsContact CB-CE1 3.46Å; T512-Y517 VanDerWaalsContact CB-CZ 3.44Å; T512-Y517 WeakPolarHBondContact CB-OH 3.02Å; T512-Y517 HydrophobicContact CG2-CD1 3.78Å; T512-Y517 HydrophobicContact CG2-CD2 4.38Å; T512-Y517 HydrophobicContact CG2-CE1 2.98Å; T512-Y517 HydrophobicContact CG2-CE2 3.67Å; T512-Y517 HydrophobicContact CG2-CG 4.44Å; T512-Y517 WeakPolarHBondContact CG2-OH 3.37Å; T512-Y517 PolarHBondContact O-OH 2.79Å; T512-Y517 WeakPolarHBondContact OG1-CE1 3.33Å; T512-Y517 PolarHBondContact OG1-OH 2.98Å | ||
| 513 | F | 38.3 | Very low | 43.4 | Very low | 192 Ų | 192 | 71.2 Ų | 71.2 | 84% | 0.842 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -92.6 | -8.3 | -159 | -67.6 | -82.9 | 0 | 0 | 0 | 113.2 | Y517 | F513-Y517 PolarHBondContact N-OH 3.49Š|
| 514 | K | 38.4 | Very low | 42.5 | Very low | 98 Ų | 98 | 71 Ų | 71 | 43% | 0.426 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -88.2 | 147.9 | 174.2 | -66.8 | -175.9 | -178 | 173.6 | 0 | 110.4 | E516 Y517 | K514-E516 PolarHBondContact O-N 2.9Å; K514-E516 VanDerWaalsContact O-N 3.13Å; K514-Y517 PolarHBondContact N-OH 3.01Å; K514-Y517 VanDerWaalsContact N-OH 3.13Å; K514-Y517 WeakPolarHBondContact O-CE2 3.35Å; K514-Y517 PolarHBondContact O-OH 3.1Å |
| 515 | P | 34.3 | Very low | 41 | Very low | 33 Ų | 33 | 71.7 Ų | 71.7 | 21% | 0.214 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -70.3 | -0.4 | 176.8 | 24.2 | -30 | 0 | 0 | 0 | 113.8 | I447 G448 | I447-P515 CarbonylContact C-O 3.55Å; G448-P515 WeakPolarHBondContact CA-O 3.29Å; G448-P515 PolarHBondContact N-O 3.2Å; G448-P515 VanDerWaalsContact O-CB 3.3Å; G448-P515 WeakPolarHBondContact O-CB 3.39Å |
| 516 | E | 31.1 | Very low | 40.1 | Very low | 68 Ų | 68 | 69.5 Ų | 69.5 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.9 | -164.6 | -66.9 | 164.6 | -179.1 | 0 | 0 | 112.3 | F446 I447 G485 M486 K514 | F446-E516 CarbonylContact O-C 3.17Å; F446-E516 VanDerWaalsContact O-CA 3.29Å; F446-E516 WeakPolarHBondContact O-CA 3.4Å; I447-E516 HydrophobicContact CG1-CG 4.34Å; I447-E516 HydrophobicContact CG2-CG 4.23Å; G485-E516 WeakPolarHBondContact CA-O 3.43Å; G485-E516 PolarHBondContact N-O 2.52Å; M486-E516 HydrophobicContact CG-CB 3.88Å; M486-E516 HydrophobicContact CG-CG 4.19Å; M486-E516 WeakPolarHBondContact CG-OE2 3.36Å; M486-E516 HydrophobicContact SD-CG 4.44Å; M486-E516 VanDerWaalsContact SD-OE2 3.38Å; K514-E516 PolarHBondContact O-N 2.9Å; K514-E516 VanDerWaalsContact O-N 3.13Å |
| 517 | Y | 45.1 | Very low | 39.6 | Very low | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 153.4 | 178.1 | -61.8 | -77.1 | 0 | 0 | 0 | 112.7 | T445 F446 I454 F483 D484 G485 I493 T512 F513 K514 | T445-Y517 CarbonylContact C-O 3.48Å; T445-Y517 WeakPolarHBondContact CA-O 3.26Å; F446-Y517 PolarHBondContact N-O 2.95Å; F446-Y517 PolarHBondContact O-N 3.47Å; I454-Y517 HydrophobicContact CB-CD2 3.59Å; I454-Y517 HydrophobicContact CB-CE2 3.91Å; I454-Y517 HydrophobicContact CD1-CD2 3.87Å; I454-Y517 HydrophobicContact CD1-CE2 4.36Å; I454-Y517 HydrophobicContact CG1-CD2 3.82Å; I454-Y517 HydrophobicContact CG1-CE2 3.99Å; I454-Y517 HydrophobicContact CG2-CD2 4.23Å; F483-Y517 WeakPolarHBondContact O-CA 3.43Å; F483-Y517 WeakPolarHBondContact O-CD1 3.43Å; D484-Y517 HydrophobicContact CB-CD1 4.44Å; D484-Y517 HydrophobicContact CB-CE1 4Å; D484-Y517 WeakPolarHBondContact OD1-CE1 3.45Å; D484-Y517 PolarHBondContact OD1-OH 2.86Å; G485-Y517 CarbonylContact O-C 3.54Å; G485-Y517 VanDerWaalsContact O-CA 3.31Å; G485-Y517 WeakPolarHBondContact O-CA 3.14Å; I493-Y517 HydrophobicContact CD1-CD1 3.85Å; I493-Y517 HydrophobicContact CD1-CE1 4.04Å; T512-Y517 WeakPolarHBondContact CA-OH 3.04Å; T512-Y517 VanDerWaalsContact CB-CE1 3.46Å; T512-Y517 VanDerWaalsContact CB-CZ 3.44Å; T512-Y517 WeakPolarHBondContact CB-OH 3.02Å; T512-Y517 HydrophobicContact CG2-CD1 3.78Å; T512-Y517 HydrophobicContact CG2-CD2 4.38Å; T512-Y517 HydrophobicContact CG2-CE1 2.98Å; T512-Y517 HydrophobicContact CG2-CE2 3.67Å; T512-Y517 HydrophobicContact CG2-CG 4.44Å; T512-Y517 WeakPolarHBondContact CG2-OH 3.37Å; T512-Y517 PolarHBondContact O-OH 2.79Å; T512-Y517 WeakPolarHBondContact OG1-CE1 3.33Å; T512-Y517 PolarHBondContact OG1-OH 2.98Å; F513-Y517 PolarHBondContact N-OH 3.49Å; K514-Y517 PolarHBondContact N-OH 3.01Å; K514-Y517 VanDerWaalsContact N-OH 3.13Å; K514-Y517 WeakPolarHBondContact O-CE2 3.35Å; K514-Y517 PolarHBondContact O-OH 3.1Å |
| 518 | F | 37 | Very low | 39.4 | Very low | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 124.1 | -175.6 | 172 | -110.3 | 0 | 0 | 0 | 110.7 | M443 Y444 L482 F483 G485 I488 L520 | M443-F518 HydrophobicContact CB-CE2 3.81Å; M443-F518 HydrophobicContact CB-CZ 4.29Å; M443-F518 HydrophobicContact CE-CE1 4.48Å; M443-F518 HydrophobicContact CE-CE2 3.45Å; M443-F518 VanDerWaalsContact CE-CE2 3.45Å; M443-F518 HydrophobicContact CE-CZ 3.31Å; M443-F518 HydrophobicContact CG-CE2 3.87Å; M443-F518 HydrophobicContact CG-CZ 3.84Å; M443-F518 HydrophobicContact SD-CE2 4.49Å; M443-F518 HydrophobicContact SD-CZ 4.37Å; Y444-F518 CarbonylContact O-C 3.45Å; Y444-F518 WeakPolarHBondContact O-CA 3.11Å; L482-F518 CarbonylContact C-O 3.52Å; L482-F518 WeakPolarHBondContact CA-O 3.37Å; F483-F518 HydrophobicContact CB-CB 4.3Å; F483-F518 HydrophobicContact CB-CD1 4.2Å; F483-F518 AromaticContact CD2-CD1 3.42Å; F483-F518 HydrophobicContact CD2-CD1 3.42Å; F483-F518 VanDerWaalsContact CD2-CD1 3.42Å; F483-F518 AromaticContact CD2-CE1 3.87Å; F483-F518 HydrophobicContact CD2-CE1 3.87Å; F483-F518 HydrophobicContact CD2-CG 4.48Å; F483-F518 HydrophobicContact CE2-CD1 4.04Å; F483-F518 HydrophobicContact CE2-CE1 4.01Å; F483-F518 HydrophobicContact CG-CD1 4.06Å; F483-F518 PolarHBondContact N-O 2.94Å; F483-F518 PolarHBondContact O-N 2.82Å; G485-F518 WeakPolarHBondContact O-CB 3.33Å; G485-F518 PolarHBondContact O-N 2.85Å; G485-F518 VanDerWaalsContact O-N 3.16Å; I488-F518 HydrophobicContact CG1-CD1 4.48Å; I488-F518 HydrophobicContact CG1-CE1 3.6Å; I488-F518 HydrophobicContact CG1-CZ 4.19Å; F518-L520 HydrophobicContact CE1-CB 3.59Å; F518-L520 HydrophobicContact CE1-CD2 4.46Å; F518-L520 HydrophobicContact CE1-CG 4.41Å; F518-L520 HydrophobicContact CZ-CB 3.73Å; F518-L520 HydrophobicContact CZ-CD1 4.01Å; F518-L520 HydrophobicContact CZ-CG 4.34Å |
| 519 | I | 45 | Very low | 39.3 | Very low | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.3 | 171.7 | -59.5 | 176.5 | 0 | 0 | 0 | 108.2 | I427 M443 Y444 F446 V456 I480 Q481 L482 | I427-I519 HydrophobicContact CD1-CD1 3.97Å; M443-I519 CarbonylContact C-O 3.58Å; M443-I519 WeakPolarHBondContact CA-O 3.4Å; Y444-I519 HydrophobicContact CD2-CB 4.45Å; Y444-I519 HydrophobicContact CD2-CG2 4.48Å; Y444-I519 PolarHBondContact N-O 3.42Å; Y444-I519 PolarHBondContact O-N 3.07Å; F446-I519 HydrophobicContact CE2-CD1 3.65Å; F446-I519 HydrophobicContact CE2-CG1 4.06Å; F446-I519 HydrophobicContact CZ-CD1 4.24Å; V456-I519 HydrophobicContact CG1-CD1 3.95Å; V456-I519 HydrophobicContact CG2-CD1 4.47Å; I480-I519 HydrophobicContact CG2-CG2 3.84Å; Q481-I519 CarbonylContact O-C 3.22Å; Q481-I519 VanDerWaalsContact O-CA 3.26Å; Q481-I519 WeakPolarHBondContact O-CA 3.25Å; L482-I519 HydrophobicContact CB-CG1 4.46Å; L482-I519 HydrophobicContact CD1-CD1 4.11Å; L482-I519 HydrophobicContact CD1-CG1 3.4Å; L482-I519 VanDerWaalsContact CD1-CG1 3.4Å; L482-I519 HydrophobicContact CG-CG1 4.5Å |
| 520 | L | 40.4 | Very low | 39.6 | Very low | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.2 | 170.1 | -177.2 | 63.9 | 0 | 0 | 0 | 109.4 | I441 M443 Q481 F483 I488 F518 | I441-L520 HydrophobicContact CG2-CD1 3.54Å; M443-L520 HydrophobicContact CG-CD1 3.48Å; M443-L520 VanDerWaalsContact CG-CD1 3.48Å; M443-L520 HydrophobicContact SD-CD1 4.26Å; Q481-L520 HydrophobicContact CB-CB 4.4Å; Q481-L520 PolarHBondContact N-O 2.82Å; Q481-L520 PolarHBondContact O-N 3.45Å; F483-L520 HydrophobicContact CE2-CB 3.92Å; I488-L520 HydrophobicContact CD1-CD2 4.14Å; I488-L520 HydrophobicContact CG1-CD2 4.15Å; F518-L520 HydrophobicContact CE1-CB 3.59Å; F518-L520 HydrophobicContact CE1-CD2 4.46Å; F518-L520 HydrophobicContact CE1-CG 4.41Å; F518-L520 HydrophobicContact CZ-CB 3.73Å; F518-L520 HydrophobicContact CZ-CD1 4.01Å; F518-L520 HydrophobicContact CZ-CG 4.34Å |
| 521 | Q | 45.3 | Very low | 39.1 | Very low | 11 Ų | 11 | 46.2 Ų | 46.2 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.5 | 167.7 | -178.7 | 170.1 | 19.6 | 0 | 0 | 108.2 | I441 A442 R479 I480 I523 | I441-Q521 CarbonylContact C-O 3.56Å; I441-Q521 VanDerWaalsContact CA-O 3.31Å; I441-Q521 WeakPolarHBondContact CA-O 3.41Å; A442-Q521 HydrophobicContact CB-CB 4.24Å; A442-Q521 PolarHBondContact N-O 2.87Å; A442-Q521 PolarHBondContact O-N 2.81Å; R479-Q521 CarbonylContact O-C 3.53Å; R479-Q521 VanDerWaalsContact O-CA 3.32Å; R479-Q521 WeakPolarHBondContact O-CA 3.25Å; I480-Q521 HydrophobicContact CG1-CB 4.21Å; I480-Q521 HydrophobicContact CG1-CG 3.92Å; Q521-I523 HydrophobicContact CG-CD1 3.8Å; Q521-I523 HydrophobicContact CG-CG1 3.95Å |
| 522 | R | 46.3 | Very low | 39.4 | Very low | 53 Ų | 53 | 43.1 Ų | 43.1 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 108 | 174.8 | -168.5 | 179.3 | -170.1 | 174.1 | 1.5 | 106.7 | F400 I441 R479 | F400-R522 VanDerWaalsContact CZ-NH2 3.28Å; I441-R522 HydrophobicContact CD1-CG 4.46Å; I441-R522 HydrophobicContact CG1-CG 4.23Å; R479-R522 HydrophobicContact CG-CB 3.9Å; R479-R522 PolarHBondContact N-O 3.01Å; R479-R522 VanDerWaalsContact NH2-NH1 3.13Å; R479-R522 PolarHBondContact O-N 3.48Å |
| 523 | I | 34.3 | Very low | 39.6 | Very low | 26 Ų | 26 | 45.7 Ų | 45.7 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | trans | -102.8 | 0 | 175.2 | -69.2 | 152.5 | 0 | 0 | 0 | 106.8 | Y436 S439 I440 D478 Q521 | Y436-I523 HydrophobicContact CD1-CD1 3.38Å; Y436-I523 HydrophobicContact CD1-CG1 4.12Å; Y436-I523 HydrophobicContact CD2-CB 4.21Å; Y436-I523 HydrophobicContact CD2-CD1 3.5Å; Y436-I523 HydrophobicContact CD2-CG1 3.9Å; Y436-I523 HydrophobicContact CD2-CG2 3.4Å; Y436-I523 VanDerWaalsContact CD2-CG2 3.4Å; Y436-I523 HydrophobicContact CE1-CD1 3.66Å; Y436-I523 HydrophobicContact CE1-CG1 3.88Å; Y436-I523 HydrophobicContact CE2-CB 4.02Å; Y436-I523 HydrophobicContact CE2-CD1 3.8Å; Y436-I523 HydrophobicContact CE2-CG1 3.67Å; Y436-I523 HydrophobicContact CE2-CG2 3.14Å; Y436-I523 HydrophobicContact CG-CD1 3.33Å; Y436-I523 HydrophobicContact CG-CG1 4.16Å; Y436-I523 HydrophobicContact CG-CG2 4.41Å; S439-I523 CarbonylContact C-O 3.56Å; S439-I523 WeakPolarHBondContact CA-O 3.25Å; S439-I523 PolarHBondContact N-O 3.36Å; I440-I523 HydrophobicContact CG2-CB 3.78Å; I440-I523 HydrophobicContact CG2-CD1 3.37Å; I440-I523 HydrophobicContact CG2-CG1 4.19Å; I440-I523 HydrophobicContact CG2-CG2 4.12Å; I440-I523 PolarHBondContact N-O 3.29Å; I440-I523 WeakPolarHBondContact O-CB 3.29Å; I440-I523 PolarHBondContact O-N 2.8Å; D478-I523 WeakPolarHBondContact OD1-CA 3.26Å; Q521-I523 HydrophobicContact CG-CD1 3.8Å; Q521-I523 HydrophobicContact CG-CG1 3.95Å |
Retrieved 523 of 523 residues in 246.8 ms
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