| 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 | 30.6 | Very low | 76.5 | Confident | 224 Ų | 224 | 69.6 Ų | 69.6 | 100% | 1.103 | 41% | 0.406 | S | S | * | . | 0 | 117.5 | 0 | -71.7 | 178.8 | -114.9 | 0 | 0 | 105.2 | E3 | M1-E3 PolarHBondContact O-N 2.88Š| |||
| 2 | A | 38 | Very low | 78.2 | Confident | 87 Ų | 87 | 71.8 Ų | 71.8 | 72% | 0.719 | 41% | 0.41 | S | S | * | . | trans | -65.2 | 131.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | T4 | A2-T4 WeakPolarHBondContact O-CG2 3.42Å; A2-T4 PolarHBondContact O-N 3.39Å | ||
| 3 | E | 50.3 | Low | 79.5 | Confident | 173 Ų | 173 | 80.5 Ų | 80.5 | 81% | 0.808 | 44% | 0.444 | S | S | * | . | trans | -59.4 | 108.1 | 169.4 | -74.9 | 171 | 163.9 | 0 | 0 | 107.3 | M1 G5 | M1-E3 PolarHBondContact O-N 2.88Å; E3-G5 PolarHBondContact O-N 2.87Å; E3-G5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | T | 62.3 | Low | 80.3 | Confident | 139 Ų | 139 | 76.7 Ų | 76.7 | 85% | 0.853 | 43% | 0.429 | S | S | * | . | trans | -82.7 | 31.4 | -173.2 | 48.8 | 0 | 0 | 0 | 0 | 112.5 | A2 | A2-T4 WeakPolarHBondContact O-CG2 3.42Å; A2-T4 PolarHBondContact O-N 3.39Å | ||
| 5 | G | 82.6 | Confident | 80.9 | Confident | 37 Ų | 37 | 80 Ų | 80 | 38% | 0.381 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -142.7 | 159.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E3 | E3-G5 PolarHBondContact O-N 2.87Å; E3-G5 VanDerWaalsContact O-N 3.08Å |
| 6 | V | 92.5 | Very high | 81.3 | Confident | 20 Ų | 20 | 81 Ų | 81 | 12% | 0.121 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 135.2 | 170.3 | -178 | 0 | 0 | 0 | 0 | 107.7 | L8 E198 R260 F262 | V6-L8 HydrophobicContact CG1-CD2 4.04Å; V6-E198 HydrophobicContact CB-CB 4.07Å; V6-E198 WeakPolarHBondContact CB-OE2 3.48Å; V6-E198 WeakPolarHBondContact O-CB 3.39Å; V6-E198 PolarHBondContact O-N 3.37Å; V6-R260 HydrophobicContact CG1-CB 4.06Å; V6-F262 HydrophobicContact CG1-CB 4.47Å; V6-F262 HydrophobicContact CG2-CB 4.12Å; V6-F262 HydrophobicContact CG2-CD1 4.03Å; V6-F262 HydrophobicContact CG2-CD2 4.36Å; V6-F262 HydrophobicContact CG2-CG 3.93Å |
| 7 | A | 95.8 | Very high | 81.5 | Confident | 18 Ų | 18 | 80.1 Ų | 80.1 | 15% | 0.149 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E196 R260 Y261 | A7-E196 CarbonylContact C-O 3.49Å; A7-E196 VanDerWaalsContact CA-O 3.28Å; A7-E196 WeakPolarHBondContact CA-O 3.44Å; A7-R260 CarbonylContact O-C 3.44Å; A7-R260 WeakPolarHBondContact O-CA 3.25Å; A7-Y261 PolarHBondContact N-O 2.75Å; A7-Y261 PolarHBondContact O-N 3.31Å |
| 8 | L | 97.2 | Very high | 81.9 | Confident | 5 Ų | 5 | 79.1 Ų | 79.1 | 3% | 0.026 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 139.5 | 175.3 | -50.8 | -174.1 | 0 | 0 | 0 | 108.7 | V6 F10 T195 E196 E198 E254 Q257 L259 R260 | V6-L8 HydrophobicContact CG1-CD2 4.04Å; L8-F10 HydrophobicContact CB-CE2 3.76Å; L8-F10 HydrophobicContact CB-CZ 3.88Å; L8-F10 HydrophobicContact CD1-CZ 4.29Å; L8-T195 CarbonylContact O-C 3.57Å; L8-T195 WeakPolarHBondContact O-CA 3.38Å; L8-E196 PolarHBondContact N-O 3.47Å; L8-E196 PolarHBondContact O-N 2.63Å; L8-E198 HydrophobicContact CD1-CB 4.23Å; L8-E198 HydrophobicContact CD1-CG 4.25Å; L8-E198 HydrophobicContact CD2-CB 4.07Å; L8-E198 HydrophobicContact CD2-CG 4.33Å; L8-E198 HydrophobicContact CG-CB 3.95Å; L8-E198 HydrophobicContact CG-CG 4.41Å; L8-E254 HydrophobicContact CD1-CB 3.9Å; L8-E254 HydrophobicContact CD1-CG 3.83Å; L8-Q257 HydrophobicContact CB-CB 4.49Å; L8-L259 CarbonylContact C-O 3.49Å; L8-L259 WeakPolarHBondContact CA-O 3.4Å; L8-R260 HydrophobicContact CD2-CG 3.9Å |
| 9 | G | 97.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V194 Q257 V258 L259 | G9-V194 CarbonylContact C-O 3.5Å; G9-V194 WeakPolarHBondContact CA-O 3.3Å; G9-Q257 CarbonylContact O-C 3.08Å; G9-Q257 WeakPolarHBondContact O-CA 3.44Å; G9-V258 WeakPolarHBondContact O-CG2 3.34Å; G9-V258 PolarHBondContact O-N 2.73Å; G9-L259 PolarHBondContact N-O 2.99Å; G9-L259 PolarHBondContact O-N 2.96Å |
| 10 | F | 97.6 | Very high | 82.9 | Confident | 27 Ų | 27 | 74.3 Ų | 74.3 | 12% | 0.118 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 157.7 | -178.9 | -55.9 | -83.1 | 0 | 0 | 0 | 110.2 | L8 L193 V194 E196 E254 Q257 | L8-F10 HydrophobicContact CB-CE2 3.76Å; L8-F10 HydrophobicContact CB-CZ 3.88Å; L8-F10 HydrophobicContact CD1-CZ 4.29Å; F10-L193 WeakPolarHBondContact O-CA 3.48Å; F10-V194 PolarHBondContact N-O 3.38Å; F10-V194 PolarHBondContact O-N 3.48Å; F10-E196 HydrophobicContact CD2-CG 4.38Å; F10-E196 HydrophobicContact CE2-CB 4.24Å; F10-E196 HydrophobicContact CE2-CG 4.38Å; F10-E254 HydrophobicContact CE1-CB 4.35Å; F10-E254 HydrophobicContact CZ-CB 4.25Å; F10-E254 HydrophobicContact CZ-CG 4.29Å; F10-Q257 HydrophobicContact CE1-CB 4.09Å; F10-Q257 HydrophobicContact CZ-CB 4.49Å |
| 11 | L | 97.5 | Very high | 83.3 | Confident | 36 Ų | 36 | 71.9 Ų | 71.9 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 131.7 | -178.8 | -60.9 | -178.9 | 0 | 0 | 0 | 111.5 | V28 L191 E192 L193 V258 L300 D303 | L11-V28 HydrophobicContact CD1-CG2 4.49Å; L11-V28 HydrophobicContact CD2-CB 4.05Å; L11-V28 HydrophobicContact CD2-CG2 3.54Å; L11-L191 HydrophobicContact CB-CB 4.39Å; L11-L191 HydrophobicContact CB-CD1 4.21Å; L11-L191 HydrophobicContact CD1-CD1 3.97Å; L11-L191 HydrophobicContact CD2-CB 4.44Å; L11-E192 WeakPolarHBondContact CA-O 3.49Å; L11-L193 HydrophobicContact CD2-CB 4.42Å; L11-L193 HydrophobicContact CD2-CD1 3.98Å; L11-V258 HydrophobicContact CD1-CG1 4.04Å; L11-V258 HydrophobicContact CD1-CG2 4.44Å; L11-V258 HydrophobicContact CD2-CG2 3.84Å; L11-V258 HydrophobicContact CG-CB 4.48Å; L11-V258 HydrophobicContact CG-CG1 4.05Å; L11-V258 HydrophobicContact CG-CG2 3.79Å; L11-L300 HydrophobicContact CD1-CD1 3.87Å; L11-D303 HydrophobicContact CD1-CB 3.61Å |
| 12 | E | 96.3 | Very high | 86 | Confident | 96 Ų | 96 | 63 Ų | 63 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 155.4 | 177.3 | -63.3 | -170.9 | -179.9 | 0 | 0 | 111.1 | E192 V194 | E12-E192 PolarHBondContact N-O 2.87Å; E12-E192 PolarHBondContact O-N 2.84Å; E12-V194 HydrophobicContact CB-CG2 4.33Å; E12-V194 HydrophobicContact CG-CG2 4.09Å |
| 13 | E | 95.2 | Very high | 88.6 | Confident | 184 Ų | 184 | 61 Ų | 61 | 86% | 0.86 | 32% | 0.318 | S | S | * | . | trans | -74 | 134.5 | 170 | -65.8 | -170.9 | 170.1 | 0 | 0 | 109.5 | L191 | E13-L191 HydrophobicContact CG-CD2 4.34Š| ||
| 14 | A | 90.8 | Very high | 90.6 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 23% | 0.231 | 29% | 0.286 | C | S | . | . | trans | -136.8 | 153.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q18 L19 E192 | A14-Q18 HydrophobicContact CB-CB 4.44Å; A14-L19 HydrophobicContact CB-CD1 4.19Å; A14-L19 HydrophobicContact CB-CD2 4.07Å; A14-L19 HydrophobicContact CB-CG 4.09Å; A14-E192 HydrophobicContact CB-CB 3.75Å | ||
| 15 | E | 89.4 | Confident | 92.2 | Very high | 126 Ų | 126 | 48 Ų | 48 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | trans | -70.4 | 147.6 | 174.8 | -60.4 | -165.3 | 145.1 | 0 | 0 | 110.5 | W17 Q18 | E15-W17 PolarHBondContact O-N 3.38Å; E15-W17 PolarHBondContact OE2-NE1 3.4Å; E15-Q18 HydrophobicContact CB-CG 4.41Å; E15-Q18 WeakPolarHBondContact O-CB 3.48Å; E15-Q18 PolarHBondContact O-N 3.2Å | ||
| 16 | N | 86.9 | Confident | 93 | Very high | 96 Ų | 96 | 47.3 Ų | 47.3 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.3 | -171.6 | -174.9 | -103.4 | 0 | 0 | 0 | 113.6 | Q18 L19 Q20 E190 | N16-Q18 VanDerWaalsContact C-N 3.33Å; N16-L19 PolarHBondContact O-N 2.91Å; N16-Q20 WeakPolarHBondContact O-CG 3.42Å; N16-Q20 PolarHBondContact O-NE2 3.05Å; N16-Q20 PolarHBondContact OD1-NE2 3.28Å; N16-E190 PolarHBondContact ND2-OE2 3.11Å |
| 17 | W | 85.2 | Confident | 93.2 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -29.9 | 178.9 | 68.6 | -93.2 | 0 | 0 | 0 | 112.7 | E15 L19 Q20 Q23 | E15-W17 PolarHBondContact O-N 3.38Å; E15-W17 PolarHBondContact OE2-NE1 3.4Å; W17-L19 PolarHBondContact O-N 2.77Å; W17-Q20 WeakPolarHBondContact O-CB 3.24Å; W17-Q20 WeakPolarHBondContact O-CG 3.15Å; W17-Q20 PolarHBondContact O-N 3.4Å; W17-Q23 WeakPolarHBondContact O-CG 3.38Å |
| 18 | Q | 89.3 | Confident | 93.3 | Very high | 62 Ų | 62 | 45.6 Ų | 45.6 | 29% | 0.29 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -26.2 | 176.3 | -60.9 | 176 | -76.2 | 0 | 0 | 111.4 | A14 E15 N16 Q23 | A14-Q18 HydrophobicContact CB-CB 4.44Å; E15-Q18 HydrophobicContact CB-CG 4.41Å; E15-Q18 WeakPolarHBondContact O-CB 3.48Å; E15-Q18 PolarHBondContact O-N 3.2Å; N16-Q18 VanDerWaalsContact C-N 3.33Å; Q18-Q23 WeakPolarHBondContact O-CB 3.47Å |
| 19 | L | 92.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 16.3 | -175.5 | -56.7 | -176.7 | 0 | 0 | 0 | 113.9 | A14 N16 W17 P25 K27 E190 E192 | A14-L19 HydrophobicContact CB-CD1 4.19Å; A14-L19 HydrophobicContact CB-CD2 4.07Å; A14-L19 HydrophobicContact CB-CG 4.09Å; N16-L19 PolarHBondContact O-N 2.91Å; W17-L19 PolarHBondContact O-N 2.77Å; L19-P25 HydrophobicContact CD2-CB 4.15Å; L19-K27 HydrophobicContact CB-CD 4.21Å; L19-K27 HydrophobicContact CD2-CB 4.11Å; L19-K27 PolarHBondContact O-NZ 3.13Å; L19-K27 VanDerWaalsContact O-NZ 3.15Å; L19-E190 HydrophobicContact CD1-CG 3.59Å; L19-E192 HydrophobicContact CD2-CB 4.02Å; L19-E192 HydrophobicContact CD2-CG 4.36Å |
| 20 | Q | 90.3 | Very high | 93.1 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 29% | 0.285 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -89.9 | 156.4 | 178.4 | -59.9 | -58 | -47.4 | 0 | 0 | 112.4 | N16 W17 H22 Q23 P25 | N16-Q20 WeakPolarHBondContact O-CG 3.42Å; N16-Q20 PolarHBondContact O-NE2 3.05Å; N16-Q20 PolarHBondContact OD1-NE2 3.28Å; W17-Q20 WeakPolarHBondContact O-CB 3.24Å; W17-Q20 WeakPolarHBondContact O-CG 3.15Å; W17-Q20 PolarHBondContact O-N 3.4Å; Q20-H22 VanDerWaalsContact CB-CE1 3.46Å; Q20-H22 WeakPolarHBondContact CB-CE1 3.37Å; Q20-H22 WeakPolarHBondContact CB-ND1 3.13Å; Q20-H22 PolarHBondContact O-N 2.81Å; Q20-Q23 PolarHBondContact O-N 2.85Å; Q20-P25 VanDerWaalsContact O-CD 3.25Å; Q20-P25 WeakPolarHBondContact O-CD 3.32Å |
| 21 | S | 91.9 | Very high | 93 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 16% | 0.161 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25.7 | -176.6 | -60.1 | 0 | 0 | 0 | 0 | 115.9 | Q23 A33 W34 Y109 | S21-Q23 VanDerWaalsContact C-N 3.33Å; S21-A33 VanDerWaalsContact OG-CA 3.31Å; S21-A33 WeakPolarHBondContact OG-CA 3.17Å; S21-W34 VanDerWaalsContact CB-O 3.24Å; S21-W34 WeakPolarHBondContact CB-O 3.44Å; S21-W34 PolarHBondContact OG-N 3.48Å; S21-W34 VanDerWaalsContact OG-N 3.14Å; S21-W34 PolarHBondContact OG-O 3.49Å; S21-Y109 WeakPolarHBondContact CB-OH 3.25Å; S21-Y109 WeakPolarHBondContact O-CE1 3.27Å; S21-Y109 PolarHBondContact O-OH 2.99Å |
| 22 | H | 88.1 | Confident | 93 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 18% | 0.176 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -14.4 | -179.6 | 66 | -90 | 0 | 0 | 0 | 113.8 | Q20 F24 Y109 | Q20-H22 VanDerWaalsContact CB-CE1 3.46Å; Q20-H22 WeakPolarHBondContact CB-CE1 3.37Å; Q20-H22 WeakPolarHBondContact CB-ND1 3.13Å; Q20-H22 PolarHBondContact O-N 2.81Å; H22-F24 WeakPolarHBondContact O-CD2 3.17Å; H22-F24 WeakPolarHBondContact O-CE2 3.14Å; H22-Y109 HydrophobicContact CB-CD1 4.27Å; H22-Y109 HydrophobicContact CB-CE1 4.18Å |
| 23 | Q | 90.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -92.4 | -4.8 | 174.2 | -60.1 | -61.8 | -15.8 | 0 | 0 | 112.3 | W17 Q18 Q20 S21 | W17-Q23 WeakPolarHBondContact O-CG 3.38Å; Q18-Q23 WeakPolarHBondContact O-CB 3.47Å; Q20-Q23 PolarHBondContact O-N 2.85Å; S21-Q23 VanDerWaalsContact C-N 3.33Å |
| 24 | F | 93.9 | Very high | 93 | Very high | 33 Ų | 33 | 33.5 Ų | 33.5 | 15% | 0.145 | 17% | 0.168 | C | C | . | . | trans | 51.6 | 50.8 | -179.5 | -49.8 | -80 | 0 | 0 | 0 | 114 | H22 L35 Y62 H73 Y109 | H22-F24 WeakPolarHBondContact O-CD2 3.17Å; H22-F24 WeakPolarHBondContact O-CE2 3.14Å; F24-L35 HydrophobicContact CD1-CD1 3.63Å; F24-L35 HydrophobicContact CE1-CD1 3.68Å; F24-Y62 HydrophobicContact CB-CD2 3.83Å; F24-Y62 HydrophobicContact CB-CE1 4.49Å; F24-Y62 HydrophobicContact CB-CE2 3.77Å; F24-Y62 HydrophobicContact CB-CG 4.21Å; F24-Y62 HydrophobicContact CD1-CE2 4.19Å; F24-Y62 HydrophobicContact CG-CE2 4.19Å; F24-Y62 WeakPolarHBondContact O-CB 2.88Å; F24-H73 AromaticContact CD1-ND1 3.65Å; F24-H73 HydrophobicContact CE1-CB 4.39Å; F24-H73 AromaticContact CE1-CE1 3.7Å; F24-H73 AromaticContact CE1-CG 3.78Å; F24-H73 AromaticContact CE1-ND1 3.46Å; F24-H73 WeakPolarHBondContact CE1-ND1 3.33Å; F24-H73 AromaticContact CE2-CE1 3.67Å; F24-H73 AromaticContact CZ-CE1 3.41Å; F24-H73 VanDerWaalsContact CZ-CE1 3.41Å; F24-H73 WeakPolarHBondContact CZ-CE1 3.37Å; F24-H73 AromaticContact CZ-ND1 3.69Å; F24-H73 AromaticContact CZ-NE2 3.84Å; F24-Y109 HydrophobicContact CE1-CD1 4.09Å; F24-Y109 AromaticContact CE1-CD2 3.67Å; F24-Y109 HydrophobicContact CE1-CD2 3.67Å; F24-Y109 HydrophobicContact CE1-CE1 4.08Å; F24-Y109 AromaticContact CE1-CE2 3.66Å; F24-Y109 HydrophobicContact CE1-CE2 3.66Å; F24-Y109 AromaticContact CE1-CG 3.86Å; F24-Y109 HydrophobicContact CE1-CG 3.86Å; F24-Y109 AromaticContact CE1-CZ 3.83Å; F24-Y109 AromaticContact CZ-CD1 3.76Å; F24-Y109 HydrophobicContact CZ-CD1 3.76Å; F24-Y109 AromaticContact CZ-CD2 3.82Å; F24-Y109 HydrophobicContact CZ-CD2 3.82Å; F24-Y109 HydrophobicContact CZ-CE1 4.17Å; F24-Y109 HydrophobicContact CZ-CE2 4.22Å; F24-Y109 AromaticContact CZ-CG 3.54Å; F24-Y109 HydrophobicContact CZ-CG 3.54Å | ||
| 25 | P | 95.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | trans | -71.9 | 147.8 | -168.4 | 31.2 | -38 | 0 | 0 | 0 | 112.3 | L19 Q20 K27 A33 Q60 | L19-P25 HydrophobicContact CD2-CB 4.15Å; Q20-P25 VanDerWaalsContact O-CD 3.25Å; Q20-P25 WeakPolarHBondContact O-CD 3.32Å; P25-K27 HydrophobicContact CB-CB 4.49Å; P25-K27 HydrophobicContact CB-CD 4.22Å; P25-K27 HydrophobicContact CB-CG 4.37Å; P25-K27 HydrophobicContact CG-CD 3.81Å; P25-K27 HydrophobicContact CG-CG 4.32Å; P25-A33 HydrophobicContact CG-CB 3.77Å; P25-Q60 PolarHBondContact O-NE2 3.38Å | ||
| 26 | S | 98.3 | Very high | 93.3 | Very high | 21 Ų | 21 | 26.2 Ų | 26.2 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | trans | -88.9 | 126.2 | 150.1 | -70 | 0 | 0 | 0 | 0 | 107.4 | Q60 Y62 L193 | S26-Q60 CarbonylContact C-O 3.55Å; S26-Q60 WeakPolarHBondContact CA-O 3.22Å; S26-Y62 PolarHBondContact OG-N 3.38Å; S26-L193 VanDerWaalsContact CB-O 3.25Å; S26-L193 WeakPolarHBondContact CB-O 3.47Å; S26-L193 PolarHBondContact O-N 3.01Å | ||
| 27 | K | 98.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.009 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 158.6 | -172.8 | 60.3 | -179.2 | -72.2 | -167.3 | 0 | 113.2 | L19 P25 G29 K31 A33 F57 M59 Q60 E190 L191 | L19-K27 HydrophobicContact CB-CD 4.21Å; L19-K27 HydrophobicContact CD2-CB 4.11Å; L19-K27 PolarHBondContact O-NZ 3.13Å; L19-K27 VanDerWaalsContact O-NZ 3.15Å; P25-K27 HydrophobicContact CB-CB 4.49Å; P25-K27 HydrophobicContact CB-CD 4.22Å; P25-K27 HydrophobicContact CB-CG 4.37Å; P25-K27 HydrophobicContact CG-CD 3.81Å; P25-K27 HydrophobicContact CG-CG 4.32Å; K27-G29 WeakPolarHBondContact CE-O 3.46Å; K27-K31 PolarHBondContact NZ-O 2.81Å; K27-A33 HydrophobicContact CD-CB 4.33Å; K27-F57 HydrophobicContact CG-CE1 4.47Å; K27-M59 CarbonylContact O-C 3.58Å; K27-M59 WeakPolarHBondContact O-CA 3.3Å; K27-M59 WeakPolarHBondContact O-CB 3.2Å; K27-Q60 HydrophobicContact CD-CG 4.36Å; K27-Q60 HydrophobicContact CG-CG 3.59Å; K27-Q60 PolarHBondContact N-O 3.04Å; K27-Q60 PolarHBondContact O-N 2.84Å; K27-E190 WeakPolarHBondContact CE-OE1 3.45Å; K27-E190 IonicContact NZ-OE1 3.96Å; K27-E190 PolarHBondContact NZ-OE1 2.8Å; K27-L191 CarbonylContact C-O 3.53Å; K27-L191 VanDerWaalsContact CA-O 3.28Å; K27-L191 WeakPolarHBondContact CA-O 3.49Å; K27-L191 VanDerWaalsContact CB-O 3.28Å; K27-L191 WeakPolarHBondContact CB-O 3.49Å |
| 28 | V | 97.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.8 | 169.6 | 169.6 | 0 | 0 | 0 | 0 | 109.5 | L11 M59 E190 L191 L300 L304 | L11-V28 HydrophobicContact CD1-CG2 4.49Å; L11-V28 HydrophobicContact CD2-CB 4.05Å; L11-V28 HydrophobicContact CD2-CG2 3.54Å; V28-M59 HydrophobicContact CG2-CB 3.91Å; V28-M59 HydrophobicContact CG2-CE 4.14Å; V28-E190 WeakPolarHBondContact O-CA 3.32Å; V28-L191 PolarHBondContact N-O 2.9Å; V28-L191 PolarHBondContact O-N 2.79Å; V28-L300 HydrophobicContact CB-CD1 4.44Å; V28-L300 HydrophobicContact CG1-CD1 3.85Å; V28-L300 HydrophobicContact CG2-CD1 3.79Å; V28-L304 HydrophobicContact CG1-CD2 3.87Å |
| 29 | G | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 60.3 | -162.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K27 F57 L58 P189 | K27-G29 WeakPolarHBondContact CE-O 3.46Å; G29-F57 VanDerWaalsContact O-CD1 3.24Å; G29-F57 WeakPolarHBondContact O-CD1 3.17Å; G29-F57 WeakPolarHBondContact O-CE1 3.36Å; G29-L58 PolarHBondContact N-O 2.89Å; G29-P189 VanDerWaalsContact CA-O 3.32Å; G29-P189 WeakPolarHBondContact CA-O 3.44Å |
| 30 | G | 94.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 62.1 | -148.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L187 F188 | G30-L187 WeakPolarHBondContact O-CD2 3.17Å; G30-F188 PolarHBondContact N-O 3.09Å |
| 31 | K | 95.5 | Very high | 93.9 | Very high | 70 Ų | 70 | 22 Ų | 22 | 30% | 0.304 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -94.4 | 148.4 | 175.3 | -67.7 | 177.2 | -179.9 | 173.9 | 0 | 110.3 | K27 A33 K137 L187 | K27-K31 PolarHBondContact NZ-O 2.81Å; K31-A33 PolarHBondContact O-N 2.99Å; K31-K137 VanDerWaalsContact CE-O 3.24Å; K31-K137 WeakPolarHBondContact CE-O 3.19Å; K31-K137 PolarHBondContact NZ-O 2.93Å; K31-L187 HydrophobicContact CG-CD1 4.01Å; K31-L187 HydrophobicContact CG-CD2 4.41Å |
| 32 | P | 96.5 | Very high | 94 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 7% | 0.065 | 11% | 0.113 | C | C | . | . | trans | -58.3 | 130.6 | 173.7 | -15.4 | 24.8 | 0 | 0 | 0 | 110.6 | W34 F57 F77 F79 C139 | P32-W34 VanDerWaalsContact C-N 3.3Å; P32-W34 HydrophobicContact CB-CD2 3.82Å; P32-W34 HydrophobicContact CB-CE3 4.18Å; P32-W34 HydrophobicContact CB-CG 4.33Å; P32-W34 HydrophobicContact CB-CH2 4.28Å; P32-W34 HydrophobicContact CB-CZ2 3.86Å; P32-W34 HydrophobicContact CB-CZ3 4.41Å; P32-W34 HydrophobicContact CG-CH2 4.31Å; P32-W34 HydrophobicContact CG-CZ2 3.71Å; P32-W34 PolarHBondContact O-N 3.15Å; P32-W34 VanDerWaalsContact O-N 3.16Å; P32-F57 HydrophobicContact CB-CD2 3.88Å; P32-F57 HydrophobicContact CB-CE2 4.06Å; P32-F57 HydrophobicContact CB-CG 4.19Å; P32-F57 HydrophobicContact CG-CB 3.81Å; P32-F57 HydrophobicContact CG-CD1 4.4Å; P32-F57 HydrophobicContact CG-CD2 3.69Å; P32-F57 HydrophobicContact CG-CE2 4.37Å; P32-F57 HydrophobicContact CG-CG 3.69Å; P32-F77 HydrophobicContact CB-CD1 4.37Å; P32-F77 HydrophobicContact CB-CE1 4.47Å; P32-F79 HydrophobicContact CB-CZ 4.44Å; P32-F79 HydrophobicContact CG-CE1 3.85Å; P32-F79 HydrophobicContact CG-CZ 3.96Å; P32-C139 VanDerWaalsContact CD-O 3.31Å; P32-C139 WeakPolarHBondContact CD-O 3.45Å | ||
| 33 | A | 95.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 4% | 0.041 | 12% | 0.115 | C | C | . | . | trans | -85.9 | 80.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | S21 P25 K27 K31 L35 Q60 F77 | S21-A33 VanDerWaalsContact OG-CA 3.31Å; S21-A33 WeakPolarHBondContact OG-CA 3.17Å; P25-A33 HydrophobicContact CG-CB 3.77Å; K27-A33 HydrophobicContact CD-CB 4.33Å; K31-A33 PolarHBondContact O-N 2.99Å; A33-L35 PolarHBondContact O-N 3.41Å; A33-Q60 PolarHBondContact O-NE2 3.28Å; A33-F77 WeakPolarHBondContact O-CE1 3.5Å | ||
| 34 | W | 95.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | trans | -57.8 | 125.8 | -176.2 | -64.5 | 118 | 0 | 0 | 0 | 111.8 | S21 P32 I40 L46 F77 F79 Y109 G140 Y333 | S21-W34 VanDerWaalsContact CB-O 3.24Å; S21-W34 WeakPolarHBondContact CB-O 3.44Å; S21-W34 PolarHBondContact OG-N 3.48Å; S21-W34 VanDerWaalsContact OG-N 3.14Å; S21-W34 PolarHBondContact OG-O 3.49Å; P32-W34 VanDerWaalsContact C-N 3.3Å; P32-W34 HydrophobicContact CB-CD2 3.82Å; P32-W34 HydrophobicContact CB-CE3 4.18Å; P32-W34 HydrophobicContact CB-CG 4.33Å; P32-W34 HydrophobicContact CB-CH2 4.28Å; P32-W34 HydrophobicContact CB-CZ2 3.86Å; P32-W34 HydrophobicContact CB-CZ3 4.41Å; P32-W34 HydrophobicContact CG-CH2 4.31Å; P32-W34 HydrophobicContact CG-CZ2 3.71Å; P32-W34 PolarHBondContact O-N 3.15Å; P32-W34 VanDerWaalsContact O-N 3.16Å; W34-I40 HydrophobicContact CB-CD1 4.2Å; W34-I40 HydrophobicContact CD2-CG2 3.59Å; W34-I40 HydrophobicContact CE3-CG2 3.97Å; W34-I40 HydrophobicContact CG-CD1 3.99Å; W34-I40 HydrophobicContact CG-CG1 4.37Å; W34-I40 HydrophobicContact CG-CG2 4.13Å; W34-I40 HydrophobicContact CH2-CG2 3.86Å; W34-I40 HydrophobicContact CZ2-CG2 3.52Å; W34-I40 HydrophobicContact CZ3-CG2 4.1Å; W34-L46 HydrophobicContact CH2-CD1 4.36Å; W34-F77 HydrophobicContact CE3-CD1 4.23Å; W34-F77 HydrophobicContact CE3-CE1 4.03Å; W34-F77 HydrophobicContact CE3-CZ 4.3Å; W34-F77 HydrophobicContact CZ3-CD1 4.22Å; W34-F77 HydrophobicContact CZ3-CE1 4.48Å; W34-F77 HydrophobicContact CZ3-CG 4.38Å; W34-F79 HydrophobicContact CH2-CE1 4.24Å; W34-F79 HydrophobicContact CH2-CE2 4.11Å; W34-F79 AromaticContact CH2-CZ 3.39Å; W34-F79 HydrophobicContact CH2-CZ 3.39Å; W34-F79 HydrophobicContact CZ2-CZ 4.06Å; W34-F79 HydrophobicContact CZ3-CE2 4.45Å; W34-F79 HydrophobicContact CZ3-CZ 4.01Å; W34-Y109 PolarHBondContact O-OH 2.86Å; W34-G140 PolarHBondContact NE1-O 3.43Å; W34-Y333 HydrophobicContact CE3-CD1 4.35Å; W34-Y333 AromaticContact CE3-CE1 3.42Å; W34-Y333 HydrophobicContact CE3-CE1 3.42Å; W34-Y333 VanDerWaalsContact CE3-CE1 3.42Å; W34-Y333 AromaticContact CE3-CZ 3.58Å; W34-Y333 HydrophobicContact CZ3-CD1 4.09Å; W34-Y333 AromaticContact CZ3-CE1 3.59Å; W34-Y333 HydrophobicContact CZ3-CE1 3.59Å | ||
| 35 | L | 94.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -73.6 | -63.9 | 178.8 | -179.2 | 67.6 | 0 | 0 | 0 | 112 | F24 A33 H73 F77 S100 L102 Y109 Y333 | F24-L35 HydrophobicContact CD1-CD1 3.63Å; F24-L35 HydrophobicContact CE1-CD1 3.68Å; A33-L35 PolarHBondContact O-N 3.41Å; L35-H73 HydrophobicContact CD1-CB 3.89Å; L35-H73 HydrophobicContact CD2-CB 4.15Å; L35-F77 HydrophobicContact CB-CZ 4.3Å; L35-S100 WeakPolarHBondContact CD2-O 3.24Å; L35-L102 HydrophobicContact CD1-CD1 3.94Å; L35-L102 HydrophobicContact CD2-CD1 4.38Å; L35-L102 HydrophobicContact CD2-CG 4.23Å; L35-L102 HydrophobicContact CG-CD1 3.71Å; L35-L102 HydrophobicContact CG-CG 4.06Å; L35-Y109 WeakPolarHBondContact CA-OH 3.15Å; L35-Y109 HydrophobicContact CD1-CE2 3.85Å; L35-Y109 WeakPolarHBondContact O-CE2 3.48Å; L35-Y109 PolarHBondContact O-OH 2.83Å; L35-Y333 PolarHBondContact N-OH 2.74Å; L35-Y333 VanDerWaalsContact N-OH 3.11Å |
| 36 | S | 92.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -79.8 | 130.9 | 171.2 | 173.5 | 0 | 0 | 0 | 0 | 109.3 | L38 N331 Y333 | S36-L38 PolarHBondContact O-N 2.84Å; S36-L38 PolarHBondContact OG-N 3.33Å; S36-L38 PolarHBondContact OG-O 3.49Å; S36-N331 WeakPolarHBondContact CB-O 3.35Å; S36-N331 WeakPolarHBondContact OG-CB 3.21Å; S36-N331 PolarHBondContact OG-O 3.32Å; S36-Y333 PolarHBondContact N-OH 3.27Å; S36-Y333 VanDerWaalsContact N-OH 3.14Å; S36-Y333 PolarHBondContact O-OH 2.92Å |
| 37 | Q | 88.9 | Confident | 94.5 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 7% | 0.065 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -84.9 | 0.2 | 179.8 | -47 | -161.1 | 5.1 | 0 | 0 | 112.2 | F108 H129 S130 S131 | Q37-F108 HydrophobicContact CB-CD1 3.58Å; Q37-F108 HydrophobicContact CB-CE1 3.69Å; Q37-F108 HydrophobicContact CB-CG 4.33Å; Q37-F108 HydrophobicContact CG-CB 3.95Å; Q37-F108 HydrophobicContact CG-CD1 3.44Å; Q37-F108 VanDerWaalsContact CG-CD1 3.44Å; Q37-F108 HydrophobicContact CG-CE1 4.07Å; Q37-F108 HydrophobicContact CG-CG 3.77Å; Q37-H129 WeakPolarHBondContact CB-CE1 3.46Å; Q37-H129 VanDerWaalsContact CB-ND1 3.32Å; Q37-H129 WeakPolarHBondContact CB-ND1 3.13Å; Q37-H129 WeakPolarHBondContact CG-CE1 3.5Å; Q37-H129 WeakPolarHBondContact CG-ND1 3.47Å; Q37-H129 PolarHBondContact NE2-CE1 3.09Å; Q37-H129 PolarHBondContact OE1-CE1 3.36Å; Q37-H129 PolarHBondContact OE1-ND1 2.9Å; Q37-S130 PolarHBondContact OE1-OG 3.08Å; Q37-S131 WeakPolarHBondContact O-CB 3.22Å; Q37-S131 PolarHBondContact O-OG 2.86Å |
| 38 | L | 88.9 | Confident | 94.5 | Very high | 68 Ų | 68 | 28.6 Ų | 28.6 | 36% | 0.356 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -119.6 | 157.5 | 179.7 | -64.6 | 176.2 | 0 | 0 | 0 | 109.7 | S36 I40 F108 N331 | S36-L38 PolarHBondContact O-N 2.84Å; S36-L38 PolarHBondContact OG-N 3.33Å; S36-L38 PolarHBondContact OG-O 3.49Å; L38-I40 PolarHBondContact O-N 3.36Å; L38-F108 HydrophobicContact CB-CZ 4.24Å; L38-F108 HydrophobicContact CD1-CE1 4.03Å; L38-F108 HydrophobicContact CD1-CZ 3.84Å; L38-F108 HydrophobicContact CG-CE1 3.86Å; L38-F108 HydrophobicContact CG-CZ 3.85Å; L38-N331 HydrophobicContact CB-CB 4.37Å |
| 39 | D | 89.9 | Confident | 94.4 | Very high | 99 Ų | 99 | 30 Ų | 30 | 53% | 0.529 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 50.7 | 34.2 | 175 | -59.1 | -37.1 | 0 | 0 | 0 | 113.7 | K332 Y333 | D39-K332 HydrophobicContact CB-CB 4.42Å; D39-K332 HydrophobicContact CB-CG 3.87Å; D39-K332 WeakPolarHBondContact OD2-CG 3.37Å; D39-Y333 WeakPolarHBondContact O-CD2 3.24Å |
| 40 | I | 94.1 | Very high | 94.4 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 8% | 0.082 | 18% | 0.179 | C | C | . | . | trans | -63.1 | 134.4 | 176.2 | -59.3 | 171.3 | 0 | 0 | 0 | 108.3 | W34 L38 G42 L135 P142 Y333 | W34-I40 HydrophobicContact CB-CD1 4.2Å; W34-I40 HydrophobicContact CD2-CG2 3.59Å; W34-I40 HydrophobicContact CE3-CG2 3.97Å; W34-I40 HydrophobicContact CG-CD1 3.99Å; W34-I40 HydrophobicContact CG-CG1 4.37Å; W34-I40 HydrophobicContact CG-CG2 4.13Å; W34-I40 HydrophobicContact CH2-CG2 3.86Å; W34-I40 HydrophobicContact CZ2-CG2 3.52Å; W34-I40 HydrophobicContact CZ3-CG2 4.1Å; L38-I40 PolarHBondContact O-N 3.36Å; I40-G42 PolarHBondContact O-N 3.11Å; I40-L135 HydrophobicContact CD1-CD2 4.47Å; I40-P142 HydrophobicContact CB-CG 3.65Å; I40-P142 HydrophobicContact CG2-CG 3.51Å; I40-Y333 HydrophobicContact CG1-CE2 4.22Å | ||
| 41 | P | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -53.5 | 128.4 | -177.9 | -28.4 | 35.5 | 0 | 0 | 0 | 112.1 | E45 L46 F98 P142 Y333 | P41-E45 WeakPolarHBondContact CA-OE2 3.31Å; P41-E45 HydrophobicContact CB-CB 4.08Å; P41-L46 HydrophobicContact CB-CD1 4.03Å; P41-L46 HydrophobicContact CB-CD2 4.25Å; P41-L46 HydrophobicContact CB-CG 3.89Å; P41-L46 WeakPolarHBondContact O-CD1 3.43Å; P41-F98 HydrophobicContact CB-CE1 4.2Å; P41-F98 HydrophobicContact CB-CZ 4.22Å; P41-F98 HydrophobicContact CG-CD1 3.88Å; P41-F98 HydrophobicContact CG-CD2 4.44Å; P41-F98 HydrophobicContact CG-CE1 4.05Å; P41-F98 HydrophobicContact CG-CG 4.08Å; P41-F98 HydrophobicContact CG-CZ 4.42Å; P41-P142 VanDerWaalsContact O-CD 3.31Å; P41-P142 WeakPolarHBondContact O-CD 3.34Å; P41-Y333 VanDerWaalsContact CD-CG 3.48Å; P41-Y333 HydrophobicContact CG-CD1 4.13Å; P41-Y333 HydrophobicContact CG-CD2 4.39Å; P41-Y333 HydrophobicContact CG-CG 3.78Å | ||
| 42 | G | 94.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 36.3 Ų | 36.3 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | trans | -80.7 | 178.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I40 P44 E45 L46 | I40-G42 PolarHBondContact O-N 3.11Å; G42-P44 VanDerWaalsContact C-CD 3.42Å; G42-P44 VanDerWaalsContact C-N 3.34Å; G42-E45 PolarHBondContact N-OE2 3.3Å; G42-E45 VanDerWaalsContact N-OE2 3.15Å; G42-E45 PolarHBondContact O-N 2.9Å; G42-E45 VanDerWaalsContact O-N 3.12Å; G42-L46 WeakPolarHBondContact O-CB 3.47Å; G42-L46 PolarHBondContact O-N 3.25Å | ||
| 43 | L | 93.4 | Very high | 94.5 | Very high | 43 Ų | 43 | 39 Ų | 39 | 23% | 0.225 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -42.1 | 173.9 | -179.8 | 64.3 | 0 | 0 | 0 | 113.8 | E45 L46 E47 P54 C156 | L43-E45 PolarHBondContact O-N 3.49Å; L43-E45 VanDerWaalsContact O-N 3.16Å; L43-L46 CarbonylContact O-C 3.51Å; L43-L46 PolarHBondContact O-N 3.04Å; L43-L46 VanDerWaalsContact O-N 3.11Å; L43-E47 PolarHBondContact O-N 2.57Å; L43-P54 HydrophobicContact CD1-CB 3.77Å; L43-P54 HydrophobicContact CD1-CG 3.69Å; L43-C156 WeakPolarHBondContact CD2-O 3.42Å |
| 44 | P | 94.4 | Very high | 94.5 | Very high | 97 Ų | 97 | 39.3 Ų | 39.3 | 63% | 0.63 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.2 | 179.8 | -24.5 | 35.7 | 0 | 0 | 0 | 114.4 | G42 | G42-P44 VanDerWaalsContact C-CD 3.42Å; G42-P44 VanDerWaalsContact C-N 3.34Å |
| 45 | E | 95.8 | Very high | 94.5 | Very high | 95 Ų | 95 | 39.3 Ų | 39.3 | 44% | 0.444 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -29.7 | 177.2 | -65.3 | 171.1 | 96.7 | 0 | 0 | 111.6 | P41 G42 L43 F98 | P41-E45 WeakPolarHBondContact CA-OE2 3.31Å; P41-E45 HydrophobicContact CB-CB 4.08Å; G42-E45 PolarHBondContact N-OE2 3.3Å; G42-E45 VanDerWaalsContact N-OE2 3.15Å; G42-E45 PolarHBondContact O-N 2.9Å; G42-E45 VanDerWaalsContact O-N 3.12Å; L43-E45 PolarHBondContact O-N 3.49Å; L43-E45 VanDerWaalsContact O-N 3.16Å; E45-F98 HydrophobicContact CB-CE1 4.33Å; E45-F98 HydrophobicContact CB-CZ 3.99Å |
| 46 | L | 96.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -100.5 | 20.8 | -178.4 | -64.3 | 173 | 0 | 0 | 0 | 113.5 | W34 P41 G42 L43 T55 F79 F98 C141 | W34-L46 HydrophobicContact CH2-CD1 4.36Å; P41-L46 HydrophobicContact CB-CD1 4.03Å; P41-L46 HydrophobicContact CB-CD2 4.25Å; P41-L46 HydrophobicContact CB-CG 3.89Å; P41-L46 WeakPolarHBondContact O-CD1 3.43Å; G42-L46 WeakPolarHBondContact O-CB 3.47Å; G42-L46 PolarHBondContact O-N 3.25Å; L43-L46 CarbonylContact O-C 3.51Å; L43-L46 PolarHBondContact O-N 3.04Å; L43-L46 VanDerWaalsContact O-N 3.11Å; L46-T55 PolarHBondContact O-N 2.97Å; L46-T55 PolarHBondContact O-OG1 3.18Å; L46-F79 HydrophobicContact CD2-CD1 4.01Å; L46-F79 HydrophobicContact CD2-CD2 3.8Å; L46-F79 HydrophobicContact CD2-CE1 4.09Å; L46-F79 HydrophobicContact CD2-CE2 3.88Å; L46-F79 HydrophobicContact CD2-CG 3.89Å; L46-F79 HydrophobicContact CD2-CZ 4.05Å; L46-F98 HydrophobicContact CD2-CD2 4.16Å; L46-F98 HydrophobicContact CD2-CE2 3.54Å; L46-F98 HydrophobicContact CD2-CZ 4.27Å; L46-C141 HydrophobicContact CD1-CB 3.98Å |
| 47 | E | 96.8 | Very high | 94.9 | Very high | 57 Ų | 57 | 39.4 Ų | 39.4 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -91.6 | 143.6 | 170.3 | 63.6 | 174.1 | -133.5 | 0 | 0 | 111.2 | L43 G49 H52 K96 | L43-E47 PolarHBondContact O-N 2.57Å; E47-G49 PolarHBondContact O-N 3.05Å; E47-H52 IonicContact OE1-CE1 2.93Å; E47-H52 IonicContact OE1-CG 2.91Å; E47-H52 IonicContact OE1-ND1 3.09Å; E47-H52 PolarHBondContact OE1-ND1 2.99Å; E47-K96 WeakPolarHBondContact O-CE 3.44Å; E47-K96 PolarHBondContact O-NZ 3.49Å |
| 48 | C | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -61.4 | 131.2 | 173.8 | 175.4 | 0 | 0 | 0 | 0 | 109.9 | K50 C51 H52 L53 T55 C81 | C48-K50 PolarHBondContact O-N 3.27Å; C48-K50 PolarHBondContact SG-N 3.14Å; C48-C51 VanDerWaalsContact CB-SG 3.53Å; C48-C51 VanDerWaalsContact SG-SG 3.66Å; C48-H52 VanDerWaalsContact O-CA 3.24Å; C48-H52 WeakPolarHBondContact O-CA 3.42Å; C48-H52 PolarHBondContact O-N 3.21Å; C48-L53 PolarHBondContact N-O 3.28Å; C48-T55 HydrophobicContact CB-CG2 4.25Å; C48-C81 HydrophobicContact CB-CB 3.98Å; C48-C81 VanDerWaalsContact SG-SG 3.63Å | ||
| 49 | G | 96.4 | Very high | 95.8 | Very high | 31 Ų | 31 | 35.5 Ų | 35.5 | 32% | 0.32 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E47 R93 | E47-G49 PolarHBondContact O-N 3.05Å; G49-R93 WeakPolarHBondContact CA-O 3.4Å; G49-R93 PolarHBondContact N-O 2.85Å |
| 50 | K | 96.3 | Very high | 96.2 | Very high | 52 Ų | 52 | 30.9 Ų | 30.9 | 23% | 0.226 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -59.2 | 177.9 | -66.8 | -178.3 | 178.4 | -177.2 | 0 | 112.2 | C48 C86 S88 D91 R93 | C48-K50 PolarHBondContact O-N 3.27Å; C48-K50 PolarHBondContact SG-N 3.14Å; K50-C86 HydrophobicContact CB-CB 4.37Å; K50-C86 HydrophobicContact CD-CB 4.04Å; K50-C86 VanDerWaalsContact CD-O 3.26Å; K50-C86 WeakPolarHBondContact CD-O 3.47Å; K50-C86 WeakPolarHBondContact CE-O 3.17Å; K50-C86 PolarHBondContact NZ-O 2.91Å; K50-S88 PolarHBondContact NZ-OG 2.98Å; K50-D91 VanDerWaalsContact CE-CG 3.4Å; K50-D91 WeakPolarHBondContact CE-OD2 3.33Å; K50-D91 VanDerWaalsContact NZ-CG 3.3Å; K50-D91 IonicContact NZ-OD1 3.1Å; K50-D91 IonicContact NZ-OD2 3.88Å; K50-D91 PolarHBondContact NZ-OD2 2.72Å; K50-R93 HydrophobicContact CG-CB 4.17Å |
| 51 | C | 95.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 30.3 Ų | 30.3 | 27% | 0.27 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -7.8 | -177.6 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | C48 L53 C81 | C48-C51 VanDerWaalsContact CB-SG 3.53Å; C48-C51 VanDerWaalsContact SG-SG 3.66Å; C51-L53 HydrophobicContact CB-CD1 4.4Å; C51-L53 HydrophobicContact CB-CG 4.25Å; C51-L53 PolarHBondContact O-N 3.36Å; C51-C81 PolarHBondContact SG-SG 3.12Å |
| 52 | H | 96.2 | Very high | 96.5 | Very high | 115 Ų | 115 | 33.1 Ų | 33.1 | 53% | 0.532 | 18% | 0.18 | S | C | . | . | trans | 57.3 | 13.9 | -176.1 | -55.5 | -80 | 0 | 0 | 0 | 114.9 | E47 C48 | E47-H52 IonicContact OE1-CE1 2.93Å; E47-H52 IonicContact OE1-CG 2.91Å; E47-H52 IonicContact OE1-ND1 3.09Å; E47-H52 PolarHBondContact OE1-ND1 2.99Å; C48-H52 VanDerWaalsContact O-CA 3.24Å; C48-H52 WeakPolarHBondContact O-CA 3.42Å; C48-H52 PolarHBondContact O-N 3.21Å | ||
| 53 | L | 95.3 | Very high | 96.6 | Very high | 67 Ų | 67 | 32.7 Ų | 32.7 | 35% | 0.351 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -79.4 | 153.2 | 170.5 | -59.3 | 176 | 0 | 0 | 0 | 110 | C48 C51 T55 E159 | C48-L53 PolarHBondContact N-O 3.28Å; C51-L53 HydrophobicContact CB-CD1 4.4Å; C51-L53 HydrophobicContact CB-CG 4.25Å; C51-L53 PolarHBondContact O-N 3.36Å; L53-T55 PolarHBondContact O-N 3.34Å; L53-E159 HydrophobicContact CD2-CG 3.79Å |
| 54 | P | 95.9 | Very high | 96.7 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 7% | 0.071 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -58.7 | 136.2 | 176.8 | -15 | 24.2 | 0 | 0 | 0 | 111.8 | L43 S157 H160 | L43-P54 HydrophobicContact CD1-CB 3.77Å; L43-P54 HydrophobicContact CD1-CG 3.69Å; P54-S157 VanDerWaalsContact CG-OG 3.3Å; P54-S157 WeakPolarHBondContact CG-OG 3.47Å; P54-H160 WeakPolarHBondContact CB-NE2 3.36Å |
| 55 | T | 96.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 147.7 | 172.6 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | L46 C48 L53 F79 C80 K96 | L46-T55 PolarHBondContact O-N 2.97Å; L46-T55 PolarHBondContact O-OG1 3.18Å; C48-T55 HydrophobicContact CB-CG2 4.25Å; L53-T55 PolarHBondContact O-N 3.34Å; T55-F79 WeakPolarHBondContact OG1-CB 3.44Å; T55-C80 CarbonylContact C-O 3.58Å; T55-C80 WeakPolarHBondContact CA-O 3.42Å; T55-C80 WeakPolarHBondContact CB-O 3.37Å; T55-K96 HydrophobicContact CG2-CG 4.35Å |
| 56 | A | 96.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 148.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L58 F79 C80 K82 F186 F188 | A56-L58 PolarHBondContact O-N 2.91Å; A56-F79 CarbonylContact O-C 3.59Å; A56-F79 WeakPolarHBondContact O-CA 3.5Å; A56-F79 WeakPolarHBondContact O-CB 3.46Å; A56-C80 PolarHBondContact N-O 2.87Å; A56-C80 PolarHBondContact O-N 2.67Å; A56-K82 HydrophobicContact CB-CD 3.87Å; A56-K82 HydrophobicContact CB-CG 3.86Å; A56-F186 HydrophobicContact CB-CE1 3.86Å; A56-F186 HydrophobicContact CB-CE2 4.32Å; A56-F186 HydrophobicContact CB-CZ 3.75Å; A56-F188 HydrophobicContact CB-CD2 4.45Å; A56-F188 HydrophobicContact CB-CE2 3.82Å; A56-F188 HydrophobicContact CB-CZ 4.41Å |
| 57 | F | 97.9 | Very high | 96 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.022 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 118.3 | 172.6 | 175.3 | -112.8 | 0 | 0 | 0 | 109.4 | K27 G29 P32 M59 Q60 F77 F79 F188 | K27-F57 HydrophobicContact CG-CE1 4.47Å; G29-F57 VanDerWaalsContact O-CD1 3.24Å; G29-F57 WeakPolarHBondContact O-CD1 3.17Å; G29-F57 WeakPolarHBondContact O-CE1 3.36Å; P32-F57 HydrophobicContact CB-CD2 3.88Å; P32-F57 HydrophobicContact CB-CE2 4.06Å; P32-F57 HydrophobicContact CB-CG 4.19Å; P32-F57 HydrophobicContact CG-CB 3.81Å; P32-F57 HydrophobicContact CG-CD1 4.4Å; P32-F57 HydrophobicContact CG-CD2 3.69Å; P32-F57 HydrophobicContact CG-CE2 4.37Å; P32-F57 HydrophobicContact CG-CG 3.69Å; F57-M59 VanDerWaalsContact CE2-C 3.44Å; F57-M59 VanDerWaalsContact CE2-O 3.23Å; F57-M59 WeakPolarHBondContact CE2-O 3.47Å; F57-Q60 HydrophobicContact CE2-CB 3.98Å; F57-Q60 HydrophobicContact CE2-CG 4.48Å; F57-Q60 HydrophobicContact CZ-CB 3.75Å; F57-Q60 HydrophobicContact CZ-CG 3.79Å; F57-F77 AromaticContact CE2-CD1 3.98Å; F57-F77 HydrophobicContact CE2-CD1 3.98Å; F57-F79 HydrophobicContact CB-CD1 4.06Å; F57-F79 HydrophobicContact CB-CE1 3.84Å; F57-F79 HydrophobicContact CD2-CD1 4.33Å; F57-F79 AromaticContact CD2-CE1 3.8Å; F57-F79 HydrophobicContact CD2-CE1 3.8Å; F57-F79 HydrophobicContact CD2-CE2 4.46Å; F57-F79 AromaticContact CD2-CZ 3.84Å; F57-F79 HydrophobicContact CD2-CZ 3.84Å; F57-F79 HydrophobicContact CG-CE1 4.3Å; F57-F188 VanDerWaalsContact O-CD2 3.26Å; F57-F188 WeakPolarHBondContact O-CD2 3.21Å |
| 58 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -57.1 | -179.4 | 176.8 | 60.7 | 0 | 0 | 0 | 110.5 | G29 A56 V78 C80 F188 L300 L304 W315 L318 | G29-L58 PolarHBondContact N-O 2.89Å; A56-L58 PolarHBondContact O-N 2.91Å; L58-V78 HydrophobicContact CB-CB 4.5Å; L58-V78 HydrophobicContact CB-CG1 4.42Å; L58-V78 WeakPolarHBondContact CB-O 3.49Å; L58-V78 HydrophobicContact CD2-CG1 3.97Å; L58-V78 PolarHBondContact N-O 3.48Å; L58-C80 HydrophobicContact CD2-CB 4.47Å; L58-F188 HydrophobicContact CD1-CD2 4.42Å; L58-F188 HydrophobicContact CD1-CE2 4.24Å; L58-L300 HydrophobicContact CD1-CD2 4.1Å; L58-L300 HydrophobicContact CG-CD2 4.38Å; L58-L304 HydrophobicContact CD1-CD1 3.66Å; L58-L304 HydrophobicContact CD1-CD2 3.78Å; L58-L304 HydrophobicContact CD1-CG 4.37Å; L58-W315 HydrophobicContact CD1-CH2 4.2Å; L58-W315 HydrophobicContact CD2-CH2 4.07Å; L58-L318 HydrophobicContact CD2-CD1 4.43Å |
| 59 | M | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 165.6 | -178.4 | 70.6 | -172.6 | -51 | 0 | 0 | 112.1 | K27 V28 F57 V61 V78 L193 L259 V296 L300 | K27-M59 CarbonylContact O-C 3.58Å; K27-M59 WeakPolarHBondContact O-CA 3.3Å; K27-M59 WeakPolarHBondContact O-CB 3.2Å; V28-M59 HydrophobicContact CG2-CB 3.91Å; V28-M59 HydrophobicContact CG2-CE 4.14Å; F57-M59 VanDerWaalsContact CE2-C 3.44Å; F57-M59 VanDerWaalsContact CE2-O 3.23Å; F57-M59 WeakPolarHBondContact CE2-O 3.47Å; M59-V61 HydrophobicContact CE-CG2 4.27Å; M59-V78 HydrophobicContact CG-CB 4Å; M59-V78 HydrophobicContact CG-CG2 4.05Å; M59-V78 PolarHBondContact N-O 2.9Å; M59-V78 PolarHBondContact O-N 2.83Å; M59-L193 HydrophobicContact CE-CD2 3.43Å; M59-L193 VanDerWaalsContact CE-CD2 3.43Å; M59-L259 HydrophobicContact CE-CD1 3.89Å; M59-V296 HydrophobicContact SD-CB 4.39Å; M59-V296 HydrophobicContact SD-CG1 3.93Å; M59-V296 HydrophobicContact SD-CG2 3.53Å; M59-V296 VanDerWaalsContact SD-CG2 3.53Å; M59-L300 HydrophobicContact SD-CD2 4.19Å |
| 60 | Q | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 148.6 | 165.8 | 66.8 | -175.6 | 68.3 | 0 | 0 | 111.2 | P25 S26 K27 A33 F57 T75 I76 F77 | P25-Q60 PolarHBondContact O-NE2 3.38Å; S26-Q60 CarbonylContact C-O 3.55Å; S26-Q60 WeakPolarHBondContact CA-O 3.22Å; K27-Q60 HydrophobicContact CD-CG 4.36Å; K27-Q60 HydrophobicContact CG-CG 3.59Å; K27-Q60 PolarHBondContact N-O 3.04Å; K27-Q60 PolarHBondContact O-N 2.84Å; A33-Q60 PolarHBondContact O-NE2 3.28Å; F57-Q60 HydrophobicContact CE2-CB 3.98Å; F57-Q60 HydrophobicContact CE2-CG 4.48Å; F57-Q60 HydrophobicContact CZ-CB 3.75Å; F57-Q60 HydrophobicContact CZ-CG 3.79Å; Q60-T75 HydrophobicContact CB-CG2 3.9Å; Q60-T75 HydrophobicContact CG-CG2 4.33Å; Q60-I76 CarbonylContact C-O 3.55Å; Q60-I76 WeakPolarHBondContact CA-O 3.27Å; Q60-I76 WeakPolarHBondContact CB-O 3.29Å; Q60-F77 HydrophobicContact CB-CD1 3.84Å; Q60-F77 HydrophobicContact CB-CE1 4.11Å; Q60-F77 HydrophobicContact CB-CG 4.37Å |
| 61 | V | 98.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122 | 177.9 | -174.4 | 0 | 0 | 0 | 0 | 108.5 | M59 A63 T75 I76 L193 L259 Y261 F294 | M59-V61 HydrophobicContact CE-CG2 4.27Å; V61-A63 HydrophobicContact CG1-CB 4.45Å; V61-T75 WeakPolarHBondContact O-CA 3.48Å; V61-I76 PolarHBondContact N-O 2.92Å; V61-I76 PolarHBondContact O-N 2.73Å; V61-L193 HydrophobicContact CG2-CD2 4.01Å; V61-L259 HydrophobicContact CG1-CD2 4.43Å; V61-L259 HydrophobicContact CG2-CD1 4.09Å; V61-L259 HydrophobicContact CG2-CD2 4.28Å; V61-Y261 HydrophobicContact CG1-CD2 4.24Å; V61-Y261 HydrophobicContact CG1-CE2 4.41Å; V61-F294 HydrophobicContact CB-CE1 4.14Å; V61-F294 HydrophobicContact CB-CZ 4.48Å; V61-F294 HydrophobicContact CG2-CD1 4.43Å; V61-F294 HydrophobicContact CG2-CE1 3.98Å; V61-F294 HydrophobicContact CG2-CE2 4.27Å; V61-F294 HydrophobicContact CG2-CZ 3.88Å |
| 62 | Y | 97.9 | Very high | 94.9 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 115.4 | 169.9 | -175 | -110.7 | 0 | 0 | 0 | 109.4 | F24 S26 P64 F72 H73 R74 | F24-Y62 HydrophobicContact CB-CD2 3.83Å; F24-Y62 HydrophobicContact CB-CE1 4.49Å; F24-Y62 HydrophobicContact CB-CE2 3.77Å; F24-Y62 HydrophobicContact CB-CG 4.21Å; F24-Y62 HydrophobicContact CD1-CE2 4.19Å; F24-Y62 HydrophobicContact CG-CE2 4.19Å; F24-Y62 WeakPolarHBondContact O-CB 2.88Å; S26-Y62 PolarHBondContact OG-N 3.38Å; Y62-P64 HydrophobicContact CD1-CG 4.39Å; Y62-P64 HydrophobicContact CE1-CB 4.47Å; Y62-P64 HydrophobicContact CE1-CG 3.9Å; Y62-F72 PolarHBondContact OH-O 2.86Å; Y62-H73 HydrophobicContact CE2-CB 4.1Å; Y62-H73 AromaticContact CE2-ND1 3.88Å; Y62-H73 AromaticContact CZ-ND1 3.75Å; Y62-H73 PolarHBondContact OH-ND1 3.41Å; Y62-R74 WeakPolarHBondContact CD2-O 3.47Å |
| 63 | A | 96.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | trans | -139.8 | 66.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 111 | V61 R74 I76 Y261 | V61-A63 HydrophobicContact CG1-CB 4.45Å; A63-R74 CarbonylContact C-O 3.59Å; A63-R74 PolarHBondContact N-O 3.37Å; A63-R74 WeakPolarHBondContact O-CB 3.28Å; A63-R74 VanDerWaalsContact O-CD 3.27Å; A63-R74 WeakPolarHBondContact O-CD 3.45Å; A63-R74 VanDerWaalsContact O-CG 3.29Å; A63-R74 WeakPolarHBondContact O-CG 3.46Å; A63-R74 PolarHBondContact O-NH1 3.36Å; A63-I76 HydrophobicContact CB-CD1 4.33Å; A63-Y261 HydrophobicContact CB-CE2 3.8Å; A63-Y261 WeakPolarHBondContact CB-OH 3.39Å | ||
| 64 | P | 95.8 | Very high | 94.9 | Very high | 61 Ų | 61 | 36.3 Ų | 36.3 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | trans | -64.2 | 148.7 | 179 | 30.6 | -36.8 | 0 | 0 | 0 | 111.6 | Y62 S71 F72 | Y62-P64 HydrophobicContact CD1-CG 4.39Å; Y62-P64 HydrophobicContact CE1-CB 4.47Å; Y62-P64 HydrophobicContact CE1-CG 3.9Å; P64-S71 WeakPolarHBondContact CA-O 3.1Å; P64-F72 VanDerWaalsContact CB-O 3.26Å; P64-F72 WeakPolarHBondContact CB-O 3.4Å | ||
| 65 | I | 94.3 | Very high | 95 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | trans | -108.7 | 115 | 175.9 | -59.6 | 168.1 | 0 | 0 | 0 | 109.1 | G67 Q68 S71 | I65-G67 PolarHBondContact O-N 2.91Å; I65-Q68 HydrophobicContact CG2-CB 4.26Å; I65-Q68 PolarHBondContact O-N 2.86Å; I65-S71 WeakPolarHBondContact CB-OG 3.22Å; I65-S71 PolarHBondContact N-O 3.46Å | ||
| 66 | T | 89.9 | Confident | 95.1 | Very high | 128 Ų | 128 | 35.7 Ų | 35.7 | 79% | 0.785 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 131.3 | 179 | -63.4 | 0 | 0 | 0 | 0 | 111 | Q68 | T66-Q68 VanDerWaalsContact C-N 3.34Š|
| 67 | G | 87.4 | Confident | 95.2 | Very high | 89 Ų | 89 | 35.7 Ų | 35.7 | 92% | 0.918 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | -0.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | I65 | I65-G67 PolarHBondContact O-N 2.91Š|
| 68 | Q | 88.9 | Confident | 95.3 | Very high | 63 Ų | 63 | 35.5 Ų | 35.5 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | trans | -115.7 | 108.1 | 174.6 | 179.9 | 174.5 | 26.3 | 0 | 0 | 109.9 | I65 T66 R70 S71 D325 S326 | I65-Q68 HydrophobicContact CG2-CB 4.26Å; I65-Q68 PolarHBondContact O-N 2.86Å; T66-Q68 VanDerWaalsContact C-N 3.34Å; Q68-R70 VanDerWaalsContact C-N 3.33Å; Q68-R70 PolarHBondContact O-N 2.86Å; Q68-S71 WeakPolarHBondContact CB-OG 3.27Å; Q68-S71 WeakPolarHBondContact CG-OG 3.21Å; Q68-S71 PolarHBondContact O-N 2.96Å; Q68-S71 VanDerWaalsContact O-N 3.13Å; Q68-S71 PolarHBondContact O-OG 2.83Å; Q68-S71 PolarHBondContact OE1-OG 2.96Å; Q68-D325 PolarHBondContact NE2-O 3.09Å; Q68-S326 VanDerWaalsContact OE1-CB 3.32Å | ||
| 69 | D | 90.1 | Very high | 95.3 | Very high | 110 Ų | 110 | 35.5 Ų | 35.5 | 59% | 0.588 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -56.5 | -44.5 | -171.8 | 179.2 | 64.5 | 0 | 0 | 0 | 112.5 | S71 F72 P103 | D69-S71 PolarHBondContact O-N 2.84Å; D69-F72 WeakPolarHBondContact O-CB 3.49Å; D69-F72 PolarHBondContact O-N 3.33Å; D69-P103 VanDerWaalsContact O-CA 3.28Å; D69-P103 WeakPolarHBondContact O-CA 3.2Å |
| 70 | R | 92 | Very high | 95.2 | Very high | 107 Ų | 107 | 35.5 Ų | 35.5 | 40% | 0.404 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -66.1 | -22.1 | -178.3 | -76.9 | -70.3 | 179.5 | 179.8 | -3.4 | 114.8 | Q68 Q101 L102 D328 | Q68-R70 VanDerWaalsContact C-N 3.33Å; Q68-R70 PolarHBondContact O-N 2.86Å; R70-Q101 WeakPolarHBondContact O-CB 3.43Å; R70-L102 CarbonylContact O-C 3.49Å; R70-L102 PolarHBondContact O-N 3.23Å; R70-D328 WeakPolarHBondContact CD-OD2 3.5Å; R70-D328 HydrophobicContact CG-CB 4.49Å; R70-D328 IonicContact CZ-OD2 3Å; R70-D328 IonicContact NE-OD2 2.82Å; R70-D328 PolarHBondContact NE-OD2 2.81Å; R70-D328 VanDerWaalsContact NE-OD2 3.09Å |
| 71 | S | 93.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -105.4 | 23.4 | 179.6 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | P64 I65 Q68 D69 H73 | P64-S71 WeakPolarHBondContact CA-O 3.1Å; I65-S71 WeakPolarHBondContact CB-OG 3.22Å; I65-S71 PolarHBondContact N-O 3.46Å; Q68-S71 WeakPolarHBondContact CB-OG 3.27Å; Q68-S71 WeakPolarHBondContact CG-OG 3.21Å; Q68-S71 PolarHBondContact O-N 2.96Å; Q68-S71 VanDerWaalsContact O-N 3.13Å; Q68-S71 PolarHBondContact O-OG 2.83Å; Q68-S71 PolarHBondContact OE1-OG 2.96Å; D69-S71 PolarHBondContact O-N 2.84Å; S71-H73 VanDerWaalsContact C-N 3.3Å |
| 72 | F | 94.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 38 Ų | 38 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -57.6 | -48.1 | 174.9 | -174.5 | -76.7 | 0 | 0 | 0 | 110.4 | Y62 P64 D69 R104 | Y62-F72 PolarHBondContact OH-O 2.86Å; P64-F72 VanDerWaalsContact CB-O 3.26Å; P64-F72 WeakPolarHBondContact CB-O 3.4Å; D69-F72 WeakPolarHBondContact O-CB 3.49Å; D69-F72 PolarHBondContact O-N 3.33Å; F72-R104 HydrophobicContact CB-CB 4.21Å; F72-R104 HydrophobicContact CD1-CB 4.01Å; F72-R104 HydrophobicContact CD1-CG 4.4Å; F72-R104 HydrophobicContact CD2-CB 3.82Å; F72-R104 HydrophobicContact CD2-CG 4.38Å; F72-R104 HydrophobicContact CE1-CB 4.46Å; F72-R104 VanDerWaalsContact CE1-CD 3.4Å; F72-R104 HydrophobicContact CE1-CG 4.38Å; F72-R104 HydrophobicContact CE2-CB 4.22Å; F72-R104 HydrophobicContact CE2-CG 4.28Å; F72-R104 HydrophobicContact CG-CB 3.7Å; F72-R104 HydrophobicContact CG-CG 4.44Å; F72-R104 HydrophobicContact CZ-CG 4.3Å |
| 73 | H | 95.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.7 | 162.5 | -60.7 | -67.3 | 0 | 0 | 0 | 107.4 | F24 L35 Y62 S71 Q101 L102 R104 | F24-H73 AromaticContact CD1-ND1 3.65Å; F24-H73 HydrophobicContact CE1-CB 4.39Å; F24-H73 AromaticContact CE1-CE1 3.7Å; F24-H73 AromaticContact CE1-CG 3.78Å; F24-H73 AromaticContact CE1-ND1 3.46Å; F24-H73 WeakPolarHBondContact CE1-ND1 3.33Å; F24-H73 AromaticContact CE2-CE1 3.67Å; F24-H73 AromaticContact CZ-CE1 3.41Å; F24-H73 VanDerWaalsContact CZ-CE1 3.41Å; F24-H73 WeakPolarHBondContact CZ-CE1 3.37Å; F24-H73 AromaticContact CZ-ND1 3.69Å; F24-H73 AromaticContact CZ-NE2 3.84Å; L35-H73 HydrophobicContact CD1-CB 3.89Å; L35-H73 HydrophobicContact CD2-CB 4.15Å; Y62-H73 HydrophobicContact CE2-CB 4.1Å; Y62-H73 AromaticContact CE2-ND1 3.88Å; Y62-H73 AromaticContact CZ-ND1 3.75Å; Y62-H73 PolarHBondContact OH-ND1 3.41Å; S71-H73 VanDerWaalsContact C-N 3.3Å; H73-Q101 CarbonylContact O-C 3.35Å; H73-Q101 VanDerWaalsContact O-CA 3.22Å; H73-Q101 WeakPolarHBondContact O-CA 3.26Å; H73-L102 HydrophobicContact CB-CB 4.23Å; H73-L102 PolarHBondContact N-O 3.47Å; H73-L102 PolarHBondContact O-N 3.08Å; H73-R104 PolarHBondContact CE1-NH1 2.67Å; H73-R104 PolarHBondContact NE2-NH1 3.13Å |
| 74 | R | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 125.3 | 177.8 | 170.5 | 172.7 | 179.9 | -78.5 | 4.9 | 108.2 | Y62 A63 R99 S100 Q101 E293 T322 S326 | Y62-R74 WeakPolarHBondContact CD2-O 3.47Å; A63-R74 CarbonylContact C-O 3.59Å; A63-R74 PolarHBondContact N-O 3.37Å; A63-R74 WeakPolarHBondContact O-CB 3.28Å; A63-R74 VanDerWaalsContact O-CD 3.27Å; A63-R74 WeakPolarHBondContact O-CD 3.45Å; A63-R74 VanDerWaalsContact O-CG 3.29Å; A63-R74 WeakPolarHBondContact O-CG 3.46Å; A63-R74 PolarHBondContact O-NH1 3.36Å; R74-R99 HydrophobicContact CG-CG 4.4Å; R74-S100 WeakPolarHBondContact CA-O 3.38Å; R74-Q101 HydrophobicContact CB-CG 4.14Å; R74-Q101 HydrophobicContact CG-CG 3.91Å; R74-E293 IonicContact CZ-OE1 3.49Å; R74-E293 VanDerWaalsContact CZ-OE1 3.26Å; R74-E293 IonicContact CZ-OE2 3.21Å; R74-E293 IonicContact NH1-OE1 3.93Å; R74-E293 PolarHBondContact NH1-OE1 3.24Å; R74-E293 IonicContact NH2-OE1 3.33Å; R74-E293 PolarHBondContact NH2-OE1 3.26Å; R74-E293 IonicContact NH2-OE2 2.99Å; R74-E293 PolarHBondContact NH2-OE2 3.43Å; R74-T322 PolarHBondContact NH2-OG1 3.34Å; R74-S326 PolarHBondContact NE-OG 2.95Å |
| 75 | T | 98 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.3 | -178.8 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | Q60 V61 F77 R99 S100 | Q60-T75 HydrophobicContact CB-CG2 3.9Å; Q60-T75 HydrophobicContact CG-CG2 4.33Å; V61-T75 WeakPolarHBondContact O-CA 3.48Å; T75-F77 HydrophobicContact CG2-CD2 4.12Å; T75-F77 HydrophobicContact CG2-CE1 3.99Å; T75-F77 HydrophobicContact CG2-CE2 3.51Å; T75-F77 HydrophobicContact CG2-CZ 3.43Å; T75-F77 VanDerWaalsContact CG2-CZ 3.43Å; T75-R99 WeakPolarHBondContact O-CA 3.41Å; T75-S100 PolarHBondContact N-O 2.99Å; T75-S100 PolarHBondContact O-N 3.19Å |
| 76 | I | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.3 | 175.2 | -60.1 | 160.4 | 0 | 0 | 0 | 107.7 | Q60 V61 A63 V97 F98 R99 E293 F294 V320 T322 | Q60-I76 CarbonylContact C-O 3.55Å; Q60-I76 WeakPolarHBondContact CA-O 3.27Å; Q60-I76 WeakPolarHBondContact CB-O 3.29Å; V61-I76 PolarHBondContact N-O 2.92Å; V61-I76 PolarHBondContact O-N 2.73Å; A63-I76 HydrophobicContact CB-CD1 4.33Å; I76-V97 HydrophobicContact CG2-CG1 3.56Å; I76-F98 CarbonylContact C-O 3.58Å; I76-F98 WeakPolarHBondContact CA-O 3.22Å; I76-R99 HydrophobicContact CG1-CB 4.45Å; I76-R99 HydrophobicContact CG1-CG 4.37Å; I76-E293 HydrophobicContact CD1-CG 3.6Å; I76-F294 HydrophobicContact CB-CE1 3.94Å; I76-F294 HydrophobicContact CB-CZ 4.41Å; I76-F294 HydrophobicContact CD1-CD1 4.24Å; I76-F294 HydrophobicContact CD1-CE1 3.72Å; I76-F294 HydrophobicContact CG1-CE1 4.47Å; I76-F294 HydrophobicContact CG2-CE1 3.74Å; I76-F294 HydrophobicContact CG2-CZ 3.89Å; I76-V320 HydrophobicContact CG2-CG1 4.18Å; I76-T322 HydrophobicContact CD1-CG2 3.7Å; I76-T322 HydrophobicContact CG1-CG2 4.24Å |
| 77 | F | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 134.7 | -176.9 | -59.2 | -98.8 | 0 | 0 | 0 | 109.1 | P32 A33 W34 L35 F57 Q60 T75 F79 V97 F98 Y333 | P32-F77 HydrophobicContact CB-CD1 4.37Å; P32-F77 HydrophobicContact CB-CE1 4.47Å; A33-F77 WeakPolarHBondContact O-CE1 3.5Å; W34-F77 HydrophobicContact CE3-CD1 4.23Å; W34-F77 HydrophobicContact CE3-CE1 4.03Å; W34-F77 HydrophobicContact CE3-CZ 4.3Å; W34-F77 HydrophobicContact CZ3-CD1 4.22Å; W34-F77 HydrophobicContact CZ3-CE1 4.48Å; W34-F77 HydrophobicContact CZ3-CG 4.38Å; L35-F77 HydrophobicContact CB-CZ 4.3Å; F57-F77 AromaticContact CE2-CD1 3.98Å; F57-F77 HydrophobicContact CE2-CD1 3.98Å; Q60-F77 HydrophobicContact CB-CD1 3.84Å; Q60-F77 HydrophobicContact CB-CE1 4.11Å; Q60-F77 HydrophobicContact CB-CG 4.37Å; T75-F77 HydrophobicContact CG2-CD2 4.12Å; T75-F77 HydrophobicContact CG2-CE1 3.99Å; T75-F77 HydrophobicContact CG2-CE2 3.51Å; T75-F77 HydrophobicContact CG2-CZ 3.43Å; T75-F77 VanDerWaalsContact CG2-CZ 3.43Å; F77-F79 HydrophobicContact CB-CD2 4.44Å; F77-F79 HydrophobicContact CB-CE2 3.65Å; F77-F79 HydrophobicContact CB-CZ 4.35Å; F77-V97 CarbonylContact O-C 3.49Å; F77-V97 VanDerWaalsContact O-CA 3.25Å; F77-V97 WeakPolarHBondContact O-CA 3.36Å; F77-V97 WeakPolarHBondContact O-CG1 3.23Å; F77-F98 PolarHBondContact N-O 3.36Å; F77-F98 PolarHBondContact O-N 3.13Å; F77-Y333 HydrophobicContact CD2-CD1 4.29Å; F77-Y333 AromaticContact CD2-CE1 3.93Å; F77-Y333 HydrophobicContact CD2-CE1 3.93Å; F77-Y333 HydrophobicContact CE2-CD1 4.35Å; F77-Y333 AromaticContact CE2-CE1 3.61Å; F77-Y333 HydrophobicContact CE2-CE1 3.61Å; F77-Y333 HydrophobicContact CZ-CE1 4.14Å |
| 78 | V | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 133.7 | 176.8 | -171.8 | 0 | 0 | 0 | 0 | 108.8 | L58 M59 K96 V97 F294 V320 I338 | L58-V78 HydrophobicContact CB-CB 4.5Å; L58-V78 HydrophobicContact CB-CG1 4.42Å; L58-V78 WeakPolarHBondContact CB-O 3.49Å; L58-V78 HydrophobicContact CD2-CG1 3.97Å; L58-V78 PolarHBondContact N-O 3.48Å; M59-V78 HydrophobicContact CG-CB 4Å; M59-V78 HydrophobicContact CG-CG2 4.05Å; M59-V78 PolarHBondContact N-O 2.9Å; M59-V78 PolarHBondContact O-N 2.83Å; V78-K96 WeakPolarHBondContact CA-O 3.45Å; V78-V97 HydrophobicContact CG1-CG2 4.21Å; V78-V97 HydrophobicContact CG2-CG2 4.16Å; V78-F294 HydrophobicContact CG2-CE2 4.4Å; V78-F294 HydrophobicContact CG2-CZ 4.12Å; V78-V320 HydrophobicContact CG2-CG2 4.46Å; V78-I338 HydrophobicContact CG1-CD1 3.95Å |
| 79 | F | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 148.6 | 176.2 | -60.5 | -101.5 | 0 | 0 | 0 | 109.9 | P32 W34 L46 T55 A56 F57 F77 L95 K96 F98 | P32-F79 HydrophobicContact CB-CZ 4.44Å; P32-F79 HydrophobicContact CG-CE1 3.85Å; P32-F79 HydrophobicContact CG-CZ 3.96Å; W34-F79 HydrophobicContact CH2-CE1 4.24Å; W34-F79 HydrophobicContact CH2-CE2 4.11Å; W34-F79 AromaticContact CH2-CZ 3.39Å; W34-F79 HydrophobicContact CH2-CZ 3.39Å; W34-F79 HydrophobicContact CZ2-CZ 4.06Å; W34-F79 HydrophobicContact CZ3-CE2 4.45Å; W34-F79 HydrophobicContact CZ3-CZ 4.01Å; L46-F79 HydrophobicContact CD2-CD1 4.01Å; L46-F79 HydrophobicContact CD2-CD2 3.8Å; L46-F79 HydrophobicContact CD2-CE1 4.09Å; L46-F79 HydrophobicContact CD2-CE2 3.88Å; L46-F79 HydrophobicContact CD2-CG 3.89Å; L46-F79 HydrophobicContact CD2-CZ 4.05Å; T55-F79 WeakPolarHBondContact OG1-CB 3.44Å; A56-F79 CarbonylContact O-C 3.59Å; A56-F79 WeakPolarHBondContact O-CA 3.5Å; A56-F79 WeakPolarHBondContact O-CB 3.46Å; F57-F79 HydrophobicContact CB-CD1 4.06Å; F57-F79 HydrophobicContact CB-CE1 3.84Å; F57-F79 HydrophobicContact CD2-CD1 4.33Å; F57-F79 AromaticContact CD2-CE1 3.8Å; F57-F79 HydrophobicContact CD2-CE1 3.8Å; F57-F79 HydrophobicContact CD2-CE2 4.46Å; F57-F79 AromaticContact CD2-CZ 3.84Å; F57-F79 HydrophobicContact CD2-CZ 3.84Å; F57-F79 HydrophobicContact CG-CE1 4.3Å; F77-F79 HydrophobicContact CB-CD2 4.44Å; F77-F79 HydrophobicContact CB-CE2 3.65Å; F77-F79 HydrophobicContact CB-CZ 4.35Å; F79-L95 CarbonylContact O-C 3.52Å; F79-L95 WeakPolarHBondContact O-CA 3.23Å; F79-K96 HydrophobicContact CB-CB 4.24Å; F79-K96 PolarHBondContact N-O 3.42Å; F79-K96 PolarHBondContact O-N 3.23Å; F79-F98 HydrophobicContact CD2-CD2 4.15Å; F79-F98 HydrophobicContact CD2-CE2 4.5Å; F79-F98 HydrophobicContact CE2-CD2 4.14Å |
| 80 | C | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 152.3 | 179.3 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | T55 A56 L58 Y87 C94 L95 F188 | T55-C80 CarbonylContact C-O 3.58Å; T55-C80 WeakPolarHBondContact CA-O 3.42Å; T55-C80 WeakPolarHBondContact CB-O 3.37Å; A56-C80 PolarHBondContact N-O 2.87Å; A56-C80 PolarHBondContact O-N 2.67Å; L58-C80 HydrophobicContact CD2-CB 4.47Å; C80-Y87 WeakPolarHBondContact CB-OH 3.31Å; C80-C94 CarbonylContact C-O 3.52Å; C80-L95 HydrophobicContact CB-CD2 3.49Å; C80-L95 VanDerWaalsContact CB-CD2 3.49Å; C80-F188 VanDerWaalsContact SG-CE2 3.58Å |
| 81 | C | 95.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | trans | -73 | 145.9 | 172.4 | -168.1 | 0 | 0 | 0 | 0 | 110.3 | C48 C51 T83 C86 Y87 C94 | C48-C81 HydrophobicContact CB-CB 3.98Å; C48-C81 VanDerWaalsContact SG-SG 3.63Å; C51-C81 PolarHBondContact SG-SG 3.12Å; C81-T83 VanDerWaalsContact SG-CB 3.6Å; C81-T83 PolarHBondContact SG-N 3.37Å; C81-T83 VanDerWaalsContact SG-N 3.38Å; C81-C86 HydrophobicContact CB-CB 4.27Å; C81-Y87 WeakPolarHBondContact O-CE2 3.43Å; C81-Y87 VanDerWaalsContact O-CZ 3.32Å; C81-Y87 PolarHBondContact O-OH 2.9Å; C81-C94 HydrophobicContact CB-CB 3.85Å; C81-C94 PolarHBondContact N-O 3.35Å | ||
| 82 | K | 91.8 | Very high | 94.5 | Very high | 58 Ų | 58 | 31 Ų | 31 | 25% | 0.252 | 16% | 0.157 | S | C | . | . | trans | -96.6 | 5.4 | 171.4 | -63.1 | -169.1 | 74 | 171.2 | 0 | 113.6 | A56 P185 F186 F188 I313 | A56-K82 HydrophobicContact CB-CD 3.87Å; A56-K82 HydrophobicContact CB-CG 3.86Å; K82-P185 PolarHBondContact NZ-O 3.21Å; K82-F186 HydrophobicContact CD-CD2 4.34Å; K82-F186 WeakPolarHBondContact CD-O 3.43Å; K82-F186 PolarHBondContact NZ-O 2.95Å; K82-F188 HydrophobicContact CD-CE1 4.43Å; K82-F188 HydrophobicContact CD-CZ 4.2Å; K82-F188 HydrophobicContact CG-CZ 4.08Å; K82-I313 HydrophobicContact CG-CD1 4.4Å | ||
| 83 | T | 91.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 34 Ų | 34 | 23% | 0.233 | 17% | 0.166 | C | C | . | . | trans | -88.1 | 118.8 | 178.1 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | C81 D85 C86 Y87 | C81-T83 VanDerWaalsContact SG-CB 3.6Å; C81-T83 PolarHBondContact SG-N 3.37Å; C81-T83 VanDerWaalsContact SG-N 3.38Å; T83-D85 HydrophobicContact CG2-CB 4.49Å; T83-D85 PolarHBondContact O-N 2.84Å; T83-C86 VanDerWaalsContact O-CB 3.3Å; T83-C86 WeakPolarHBondContact O-CB 3.27Å; T83-C86 PolarHBondContact O-N 2.93Å; T83-C86 VanDerWaalsContact O-N 3.11Å; T83-Y87 WeakPolarHBondContact O-CD2 3.4Å | ||
| 84 | P | 88.6 | Confident | 94.7 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 20% | 0.201 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -51.1 | -49.5 | -179.7 | -27.1 | 31.3 | 0 | 0 | 0 | 114.1 | C86 Y87 D310 S312 | P84-C86 PolarHBondContact O-N 3.09Å; P84-Y87 WeakPolarHBondContact O-CB 3.12Å; P84-Y87 PolarHBondContact O-N 3.3Å; P84-D310 WeakPolarHBondContact CG-O 3.41Å; P84-S312 WeakPolarHBondContact CB-OG 3.04Å |
| 85 | D | 90.5 | Very high | 94.7 | Very high | 148 Ų | 148 | 34.2 Ų | 34.2 | 79% | 0.791 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -62 | -12.6 | -175.4 | -58.9 | -18.8 | 0 | 0 | 0 | 113.1 | T83 Y87 | T83-D85 HydrophobicContact CG2-CB 4.49Å; T83-D85 PolarHBondContact O-N 2.84Å; D85-Y87 VanDerWaalsContact C-N 3.34Å |
| 86 | C | 93.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -80.1 | -14 | 174.4 | -65.2 | 0 | 0 | 0 | 0 | 113.2 | K50 C81 T83 P84 S88 C94 | K50-C86 HydrophobicContact CB-CB 4.37Å; K50-C86 HydrophobicContact CD-CB 4.04Å; K50-C86 VanDerWaalsContact CD-O 3.26Å; K50-C86 WeakPolarHBondContact CD-O 3.47Å; K50-C86 WeakPolarHBondContact CE-O 3.17Å; K50-C86 PolarHBondContact NZ-O 2.91Å; C81-C86 HydrophobicContact CB-CB 4.27Å; T83-C86 VanDerWaalsContact O-CB 3.3Å; T83-C86 WeakPolarHBondContact O-CB 3.27Å; T83-C86 PolarHBondContact O-N 2.93Å; T83-C86 VanDerWaalsContact O-N 3.11Å; P84-C86 PolarHBondContact O-N 3.09Å; C86-S88 VanDerWaalsContact C-N 3.32Å; C86-S88 PolarHBondContact O-N 2.66Å; C86-C94 HydrophobicContact CB-CB 3.79Å |
| 87 | Y | 92.1 | Very high | 94.7 | Very high | 27 Ų | 27 | 36.9 Ų | 36.9 | 11% | 0.106 | 18% | 0.179 | C | C | . | . | trans | -91.3 | 58.4 | -180 | -70.2 | -95.1 | 0 | 0 | 0 | 111.9 | C80 C81 T83 P84 D85 I313 D314 W315 | C80-Y87 WeakPolarHBondContact CB-OH 3.31Å; C81-Y87 WeakPolarHBondContact O-CE2 3.43Å; C81-Y87 VanDerWaalsContact O-CZ 3.32Å; C81-Y87 PolarHBondContact O-OH 2.9Å; T83-Y87 WeakPolarHBondContact O-CD2 3.4Å; P84-Y87 WeakPolarHBondContact O-CB 3.12Å; P84-Y87 PolarHBondContact O-N 3.3Å; D85-Y87 VanDerWaalsContact C-N 3.34Å; Y87-I313 HydrophobicContact CE1-CG2 3.8Å; Y87-I313 HydrophobicContact CE2-CB 4.31Å; Y87-I313 HydrophobicContact CE2-CG1 3.83Å; Y87-I313 HydrophobicContact CE2-CG2 4.31Å; Y87-D314 WeakPolarHBondContact CD1-O 3.34Å; Y87-W315 HydrophobicContact CE1-CE3 4.4Å | ||
| 88 | S | 91.8 | Very high | 94.7 | Very high | 50 Ų | 50 | 37 Ų | 37 | 35% | 0.35 | 18% | 0.18 | S | C | . | . | trans | -68.9 | 153.2 | 167.9 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | K50 C86 N90 D91 | K50-S88 PolarHBondContact NZ-OG 2.98Å; C86-S88 VanDerWaalsContact C-N 3.32Å; C86-S88 PolarHBondContact O-N 2.66Å; S88-N90 PolarHBondContact O-N 3.2Å; S88-D91 PolarHBondContact O-N 2.71Å; S88-D91 WeakPolarHBondContact OG-CB 3.47Å; S88-D91 PolarHBondContact OG-OD2 3.1Å | ||
| 89 | R | 91.6 | Very high | 94.6 | Very high | 123 Ų | 123 | 37 Ų | 37 | 46% | 0.464 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 129.3 | 179.9 | -169.6 | 170.8 | 178.4 | -160.7 | -8.2 | 111.7 | D91 E273 D342 | R89-D91 PolarHBondContact O-N 3.35Å; R89-E273 IonicContact NH2-OE2 2.99Å; R89-E273 PolarHBondContact NH2-OE2 2.89Å; R89-D342 VanDerWaalsContact CA-OD2 3.25Å; R89-D342 WeakPolarHBondContact CA-OD2 3.21Å; R89-D342 HydrophobicContact CG-CB 4.4Å |
| 90 | N | 92.4 | Very high | 94.6 | Very high | 35 Ų | 35 | 37 Ų | 37 | 19% | 0.187 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 35.5 | 170 | -73.9 | -20.6 | 0 | 0 | 0 | 113.6 | S88 H274 Q341 D342 | S88-N90 PolarHBondContact O-N 3.2Å; N90-H274 HydrophobicContact CB-CB 4.41Å; N90-H274 WeakPolarHBondContact CB-CD2 3.45Å; N90-H274 WeakPolarHBondContact CB-NE2 3.49Å; N90-H274 VanDerWaalsContact CG-CG 3.41Å; N90-H274 WeakPolarHBondContact ND2-CB 3.33Å; N90-H274 PolarHBondContact O-CE1 2.71Å; N90-H274 PolarHBondContact O-NE2 3.36Å; N90-H274 PolarHBondContact OD1-CD2 3.21Å; N90-Q341 WeakPolarHBondContact OD1-CA 3.45Å; N90-D342 PolarHBondContact N-OD2 3.43Å; N90-D342 PolarHBondContact OD1-N 2.96Å |
| 91 | D | 93.6 | Very high | 94.5 | Very high | 23 Ų | 23 | 37.7 Ų | 37.7 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | trans | -126.9 | 119.9 | -177.9 | -172.7 | -17.1 | 0 | 0 | 0 | 111.5 | K50 S88 R89 R93 K340 | K50-D91 VanDerWaalsContact CE-CG 3.4Å; K50-D91 WeakPolarHBondContact CE-OD2 3.33Å; K50-D91 VanDerWaalsContact NZ-CG 3.3Å; K50-D91 IonicContact NZ-OD1 3.1Å; K50-D91 IonicContact NZ-OD2 3.88Å; K50-D91 PolarHBondContact NZ-OD2 2.72Å; S88-D91 PolarHBondContact O-N 2.71Å; S88-D91 WeakPolarHBondContact OG-CB 3.47Å; S88-D91 PolarHBondContact OG-OD2 3.1Å; R89-D91 PolarHBondContact O-N 3.35Å; D91-R93 VanDerWaalsContact OD1-CB 3.27Å; D91-R93 WeakPolarHBondContact OD1-CB 3.38Å; D91-R93 WeakPolarHBondContact OD1-CG 3.32Å; D91-R93 PolarHBondContact OD1-N 2.54Å; D91-R93 IonicContact OD1-NE 3.73Å; D91-R93 PolarHBondContact OD1-NE 3.44Å; D91-R93 VanDerWaalsContact OD1-NE 3.09Å; D91-R93 IonicContact OD2-CZ 2.75Å; D91-R93 IonicContact OD2-NE 3.09Å; D91-R93 PolarHBondContact OD2-NE 2.88Å; D91-R93 IonicContact OD2-NH2 2.63Å; D91-R93 PolarHBondContact OD2-NH2 3.48Å; D91-K340 WeakPolarHBondContact O-CD 2.98Å | ||
| 92 | S | 95.5 | Very high | 94.6 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 17% | 0.168 | 18% | 0.182 | C | C | . | . | trans | -95 | 2 | -174.7 | -51.3 | 0 | 0 | 0 | 0 | 113.8 | C94 L95 I338 K340 | S92-C94 PolarHBondContact O-N 3.19Å; S92-C94 VanDerWaalsContact O-N 3.11Å; S92-L95 WeakPolarHBondContact O-CB 3.45Å; S92-L95 PolarHBondContact O-N 3.18Å; S92-I338 WeakPolarHBondContact CB-O 3.42Å; S92-I338 PolarHBondContact OG-O 2.88Å; S92-K340 WeakPolarHBondContact OG-CB 2.9Å; S92-K340 PolarHBondContact OG-N 3.14Å | ||
| 93 | R | 96.4 | Very high | 94.7 | Very high | 149 Ų | 149 | 35.5 Ų | 35.5 | 56% | 0.562 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.3 | -174.8 | -71.5 | 179.1 | -69.3 | 174.7 | -3.4 | 114.4 | G49 K50 D91 L95 | G49-R93 WeakPolarHBondContact CA-O 3.4Å; G49-R93 PolarHBondContact N-O 2.85Å; K50-R93 HydrophobicContact CG-CB 4.17Å; D91-R93 VanDerWaalsContact OD1-CB 3.27Å; D91-R93 WeakPolarHBondContact OD1-CB 3.38Å; D91-R93 WeakPolarHBondContact OD1-CG 3.32Å; D91-R93 PolarHBondContact OD1-N 2.54Å; D91-R93 IonicContact OD1-NE 3.73Å; D91-R93 PolarHBondContact OD1-NE 3.44Å; D91-R93 VanDerWaalsContact OD1-NE 3.09Å; D91-R93 IonicContact OD2-CZ 2.75Å; D91-R93 IonicContact OD2-NE 3.09Å; D91-R93 PolarHBondContact OD2-NE 2.88Å; D91-R93 IonicContact OD2-NH2 2.63Å; D91-R93 PolarHBondContact OD2-NH2 3.48Å; R93-L95 VanDerWaalsContact C-N 3.28Å |
| 94 | C | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.3 | 174.6 | 65.9 | 0 | 0 | 0 | 0 | 113.6 | C80 C81 C86 S92 | C80-C94 CarbonylContact C-O 3.52Å; C81-C94 HydrophobicContact CB-CB 3.85Å; C81-C94 PolarHBondContact N-O 3.35Å; C86-C94 HydrophobicContact CB-CB 3.79Å; S92-C94 PolarHBondContact O-N 3.19Å; S92-C94 VanDerWaalsContact O-N 3.11Å |
| 95 | L | 97.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.1 | -179.5 | -57.8 | 165.5 | 0 | 0 | 0 | 110.1 | F79 C80 S92 R93 L318 I338 K340 | F79-L95 CarbonylContact O-C 3.52Å; F79-L95 WeakPolarHBondContact O-CA 3.23Å; C80-L95 HydrophobicContact CB-CD2 3.49Å; C80-L95 VanDerWaalsContact CB-CD2 3.49Å; S92-L95 WeakPolarHBondContact O-CB 3.45Å; S92-L95 PolarHBondContact O-N 3.18Å; R93-L95 VanDerWaalsContact C-N 3.28Å; L95-L318 HydrophobicContact CD1-CD1 4.22Å; L95-L318 HydrophobicContact CD1-CD2 3.66Å; L95-L318 HydrophobicContact CD2-CD1 4.37Å; L95-I338 HydrophobicContact CB-CD1 4.17Å; L95-I338 HydrophobicContact CB-CG2 3.73Å; L95-I338 HydrophobicContact CD1-CD1 3.94Å; L95-I338 HydrophobicContact CD1-CG1 4.21Å; L95-I338 HydrophobicContact CD1-CG2 4.45Å; L95-K340 HydrophobicContact CD1-CB 4.12Å; L95-K340 HydrophobicContact CD1-CD 4.34Å |
| 96 | K | 98.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 38 Ų | 38 | 24% | 0.243 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 142.5 | 173.2 | -56.5 | -71 | -178.8 | 169 | 0 | 109.7 | E47 T55 V78 F79 F98 | E47-K96 WeakPolarHBondContact O-CE 3.44Å; E47-K96 PolarHBondContact O-NZ 3.49Å; T55-K96 HydrophobicContact CG2-CG 4.35Å; V78-K96 WeakPolarHBondContact CA-O 3.45Å; F79-K96 HydrophobicContact CB-CB 4.24Å; F79-K96 PolarHBondContact N-O 3.42Å; F79-K96 PolarHBondContact O-N 3.23Å; K96-F98 HydrophobicContact CB-CD2 4.48Å; K96-F98 HydrophobicContact CB-CE2 3.77Å |
| 97 | V | 98.5 | Very high | 95 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 136.4 | 173.4 | -176 | 0 | 0 | 0 | 0 | 110.2 | I76 F77 V78 V320 E336 I338 | I76-V97 HydrophobicContact CG2-CG1 3.56Å; F77-V97 CarbonylContact O-C 3.49Å; F77-V97 VanDerWaalsContact O-CA 3.25Å; F77-V97 WeakPolarHBondContact O-CA 3.36Å; F77-V97 WeakPolarHBondContact O-CG1 3.23Å; V78-V97 HydrophobicContact CG1-CG2 4.21Å; V78-V97 HydrophobicContact CG2-CG2 4.16Å; V97-V320 HydrophobicContact CG1-CG1 3.84Å; V97-V320 HydrophobicContact CG2-CG2 4.35Å; V97-E336 HydrophobicContact CB-CB 4.24Å; V97-E336 HydrophobicContact CG1-CB 3.86Å; V97-E336 PolarHBondContact O-N 2.89Å; V97-I338 HydrophobicContact CG2-CB 3.61Å; V97-I338 HydrophobicContact CG2-CD1 3.74Å; V97-I338 HydrophobicContact CG2-CG1 4.23Å; V97-I338 HydrophobicContact CG2-CG2 3.94Å |
| 98 | F | 98.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.7 | 175.4 | -63.7 | -88.2 | 0 | 0 | 0 | 110.6 | P41 E45 L46 I76 F77 F79 K96 Y333 S334 | P41-F98 HydrophobicContact CB-CE1 4.2Å; P41-F98 HydrophobicContact CB-CZ 4.22Å; P41-F98 HydrophobicContact CG-CD1 3.88Å; P41-F98 HydrophobicContact CG-CD2 4.44Å; P41-F98 HydrophobicContact CG-CE1 4.05Å; P41-F98 HydrophobicContact CG-CG 4.08Å; P41-F98 HydrophobicContact CG-CZ 4.42Å; E45-F98 HydrophobicContact CB-CE1 4.33Å; E45-F98 HydrophobicContact CB-CZ 3.99Å; L46-F98 HydrophobicContact CD2-CD2 4.16Å; L46-F98 HydrophobicContact CD2-CE2 3.54Å; L46-F98 HydrophobicContact CD2-CZ 4.27Å; I76-F98 CarbonylContact C-O 3.58Å; I76-F98 WeakPolarHBondContact CA-O 3.22Å; F77-F98 PolarHBondContact N-O 3.36Å; F77-F98 PolarHBondContact O-N 3.13Å; F79-F98 HydrophobicContact CD2-CD2 4.15Å; F79-F98 HydrophobicContact CD2-CE2 4.5Å; F79-F98 HydrophobicContact CE2-CD2 4.14Å; K96-F98 HydrophobicContact CB-CD2 4.48Å; K96-F98 HydrophobicContact CB-CE2 3.77Å; F98-Y333 HydrophobicContact CB-CD1 4.18Å; F98-S334 CarbonylContact C-O 3.26Å; F98-S334 VanDerWaalsContact CA-O 3.27Å; F98-S334 WeakPolarHBondContact CA-O 3.3Å |
| 99 | R | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.3 | 172.5 | 175.6 | -161.7 | 60.8 | 146.8 | 3.9 | 109 | R74 T75 I76 Q101 S326 C327 Y333 S334 E336 | R74-R99 HydrophobicContact CG-CG 4.4Å; T75-R99 WeakPolarHBondContact O-CA 3.41Å; I76-R99 HydrophobicContact CG1-CB 4.45Å; I76-R99 HydrophobicContact CG1-CG 4.37Å; R99-Q101 HydrophobicContact CG-CG 4.11Å; R99-Q101 VanDerWaalsContact CZ-NE2 3.3Å; R99-S326 PolarHBondContact NH1-O 3.48Å; R99-S326 PolarHBondContact NH1-OG 2.89Å; R99-C327 VanDerWaalsContact NH1-N 3.19Å; R99-C327 PolarHBondContact NH1-O 3.23Å; R99-C327 PolarHBondContact NH2-O 3.44Å; R99-C327 PolarHBondContact NH2-SG 3.1Å; R99-Y333 WeakPolarHBondContact O-CA 3.42Å; R99-S334 PolarHBondContact N-O 3.3Å; R99-S334 PolarHBondContact NH2-OG 3.07Å; R99-S334 PolarHBondContact O-N 2.67Å; R99-E336 HydrophobicContact CB-CG 3.63Å; R99-E336 WeakPolarHBondContact CD-OE1 3.13Å; R99-E336 IonicContact CZ-OE1 2.69Å; R99-E336 IonicContact NE-OE1 3.81Å; R99-E336 PolarHBondContact NE-OE1 2.65Å; R99-E336 IonicContact NH2-OE1 3.89Å |
| 100 | S | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.4 | 170.5 | -170 | 0 | 0 | 0 | 0 | 109.5 | L35 R74 T75 Y333 | L35-S100 WeakPolarHBondContact CD2-O 3.24Å; R74-S100 WeakPolarHBondContact CA-O 3.38Å; T75-S100 PolarHBondContact N-O 2.99Å; T75-S100 PolarHBondContact O-N 3.19Å; S100-Y333 VanDerWaalsContact CB-CE1 3.46Å |
| 101 | Q | 96.2 | Very high | 94.3 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142.9 | -177.8 | -56.3 | -174.6 | 101.3 | 0 | 0 | 110.5 | R70 H73 R74 R99 S326 C327 | R70-Q101 WeakPolarHBondContact O-CB 3.43Å; H73-Q101 CarbonylContact O-C 3.35Å; H73-Q101 VanDerWaalsContact O-CA 3.22Å; H73-Q101 WeakPolarHBondContact O-CA 3.26Å; R74-Q101 HydrophobicContact CB-CG 4.14Å; R74-Q101 HydrophobicContact CG-CG 3.91Å; R99-Q101 HydrophobicContact CG-CG 4.11Å; R99-Q101 VanDerWaalsContact CZ-NE2 3.3Å; Q101-S326 VanDerWaalsContact CD-OG 3.32Å; Q101-S326 PolarHBondContact NE2-O 2.87Å; Q101-S326 PolarHBondContact OE1-OG 3.16Å; Q101-C327 PolarHBondContact NE2-O 3.05Å; Q101-C327 VanDerWaalsContact NE2-O 3.11Å |
| 102 | L | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 142.2 | 173.7 | -61.2 | 171.4 | 0 | 0 | 0 | 110 | L35 R70 H73 N106 F108 Y109 | L35-L102 HydrophobicContact CD1-CD1 3.94Å; L35-L102 HydrophobicContact CD2-CD1 4.38Å; L35-L102 HydrophobicContact CD2-CG 4.23Å; L35-L102 HydrophobicContact CG-CD1 3.71Å; L35-L102 HydrophobicContact CG-CG 4.06Å; R70-L102 CarbonylContact O-C 3.49Å; R70-L102 PolarHBondContact O-N 3.23Å; H73-L102 HydrophobicContact CB-CB 4.23Å; H73-L102 PolarHBondContact N-O 3.47Å; H73-L102 PolarHBondContact O-N 3.08Å; L102-N106 HydrophobicContact CB-CB 4.28Å; L102-F108 HydrophobicContact CD1-CD2 3.62Å; L102-F108 HydrophobicContact CD1-CE2 4.28Å; L102-F108 HydrophobicContact CD2-CD2 3.81Å; L102-F108 HydrophobicContact CD2-CE2 3.66Å; L102-F108 HydrophobicContact CG-CD2 4.38Å; L102-Y109 HydrophobicContact CD1-CD2 3.97Å; L102-Y109 HydrophobicContact CD1-CE2 3.73Å |
| 103 | P | 95.5 | Very high | 93.3 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | trans | -66.3 | 164.8 | 167.1 | 30.5 | -34.9 | 0 | 0 | 0 | 111.5 | D69 R105 N106 | D69-P103 VanDerWaalsContact O-CA 3.28Å; D69-P103 WeakPolarHBondContact O-CA 3.2Å; P103-R105 VanDerWaalsContact C-N 3.27Å; P103-R105 WeakPolarHBondContact CG-O 2.9Å; P103-R105 PolarHBondContact O-N 2.99Å; P103-N106 PolarHBondContact O-ND2 3.41Å | ||
| 104 | R | 93.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 49.5 Ų | 49.5 | 16% | 0.162 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -56.2 | -43.6 | 178.3 | 179.5 | 51.1 | 170.6 | -177.4 | -6 | 112 | F72 H73 N106 Y111 | F72-R104 HydrophobicContact CB-CB 4.21Å; F72-R104 HydrophobicContact CD1-CB 4.01Å; F72-R104 HydrophobicContact CD1-CG 4.4Å; F72-R104 HydrophobicContact CD2-CB 3.82Å; F72-R104 HydrophobicContact CD2-CG 4.38Å; F72-R104 HydrophobicContact CE1-CB 4.46Å; F72-R104 VanDerWaalsContact CE1-CD 3.4Å; F72-R104 HydrophobicContact CE1-CG 4.38Å; F72-R104 HydrophobicContact CE2-CB 4.22Å; F72-R104 HydrophobicContact CE2-CG 4.28Å; F72-R104 HydrophobicContact CG-CB 3.7Å; F72-R104 HydrophobicContact CG-CG 4.44Å; F72-R104 HydrophobicContact CZ-CG 4.3Å; H73-R104 PolarHBondContact CE1-NH1 2.67Å; H73-R104 PolarHBondContact NE2-NH1 3.13Å; R104-N106 PolarHBondContact O-ND2 2.92Å; R104-Y111 HydrophobicContact CG-CD2 3.87Å; R104-Y111 HydrophobicContact CG-CE2 3.52Å; R104-Y111 PolarHBondContact NE-O 3Å; R104-Y111 PolarHBondContact NH2-O 3.05Å |
| 105 | R | 93.7 | Very high | 91.2 | Very high | 199 Ų | 199 | 52.9 Ų | 52.9 | 75% | 0.751 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -90.8 | 108 | 172.9 | -71.8 | -179.2 | 177.7 | -161.3 | 0.9 | 108.9 | P103 Y111 | P103-R105 VanDerWaalsContact C-N 3.27Å; P103-R105 WeakPolarHBondContact CG-O 2.9Å; P103-R105 PolarHBondContact O-N 2.99Å; R105-Y111 HydrophobicContact CG-CD2 3.59Å; R105-Y111 HydrophobicContact CG-CE2 3.75Å |
| 106 | N | 92.2 | Very high | 89.8 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | trans | -141.4 | 171.4 | 179.5 | 64.5 | 78.2 | 0 | 0 | 0 | 110.8 | L102 P103 R104 F108 Y109 | L102-N106 HydrophobicContact CB-CB 4.28Å; P103-N106 PolarHBondContact O-ND2 3.41Å; R104-N106 PolarHBondContact O-ND2 2.92Å; N106-F108 VanDerWaalsContact C-N 3.32Å; N106-F108 PolarHBondContact O-N 3.27Å; N106-F108 PolarHBondContact OD1-N 3Å; N106-Y109 PolarHBondContact OD1-N 3.06Å | ||
| 107 | D | 89.4 | Confident | 88.3 | Confident | 147 Ų | 147 | 65 Ų | 65 | 79% | 0.786 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -83.8 | -6 | -174.1 | -58.6 | -35.2 | 0 | 0 | 0 | 113.8 | ||
| 108 | F | 88.9 | Confident | 86.2 | Confident | 29 Ų | 29 | 69.6 Ų | 69.6 | 13% | 0.127 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -105.8 | -33.2 | -168 | -52.9 | -57.9 | 0 | 0 | 0 | 113.3 | Q37 L38 L102 N106 N331 | Q37-F108 HydrophobicContact CB-CD1 3.58Å; Q37-F108 HydrophobicContact CB-CE1 3.69Å; Q37-F108 HydrophobicContact CB-CG 4.33Å; Q37-F108 HydrophobicContact CG-CB 3.95Å; Q37-F108 HydrophobicContact CG-CD1 3.44Å; Q37-F108 VanDerWaalsContact CG-CD1 3.44Å; Q37-F108 HydrophobicContact CG-CE1 4.07Å; Q37-F108 HydrophobicContact CG-CG 3.77Å; L38-F108 HydrophobicContact CB-CZ 4.24Å; L38-F108 HydrophobicContact CD1-CE1 4.03Å; L38-F108 HydrophobicContact CD1-CZ 3.84Å; L38-F108 HydrophobicContact CG-CE1 3.86Å; L38-F108 HydrophobicContact CG-CZ 3.85Å; L102-F108 HydrophobicContact CD1-CD2 3.62Å; L102-F108 HydrophobicContact CD1-CE2 4.28Å; L102-F108 HydrophobicContact CD2-CD2 3.81Å; L102-F108 HydrophobicContact CD2-CE2 3.66Å; L102-F108 HydrophobicContact CG-CD2 4.38Å; N106-F108 VanDerWaalsContact C-N 3.32Å; N106-F108 PolarHBondContact O-N 3.27Å; N106-F108 PolarHBondContact OD1-N 3Å; F108-N331 HydrophobicContact CZ-CB 4.49Å |
| 109 | Y | 89.9 | Confident | 84.3 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 7% | 0.071 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -128.9 | 146.7 | -172.5 | -56.4 | -74.8 | 0 | 0 | 0 | 111.9 | S21 H22 F24 W34 L35 L102 N106 | S21-Y109 WeakPolarHBondContact CB-OH 3.25Å; S21-Y109 WeakPolarHBondContact O-CE1 3.27Å; S21-Y109 PolarHBondContact O-OH 2.99Å; H22-Y109 HydrophobicContact CB-CD1 4.27Å; H22-Y109 HydrophobicContact CB-CE1 4.18Å; F24-Y109 HydrophobicContact CE1-CD1 4.09Å; F24-Y109 AromaticContact CE1-CD2 3.67Å; F24-Y109 HydrophobicContact CE1-CD2 3.67Å; F24-Y109 HydrophobicContact CE1-CE1 4.08Å; F24-Y109 AromaticContact CE1-CE2 3.66Å; F24-Y109 HydrophobicContact CE1-CE2 3.66Å; F24-Y109 AromaticContact CE1-CG 3.86Å; F24-Y109 HydrophobicContact CE1-CG 3.86Å; F24-Y109 AromaticContact CE1-CZ 3.83Å; F24-Y109 AromaticContact CZ-CD1 3.76Å; F24-Y109 HydrophobicContact CZ-CD1 3.76Å; F24-Y109 AromaticContact CZ-CD2 3.82Å; F24-Y109 HydrophobicContact CZ-CD2 3.82Å; F24-Y109 HydrophobicContact CZ-CE1 4.17Å; F24-Y109 HydrophobicContact CZ-CE2 4.22Å; F24-Y109 AromaticContact CZ-CG 3.54Å; F24-Y109 HydrophobicContact CZ-CG 3.54Å; W34-Y109 PolarHBondContact O-OH 2.86Å; L35-Y109 WeakPolarHBondContact CA-OH 3.15Å; L35-Y109 HydrophobicContact CD1-CE2 3.85Å; L35-Y109 WeakPolarHBondContact O-CE2 3.48Å; L35-Y109 PolarHBondContact O-OH 2.83Å; L102-Y109 HydrophobicContact CD1-CD2 3.97Å; L102-Y109 HydrophobicContact CD1-CE2 3.73Å; N106-Y109 PolarHBondContact OD1-N 3.06Å |
| 110 | P | 87.8 | Confident | 82.2 | Confident | 97 Ų | 97 | 80 Ų | 80 | 63% | 0.63 | 42% | 0.417 | S | S | * | . | trans | -60.6 | 153.7 | 173.5 | -21.3 | 33.2 | 0 | 0 | 0 | 112.7 | N112 | P110-N112 PolarHBondContact O-N 2.83Š| ||
| 111 | Y | 88.1 | Confident | 80.2 | Confident | 124 Ų | 124 | 85.9 Ų | 85.9 | 49% | 0.486 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -67.7 | -24.2 | 175.9 | -173.9 | -90.5 | 0 | 0 | 0 | 113.3 | R104 R105 | R104-Y111 HydrophobicContact CG-CD2 3.87Å; R104-Y111 HydrophobicContact CG-CE2 3.52Å; R104-Y111 PolarHBondContact NE-O 3Å; R104-Y111 PolarHBondContact NH2-O 3.05Å; R105-Y111 HydrophobicContact CG-CD2 3.59Å; R105-Y111 HydrophobicContact CG-CE2 3.75Å |
| 112 | N | 86.3 | Confident | 77.9 | Confident | 113 Ų | 113 | 90.4 Ų | 90.4 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -104.4 | 146.2 | 177.3 | -66.4 | -32.6 | 0 | 0 | 0 | 109.3 | P110 | P110-N112 PolarHBondContact O-N 2.83Š|
| 113 | P | 80.4 | Confident | 75.6 | Confident | 96 Ų | 96 | 99.5 Ų | 99.5 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 152.9 | 176.6 | 28.4 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 114 | P | 75.5 | Confident | 73.5 | Confident | 52 Ų | 52 | 105.8 Ų | 105.8 | 34% | 0.338 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 159.5 | 168.1 | 28 | -32.7 | 0 | 0 | 0 | 110.8 | ||
| 115 | S | 73.1 | Confident | 71.3 | Confident | 71 Ų | 71 | 108.4 Ų | 108.4 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 140.4 | 172.6 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | E117 | S115-E117 PolarHBondContact O-N 2.87Å; S115-E117 PolarHBondContact OG-N 2.82Å |
| 116 | D | 69.3 | Low | 69.3 | Low | 136 Ų | 136 | 103.8 Ų | 103.8 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.7 | 175.8 | -59.8 | -31.1 | 0 | 0 | 0 | 112.7 | ||
| 117 | E | 66.3 | Low | 67.1 | Low | 179 Ų | 179 | 104.7 Ų | 104.7 | 84% | 0.836 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -5.5 | -170.8 | -60.1 | -169.5 | 149 | 0 | 0 | 115.1 | S115 P119 | S115-E117 PolarHBondContact O-N 2.87Å; S115-E117 PolarHBondContact OG-N 2.82Å; E117-P119 VanDerWaalsContact O-CD 3.28Å; E117-P119 WeakPolarHBondContact O-CD 3.3Å |
| 118 | D | 54.8 | Low | 65.3 | Low | 98 Ų | 98 | 101.4 Ų | 101.4 | 52% | 0.524 | 54% | 0.539 | S | S | . | . | trans | -116.5 | 91.6 | -172.7 | -163.7 | -4 | 0 | 0 | 0 | 112.8 | N120 | D118-N120 PolarHBondContact O-N 2.69Å; D118-N120 WeakPolarHBondContact OD1-CA 3.4Å; D118-N120 WeakPolarHBondContact OD1-CB 3.39Å; D118-N120 PolarHBondContact OD1-N 2.84Å | ||
| 119 | P | 58.3 | Low | 64 | Low | 89 Ų | 89 | 101.1 Ų | 101.1 | 58% | 0.578 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -5.3 | 173.8 | 30.2 | -34.6 | 0 | 0 | 0 | 112.7 | E117 W121 | E117-P119 VanDerWaalsContact O-CD 3.28Å; E117-P119 WeakPolarHBondContact O-CD 3.3Å; P119-W121 PolarHBondContact O-N 2.93Å |
| 120 | N | 53.8 | Low | 62.5 | Low | 133 Ų | 133 | 104 Ų | 104 | 71% | 0.711 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | 18.7 | -170.8 | -136 | 10.9 | 0 | 0 | 0 | 112.9 | D118 T122 | D118-N120 PolarHBondContact O-N 2.69Å; D118-N120 WeakPolarHBondContact OD1-CA 3.4Å; D118-N120 WeakPolarHBondContact OD1-CB 3.39Å; D118-N120 PolarHBondContact OD1-N 2.84Å; N120-T122 VanDerWaalsContact C-N 3.31Å; N120-T122 PolarHBondContact O-N 2.87Å |
| 121 | W | 55.4 | Low | 61.4 | Low | 125 Ų | 125 | 101.5 Ų | 101.5 | 47% | 0.473 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -57.6 | 101.4 | 164.4 | -169.2 | 89.8 | 0 | 0 | 0 | 107.4 | P119 E123 R124 | P119-W121 PolarHBondContact O-N 2.93Å; W121-E123 PolarHBondContact O-N 3.04Å; W121-R124 VanDerWaalsContact CH2-NH2 3.31Å; W121-R124 HydrophobicContact CZ3-CB 4.37Å |
| 122 | T | 49.2 | Very low | 60.8 | Low | 108 Ų | 108 | 98.1 Ų | 98.1 | 66% | 0.663 | 55% | 0.548 | S | S | * | . | trans | -43 | 111.4 | -170.9 | 46.2 | 0 | 0 | 0 | 0 | 109.8 | N120 R124 | N120-T122 VanDerWaalsContact C-N 3.31Å; N120-T122 PolarHBondContact O-N 2.87Å; T122-R124 VanDerWaalsContact C-N 3.31Å; T122-R124 PolarHBondContact O-N 3.4Å | ||
| 123 | E | 47.2 | Very low | 60.7 | Low | 191 Ų | 191 | 94.8 Ų | 94.8 | 89% | 0.893 | 53% | 0.532 | S | S | * | . | trans | -49.5 | 95 | 178.7 | -68.1 | -178.7 | 158.7 | 0 | 0 | 108.9 | W121 | W121-E123 PolarHBondContact O-N 3.04Š| ||
| 124 | R | 51.6 | Low | 61.1 | Low | 146 Ų | 146 | 95.6 Ų | 95.6 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | trans | -68.5 | 136.8 | 163.8 | -73.9 | -164.8 | -78.8 | -117.3 | 12.1 | 106.1 | W121 T122 P126 | W121-R124 VanDerWaalsContact CH2-NH2 3.31Å; W121-R124 HydrophobicContact CZ3-CB 4.37Å; T122-R124 VanDerWaalsContact C-N 3.31Å; T122-R124 PolarHBondContact O-N 3.4Å; R124-P126 WeakPolarHBondContact O-CD 3.32Å | ||
| 125 | D | 46.6 | Very low | 61.9 | Low | 97 Ų | 97 | 94.1 Ų | 94.1 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | trans | -42.1 | 114.1 | -177.4 | -176.8 | -19 | 0 | 0 | 0 | 110.6 | C127 V128 | D125-C127 PolarHBondContact O-N 3.02Å; D125-C127 VanDerWaalsContact OD1-CB 3.32Å; D125-C127 WeakPolarHBondContact OD1-CB 3.26Å; D125-C127 PolarHBondContact OD1-N 3.15Å; D125-V128 PolarHBondContact O-N 3.07Å | ||
| 126 | P | 50.7 | Low | 62.8 | Low | 102 Ų | 102 | 90.8 Ų | 90.8 | 66% | 0.662 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -8.5 | -175.2 | 20.8 | -30.7 | 0 | 0 | 0 | 113.3 | R124 | R124-P126 WeakPolarHBondContact O-CD 3.32Š|
| 127 | C | 46.5 | Very low | 63.9 | Low | 48 Ų | 48 | 86 Ų | 86 | 32% | 0.324 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -9.9 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 114.5 | D125 L135 | D125-C127 PolarHBondContact O-N 3.02Å; D125-C127 VanDerWaalsContact OD1-CB 3.32Å; D125-C127 WeakPolarHBondContact OD1-CB 3.26Å; D125-C127 PolarHBondContact OD1-N 3.15Å; C127-L135 PolarHBondContact O-N 3.16Å; C127-L135 VanDerWaalsContact O-N 3.17Å |
| 128 | V | 50.8 | Low | 65.1 | Low | 78 Ų | 78 | 77.8 Ų | 77.8 | 47% | 0.473 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -122.8 | 107 | -178.1 | -174.8 | 0 | 0 | 0 | 0 | 110 | D125 | D125-V128 PolarHBondContact O-N 3.07Å |
| 129 | H | 61.9 | Low | 67 | Low | 23 Ų | 23 | 73.3 Ų | 73.3 | 11% | 0.106 | 40% | 0.402 | C | S | . | . | trans | -64.7 | 148.8 | 172.5 | -138.1 | -44.1 | 0 | 0 | 0 | 109.8 | Q37 S131 G132 V133 | Q37-H129 WeakPolarHBondContact CB-CE1 3.46Å; Q37-H129 VanDerWaalsContact CB-ND1 3.32Å; Q37-H129 WeakPolarHBondContact CB-ND1 3.13Å; Q37-H129 WeakPolarHBondContact CG-CE1 3.5Å; Q37-H129 WeakPolarHBondContact CG-ND1 3.47Å; Q37-H129 PolarHBondContact NE2-CE1 3.09Å; Q37-H129 PolarHBondContact OE1-CE1 3.36Å; Q37-H129 PolarHBondContact OE1-ND1 2.9Å; H129-S131 PolarHBondContact O-N 3.35Å; H129-G132 PolarHBondContact O-N 3.39Å; H129-V133 HydrophobicContact CB-CB 4.33Å; H129-V133 PolarHBondContact N-O 2.88Å | ||
| 130 | S | 59.8 | Low | 68.7 | Low | 79 Ų | 79 | 69.2 Ų | 69.2 | 55% | 0.552 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.3 | -179.9 | 82.8 | 0 | 0 | 0 | 0 | 113.9 | Q37 G132 | Q37-S130 PolarHBondContact OE1-OG 3.08Å; S130-G132 VanDerWaalsContact C-N 3.28Å; S130-G132 PolarHBondContact O-N 2.82Å |
| 131 | S | 64.5 | Low | 70.6 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.7 | 171.9 | 58.1 | 0 | 0 | 0 | 0 | 115.2 | Q37 H129 V133 | Q37-S131 WeakPolarHBondContact O-CB 3.22Å; Q37-S131 PolarHBondContact O-OG 2.86Å; H129-S131 PolarHBondContact O-N 3.35Å; S131-V133 VanDerWaalsContact C-N 3.3Å; S131-V133 WeakPolarHBondContact OG-CG2 3.29Å |
| 132 | G | 75.3 | Confident | 72.4 | Confident | 54 Ų | 54 | 58 Ų | 58 | 56% | 0.557 | 33% | 0.327 | S | S | * | . | trans | 82 | 2.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | H129 S130 K134 | H129-G132 PolarHBondContact O-N 3.39Å; S130-G132 VanDerWaalsContact C-N 3.28Å; S130-G132 PolarHBondContact O-N 2.82Å; G132-K134 PolarHBondContact O-N 2.85Å | ||
| 133 | V | 82.9 | Confident | 74.4 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 121.4 | 174 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | H129 S131 L135 P142 | H129-V133 HydrophobicContact CB-CB 4.33Å; H129-V133 PolarHBondContact N-O 2.88Å; S131-V133 VanDerWaalsContact C-N 3.3Å; S131-V133 WeakPolarHBondContact OG-CG2 3.29Å; V133-L135 HydrophobicContact CG1-CD2 4.06Å; V133-P142 HydrophobicContact CG1-CB 4.25Å; V133-P142 HydrophobicContact CG1-CG 4.49Å |
| 134 | K | 89.3 | Confident | 76.3 | Confident | 113 Ų | 113 | 52 Ų | 52 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -77.8 | 125 | 173.3 | -63.4 | -172.5 | -179.1 | -175 | 0 | 109.4 | G132 G143 S154 | G132-K134 PolarHBondContact O-N 2.85Å; K134-G143 WeakPolarHBondContact O-CA 3.36Å; K134-G143 PolarHBondContact O-N 3.28Å; K134-S154 WeakPolarHBondContact CD-OG 3.26Å |
| 135 | L | 91.9 | Very high | 78.1 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -93.2 | 153.2 | 179.5 | -58 | -178.3 | 0 | 0 | 0 | 111.5 | I40 C127 V133 K137 | I40-L135 HydrophobicContact CD1-CD2 4.47Å; C127-L135 PolarHBondContact O-N 3.16Å; C127-L135 VanDerWaalsContact O-N 3.17Å; V133-L135 HydrophobicContact CG1-CD2 4.06Å; L135-K137 PolarHBondContact O-N 3.38Å |
| 136 | C | 93.8 | Very high | 80.3 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -66.1 | 123.8 | 172.7 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | L138 C139 G140 C141 S154 C156 | C136-L138 PolarHBondContact O-N 3.4Å; C136-C139 VanDerWaalsContact CB-SG 3.56Å; C136-C139 PolarHBondContact O-N 2.92Å; C136-C139 VanDerWaalsContact SG-SG 3.62Å; C136-G140 WeakPolarHBondContact O-CA 3.4Å; C136-G140 PolarHBondContact O-N 3.11Å; C136-C141 WeakPolarHBondContact CB-O 3.47Å; C136-C141 PolarHBondContact N-O 2.96Å; C136-S154 CarbonylContact C-O 3.58Å; C136-S154 VanDerWaalsContact CA-O 3.28Å; C136-S154 WeakPolarHBondContact CA-O 3.45Å; C136-C156 HydrophobicContact CB-CB 4.1Å |
| 137 | K | 91.6 | Very high | 82.2 | Confident | 34 Ų | 34 | 43 Ų | 43 | 15% | 0.148 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -39.6 | 178.1 | 179.7 | 174.6 | 173.5 | -174.3 | 0 | 112.3 | K31 L135 V153 S154 Y155 E172 | K31-K137 VanDerWaalsContact CE-O 3.24Å; K31-K137 WeakPolarHBondContact CE-O 3.19Å; K31-K137 PolarHBondContact NZ-O 2.93Å; L135-K137 PolarHBondContact O-N 3.38Å; K137-V153 HydrophobicContact CD-CB 4.29Å; K137-V153 HydrophobicContact CD-CG1 3.86Å; K137-S154 PolarHBondContact N-O 3.32Å; K137-Y155 HydrophobicContact CB-CE1 4.26Å; K137-E172 IonicContact NZ-OE2 3.26Å; K137-E172 PolarHBondContact NZ-OE2 3.11Å |
| 138 | L | 92 | Very high | 84.3 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -47.4 | -174.9 | -170.4 | 67.3 | 0 | 0 | 0 | 113.5 | C136 H160 I163 D164 S184 F186 L187 | C136-L138 PolarHBondContact O-N 3.4Å; L138-H160 HydrophobicContact CB-CB 4.28Å; L138-H160 HydrophobicContact CD2-CB 3.76Å; L138-I163 HydrophobicContact CD1-CG2 4.4Å; L138-I163 HydrophobicContact CD2-CB 3.89Å; L138-I163 HydrophobicContact CD2-CD1 4.33Å; L138-I163 HydrophobicContact CD2-CG2 3.81Å; L138-D164 HydrophobicContact CD1-CB 4.44Å; L138-S184 VanDerWaalsContact CD1-OG 3.28Å; L138-S184 WeakPolarHBondContact CD1-OG 3.49Å; L138-F186 HydrophobicContact CD1-CB 4.24Å; L138-F186 HydrophobicContact CD2-CB 3.86Å; L138-F186 HydrophobicContact CD2-CD1 4.49Å; L138-F186 HydrophobicContact CD2-CG 4.14Å; L138-F186 HydrophobicContact CG-CB 3.97Å; L138-F186 HydrophobicContact CG-CD1 4.43Å; L138-F186 HydrophobicContact CG-CG 4.41Å; L138-L187 WeakPolarHBondContact O-CD2 3.49Å; L138-L187 WeakPolarHBondContact O-CG 3.31Å |
| 139 | C | 93.9 | Very high | 86.2 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.02 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -10.7 | -169.6 | 70.8 | 0 | 0 | 0 | 0 | 115.8 | P32 C136 C141 C156 H160 F186 | P32-C139 VanDerWaalsContact CD-O 3.31Å; P32-C139 WeakPolarHBondContact CD-O 3.45Å; C136-C139 VanDerWaalsContact CB-SG 3.56Å; C136-C139 PolarHBondContact O-N 2.92Å; C136-C139 VanDerWaalsContact SG-SG 3.62Å; C139-C141 VanDerWaalsContact C-N 3.25Å; C139-C141 PolarHBondContact O-N 2.89Å; C139-C141 PolarHBondContact SG-N 2.94Å; C139-C156 VanDerWaalsContact SG-SG 3.69Å; C139-H160 PolarHBondContact SG-CE1 2.95Å; C139-H160 PolarHBondContact SG-ND1 2.83Å; C139-F186 HydrophobicContact CB-CD1 3.96Å; C139-F186 HydrophobicContact CB-CE1 3.67Å |
| 140 | G | 93 | Very high | 87.5 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 76.2 | 1.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | W34 C136 | W34-G140 PolarHBondContact NE1-O 3.43Å; C136-G140 WeakPolarHBondContact O-CA 3.4Å; C136-G140 PolarHBondContact O-N 3.11Å |
| 141 | C | 94.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -80.5 | 162.2 | 172.3 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | L46 C136 C139 G143 | L46-C141 HydrophobicContact CD1-CB 3.98Å; C136-C141 WeakPolarHBondContact CB-O 3.47Å; C136-C141 PolarHBondContact N-O 2.96Å; C139-C141 VanDerWaalsContact C-N 3.25Å; C139-C141 PolarHBondContact O-N 2.89Å; C139-C141 PolarHBondContact SG-N 2.94Å; C141-G143 PolarHBondContact O-N 3.47Å |
| 142 | P | 93.6 | Very high | 90 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -53 | 123.4 | -179.4 | -29 | 37.5 | 0 | 0 | 0 | 113.5 | I40 P41 V133 C156 | I40-P142 HydrophobicContact CB-CG 3.65Å; I40-P142 HydrophobicContact CG2-CG 3.51Å; P41-P142 VanDerWaalsContact O-CD 3.31Å; P41-P142 WeakPolarHBondContact O-CD 3.34Å; V133-P142 HydrophobicContact CG1-CB 4.25Å; V133-P142 HydrophobicContact CG1-CG 4.49Å; P142-C156 VanDerWaalsContact O-CB 3.23Å; P142-C156 WeakPolarHBondContact O-CB 3.28Å |
| 143 | G | 90.2 | Very high | 90.6 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | trans | -100.7 | 112.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K134 C141 Y155 | K134-G143 WeakPolarHBondContact O-CA 3.36Å; K134-G143 PolarHBondContact O-N 3.28Å; C141-G143 PolarHBondContact O-N 3.47Å; G143-Y155 CarbonylContact C-O 3.54Å; G143-Y155 WeakPolarHBondContact CA-O 3.36Å | ||
| 144 | Q | 87.3 | Confident | 91.1 | Very high | 161 Ų | 161 | 49.2 Ų | 49.2 | 75% | 0.752 | 27% | 0.265 | S | S | * | . | trans | -96.8 | -16.9 | 178.6 | -63.4 | 179.4 | -3.8 | 0 | 0 | 113 | Y155 | Q144-Y155 PolarHBondContact N-O 2.96Å; Q144-Y155 VanDerWaalsContact N-O 3.15Å | ||
| 145 | K | 89.8 | Confident | 91.4 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 42% | 0.422 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.4 | -176.1 | -61.1 | 177.8 | -175.8 | 174.7 | 0 | 109.7 | S154 Y155 | K145-S154 CarbonylContact O-C 3.43Å; K145-S154 VanDerWaalsContact O-CA 3.27Å; K145-S154 WeakPolarHBondContact O-CA 3.14Å; K145-Y155 PolarHBondContact N-O 2.71Å; K145-Y155 PolarHBondContact O-N 3.2Å |
| 146 | V | 92.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 150 | 174.1 | -64.5 | 0 | 0 | 0 | 0 | 111 | S148 V153 | V146-S148 PolarHBondContact O-N 3.24Å; V146-V153 WeakPolarHBondContact CA-O 3.48Å |
| 147 | C | 92 | Very high | 91.6 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | trans | -59.3 | 122.3 | 171.3 | 178.8 | 0 | 0 | 0 | 0 | 110 | K149 H151 V153 Y155 H169 | C147-K149 PolarHBondContact O-N 2.75Å; C147-K149 VanDerWaalsContact O-N 3.14Å; C147-H151 WeakPolarHBondContact O-CA 3.38Å; C147-H151 PolarHBondContact O-N 2.63Å; C147-V153 HydrophobicContact CB-CG2 3.65Å; C147-V153 PolarHBondContact N-O 3.41Å; C147-Y155 HydrophobicContact CB-CE2 4.32Å; C147-H169 PolarHBondContact SG-NE2 2.95Å | ||
| 148 | S | 90.8 | Very high | 91.7 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 65% | 0.65 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -8.6 | -178.1 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | V146 H151 | V146-S148 PolarHBondContact O-N 3.24Å; S148-H151 PolarHBondContact O-NE2 3.46Å |
| 149 | K | 90.1 | Very high | 91.8 | Very high | 138 Ų | 138 | 51.3 Ų | 51.3 | 60% | 0.6 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -50 | 178.2 | -70.6 | -175.9 | 178 | -177.9 | 0 | 112.7 | C147 W165 | C147-K149 PolarHBondContact O-N 2.75Å; C147-K149 VanDerWaalsContact O-N 3.14Å; K149-W165 HydrophobicContact CD-CH2 3.81Å; K149-W165 HydrophobicContact CD-CZ3 4.42Å |
| 150 | C | 89.3 | Confident | 91.8 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -19.4 | -176.5 | 69 | 0 | 0 | 0 | 0 | 114.1 | A152 | C150-A152 HydrophobicContact CB-CB 4.35Å; C150-A152 PolarHBondContact O-N 3.41Å; C150-A152 PolarHBondContact SG-N 2.85Å |
| 151 | H | 89.5 | Confident | 91.8 | Very high | 119 Ų | 119 | 53.3 Ų | 53.3 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 54.2 | 8 | -173 | -59.9 | -87.2 | 0 | 0 | 0 | 115.9 | C147 S148 | C147-H151 WeakPolarHBondContact O-CA 3.38Å; C147-H151 PolarHBondContact O-N 2.63Å; S148-H151 PolarHBondContact O-NE2 3.46Å |
| 152 | A | 86.2 | Confident | 91.8 | Very high | 83 Ų | 83 | 55.8 Ų | 55.8 | 69% | 0.686 | 30% | 0.298 | S | S | * | . | trans | -90.9 | -29.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | C150 | C150-A152 HydrophobicContact CB-CB 4.35Å; C150-A152 PolarHBondContact O-N 3.41Å; C150-A152 PolarHBondContact SG-N 2.85Å | ||
| 153 | V | 89.3 | Confident | 91.7 | Very high | 26 Ų | 26 | 57.4 Ų | 57.4 | 16% | 0.158 | 31% | 0.305 | C | S | . | . | trans | -112.4 | 145.6 | -177.6 | -61.8 | 0 | 0 | 0 | 0 | 111 | K137 V146 C147 Y155 H169 | K137-V153 HydrophobicContact CD-CB 4.29Å; K137-V153 HydrophobicContact CD-CG1 3.86Å; V146-V153 WeakPolarHBondContact CA-O 3.48Å; C147-V153 HydrophobicContact CB-CG2 3.65Å; C147-V153 PolarHBondContact N-O 3.41Å; V153-Y155 HydrophobicContact CG2-CE2 3.69Å; V153-Y155 WeakPolarHBondContact CG2-OH 3.37Å; V153-H169 WeakPolarHBondContact CG2-NE2 3.18Å | ||
| 154 | S | 92.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 152.8 | -179.9 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | K134 C136 K137 K145 | K134-S154 WeakPolarHBondContact CD-OG 3.26Å; C136-S154 CarbonylContact C-O 3.58Å; C136-S154 VanDerWaalsContact CA-O 3.28Å; C136-S154 WeakPolarHBondContact CA-O 3.45Å; K137-S154 PolarHBondContact N-O 3.32Å; K145-S154 CarbonylContact O-C 3.43Å; K145-S154 VanDerWaalsContact O-CA 3.27Å; K145-S154 WeakPolarHBondContact O-CA 3.14Å |
| 155 | Y | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144.7 | -179.7 | -57 | -80.2 | 0 | 0 | 0 | 110.7 | K137 G143 Q144 K145 C147 V153 H160 Q161 D164 H169 | K137-Y155 HydrophobicContact CB-CE1 4.26Å; G143-Y155 CarbonylContact C-O 3.54Å; G143-Y155 WeakPolarHBondContact CA-O 3.36Å; Q144-Y155 PolarHBondContact N-O 2.96Å; Q144-Y155 VanDerWaalsContact N-O 3.15Å; K145-Y155 PolarHBondContact N-O 2.71Å; K145-Y155 PolarHBondContact O-N 3.2Å; C147-Y155 HydrophobicContact CB-CE2 4.32Å; V153-Y155 HydrophobicContact CG2-CE2 3.69Å; V153-Y155 WeakPolarHBondContact CG2-OH 3.37Å; Y155-H160 HydrophobicContact CD1-CB 4.46Å; Y155-Q161 HydrophobicContact CD1-CB 4.13Å; Y155-Q161 HydrophobicContact CD2-CB 3.71Å; Y155-Q161 HydrophobicContact CD2-CG 3.74Å; Y155-Q161 HydrophobicContact CE1-CB 4.46Å; Y155-Q161 HydrophobicContact CE2-CB 4.05Å; Y155-Q161 HydrophobicContact CE2-CG 3.68Å; Y155-Q161 HydrophobicContact CG-CB 3.74Å; Y155-Q161 HydrophobicContact CG-CG 4.28Å; Y155-D164 HydrophobicContact CE1-CB 3.64Å; Y155-D164 VanDerWaalsContact CE1-OD2 3.24Å; Y155-D164 WeakPolarHBondContact CE1-OD2 3.36Å; Y155-D164 VanDerWaalsContact CZ-OD2 3.29Å; Y155-D164 PolarHBondContact OH-OD2 2.98Å; Y155-H169 PolarHBondContact OH-CD2 2.85Å |
| 156 | C | 94.9 | Very high | 91.9 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.054 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -75.4 | -31.7 | 174.9 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | L43 C136 C139 P142 H160 | L43-C156 WeakPolarHBondContact CD2-O 3.42Å; C136-C156 HydrophobicContact CB-CB 4.1Å; C139-C156 VanDerWaalsContact SG-SG 3.69Å; P142-C156 VanDerWaalsContact O-CB 3.23Å; P142-C156 WeakPolarHBondContact O-CB 3.28Å; C156-H160 PolarHBondContact SG-ND1 3.33Å |
| 157 | S | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -140.9 | 167 | -175.5 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | P54 E159 H160 Q161 | P54-S157 VanDerWaalsContact CG-OG 3.3Å; P54-S157 WeakPolarHBondContact CG-OG 3.47Å; S157-E159 VanDerWaalsContact C-N 3.27Å; S157-E159 WeakPolarHBondContact CB-OE2 3.25Å; S157-H160 PolarHBondContact OG-N 2.8Å; S157-Q161 PolarHBondContact O-N 2.97Å |
| 158 | K | 93.9 | Very high | 91.3 | Very high | 133 Ų | 133 | 58.8 Ų | 58.8 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -72.2 | -30.3 | 174.8 | -177.2 | -176.3 | 176.6 | -173.8 | 0 | 110.5 | Q161 T162 | K158-Q161 PolarHBondContact O-N 2.94Å; K158-T162 WeakPolarHBondContact O-CB 3.46Å; K158-T162 PolarHBondContact O-N 2.69Å; K158-T162 PolarHBondContact O-OG1 3.15Å |
| 159 | E | 94 | Very high | 91.1 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -51.4 | 177.8 | -66.7 | 56.1 | -128.9 | 0 | 0 | 109.2 | L53 S157 Q161 T162 I163 | L53-E159 HydrophobicContact CD2-CG 3.79Å; S157-E159 VanDerWaalsContact C-N 3.27Å; S157-E159 WeakPolarHBondContact CB-OE2 3.25Å; E159-Q161 PolarHBondContact O-N 3.19Å; E159-T162 WeakPolarHBondContact O-CB 3.43Å; E159-T162 PolarHBondContact O-N 3.08Å; E159-T162 VanDerWaalsContact O-N 3.14Å; E159-I163 WeakPolarHBondContact O-CG1 3.31Å; E159-I163 PolarHBondContact O-N 3.3Å |
| 160 | H | 93.9 | Very high | 91.1 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 177.5 | -74.8 | -166.9 | 0 | 0 | 0 | 112.7 | P54 L138 C139 Y155 C156 S157 T162 I163 D164 F186 | P54-H160 WeakPolarHBondContact CB-NE2 3.36Å; L138-H160 HydrophobicContact CB-CB 4.28Å; L138-H160 HydrophobicContact CD2-CB 3.76Å; C139-H160 PolarHBondContact SG-CE1 2.95Å; C139-H160 PolarHBondContact SG-ND1 2.83Å; Y155-H160 HydrophobicContact CD1-CB 4.46Å; C156-H160 PolarHBondContact SG-ND1 3.33Å; S157-H160 PolarHBondContact OG-N 2.8Å; H160-T162 VanDerWaalsContact C-N 3.32Å; H160-T162 PolarHBondContact O-N 2.76Å; H160-I163 PolarHBondContact O-N 2.82Å; H160-D164 VanDerWaalsContact O-CB 3.3Å; H160-D164 WeakPolarHBondContact O-CB 3.41Å; H160-D164 PolarHBondContact O-N 3.25Å; H160-F186 AromaticContact CE1-CE1 3.51Å; H160-F186 AromaticContact CE1-CZ 3.55Å; H160-F186 AromaticContact NE2-CD2 3.93Å; H160-F186 AromaticContact NE2-CE1 3.57Å; H160-F186 AromaticContact NE2-CE2 3.39Å; H160-F186 WeakPolarHBondContact NE2-CE2 3.39Å; H160-F186 AromaticContact NE2-CZ 3.19Å; H160-F186 WeakPolarHBondContact NE2-CZ 3.38Å |
| 161 | Q | 93.3 | Very high | 90.9 | Very high | 45 Ų | 45 | 61 Ų | 61 | 21% | 0.21 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 172.8 | -177 | 179.4 | 19.9 | 0 | 0 | 111.3 | Y155 S157 K158 E159 W165 | Y155-Q161 HydrophobicContact CD1-CB 4.13Å; Y155-Q161 HydrophobicContact CD2-CB 3.71Å; Y155-Q161 HydrophobicContact CD2-CG 3.74Å; Y155-Q161 HydrophobicContact CE1-CB 4.46Å; Y155-Q161 HydrophobicContact CE2-CB 4.05Å; Y155-Q161 HydrophobicContact CE2-CG 3.68Å; Y155-Q161 HydrophobicContact CG-CB 3.74Å; Y155-Q161 HydrophobicContact CG-CG 4.28Å; S157-Q161 PolarHBondContact O-N 2.97Å; K158-Q161 PolarHBondContact O-N 2.94Å; E159-Q161 PolarHBondContact O-N 3.19Å; Q161-W165 WeakPolarHBondContact O-CB 3.2Å; Q161-W165 PolarHBondContact O-N 3.3Å |
| 162 | T | 93.8 | Very high | 90.8 | Very high | 59 Ų | 59 | 56.5 Ų | 56.5 | 36% | 0.362 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | K158 E159 H160 K166 | K158-T162 WeakPolarHBondContact O-CB 3.46Å; K158-T162 PolarHBondContact O-N 2.69Å; K158-T162 PolarHBondContact O-OG1 3.15Å; E159-T162 WeakPolarHBondContact O-CB 3.43Å; E159-T162 PolarHBondContact O-N 3.08Å; E159-T162 VanDerWaalsContact O-N 3.14Å; H160-T162 VanDerWaalsContact C-N 3.32Å; H160-T162 PolarHBondContact O-N 2.76Å; T162-K166 HydrophobicContact CG2-CD 4.4Å; T162-K166 WeakPolarHBondContact O-CG 3.49Å; T162-K166 PolarHBondContact O-N 3.02Å; T162-K166 VanDerWaalsContact O-N 3.1Å |
| 163 | I | 91.4 | Very high | 90.8 | Very high | 50 Ų | 50 | 53.4 Ų | 53.4 | 26% | 0.256 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.3 | -56.9 | 176.8 | -65.9 | 164.2 | 0 | 0 | 0 | 109.3 | L138 E159 H160 W165 K166 H167 P185 F186 | L138-I163 HydrophobicContact CD1-CG2 4.4Å; L138-I163 HydrophobicContact CD2-CB 3.89Å; L138-I163 HydrophobicContact CD2-CD1 4.33Å; L138-I163 HydrophobicContact CD2-CG2 3.81Å; E159-I163 WeakPolarHBondContact O-CG1 3.31Å; E159-I163 PolarHBondContact O-N 3.3Å; H160-I163 PolarHBondContact O-N 2.82Å; I163-W165 VanDerWaalsContact C-N 3.27Å; I163-W165 PolarHBondContact O-N 2.95Å; I163-K166 PolarHBondContact O-N 2.77Å; I163-H167 PolarHBondContact O-CD2 2.81Å; I163-H167 VanDerWaalsContact O-CD2 3.23Å; I163-H167 PolarHBondContact O-N 2.97Å; I163-H167 VanDerWaalsContact O-N 3.16Å; I163-P185 HydrophobicContact CG2-CG 3.61Å; I163-F186 HydrophobicContact CD1-CD2 4.46Å |
| 164 | D | 91.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.032 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.9 | -39.6 | -179.2 | -170.1 | 57.9 | 0 | 0 | 0 | 112.2 | L138 Y155 H160 K166 H167 C168 H169 | L138-D164 HydrophobicContact CD1-CB 4.44Å; Y155-D164 HydrophobicContact CE1-CB 3.64Å; Y155-D164 VanDerWaalsContact CE1-OD2 3.24Å; Y155-D164 WeakPolarHBondContact CE1-OD2 3.36Å; Y155-D164 VanDerWaalsContact CZ-OD2 3.29Å; Y155-D164 PolarHBondContact OH-OD2 2.98Å; H160-D164 VanDerWaalsContact O-CB 3.3Å; H160-D164 WeakPolarHBondContact O-CB 3.41Å; H160-D164 PolarHBondContact O-N 3.25Å; D164-K166 PolarHBondContact O-N 3.37Å; D164-H167 PolarHBondContact O-N 3.24Å; D164-C168 PolarHBondContact O-N 3.03Å; D164-C168 PolarHBondContact OD1-SG 2.93Å; D164-H169 PolarHBondContact O-N 2.89Å; D164-H169 WeakPolarHBondContact OD2-CB 3.44Å; D164-H169 IonicContact OD2-CG 3.97Å |
| 165 | W | 90.9 | Very high | 89.9 | Confident | 67 Ų | 67 | 62.5 Ų | 62.5 | 25% | 0.254 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -60.4 | -43.5 | 175.7 | -173.2 | -97.1 | 0 | 0 | 0 | 112.9 | K149 Q161 I163 H169 K170 C173 | K149-W165 HydrophobicContact CD-CH2 3.81Å; K149-W165 HydrophobicContact CD-CZ3 4.42Å; Q161-W165 WeakPolarHBondContact O-CB 3.2Å; Q161-W165 PolarHBondContact O-N 3.3Å; I163-W165 VanDerWaalsContact C-N 3.27Å; I163-W165 PolarHBondContact O-N 2.95Å; W165-H169 AromaticContact CE3-CD2 3.61Å; W165-H169 AromaticContact CZ3-CD2 3.83Å; W165-K170 HydrophobicContact CD2-CB 3.96Å; W165-K170 HydrophobicContact CE3-CB 4.47Å; W165-K170 HydrophobicContact CG-CB 4.27Å; W165-K170 HydrophobicContact CH2-CB 4.49Å; W165-K170 HydrophobicContact CZ2-CB 4.02Å; W165-K170 HydrophobicContact CZ2-CD 4.47Å; W165-K170 HydrophobicContact CZ2-CG 3.84Å; W165-K170 WeakPolarHBondContact O-CB 3.36Å; W165-K170 PolarHBondContact O-N 2.78Å; W165-C173 HydrophobicContact CH2-CB 4.23Å; W165-C173 HydrophobicContact CZ3-CB 3.92Å |
| 166 | K | 91.1 | Very high | 88.3 | Confident | 164 Ų | 164 | 72.4 Ų | 72.4 | 71% | 0.713 | 34% | 0.344 | S | S | * | . | I | π-helix | trans | -67 | -37.1 | 179.5 | -74.6 | 176.1 | -179.1 | -178 | 0 | 112.1 | T162 I163 D164 | T162-K166 HydrophobicContact CG2-CD 4.4Å; T162-K166 WeakPolarHBondContact O-CG 3.49Å; T162-K166 PolarHBondContact O-N 3.02Å; T162-K166 VanDerWaalsContact O-N 3.1Å; I163-K166 PolarHBondContact O-N 2.77Å; D164-K166 PolarHBondContact O-N 3.37Å |
| 167 | H | 84.8 | Confident | 86.4 | Confident | 98 Ų | 98 | 76 Ų | 76 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | I | π-helix | trans | -88.8 | -51.1 | -171.5 | -74.9 | -94 | 0 | 0 | 0 | 113.6 | I163 D164 | I163-H167 PolarHBondContact O-CD2 2.81Å; I163-H167 VanDerWaalsContact O-CD2 3.23Å; I163-H167 PolarHBondContact O-N 2.97Å; I163-H167 VanDerWaalsContact O-N 3.16Å; D164-H167 PolarHBondContact O-N 3.24Å |
| 168 | C | 85.3 | Confident | 84.5 | Confident | 23 Ų | 23 | 81.3 Ų | 81.3 | 16% | 0.155 | 40% | 0.399 | C | S | . | . | I | π-helix | trans | -136 | -45.5 | -172.6 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | D164 K170 K171 E172 | D164-C168 PolarHBondContact O-N 3.03Å; D164-C168 PolarHBondContact OD1-SG 2.93Å; C168-K170 VanDerWaalsContact C-N 3.31Å; C168-K170 PolarHBondContact O-N 3.1Å; C168-K170 VanDerWaalsContact O-N 3.14Å; C168-K171 PolarHBondContact O-N 3.27Å; C168-E172 PolarHBondContact O-N 2.82Å |
| 169 | H | 88.1 | Confident | 82.5 | Confident | 5 Ų | 5 | 79 Ų | 79 | 2% | 0.023 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -65.3 | -29.2 | -166.2 | -175.9 | 51.3 | 0 | 0 | 0 | 114.1 | C147 V153 Y155 D164 W165 K171 E172 C173 | C147-H169 PolarHBondContact SG-NE2 2.95Å; V153-H169 WeakPolarHBondContact CG2-NE2 3.18Å; Y155-H169 PolarHBondContact OH-CD2 2.85Å; D164-H169 PolarHBondContact O-N 2.89Å; D164-H169 WeakPolarHBondContact OD2-CB 3.44Å; D164-H169 IonicContact OD2-CG 3.97Å; W165-H169 AromaticContact CE3-CD2 3.61Å; W165-H169 AromaticContact CZ3-CD2 3.83Å; H169-K171 PolarHBondContact O-N 2.77Å; H169-K171 VanDerWaalsContact O-N 3.16Å; H169-E172 PolarHBondContact O-N 2.84Å; H169-E172 VanDerWaalsContact O-N 3.17Å; H169-C173 WeakPolarHBondContact O-CA 3.16Å; H169-C173 WeakPolarHBondContact O-CB 3.32Å; H169-C173 PolarHBondContact O-N 2.9Å |
| 170 | K | 88.6 | Confident | 80.5 | Confident | 145 Ų | 145 | 78.4 Ų | 78.4 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.9 | -31.9 | 174.2 | 179.6 | 176.7 | 179.1 | -175.5 | 0 | 112.9 | W165 C168 | W165-K170 HydrophobicContact CD2-CB 3.96Å; W165-K170 HydrophobicContact CE3-CB 4.47Å; W165-K170 HydrophobicContact CG-CB 4.27Å; W165-K170 HydrophobicContact CH2-CB 4.49Å; W165-K170 HydrophobicContact CZ2-CB 4.02Å; W165-K170 HydrophobicContact CZ2-CD 4.47Å; W165-K170 HydrophobicContact CZ2-CG 3.84Å; W165-K170 WeakPolarHBondContact O-CB 3.36Å; W165-K170 PolarHBondContact O-N 2.78Å; C168-K170 VanDerWaalsContact C-N 3.31Å; C168-K170 PolarHBondContact O-N 3.1Å; C168-K170 VanDerWaalsContact O-N 3.14Å |
| 171 | K | 86.4 | Confident | 78.6 | Confident | 160 Ų | 160 | 83.5 Ų | 83.5 | 70% | 0.696 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -84.1 | -30.7 | -179.8 | -63.2 | 177.6 | -176.9 | 172 | 0 | 112.5 | C168 H169 K175 | C168-K171 PolarHBondContact O-N 3.27Å; H169-K171 PolarHBondContact O-N 2.77Å; H169-K171 VanDerWaalsContact O-N 3.16Å; K171-K175 WeakPolarHBondContact O-CD 3.48Å; K171-K175 WeakPolarHBondContact O-CE 3.41Å; K171-K175 PolarHBondContact O-NZ 3.04Å |
| 172 | E | 86.1 | Confident | 77 | Confident | 23 Ų | 23 | 85.2 Ų | 85.2 | 11% | 0.107 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -92.6 | -21.3 | -176.2 | -63.6 | 168.5 | -173 | 0 | 0 | 113.6 | K137 C168 H169 C174 K175 | K137-E172 IonicContact NZ-OE2 3.26Å; K137-E172 PolarHBondContact NZ-OE2 3.11Å; C168-E172 PolarHBondContact O-N 2.82Å; H169-E172 PolarHBondContact O-N 2.84Å; H169-E172 VanDerWaalsContact O-N 3.17Å; E172-C174 PolarHBondContact O-N 2.75Å; E172-K175 WeakPolarHBondContact O-CB 3.49Å; E172-K175 PolarHBondContact O-N 3.48Å; E172-K175 VanDerWaalsContact O-O 3.05Å |
| 173 | C | 87.5 | Confident | 75.8 | Confident | 18 Ų | 18 | 87.9 Ų | 87.9 | 12% | 0.122 | 48% | 0.479 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 128 | -173.9 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | W165 H169 K175 | W165-C173 HydrophobicContact CH2-CB 4.23Å; W165-C173 HydrophobicContact CZ3-CB 3.92Å; H169-C173 WeakPolarHBondContact O-CA 3.16Å; H169-C173 WeakPolarHBondContact O-CB 3.32Å; H169-C173 PolarHBondContact O-N 2.9Å; C173-K175 PolarHBondContact O-N 2.98Å |
| 174 | C | 83.9 | Confident | 75.2 | Confident | 95 Ų | 95 | 87.1 Ų | 87.1 | 64% | 0.642 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 12 | -176.4 | -50.4 | 0 | 0 | 0 | 0 | 115.1 | E172 | E172-C174 PolarHBondContact O-N 2.75Š|
| 175 | K | 78.4 | Confident | 74.8 | Confident | 132 Ų | 132 | 89.6 Ų | 89.6 | 57% | 0.574 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -112.3 | 130.6 | 171.1 | -53.8 | -179.2 | -172.3 | 162.1 | 0 | 107.8 | K171 E172 C173 V177 | K171-K175 WeakPolarHBondContact O-CD 3.48Å; K171-K175 WeakPolarHBondContact O-CE 3.41Å; K171-K175 PolarHBondContact O-NZ 3.04Å; E172-K175 WeakPolarHBondContact O-CB 3.49Å; E172-K175 PolarHBondContact O-N 3.48Å; E172-K175 VanDerWaalsContact O-O 3.05Å; C173-K175 PolarHBondContact O-N 2.98Å; K175-V177 HydrophobicContact CB-CG2 3.58Å; K175-V177 HydrophobicContact CD-CG2 4.39Å; K175-V177 PolarHBondContact O-N 3.33Å |
| 176 | Q | 60.9 | Low | 74.8 | Confident | 207 Ų | 207 | 87.3 Ų | 87.3 | 97% | 0.967 | 49% | 0.486 | S | S | * | . | trans | -75.7 | 53.5 | 173.8 | -64.5 | -177.2 | -6.4 | 0 | 0 | 110.2 | ||||
| 177 | V | 56.7 | Low | 74.8 | Confident | 85 Ų | 85 | 81.3 Ų | 81.3 | 52% | 0.515 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -90.5 | 131 | 177.8 | -165.4 | 0 | 0 | 0 | 0 | 107.5 | K175 S179 | K175-V177 HydrophobicContact CB-CG2 3.58Å; K175-V177 HydrophobicContact CD-CG2 4.39Å; K175-V177 PolarHBondContact O-N 3.33Å; V177-S179 PolarHBondContact O-N 3.05Å |
| 178 | P | 53.7 | Low | 75.3 | Confident | 110 Ų | 110 | 77 Ų | 77 | 71% | 0.714 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 134.8 | 167 | -20.2 | 30.4 | 0 | 0 | 0 | 109.1 | S180 | P178-S180 PolarHBondContact O-N 3.12Š|
| 179 | S | 53.4 | Low | 75.7 | Confident | 86 Ų | 86 | 77.5 Ų | 77.5 | 60% | 0.601 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -53 | 117.3 | 176.2 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | V177 | V177-S179 PolarHBondContact O-N 3.05Š|
| 180 | S | 50.7 | Low | 76 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 47% | 0.469 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 145 | 169.8 | 51.4 | 0 | 0 | 0 | 0 | 108.8 | P178 V182 | P178-S180 PolarHBondContact O-N 3.12Å; S180-V182 PolarHBondContact O-N 2.84Å; S180-V182 WeakPolarHBondContact OG-CG2 3.45Å |
| 181 | A | 54.8 | Low | 76.3 | Confident | 108 Ų | 108 | 75 Ų | 75 | 89% | 0.893 | 44% | 0.436 | S | S | * | . | trans | -71.3 | 58.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 182 | V | 59.3 | Low | 76.9 | Confident | 82 Ų | 82 | 70 Ų | 70 | 50% | 0.497 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 127.1 | 174.2 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | S180 S184 | S180-V182 PolarHBondContact O-N 2.84Å; S180-V182 WeakPolarHBondContact OG-CG2 3.45Å; V182-S184 PolarHBondContact O-N 3.38Å |
| 183 | P | 68.3 | Low | 77.5 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 75% | 0.747 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 127.6 | 174.6 | -25.6 | 34.1 | 0 | 0 | 0 | 110.9 | ||
| 184 | S | 78.6 | Confident | 77.9 | Confident | 34 Ų | 34 | 70.1 Ų | 70.1 | 24% | 0.238 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 129.4 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 109 | L138 V182 F186 L187 | L138-S184 VanDerWaalsContact CD1-OG 3.28Å; L138-S184 WeakPolarHBondContact CD1-OG 3.49Å; V182-S184 PolarHBondContact O-N 3.38Å; S184-F186 PolarHBondContact O-N 3.21Å; S184-F186 PolarHBondContact OG-N 3.33Å; S184-L187 PolarHBondContact OG-N 2.87Å |
| 185 | P | 82.9 | Confident | 78.5 | Confident | 58 Ų | 58 | 69 Ų | 69 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -67.1 | -17 | 174.4 | 32.2 | -39.7 | 0 | 0 | 0 | 112.3 | K82 I163 | K82-P185 PolarHBondContact NZ-O 3.21Å; I163-P185 HydrophobicContact CG2-CG 3.61Å |
| 186 | F | 90.6 | Very high | 79.3 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -91.4 | -41.8 | -176.7 | -174.3 | -101 | 0 | 0 | 0 | 112.3 | A56 K82 L138 C139 H160 I163 S184 | A56-F186 HydrophobicContact CB-CE1 3.86Å; A56-F186 HydrophobicContact CB-CE2 4.32Å; A56-F186 HydrophobicContact CB-CZ 3.75Å; K82-F186 HydrophobicContact CD-CD2 4.34Å; K82-F186 WeakPolarHBondContact CD-O 3.43Å; K82-F186 PolarHBondContact NZ-O 2.95Å; L138-F186 HydrophobicContact CD1-CB 4.24Å; L138-F186 HydrophobicContact CD2-CB 3.86Å; L138-F186 HydrophobicContact CD2-CD1 4.49Å; L138-F186 HydrophobicContact CD2-CG 4.14Å; L138-F186 HydrophobicContact CG-CB 3.97Å; L138-F186 HydrophobicContact CG-CD1 4.43Å; L138-F186 HydrophobicContact CG-CG 4.41Å; C139-F186 HydrophobicContact CB-CD1 3.96Å; C139-F186 HydrophobicContact CB-CE1 3.67Å; H160-F186 AromaticContact CE1-CE1 3.51Å; H160-F186 AromaticContact CE1-CZ 3.55Å; H160-F186 AromaticContact NE2-CD2 3.93Å; H160-F186 AromaticContact NE2-CE1 3.57Å; H160-F186 AromaticContact NE2-CE2 3.39Å; H160-F186 WeakPolarHBondContact NE2-CE2 3.39Å; H160-F186 AromaticContact NE2-CZ 3.19Å; H160-F186 WeakPolarHBondContact NE2-CZ 3.38Å; I163-F186 HydrophobicContact CD1-CD2 4.46Å; S184-F186 PolarHBondContact O-N 3.21Å; S184-F186 PolarHBondContact OG-N 3.33Å |
| 187 | L | 92.8 | Very high | 80.9 | Confident | 38 Ų | 38 | 62.9 Ų | 62.9 | 20% | 0.199 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -73.8 | 148.2 | -178.2 | -58.1 | -179.9 | 0 | 0 | 0 | 111 | G30 K31 L138 S184 | G30-L187 WeakPolarHBondContact O-CD2 3.17Å; K31-L187 HydrophobicContact CG-CD1 4.01Å; K31-L187 HydrophobicContact CG-CD2 4.41Å; L138-L187 WeakPolarHBondContact O-CD2 3.49Å; L138-L187 WeakPolarHBondContact O-CG 3.31Å; S184-L187 PolarHBondContact OG-N 2.87Å |
| 188 | F | 94 | Very high | 82.5 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 160.4 | 165.1 | -61.6 | -66.8 | 0 | 0 | 0 | 110.2 | G30 A56 F57 L58 C80 K82 E190 L304 V306 I313 | G30-F188 PolarHBondContact N-O 3.09Å; A56-F188 HydrophobicContact CB-CD2 4.45Å; A56-F188 HydrophobicContact CB-CE2 3.82Å; A56-F188 HydrophobicContact CB-CZ 4.41Å; F57-F188 VanDerWaalsContact O-CD2 3.26Å; F57-F188 WeakPolarHBondContact O-CD2 3.21Å; L58-F188 HydrophobicContact CD1-CD2 4.42Å; L58-F188 HydrophobicContact CD1-CE2 4.24Å; C80-F188 VanDerWaalsContact SG-CE2 3.58Å; K82-F188 HydrophobicContact CD-CE1 4.43Å; K82-F188 HydrophobicContact CD-CZ 4.2Å; K82-F188 HydrophobicContact CG-CZ 4.08Å; F188-E190 PolarHBondContact O-N 2.93Å; F188-L304 HydrophobicContact CB-CD2 3.94Å; F188-L304 HydrophobicContact CD1-CB 3.85Å; F188-L304 HydrophobicContact CD1-CD1 4.44Å; F188-L304 HydrophobicContact CD1-CD2 3.87Å; F188-L304 HydrophobicContact CD1-CG 4.25Å; F188-L304 HydrophobicContact CD2-CD2 4.26Å; F188-L304 HydrophobicContact CE1-CB 4.16Å; F188-L304 HydrophobicContact CE1-CD1 4.23Å; F188-L304 HydrophobicContact CE1-CD2 4.44Å; F188-L304 HydrophobicContact CG-CD2 3.77Å; F188-V306 HydrophobicContact CD1-CG2 4.41Å; F188-V306 HydrophobicContact CE1-CG2 3.95Å; F188-I313 HydrophobicContact CE1-CD1 4.07Å; F188-I313 HydrophobicContact CZ-CD1 3.9Å |
| 189 | P | 93.2 | Very high | 84 | Confident | 35 Ų | 35 | 63 Ų | 63 | 23% | 0.227 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 138.9 | 169.6 | -25.8 | 36 | 0 | 0 | 0 | 111.1 | G29 L304 K305 | G29-P189 VanDerWaalsContact CA-O 3.32Å; G29-P189 WeakPolarHBondContact CA-O 3.44Å; P189-L304 WeakPolarHBondContact CD-O 3.4Å; P189-K305 HydrophobicContact CG-CB 4.09Å; P189-K305 HydrophobicContact CG-CD 3.82Å; P189-K305 HydrophobicContact CG-CG 3.94Å |
| 190 | E | 94.7 | Very high | 84.6 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | trans | -97 | 115.3 | -176.7 | -172.1 | 170.3 | -117.9 | 0 | 0 | 109.1 | N16 L19 K27 V28 F188 | N16-E190 PolarHBondContact ND2-OE2 3.11Å; L19-E190 HydrophobicContact CD1-CG 3.59Å; K27-E190 WeakPolarHBondContact CE-OE1 3.45Å; K27-E190 IonicContact NZ-OE1 3.96Å; K27-E190 PolarHBondContact NZ-OE1 2.8Å; V28-E190 WeakPolarHBondContact O-CA 3.32Å; F188-E190 PolarHBondContact O-N 2.93Å | ||
| 191 | L | 96.5 | Very high | 84.9 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 17% | 0.173 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 148.4 | -175.3 | -66 | 168.1 | 0 | 0 | 0 | 110 | L11 E13 K27 V28 | L11-L191 HydrophobicContact CB-CB 4.39Å; L11-L191 HydrophobicContact CB-CD1 4.21Å; L11-L191 HydrophobicContact CD1-CD1 3.97Å; L11-L191 HydrophobicContact CD2-CB 4.44Å; E13-L191 HydrophobicContact CG-CD2 4.34Å; K27-L191 CarbonylContact C-O 3.53Å; K27-L191 VanDerWaalsContact CA-O 3.28Å; K27-L191 WeakPolarHBondContact CA-O 3.49Å; K27-L191 VanDerWaalsContact CB-O 3.28Å; K27-L191 WeakPolarHBondContact CB-O 3.49Å; V28-L191 PolarHBondContact N-O 2.9Å; V28-L191 PolarHBondContact O-N 2.79Å |
| 192 | E | 97.7 | Very high | 84.2 | Confident | 55 Ų | 55 | 74.6 Ų | 74.6 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 144.5 | 173.1 | -173.6 | 163.8 | -154.9 | 0 | 0 | 110.4 | L11 E12 A14 L19 V194 | L11-E192 WeakPolarHBondContact CA-O 3.49Å; E12-E192 PolarHBondContact N-O 2.87Å; E12-E192 PolarHBondContact O-N 2.84Å; A14-E192 HydrophobicContact CB-CB 3.75Å; L19-E192 HydrophobicContact CD2-CB 4.02Å; L19-E192 HydrophobicContact CD2-CG 4.36Å; E192-V194 HydrophobicContact CG-CG2 4Å |
| 193 | L | 98.2 | Very high | 83.3 | Confident | 6 Ų | 6 | 79.6 Ų | 79.6 | 3% | 0.031 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 101.5 | 174 | 177.7 | 69.1 | 0 | 0 | 0 | 109 | F10 L11 S26 M59 V61 V258 L259 | F10-L193 WeakPolarHBondContact O-CA 3.48Å; L11-L193 HydrophobicContact CD2-CB 4.42Å; L11-L193 HydrophobicContact CD2-CD1 3.98Å; S26-L193 VanDerWaalsContact CB-O 3.25Å; S26-L193 WeakPolarHBondContact CB-O 3.47Å; S26-L193 PolarHBondContact O-N 3.01Å; M59-L193 HydrophobicContact CE-CD2 3.43Å; M59-L193 VanDerWaalsContact CE-CD2 3.43Å; V61-L193 HydrophobicContact CG2-CD2 4.01Å; L193-V258 HydrophobicContact CD1-CG2 3.5Å; L193-V258 VanDerWaalsContact CD1-CG2 3.5Å; L193-L259 HydrophobicContact CD1-CB 4.21Å; L193-L259 HydrophobicContact CD2-CD2 4Å |
| 194 | V | 97.3 | Very high | 81.7 | Confident | 38 Ų | 38 | 82.4 Ų | 82.4 | 23% | 0.23 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 140.6 | 179 | -176.5 | 0 | 0 | 0 | 0 | 109 | G9 F10 E12 E192 | G9-V194 CarbonylContact C-O 3.5Å; G9-V194 WeakPolarHBondContact CA-O 3.3Å; F10-V194 PolarHBondContact N-O 3.38Å; F10-V194 PolarHBondContact O-N 3.48Å; E12-V194 HydrophobicContact CB-CG2 4.33Å; E12-V194 HydrophobicContact CG-CG2 4.09Å; E192-V194 HydrophobicContact CG-CG2 4Å |
| 195 | T | 96 | Very high | 79.7 | Confident | 71 Ų | 71 | 86.3 Ų | 86.3 | 44% | 0.436 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.9 | -179.5 | 57.9 | 0 | 0 | 0 | 0 | 112.3 | L8 L259 | L8-T195 CarbonylContact O-C 3.57Å; L8-T195 WeakPolarHBondContact O-CA 3.38Å; T195-L259 HydrophobicContact CG2-CD2 4.35Å |
| 196 | E | 94.9 | Very high | 77.4 | Confident | 103 Ų | 103 | 88.3 Ų | 88.3 | 48% | 0.481 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.6 | 177.7 | -57.9 | -173.1 | 157.5 | 0 | 0 | 110.3 | A7 L8 F10 | A7-E196 CarbonylContact C-O 3.49Å; A7-E196 VanDerWaalsContact CA-O 3.28Å; A7-E196 WeakPolarHBondContact CA-O 3.44Å; L8-E196 PolarHBondContact N-O 3.47Å; L8-E196 PolarHBondContact O-N 2.63Å; F10-E196 HydrophobicContact CD2-CG 4.38Å; F10-E196 HydrophobicContact CE2-CB 4.24Å; F10-E196 HydrophobicContact CE2-CG 4.38Å |
| 197 | P | 93.8 | Very high | 74.8 | Confident | 109 Ų | 109 | 95.9 Ų | 95.9 | 71% | 0.708 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 138.8 | 177.1 | 28.1 | -34.1 | 0 | 0 | 0 | 111.3 | E199 | P197-E199 PolarHBondContact O-N 2.94Å |
| 198 | E | 91.3 | Very high | 72 | Confident | 21 Ų | 21 | 99.8 Ų | 99.8 | 10% | 0.098 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 119.6 | 173.6 | -178.2 | 171.6 | -139.1 | 0 | 0 | 110.3 | V6 L8 H200 R250 R260 | V6-E198 HydrophobicContact CB-CB 4.07Å; V6-E198 WeakPolarHBondContact CB-OE2 3.48Å; V6-E198 WeakPolarHBondContact O-CB 3.39Å; V6-E198 PolarHBondContact O-N 3.37Å; L8-E198 HydrophobicContact CD1-CB 4.23Å; L8-E198 HydrophobicContact CD1-CG 4.25Å; L8-E198 HydrophobicContact CD2-CB 4.07Å; L8-E198 HydrophobicContact CD2-CG 4.33Å; L8-E198 HydrophobicContact CG-CB 3.95Å; L8-E198 HydrophobicContact CG-CG 4.41Å; E198-H200 PolarHBondContact O-N 3.46Å; E198-R250 WeakPolarHBondContact OE1-CD 3.16Å; E198-R260 IonicContact OE1-CZ 2.65Å; E198-R260 IonicContact OE1-NH1 3.8Å; E198-R260 PolarHBondContact OE1-NH1 3.36Å; E198-R260 VanDerWaalsContact OE1-NH1 3.1Å; E198-R260 IonicContact OE1-NH2 2.96Å; E198-R260 PolarHBondContact OE1-NH2 2.84Å; E198-R260 IonicContact OE2-CZ 2.65Å; E198-R260 IonicContact OE2-NH2 3.92Å; E198-R260 PolarHBondContact OE2-NH2 3.3Å |
| 199 | E | 84.3 | Confident | 69.1 | Low | 175 Ų | 175 | 106.4 Ų | 106.4 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -74 | 118.6 | 172.8 | -62.6 | -165.9 | 164 | 0 | 0 | 110.4 | P197 Q201 | P197-E199 PolarHBondContact O-N 2.94Å; E199-Q201 PolarHBondContact O-N 2.64Å |
| 200 | H | 67.5 | Low | 66 | Low | 148 Ų | 148 | 108.2 Ų | 108.2 | 69% | 0.685 | 58% | 0.581 | S | S | * | * | trans | -75.5 | 109.6 | 170 | -72.9 | -53.1 | 0 | 0 | 0 | 109.7 | E198 K202 | E198-H200 PolarHBondContact O-N 3.46Å; H200-K202 PolarHBondContact O-N 3.33Å | ||
| 201 | Q | 56 | Low | 63 | Low | 161 Ų | 161 | 113.5 Ų | 113.5 | 75% | 0.752 | 61% | 0.612 | S | S | * | * | trans | -58.3 | 115.1 | 159.5 | -67.2 | -175.1 | 1.8 | 0 | 0 | 107.2 | E199 E203 | E199-Q201 PolarHBondContact O-N 2.64Å; Q201-E203 PolarHBondContact O-N 3.11Å | ||
| 202 | K | 39.4 | Very low | 59.9 | Low | 196 Ų | 196 | 116.6 Ų | 116.6 | 85% | 0.852 | 64% | 0.642 | S | S | * | * | trans | -58.9 | 112.4 | 168.8 | -69.7 | 177.4 | -177.4 | 172.9 | 0 | 105.8 | H200 E204 | H200-K202 PolarHBondContact O-N 3.33Å; K202-E204 VanDerWaalsContact C-N 3.33Å; K202-E204 PolarHBondContact O-N 3.23Å | ||
| 203 | E | 40.7 | Very low | 57.1 | Low | 188 Ų | 188 | 122.9 Ų | 122.9 | 88% | 0.879 | 67% | 0.672 | S | S | * | * | trans | -58.6 | 102.4 | 168.4 | -69.6 | -176.6 | 171 | 0 | 0 | 106.7 | Q201 S205 | Q201-E203 PolarHBondContact O-N 3.11Å; E203-S205 PolarHBondContact O-N 3.11Å | ||
| 204 | E | 34.9 | Very low | 53.9 | Low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | trans | -61.6 | 107.5 | 165.4 | -78.3 | -170.7 | 162.7 | 0 | 0 | 106.6 | K202 S206 | K202-E204 VanDerWaalsContact C-N 3.33Å; K202-E204 PolarHBondContact O-N 3.23Å; E204-S206 PolarHBondContact O-N 3.38Å | ||
| 205 | S | 35.9 | Very low | 51.1 | Low | 115 Ų | 115 | 136.2 Ų | 136.2 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -66.3 | 82.6 | 169.8 | 59.8 | 0 | 0 | 0 | 0 | 108.9 | E203 Q207 | E203-S205 PolarHBondContact O-N 3.11Å; S205-Q207 PolarHBondContact O-N 2.89Å; S205-Q207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | S | 35.7 | Very low | 48.4 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -84.7 | 84.6 | 175.9 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | E204 T208 | E204-S206 PolarHBondContact O-N 3.38Å; S206-T208 PolarHBondContact O-N 3.35Å | ||
| 207 | Q | 35.6 | Very low | 45.8 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -73.6 | 107.4 | 158.3 | -80.5 | 179.8 | -12.3 | 0 | 0 | 109.6 | S205 | S205-Q207 PolarHBondContact O-N 2.89Å; S205-Q207 VanDerWaalsContact O-N 3.14Å | ||
| 208 | T | 34 | Very low | 43 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 49.5 | 123.1 | 138.2 | 64.5 | 0 | 0 | 0 | 0 | 121.4 | S206 | S206-T208 PolarHBondContact O-N 3.35Š| ||
| 209 | V | 32.7 | Very low | 40.7 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | 146.9 | 131 | 106.4 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 210 | G | 28.8 | Very low | 38.7 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 151.2 | 94.9 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 211 | D | 31.5 | Very low | 37.6 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -50 | 140.1 | 164.8 | -82 | -46 | 0 | 0 | 0 | 113.8 | ||||
| 212 | A | 32.4 | Very low | 37.2 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -161.1 | 127.1 | 140 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 213 | Q | 38.5 | Very low | 37.3 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -54.2 | 144.6 | 176.9 | -76.5 | 140.6 | -35.9 | 0 | 0 | 113.8 | ||||
| 214 | N | 31 | Very low | 37.6 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | trans | -156.6 | 137.9 | 133.6 | -99.9 | -27.1 | 0 | 0 | 0 | 112.8 | ||||
| 215 | N | 38.3 | Very low | 38.4 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -89.5 | 122 | -171 | -150 | 13.2 | 0 | 0 | 0 | 109.7 | ||||
| 216 | V | 38.1 | Very low | 39.5 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -149.7 | 118.5 | 159.6 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 217 | E | 41.3 | Very low | 40.5 | Very low | 188 Ų | 188 | 127.4 Ų | 127.4 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -70 | 131.5 | 170 | -72.4 | 174.9 | 144.2 | 0 | 0 | 111.2 | ||||
| 218 | C | 34.1 | Very low | 41.6 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 64% | 0.642 | 72% | 0.715 | S | S | * | * | trans | -149.2 | 106.7 | 157.5 | -165.6 | 0 | 0 | 0 | 0 | 109.9 | S220 | C218-S220 PolarHBondContact O-N 2.85Š| ||
| 219 | S | 44.4 | Very low | 42.8 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 51.5 | -163.5 | 64.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 220 | S | 42.3 | Very low | 44.1 | Very low | 97 Ų | 97 | 120.6 Ų | 120.6 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.1 | 15 | 173.7 | 73 | 0 | 0 | 0 | 0 | 116.2 | C218 | C218-S220 PolarHBondContact O-N 2.85Š|
| 221 | L | 43.8 | Very low | 45.5 | Very low | 116 Ų | 116 | 123 Ų | 123 | 61% | 0.607 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -119.2 | 7.3 | -179.2 | -57.6 | 174.1 | 0 | 0 | 0 | 113.1 | ||
| 222 | V | 47.1 | Very low | 46.8 | Very low | 105 Ų | 105 | 118 Ų | 118 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -88.1 | -14.3 | -169.8 | -66.4 | 0 | 0 | 0 | 0 | 114.3 | A226 | V222-A226 WeakPolarHBondContact O-CB 3.41Å; V222-A226 PolarHBondContact O-N 3.49Å |
| 223 | D | 42.8 | Very low | 48 | Very low | 128 Ų | 128 | 118.8 Ų | 118.8 | 68% | 0.684 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -81.9 | -48.6 | 179.3 | -104.8 | -7.7 | 0 | 0 | 0 | 112.1 | L225 A226 E227 | D223-L225 VanDerWaalsContact C-N 3.34Å; D223-L225 PolarHBondContact O-N 2.93Å; D223-A226 PolarHBondContact O-N 3.36Å; D223-E227 PolarHBondContact O-N 3.47Å |
| 224 | D | 47.4 | Very low | 48.9 | Very low | 127 Ų | 127 | 112.8 Ų | 112.8 | 68% | 0.679 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.9 | -37.2 | -179.4 | -84.1 | -41.3 | 0 | 0 | 0 | 112.8 | T228 | D224-T228 PolarHBondContact O-N 2.65Å; D224-T228 VanDerWaalsContact O-N 3.11Å; D224-T228 PolarHBondContact O-OG1 2.96Å |
| 225 | L | 51.2 | Low | 50.1 | Low | 110 Ų | 110 | 106.3 Ų | 106.3 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.9 | -36.6 | 177 | -80.3 | 164.2 | 0 | 0 | 0 | 111.9 | D223 T228 E229 | D223-L225 VanDerWaalsContact C-N 3.34Å; D223-L225 PolarHBondContact O-N 2.93Å; L225-T228 WeakPolarHBondContact CA-OG1 3.46Å; L225-T228 PolarHBondContact O-OG1 3.34Å; L225-E229 WeakPolarHBondContact O-CB 3.32Å; L225-E229 WeakPolarHBondContact O-CG 3.47Å; L225-E229 PolarHBondContact O-N 3.48Å |
| 226 | A | 57.6 | Low | 50.9 | Low | 36 Ų | 36 | 103.7 Ų | 103.7 | 30% | 0.298 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.6 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V222 D223 E229 L230 | V222-A226 WeakPolarHBondContact O-CB 3.41Å; V222-A226 PolarHBondContact O-N 3.49Å; D223-A226 PolarHBondContact O-N 3.36Å; A226-E229 PolarHBondContact O-N 2.99Å; A226-L230 WeakPolarHBondContact O-CB 3.36Å; A226-L230 VanDerWaalsContact O-CD1 3.29Å; A226-L230 WeakPolarHBondContact O-CD1 3.32Å; A226-L230 VanDerWaalsContact O-CG 3.26Å; A226-L230 WeakPolarHBondContact O-CG 3.01Å; A226-L230 PolarHBondContact O-N 2.84Å |
| 227 | E | 56.9 | Low | 52 | Low | 120 Ų | 120 | 105.4 Ų | 105.4 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.2 | -45 | 175.6 | -74.2 | -170 | 164.3 | 0 | 0 | 111.7 | D223 E229 L230 E231 | D223-E227 PolarHBondContact O-N 3.47Å; E227-E229 PolarHBondContact O-N 2.91Å; E227-L230 PolarHBondContact O-N 3.02Å; E227-E231 WeakPolarHBondContact O-CB 3.4Å; E227-E231 WeakPolarHBondContact O-CG 3.48Å; E227-E231 PolarHBondContact O-N 3.26Å |
| 228 | T | 59.8 | Low | 53.8 | Low | 67 Ų | 67 | 100 Ų | 100 | 41% | 0.411 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.7 | -35.3 | 174.6 | 33.1 | 0 | 0 | 0 | 0 | 112.9 | D224 L225 N232 | D224-T228 PolarHBondContact O-N 2.65Å; D224-T228 VanDerWaalsContact O-N 3.11Å; D224-T228 PolarHBondContact O-OG1 2.96Å; L225-T228 WeakPolarHBondContact CA-OG1 3.46Å; L225-T228 PolarHBondContact O-OG1 3.34Å; T228-N232 VanDerWaalsContact O-CB 3.23Å; T228-N232 WeakPolarHBondContact O-CB 3.42Å; T228-N232 PolarHBondContact O-N 3.14Å; T228-N232 PolarHBondContact O-ND2 2.85Å |
| 229 | E | 59.8 | Low | 56 | Low | 119 Ų | 119 | 101.4 Ų | 101.4 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.7 | -42.3 | 172.8 | -82.6 | -174.5 | 147.8 | 0 | 0 | 112.3 | L225 A226 E227 N232 M233 | L225-E229 WeakPolarHBondContact O-CB 3.32Å; L225-E229 WeakPolarHBondContact O-CG 3.47Å; L225-E229 PolarHBondContact O-N 3.48Å; A226-E229 PolarHBondContact O-N 2.99Å; E227-E229 PolarHBondContact O-N 2.91Å; E229-N232 PolarHBondContact O-N 2.74Å; E229-M233 WeakPolarHBondContact O-CB 3.19Å; E229-M233 WeakPolarHBondContact O-CG 3.33Å; E229-M233 PolarHBondContact O-N 2.64Å |
| 230 | L | 58.5 | Low | 57.8 | Low | 115 Ų | 115 | 96.9 Ų | 96.9 | 60% | 0.602 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 177 | -81.4 | 155.8 | 0 | 0 | 0 | 111.7 | A226 E227 M233 A234 | A226-L230 WeakPolarHBondContact O-CB 3.36Å; A226-L230 VanDerWaalsContact O-CD1 3.29Å; A226-L230 WeakPolarHBondContact O-CD1 3.32Å; A226-L230 VanDerWaalsContact O-CG 3.26Å; A226-L230 WeakPolarHBondContact O-CG 3.01Å; A226-L230 PolarHBondContact O-N 2.84Å; E227-L230 PolarHBondContact O-N 3.02Å; L230-M233 PolarHBondContact O-N 3.41Å; L230-A234 WeakPolarHBondContact O-CB 3.21Å; L230-A234 PolarHBondContact O-N 3.02Å |
| 231 | E | 59.7 | Low | 59.7 | Low | 121 Ų | 121 | 92.4 Ų | 92.4 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64 | -44 | 172.7 | -76.2 | -175.3 | 165.3 | 0 | 0 | 111.5 | E227 M233 A234 M235 | E227-E231 WeakPolarHBondContact O-CB 3.4Å; E227-E231 WeakPolarHBondContact O-CG 3.48Å; E227-E231 PolarHBondContact O-N 3.26Å; E231-M233 VanDerWaalsContact C-N 3.31Å; E231-M233 PolarHBondContact O-N 2.94Å; E231-A234 PolarHBondContact O-N 3.11Å; E231-M235 VanDerWaalsContact O-CB 3.3Å; E231-M235 WeakPolarHBondContact O-CB 3.42Å; E231-M235 WeakPolarHBondContact O-CG 3.21Å; E231-M235 PolarHBondContact O-N 2.94Å |
| 232 | N | 58 | Low | 61.7 | Low | 71 Ų | 71 | 91.6 Ų | 91.6 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.8 | -36.5 | 177.2 | -78.1 | -40.5 | 0 | 0 | 0 | 112.4 | T228 E229 Q236 Q245 | T228-N232 VanDerWaalsContact O-CB 3.23Å; T228-N232 WeakPolarHBondContact O-CB 3.42Å; T228-N232 PolarHBondContact O-N 3.14Å; T228-N232 PolarHBondContact O-ND2 2.85Å; E229-N232 PolarHBondContact O-N 2.74Å; N232-Q236 WeakPolarHBondContact O-CB 3.49Å; N232-Q236 WeakPolarHBondContact O-CG 3.35Å; N232-Q236 PolarHBondContact O-N 3.14Å; N232-Q245 PolarHBondContact O-NE2 3.27Å; N232-Q245 VanDerWaalsContact O-NE2 3.11Å |
| 233 | M | 58.1 | Low | 63.6 | Low | 115 Ų | 115 | 88.6 Ų | 88.6 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68.3 | -47.2 | 174 | -73.3 | 179.7 | -171.7 | 0 | 0 | 111.4 | E229 L230 E231 M235 Q236 | E229-M233 WeakPolarHBondContact O-CB 3.19Å; E229-M233 WeakPolarHBondContact O-CG 3.33Å; E229-M233 PolarHBondContact O-N 2.64Å; L230-M233 PolarHBondContact O-N 3.41Å; E231-M233 VanDerWaalsContact C-N 3.31Å; E231-M233 PolarHBondContact O-N 2.94Å; M233-M235 PolarHBondContact O-N 3.33Å; M233-Q236 PolarHBondContact O-N 3.16Å; M233-Q236 VanDerWaalsContact O-N 3.14Å |
| 234 | A | 56.3 | Low | 65.8 | Low | 60 Ų | 60 | 84.6 Ų | 84.6 | 50% | 0.496 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.4 | -37 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L230 E231 Q236 E237 | L230-A234 WeakPolarHBondContact O-CB 3.21Å; L230-A234 PolarHBondContact O-N 3.02Å; E231-A234 PolarHBondContact O-N 3.11Å; A234-Q236 VanDerWaalsContact C-N 3.31Å; A234-Q236 PolarHBondContact O-N 3.4Å; A234-E237 PolarHBondContact O-N 2.94Å |
| 235 | M | 56.3 | Low | 67.6 | Low | 35 Ų | 35 | 79.6 Ų | 79.6 | 17% | 0.172 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.7 | -24.8 | 174.7 | -68.7 | -173.6 | 91.5 | 0 | 0 | 112.8 | E231 M233 E237 G241 F244 | E231-M235 VanDerWaalsContact O-CB 3.3Å; E231-M235 WeakPolarHBondContact O-CB 3.42Å; E231-M235 WeakPolarHBondContact O-CG 3.21Å; E231-M235 PolarHBondContact O-N 2.94Å; M233-M235 PolarHBondContact O-N 3.33Å; M235-E237 VanDerWaalsContact C-N 3.33Å; M235-G241 CarbonylContact O-C 3.6Å; M235-G241 VanDerWaalsContact O-C 3.24Å; M235-G241 WeakPolarHBondContact O-CA 3.25Å; M235-F244 HydrophobicContact CE-CD1 3.34Å; M235-F244 HydrophobicContact CE-CE1 3.79Å; M235-F244 HydrophobicContact CE-CG 4.39Å |
| 236 | Q | 55.6 | Low | 69.4 | Low | 99 Ų | 99 | 80.9 Ų | 80.9 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -78.1 | -15.3 | 178.4 | -81.2 | 170 | 11.6 | 0 | 0 | 113.9 | N232 M233 A234 K242 Q245 | N232-Q236 WeakPolarHBondContact O-CB 3.49Å; N232-Q236 WeakPolarHBondContact O-CG 3.35Å; N232-Q236 PolarHBondContact O-N 3.14Å; M233-Q236 PolarHBondContact O-N 3.16Å; M233-Q236 VanDerWaalsContact O-N 3.14Å; A234-Q236 VanDerWaalsContact C-N 3.31Å; A234-Q236 PolarHBondContact O-N 3.4Å; Q236-K242 WeakPolarHBondContact O-CE 3.2Å; Q236-Q245 VanDerWaalsContact CG-OE1 3.25Å |
| 237 | E | 62.1 | Low | 71 | Confident | 170 Ų | 170 | 79.4 Ų | 79.4 | 79% | 0.794 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -75 | -24.8 | -178.6 | -67.1 | -168.9 | 157.7 | 0 | 0 | 113.4 | A234 M235 | A234-E237 PolarHBondContact O-N 2.94Å; M235-E237 VanDerWaalsContact C-N 3.33Å |
| 238 | T | 78.2 | Confident | 72.6 | Confident | 76 Ų | 76 | 77.6 Ų | 77.6 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -103.9 | 146.9 | 179.3 | 66.5 | 0 | 0 | 0 | 0 | 111.7 | D240 G241 K242 | T238-D240 PolarHBondContact O-N 2.96Å; T238-G241 PolarHBondContact O-N 2.9Å; T238-G241 PolarHBondContact OG1-N 2.84Å; T238-G241 VanDerWaalsContact OG1-N 3.1Å; T238-K242 PolarHBondContact O-N 2.87Å |
| 239 | E | 79.6 | Confident | 74.1 | Confident | 124 Ų | 124 | 83.7 Ų | 83.7 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.2 | -32.6 | 172.9 | -70.5 | -61.2 | 117.8 | 0 | 0 | 111.6 | K242 V243 | E239-K242 PolarHBondContact O-N 2.96Å; E239-K242 IonicContact OE1-NZ 2.67Å; E239-K242 PolarHBondContact OE1-NZ 2.81Å; E239-V243 WeakPolarHBondContact O-CG2 3.36Å; E239-V243 PolarHBondContact O-N 2.84Å; E239-V243 VanDerWaalsContact O-N 3.15Å |
| 240 | D | 83.3 | Confident | 75.5 | Confident | 23 Ų | 23 | 82.9 Ų | 82.9 | 12% | 0.123 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 177.6 | -162 | 61 | 0 | 0 | 0 | 112.8 | T238 K242 V243 F244 S271 S272 T344 | T238-D240 PolarHBondContact O-N 2.96Å; D240-K242 VanDerWaalsContact C-N 3.29Å; D240-K242 PolarHBondContact O-N 3.38Å; D240-V243 PolarHBondContact O-N 3.31Å; D240-V243 VanDerWaalsContact O-N 3.12Å; D240-F244 PolarHBondContact O-N 3.22Å; D240-S271 WeakPolarHBondContact OD1-CA 3.15Å; D240-S271 WeakPolarHBondContact OD1-CB 3.31Å; D240-S271 PolarHBondContact OD1-OG 3.34Å; D240-S272 WeakPolarHBondContact CA-OG 3.28Å; D240-S272 PolarHBondContact N-OG 2.78Å; D240-S272 PolarHBondContact OD1-N 3.17Å; D240-S272 PolarHBondContact OD1-OG 3.01Å; D240-T344 WeakPolarHBondContact OD2-CB 3.36Å; D240-T344 WeakPolarHBondContact OD2-CG2 3.39Å; D240-T344 PolarHBondContact OD2-OG1 3.16Å |
| 241 | G | 82.1 | Confident | 77.1 | Confident | 4 Ų | 4 | 79.1 Ų | 79.1 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.9 | -28.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M235 T238 F244 Q245 | M235-G241 CarbonylContact O-C 3.6Å; M235-G241 VanDerWaalsContact O-C 3.24Å; M235-G241 WeakPolarHBondContact O-CA 3.25Å; T238-G241 PolarHBondContact O-N 2.9Å; T238-G241 PolarHBondContact OG1-N 2.84Å; T238-G241 VanDerWaalsContact OG1-N 3.1Å; G241-F244 PolarHBondContact O-N 3.15Å; G241-Q245 WeakPolarHBondContact O-CB 3.21Å; G241-Q245 VanDerWaalsContact O-CG 3.3Å; G241-Q245 WeakPolarHBondContact O-CG 3.23Å; G241-Q245 PolarHBondContact O-N 3.45Å |
| 242 | K | 85.4 | Confident | 78.6 | Confident | 98 Ų | 98 | 76.7 Ų | 76.7 | 43% | 0.426 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 168.5 | -66.9 | 175.5 | -166.8 | 165.6 | 0 | 112.2 | Q236 T238 E239 D240 Q245 K246 | Q236-K242 WeakPolarHBondContact O-CE 3.2Å; T238-K242 PolarHBondContact O-N 2.87Å; E239-K242 PolarHBondContact O-N 2.96Å; E239-K242 IonicContact OE1-NZ 2.67Å; E239-K242 PolarHBondContact OE1-NZ 2.81Å; D240-K242 VanDerWaalsContact C-N 3.29Å; D240-K242 PolarHBondContact O-N 3.38Å; K242-Q245 PolarHBondContact O-N 2.81Å; K242-K246 WeakPolarHBondContact O-CB 3.45Å; K242-K246 PolarHBondContact O-N 3.43Å |
| 243 | V | 87.8 | Confident | 80.1 | Confident | 42 Ų | 42 | 75.8 Ų | 75.8 | 26% | 0.255 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 176.7 | 172 | 0 | 0 | 0 | 0 | 110.4 | E239 D240 K246 F247 W269 | E239-V243 WeakPolarHBondContact O-CG2 3.36Å; E239-V243 PolarHBondContact O-N 2.84Å; E239-V243 VanDerWaalsContact O-N 3.15Å; D240-V243 PolarHBondContact O-N 3.31Å; D240-V243 VanDerWaalsContact O-N 3.12Å; V243-K246 WeakPolarHBondContact O-CB 3.33Å; V243-K246 PolarHBondContact O-N 3.24Å; V243-F247 PolarHBondContact O-N 3.04Å; V243-W269 HydrophobicContact CG1-CB 4.4Å; V243-W269 WeakPolarHBondContact CG1-O 3.24Å |
| 244 | F | 88.6 | Confident | 81.8 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 19% | 0.193 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 178.4 | -173.4 | -108.9 | 0 | 0 | 0 | 112.9 | M235 D240 G241 K246 F247 K248 V270 F343 | M235-F244 HydrophobicContact CE-CD1 3.34Å; M235-F244 HydrophobicContact CE-CE1 3.79Å; M235-F244 HydrophobicContact CE-CG 4.39Å; D240-F244 PolarHBondContact O-N 3.22Å; G241-F244 PolarHBondContact O-N 3.15Å; F244-K246 VanDerWaalsContact C-N 3.35Å; F244-F247 WeakPolarHBondContact O-CB 3.22Å; F244-F247 PolarHBondContact O-N 2.89Å; F244-K248 HydrophobicContact CD1-CD 4.02Å; F244-K248 HydrophobicContact CD1-CG 4.27Å; F244-K248 HydrophobicContact CE1-CD 3.48Å; F244-K248 VanDerWaalsContact CE1-CD 3.48Å; F244-K248 HydrophobicContact CE1-CG 3.98Å; F244-K248 HydrophobicContact CZ-CD 3.92Å; F244-K248 HydrophobicContact CZ-CG 4.11Å; F244-K248 WeakPolarHBondContact O-CG 3.16Å; F244-K248 PolarHBondContact O-N 2.91Å; F244-V270 HydrophobicContact CD2-CB 4.46Å; F244-V270 WeakPolarHBondContact CD2-O 3.25Å; F244-F343 HydrophobicContact CD2-CD1 4.38Å; F244-F343 AromaticContact CE2-CD1 3.71Å; F244-F343 HydrophobicContact CE2-CD1 3.71Å; F244-F343 AromaticContact CE2-CE1 3.71Å; F244-F343 HydrophobicContact CE2-CE1 3.71Å |
| 245 | Q | 85.7 | Confident | 83.5 | Confident | 23 Ų | 23 | 74.4 Ų | 74.4 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | 172.3 | -78.4 | -177.3 | 4.2 | 0 | 0 | 111.8 | N232 Q236 G241 K242 F247 K248 R249 | N232-Q245 PolarHBondContact O-NE2 3.27Å; N232-Q245 VanDerWaalsContact O-NE2 3.11Å; Q236-Q245 VanDerWaalsContact CG-OE1 3.25Å; G241-Q245 WeakPolarHBondContact O-CB 3.21Å; G241-Q245 VanDerWaalsContact O-CG 3.3Å; G241-Q245 WeakPolarHBondContact O-CG 3.23Å; G241-Q245 PolarHBondContact O-N 3.45Å; K242-Q245 PolarHBondContact O-N 2.81Å; Q245-F247 VanDerWaalsContact C-N 3.32Å; Q245-K248 PolarHBondContact O-N 2.84Å; Q245-R249 WeakPolarHBondContact O-CB 3.45Å; Q245-R249 PolarHBondContact O-N 3.08Å |
| 246 | K | 88.9 | Confident | 85.3 | Confident | 136 Ų | 136 | 78.8 Ų | 78.8 | 59% | 0.591 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.2 | -41.9 | 173.7 | -176.5 | -177.9 | 178.9 | -177.6 | 0 | 111.2 | K242 V243 F244 R250 | K242-K246 WeakPolarHBondContact O-CB 3.45Å; K242-K246 PolarHBondContact O-N 3.43Å; V243-K246 WeakPolarHBondContact O-CB 3.33Å; V243-K246 PolarHBondContact O-N 3.24Å; F244-K246 VanDerWaalsContact C-N 3.35Å; K246-R250 WeakPolarHBondContact O-CB 3.42Å; K246-R250 PolarHBondContact O-N 3.02Å |
| 247 | F | 91.3 | Very high | 87.2 | Confident | 5 Ų | 5 | 74.2 Ų | 74.2 | 2% | 0.022 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.8 | -57 | 172.7 | 176.2 | -86.7 | 0 | 0 | 0 | 110.7 | V243 F244 Q245 R249 R250 I251 L268 V270 M297 P298 | V243-F247 PolarHBondContact O-N 3.04Å; F244-F247 WeakPolarHBondContact O-CB 3.22Å; F244-F247 PolarHBondContact O-N 2.89Å; Q245-F247 VanDerWaalsContact C-N 3.32Å; F247-R249 PolarHBondContact O-N 3.36Å; F247-R250 PolarHBondContact O-N 3.12Å; F247-R250 VanDerWaalsContact O-N 3.07Å; F247-I251 HydrophobicContact CD1-CD1 4.05Å; F247-I251 HydrophobicContact CD1-CG1 4.45Å; F247-I251 HydrophobicContact CE1-CD1 3.47Å; F247-I251 VanDerWaalsContact CE1-CD1 3.47Å; F247-I251 HydrophobicContact CE1-CG1 4.25Å; F247-I251 HydrophobicContact CE1-CG2 4.38Å; F247-I251 HydrophobicContact CE2-CG2 4.45Å; F247-I251 HydrophobicContact CZ-CD1 4.11Å; F247-I251 HydrophobicContact CZ-CG2 4.21Å; F247-I251 WeakPolarHBondContact O-CG1 3.5Å; F247-I251 PolarHBondContact O-N 3.11Å; F247-L268 HydrophobicContact CD2-CD2 3.57Å; F247-L268 HydrophobicContact CD2-CG 3.66Å; F247-L268 HydrophobicContact CE2-CD2 3.95Å; F247-L268 HydrophobicContact CE2-CG 4.3Å; F247-L268 HydrophobicContact CG-CD2 4.24Å; F247-L268 HydrophobicContact CG-CG 4.45Å; F247-V270 HydrophobicContact CD1-CG1 4.19Å; F247-V270 HydrophobicContact CD2-CG1 3.66Å; F247-V270 HydrophobicContact CE1-CG1 4Å; F247-V270 HydrophobicContact CE2-CG1 3.48Å; F247-V270 VanDerWaalsContact CE2-CG1 3.48Å; F247-V270 HydrophobicContact CG-CG1 4.05Å; F247-V270 HydrophobicContact CZ-CG1 3.67Å; F247-M297 HydrophobicContact CE2-CE 3.79Å; F247-M297 HydrophobicContact CZ-CE 3.72Å; F247-P298 HydrophobicContact CZ-CG 4.25Å |
| 248 | K | 89.9 | Confident | 88.9 | Confident | 82 Ų | 82 | 66.1 Ų | 66.1 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -54.5 | -47.9 | 179.5 | -75.2 | -166 | -73.5 | -172.8 | 0 | 112.1 | F244 Q245 R250 I251 A252 | F244-K248 HydrophobicContact CD1-CD 4.02Å; F244-K248 HydrophobicContact CD1-CG 4.27Å; F244-K248 HydrophobicContact CE1-CD 3.48Å; F244-K248 VanDerWaalsContact CE1-CD 3.48Å; F244-K248 HydrophobicContact CE1-CG 3.98Å; F244-K248 HydrophobicContact CZ-CD 3.92Å; F244-K248 HydrophobicContact CZ-CG 4.11Å; F244-K248 WeakPolarHBondContact O-CG 3.16Å; F244-K248 PolarHBondContact O-N 2.91Å; Q245-K248 PolarHBondContact O-N 2.84Å; K248-R250 VanDerWaalsContact C-N 3.31Å; K248-R250 PolarHBondContact O-N 3.12Å; K248-I251 WeakPolarHBondContact O-CG1 3.42Å; K248-I251 PolarHBondContact O-N 2.78Å; K248-A252 WeakPolarHBondContact O-CB 3.26Å; K248-A252 PolarHBondContact O-N 3.43Å |
| 249 | R | 90.4 | Very high | 89.8 | Confident | 195 Ų | 195 | 62.5 Ų | 62.5 | 74% | 0.736 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 178.6 | -170.7 | -175.4 | -60.3 | 175.2 | 1.1 | 111.9 | Q245 F247 A252 | Q245-R249 WeakPolarHBondContact O-CB 3.45Å; Q245-R249 PolarHBondContact O-N 3.08Å; F247-R249 PolarHBondContact O-N 3.36Å; R249-A252 PolarHBondContact O-N 2.98Å |
| 250 | R | 89.9 | Confident | 90.7 | Very high | 103 Ų | 103 | 57.1 Ų | 57.1 | 39% | 0.389 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.6 | -36.5 | -179.7 | -179.1 | 58.8 | 65.3 | 85.9 | 1.3 | 112.4 | E198 K246 F247 K248 L268 | E198-R250 WeakPolarHBondContact OE1-CD 3.16Å; K246-R250 WeakPolarHBondContact O-CB 3.42Å; K246-R250 PolarHBondContact O-N 3.02Å; F247-R250 PolarHBondContact O-N 3.12Å; F247-R250 VanDerWaalsContact O-N 3.07Å; K248-R250 VanDerWaalsContact C-N 3.31Å; K248-R250 PolarHBondContact O-N 3.12Å; R250-L268 HydrophobicContact CB-CD1 4.11Å; R250-L268 HydrophobicContact CB-CD2 3.88Å; R250-L268 HydrophobicContact CG-CD1 4.11Å; R250-L268 HydrophobicContact CG-CD2 3.77Å |
| 251 | I | 91.9 | Very high | 91.3 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 19% | 0.185 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -85.8 | -12.3 | 179.6 | 66.2 | 164.3 | 0 | 0 | 0 | 113.2 | F247 K248 S253 E254 P255 L268 M297 | F247-I251 HydrophobicContact CD1-CD1 4.05Å; F247-I251 HydrophobicContact CD1-CG1 4.45Å; F247-I251 HydrophobicContact CE1-CD1 3.47Å; F247-I251 VanDerWaalsContact CE1-CD1 3.47Å; F247-I251 HydrophobicContact CE1-CG1 4.25Å; F247-I251 HydrophobicContact CE1-CG2 4.38Å; F247-I251 HydrophobicContact CE2-CG2 4.45Å; F247-I251 HydrophobicContact CZ-CD1 4.11Å; F247-I251 HydrophobicContact CZ-CG2 4.21Å; F247-I251 WeakPolarHBondContact O-CG1 3.5Å; F247-I251 PolarHBondContact O-N 3.11Å; K248-I251 WeakPolarHBondContact O-CG1 3.42Å; K248-I251 PolarHBondContact O-N 2.78Å; I251-S253 PolarHBondContact O-N 3.05Å; I251-E254 CarbonylContact O-C 3.55Å; I251-E254 PolarHBondContact O-N 2.9Å; I251-P255 WeakPolarHBondContact O-CA 3.23Å; I251-P255 VanDerWaalsContact O-N 3.11Å; I251-L268 HydrophobicContact CG2-CD2 3.9Å; I251-M297 HydrophobicContact CG2-CE 3.65Å |
| 252 | A | 91 | Very high | 92 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | K248 R249 | K248-A252 WeakPolarHBondContact O-CB 3.26Å; K248-A252 PolarHBondContact O-N 3.43Å; R249-A252 PolarHBondContact O-N 2.98Å |
| 253 | S | 90.1 | Very high | 92.4 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 36% | 0.364 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -38.2 | 175.1 | 57.6 | 0 | 0 | 0 | 0 | 112 | I251 | I251-S253 PolarHBondContact O-N 3.05Š|
| 254 | E | 93.5 | Very high | 92.6 | Very high | 82 Ų | 82 | 62.2 Ų | 62.2 | 38% | 0.383 | 30% | 0.295 | S | S | . | . | trans | -134.5 | 70.8 | -174.7 | -66.5 | -56.5 | 154 | 0 | 0 | 110.8 | L8 F10 I251 H256 Q257 | L8-E254 HydrophobicContact CD1-CB 3.9Å; L8-E254 HydrophobicContact CD1-CG 3.83Å; F10-E254 HydrophobicContact CE1-CB 4.35Å; F10-E254 HydrophobicContact CZ-CB 4.25Å; F10-E254 HydrophobicContact CZ-CG 4.29Å; I251-E254 CarbonylContact O-C 3.55Å; I251-E254 PolarHBondContact O-N 2.9Å; E254-H256 PolarHBondContact O-N 3.37Å; E254-Q257 WeakPolarHBondContact O-CB 3.49Å; E254-Q257 WeakPolarHBondContact O-CG 3.46Å; E254-Q257 PolarHBondContact O-N 2.98Å; E254-Q257 PolarHBondContact O-NE2 2.54Å | ||
| 255 | P | 92.8 | Very high | 92.8 | Very high | 64 Ų | 64 | 61.1 Ų | 61.1 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -20.9 | -173.4 | 26.8 | -35 | 0 | 0 | 0 | 113.3 | I251 Q257 | I251-P255 WeakPolarHBondContact O-CA 3.23Å; I251-P255 VanDerWaalsContact O-N 3.11Å; P255-Q257 VanDerWaalsContact C-N 3.28Å; P255-Q257 PolarHBondContact O-N 3.45Å |
| 256 | H | 93.1 | Very high | 93 | Very high | 128 Ų | 128 | 64.2 Ų | 64.2 | 59% | 0.593 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -0.5 | -179.5 | -65.5 | -67.4 | 0 | 0 | 0 | 114.1 | E254 V258 | E254-H256 PolarHBondContact O-N 3.37Å; H256-V258 PolarHBondContact O-N 3.15Å |
| 257 | Q | 95.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.009 | 30% | 0.297 | C | S | . | . | trans | -63.1 | 127.8 | 179 | 68.9 | -171.2 | -78.5 | 0 | 0 | 111.9 | L8 G9 F10 E254 P255 M297 Q299 | L8-Q257 HydrophobicContact CB-CB 4.49Å; G9-Q257 CarbonylContact O-C 3.08Å; G9-Q257 WeakPolarHBondContact O-CA 3.44Å; F10-Q257 HydrophobicContact CE1-CB 4.09Å; F10-Q257 HydrophobicContact CZ-CB 4.49Å; E254-Q257 WeakPolarHBondContact O-CB 3.49Å; E254-Q257 WeakPolarHBondContact O-CG 3.46Å; E254-Q257 PolarHBondContact O-N 2.98Å; E254-Q257 PolarHBondContact O-NE2 2.54Å; P255-Q257 VanDerWaalsContact C-N 3.28Å; P255-Q257 PolarHBondContact O-N 3.45Å; Q257-M297 HydrophobicContact CG-CE 4.43Å; Q257-M297 HydrophobicContact CG-CG 4.2Å; Q257-M297 VanDerWaalsContact O-CB 3.22Å; Q257-M297 WeakPolarHBondContact O-CB 3.37Å; Q257-Q299 WeakPolarHBondContact O-CB 3.44Å | ||
| 258 | V | 97.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | trans | -103.3 | -17.5 | 179 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | G9 L11 L193 H256 M297 Q299 L300 | G9-V258 WeakPolarHBondContact O-CG2 3.34Å; G9-V258 PolarHBondContact O-N 2.73Å; L11-V258 HydrophobicContact CD1-CG1 4.04Å; L11-V258 HydrophobicContact CD1-CG2 4.44Å; L11-V258 HydrophobicContact CD2-CG2 3.84Å; L11-V258 HydrophobicContact CG-CB 4.48Å; L11-V258 HydrophobicContact CG-CG1 4.05Å; L11-V258 HydrophobicContact CG-CG2 3.79Å; L193-V258 HydrophobicContact CD1-CG2 3.5Å; L193-V258 VanDerWaalsContact CD1-CG2 3.5Å; H256-V258 PolarHBondContact O-N 3.15Å; V258-M297 PolarHBondContact O-N 3.47Å; V258-Q299 HydrophobicContact CG1-CG 4.28Å; V258-L300 HydrophobicContact CB-CB 4.09Å; V258-L300 HydrophobicContact CB-CD1 4.23Å; V258-L300 HydrophobicContact CG1-CB 4.21Å; V258-L300 HydrophobicContact CG1-CD1 4.29Å | ||
| 259 | L | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.2 | 179.6 | -173.2 | 88.8 | 0 | 0 | 0 | 109.6 | L8 G9 M59 V61 L193 T195 F294 Q295 | L8-L259 CarbonylContact C-O 3.49Å; L8-L259 WeakPolarHBondContact CA-O 3.4Å; G9-L259 PolarHBondContact N-O 2.99Å; G9-L259 PolarHBondContact O-N 2.96Å; M59-L259 HydrophobicContact CE-CD1 3.89Å; V61-L259 HydrophobicContact CG1-CD2 4.43Å; V61-L259 HydrophobicContact CG2-CD1 4.09Å; V61-L259 HydrophobicContact CG2-CD2 4.28Å; L193-L259 HydrophobicContact CD1-CB 4.21Å; L193-L259 HydrophobicContact CD2-CD2 4Å; T195-L259 HydrophobicContact CG2-CD2 4.35Å; L259-F294 HydrophobicContact CD1-CB 4.23Å; L259-F294 HydrophobicContact CD1-CD2 3.39Å; L259-F294 HydrophobicContact CD1-CE2 3.88Å; L259-F294 HydrophobicContact CD1-CG 3.96Å; L259-Q295 CarbonylContact C-O 3.56Å; L259-Q295 WeakPolarHBondContact CA-O 3.4Å |
| 260 | R | 97.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 4% | 0.038 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 114.2 | 159.7 | -55.7 | 175.6 | 64.8 | 99.7 | -2.1 | 109.2 | V6 A7 L8 E198 F294 Q295 M297 | V6-R260 HydrophobicContact CG1-CB 4.06Å; A7-R260 CarbonylContact O-C 3.44Å; A7-R260 WeakPolarHBondContact O-CA 3.25Å; L8-R260 HydrophobicContact CD2-CG 3.9Å; E198-R260 IonicContact OE1-CZ 2.65Å; E198-R260 IonicContact OE1-NH1 3.8Å; E198-R260 PolarHBondContact OE1-NH1 3.36Å; E198-R260 VanDerWaalsContact OE1-NH1 3.1Å; E198-R260 IonicContact OE1-NH2 2.96Å; E198-R260 PolarHBondContact OE1-NH2 2.84Å; E198-R260 IonicContact OE2-CZ 2.65Å; E198-R260 IonicContact OE2-NH2 3.92Å; E198-R260 PolarHBondContact OE2-NH2 3.3Å; R260-F294 CarbonylContact O-C 3.16Å; R260-F294 VanDerWaalsContact O-CA 3.31Å; R260-F294 WeakPolarHBondContact O-CA 3.34Å; R260-F294 WeakPolarHBondContact O-CB 3.16Å; R260-Q295 HydrophobicContact CB-CG 3.68Å; R260-Q295 HydrophobicContact CG-CG 4.31Å; R260-Q295 PolarHBondContact N-O 3.41Å; R260-Q295 PolarHBondContact O-N 2.97Å; R260-M297 HydrophobicContact CG-CG 4.2Å; R260-M297 HydrophobicContact CG-SD 3.88Å |
| 261 | Y | 97.4 | Very high | 93.5 | Very high | 37 Ų | 37 | 43 Ų | 43 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 121.9 | -179.6 | -172.8 | -84.2 | 0 | 0 | 0 | 110 | A7 V61 A63 R263 E293 F294 | A7-Y261 PolarHBondContact N-O 2.75Å; A7-Y261 PolarHBondContact O-N 3.31Å; V61-Y261 HydrophobicContact CG1-CD2 4.24Å; V61-Y261 HydrophobicContact CG1-CE2 4.41Å; A63-Y261 HydrophobicContact CB-CE2 3.8Å; A63-Y261 WeakPolarHBondContact CB-OH 3.39Å; Y261-R263 HydrophobicContact CE1-CB 4.34Å; Y261-E293 HydrophobicContact CE2-CG 4.03Å; Y261-E293 PolarHBondContact OH-OE1 3.4Å; Y261-E293 VanDerWaalsContact OH-OE1 3.13Å; Y261-F294 HydrophobicContact CD2-CB 3.75Å; Y261-F294 HydrophobicContact CD2-CD1 4.13Å; Y261-F294 HydrophobicContact CD2-CG 4.35Å; Y261-F294 HydrophobicContact CE2-CD1 4.29Å; Y261-F294 HydrophobicContact CG-CB 4.31Å |
| 262 | F | 95.5 | Very high | 93.3 | Very high | 68 Ų | 68 | 43.7 Ų | 43.7 | 30% | 0.298 | 25% | 0.246 | S | C | . | . | trans | -159 | 80.2 | 178.9 | -174 | -144 | 0 | 0 | 0 | 110.8 | V6 G265 F292 E293 | V6-F262 HydrophobicContact CG1-CB 4.47Å; V6-F262 HydrophobicContact CG2-CB 4.12Å; V6-F262 HydrophobicContact CG2-CD1 4.03Å; V6-F262 HydrophobicContact CG2-CD2 4.36Å; V6-F262 HydrophobicContact CG2-CG 3.93Å; F262-G265 VanDerWaalsContact CD1-CA 3.45Å; F262-G265 VanDerWaalsContact CE1-CA 3.42Å; F262-G265 WeakPolarHBondContact O-CA 2.83Å; F262-G265 PolarHBondContact O-N 3.04Å; F262-F292 HydrophobicContact CB-CE1 4.23Å; F262-F292 WeakPolarHBondContact O-CD1 3.43Å; F262-F292 WeakPolarHBondContact O-CE1 3.33Å; F262-E293 CarbonylContact C-O 3.24Å; F262-E293 VanDerWaalsContact C-O 3.26Å; F262-E293 PolarHBondContact N-O 2.97Å | ||
| 263 | R | 94.3 | Very high | 93.1 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 26% | 0.26 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 135.7 | -176.2 | -172.9 | 176.6 | -171.2 | -91.3 | 0 | 112.2 | Y261 G265 I291 F292 E293 A324 | Y261-R263 HydrophobicContact CE1-CB 4.34Å; R263-G265 PolarHBondContact O-N 2.91Å; R263-I291 HydrophobicContact CG-CD1 4.17Å; R263-F292 WeakPolarHBondContact CA-O 3.3Å; R263-E293 WeakPolarHBondContact CD-OE1 3.12Å; R263-E293 WeakPolarHBondContact CD-OE2 3.46Å; R263-E293 PolarHBondContact N-O 3.15Å; R263-E293 IonicContact NE-OE1 2.77Å; R263-E293 IonicContact NE-OE2 3.41Å; R263-E293 PolarHBondContact NE-OE2 2.95Å; R263-A324 PolarHBondContact NH2-O 3.12Å |
| 264 | D | 92.9 | Very high | 92.9 | Very high | 100 Ų | 100 | 46 Ų | 46 | 54% | 0.535 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 14.5 | -172.3 | -152.2 | 34.5 | 0 | 0 | 0 | 113.9 | R289 I291 F292 | D264-R289 IonicContact OD1-NH2 3.83Å; D264-I291 HydrophobicContact CB-CD1 3.99Å; D264-F292 PolarHBondContact N-O 2.74Å |
| 265 | G | 91.3 | Very high | 92.7 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -92.2 | -159.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | F262 R263 F292 | F262-G265 VanDerWaalsContact CD1-CA 3.45Å; F262-G265 VanDerWaalsContact CE1-CA 3.42Å; F262-G265 WeakPolarHBondContact O-CA 2.83Å; F262-G265 PolarHBondContact O-N 3.04Å; R263-G265 PolarHBondContact O-N 2.91Å; G265-F292 WeakPolarHBondContact O-CB 3.2Å |
| 266 | S | 90.6 | Very high | 92.4 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | trans | -121.7 | 137.8 | 176.2 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 267 | P | 93.6 | Very high | 91.8 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 10% | 0.097 | 23% | 0.227 | C | C | . | . | trans | -64.2 | 149.8 | 172.2 | -17.5 | 29.1 | 0 | 0 | 0 | 112.7 | W269 F292 A319 | P267-W269 HydrophobicContact CB-CD2 4.08Å; P267-W269 HydrophobicContact CB-CE3 4.39Å; P267-W269 HydrophobicContact CB-CH2 4.01Å; P267-W269 HydrophobicContact CB-CZ2 3.64Å; P267-W269 HydrophobicContact CB-CZ3 4.36Å; P267-W269 HydrophobicContact CG-CH2 3.87Å; P267-W269 HydrophobicContact CG-CZ2 3.4Å; P267-F292 HydrophobicContact CB-CE2 4.05Å; P267-F292 HydrophobicContact CB-CZ 4.21Å; P267-F292 HydrophobicContact CG-CD1 4.48Å; P267-F292 HydrophobicContact CG-CD2 3.55Å; P267-F292 HydrophobicContact CG-CE1 4.46Å; P267-F292 HydrophobicContact CG-CE2 3.53Å; P267-F292 HydrophobicContact CG-CG 4.03Å; P267-F292 HydrophobicContact CG-CZ 4Å; P267-A319 HydrophobicContact CB-CB 4.2Å; P267-A319 HydrophobicContact CG-CB 3.83Å | ||
| 268 | L | 93.1 | Very high | 90.7 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | trans | -85.4 | 104.3 | 164.4 | -173 | 75.6 | 0 | 0 | 0 | 108.5 | F247 R250 I251 | F247-L268 HydrophobicContact CD2-CD2 3.57Å; F247-L268 HydrophobicContact CD2-CG 3.66Å; F247-L268 HydrophobicContact CE2-CD2 3.95Å; F247-L268 HydrophobicContact CE2-CG 4.3Å; F247-L268 HydrophobicContact CG-CD2 4.24Å; F247-L268 HydrophobicContact CG-CG 4.45Å; R250-L268 HydrophobicContact CB-CD1 4.11Å; R250-L268 HydrophobicContact CB-CD2 3.88Å; R250-L268 HydrophobicContact CG-CD1 4.11Å; R250-L268 HydrophobicContact CG-CD2 3.77Å; I251-L268 HydrophobicContact CG2-CD2 3.9Å | ||
| 269 | W | 94.3 | Very high | 89.6 | Confident | 36 Ų | 36 | 59.3 Ų | 59.3 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | trans | -83.1 | 146.8 | -178.2 | -59 | 111.7 | 0 | 0 | 0 | 112.3 | V243 P267 V275 P276 T317 A319 W339 Q341 | V243-W269 HydrophobicContact CG1-CB 4.4Å; V243-W269 WeakPolarHBondContact CG1-O 3.24Å; P267-W269 HydrophobicContact CB-CD2 4.08Å; P267-W269 HydrophobicContact CB-CE3 4.39Å; P267-W269 HydrophobicContact CB-CH2 4.01Å; P267-W269 HydrophobicContact CB-CZ2 3.64Å; P267-W269 HydrophobicContact CB-CZ3 4.36Å; P267-W269 HydrophobicContact CG-CH2 3.87Å; P267-W269 HydrophobicContact CG-CZ2 3.4Å; W269-V275 HydrophobicContact CB-CG2 4.27Å; W269-V275 HydrophobicContact CD2-CG1 4.42Å; W269-V275 HydrophobicContact CD2-CG2 4.11Å; W269-V275 HydrophobicContact CG-CG2 3.85Å; W269-V275 HydrophobicContact CZ2-CG1 4.23Å; W269-P276 HydrophobicContact CH2-CG 3.76Å; W269-P276 HydrophobicContact CZ2-CG 3.73Å; W269-T317 HydrophobicContact CE3-CG2 3.7Å; W269-T317 HydrophobicContact CZ3-CG2 3.99Å; W269-A319 HydrophobicContact CH2-CB 3.72Å; W269-A319 HydrophobicContact CZ3-CB 4.14Å; W269-W339 AromaticContact CH2-CD1 3.78Å; W269-W339 HydrophobicContact CH2-CG 4.47Å; W269-W339 AromaticContact CZ3-CD1 3.78Å; W269-Q341 HydrophobicContact CE3-CB 4.24Å; W269-Q341 HydrophobicContact CZ3-CB 4.25Å | ||
| 270 | V | 90.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -86.9 | -20.9 | 175.3 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | F244 F247 Q341 F343 | F244-V270 HydrophobicContact CD2-CB 4.46Å; F244-V270 WeakPolarHBondContact CD2-O 3.25Å; F247-V270 HydrophobicContact CD1-CG1 4.19Å; F247-V270 HydrophobicContact CD2-CG1 3.66Å; F247-V270 HydrophobicContact CE1-CG1 4Å; F247-V270 HydrophobicContact CE2-CG1 3.48Å; F247-V270 VanDerWaalsContact CE2-CG1 3.48Å; F247-V270 HydrophobicContact CG-CG1 4.05Å; F247-V270 HydrophobicContact CZ-CG1 3.67Å; V270-Q341 HydrophobicContact CG2-CG 3.96Å; V270-F343 HydrophobicContact CB-CD1 3.89Å; V270-F343 HydrophobicContact CB-CE1 3.88Å; V270-F343 HydrophobicContact CG1-CD1 4.1Å; V270-F343 HydrophobicContact CG1-CE1 3.57Å; V270-F343 HydrophobicContact CG1-CZ 4.29Å; V270-F343 HydrophobicContact CG2-CD1 4.09Å; V270-F343 HydrophobicContact CG2-CE1 4.36Å |
| 271 | S | 89.6 | Confident | 88.6 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | trans | -138.1 | 151.5 | -177.6 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | D240 E273 Q341 T344 | D240-S271 WeakPolarHBondContact OD1-CA 3.15Å; D240-S271 WeakPolarHBondContact OD1-CB 3.31Å; D240-S271 PolarHBondContact OD1-OG 3.34Å; S271-E273 WeakPolarHBondContact OG-CB 3.42Å; S271-E273 PolarHBondContact OG-N 2.65Å; S271-Q341 PolarHBondContact O-NE2 2.77Å; S271-T344 WeakPolarHBondContact OG-CG2 3.28Å | ||
| 272 | S | 86.3 | Confident | 88.4 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -72.7 | -19.3 | 169 | 66 | 0 | 0 | 0 | 0 | 112.5 | D240 | D240-S272 WeakPolarHBondContact CA-OG 3.28Å; D240-S272 PolarHBondContact N-OG 2.78Å; D240-S272 PolarHBondContact OD1-N 3.17Å; D240-S272 PolarHBondContact OD1-OG 3.01Å |
| 273 | E | 86.9 | Confident | 88.5 | Confident | 103 Ų | 103 | 65.7 Ų | 65.7 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -86.4 | 156.5 | 177.8 | -57 | -172.5 | 161.6 | 0 | 0 | 111.5 | R89 S271 V275 Q341 | R89-E273 IonicContact NH2-OE2 2.99Å; R89-E273 PolarHBondContact NH2-OE2 2.89Å; S271-E273 WeakPolarHBondContact OG-CB 3.42Å; S271-E273 PolarHBondContact OG-N 2.65Å; E273-V275 PolarHBondContact O-N 3.47Å; E273-V275 VanDerWaalsContact O-N 3.09Å; E273-Q341 PolarHBondContact O-NE2 3.17Å |
| 274 | H | 87.6 | Confident | 88.5 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 55.1 | 30.8 | 174.4 | -160.9 | 69.5 | 0 | 0 | 0 | 114.6 | N90 W339 K340 | N90-H274 HydrophobicContact CB-CB 4.41Å; N90-H274 WeakPolarHBondContact CB-CD2 3.45Å; N90-H274 WeakPolarHBondContact CB-NE2 3.49Å; N90-H274 VanDerWaalsContact CG-CG 3.41Å; N90-H274 WeakPolarHBondContact ND2-CB 3.33Å; N90-H274 PolarHBondContact O-CE1 2.71Å; N90-H274 PolarHBondContact O-NE2 3.36Å; N90-H274 PolarHBondContact OD1-CD2 3.21Å; H274-W339 AromaticContact CD2-CE2 3.66Å; H274-W339 AromaticContact CD2-CZ2 3.67Å; H274-W339 AromaticContact CD2-NE1 3.36Å; H274-W339 PolarHBondContact CD2-NE1 3.46Å; H274-W339 AromaticContact CE1-CE2 3.95Å; H274-W339 AromaticContact CE1-CH2 3.83Å; H274-W339 AromaticContact CE1-CZ2 3.32Å; H274-W339 WeakPolarHBondContact CE1-CZ2 3.1Å; H274-W339 AromaticContact CG-CZ2 3.96Å; H274-W339 AromaticContact ND1-CZ2 3.76Å; H274-W339 AromaticContact NE2-CE2 3.37Å; H274-W339 AromaticContact NE2-CZ2 3.24Å; H274-W339 WeakPolarHBondContact NE2-CZ2 3.28Å; H274-W339 AromaticContact NE2-NE1 3.53Å; H274-W339 WeakPolarHBondContact O-CZ2 3.21Å; H274-W339 PolarHBondContact O-NE1 3.02Å; H274-K340 PolarHBondContact CD2-O 2.94Å; H274-K340 PolarHBondContact NE2-O 2.85Å |
| 275 | V | 87.9 | Confident | 88.5 | Confident | 57 Ų | 57 | 62.4 Ų | 62.4 | 35% | 0.345 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -80 | 129.6 | 167.1 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | W269 E273 V277 | W269-V275 HydrophobicContact CB-CG2 4.27Å; W269-V275 HydrophobicContact CD2-CG1 4.42Å; W269-V275 HydrophobicContact CD2-CG2 4.11Å; W269-V275 HydrophobicContact CG-CG2 3.85Å; W269-V275 HydrophobicContact CZ2-CG1 4.23Å; E273-V275 PolarHBondContact O-N 3.47Å; E273-V275 VanDerWaalsContact O-N 3.09Å; V275-V277 PolarHBondContact O-N 3.34Å |
| 276 | P | 86.5 | Confident | 88.7 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 129.3 | -177.7 | 26.3 | -30.7 | 0 | 0 | 0 | 110.6 | W269 I281 Y321 W339 | W269-P276 HydrophobicContact CH2-CG 3.76Å; W269-P276 HydrophobicContact CZ2-CG 3.73Å; P276-I281 HydrophobicContact CB-CG1 4.31Å; P276-Y321 VanDerWaalsContact CG-OH 3.31Å; P276-Y321 WeakPolarHBondContact CG-OH 3.38Å; P276-W339 HydrophobicContact CB-CD2 3.86Å; P276-W339 HydrophobicContact CB-CE3 4Å; P276-W339 HydrophobicContact CB-CG 4.43Å; P276-W339 HydrophobicContact CB-CH2 4.11Å; P276-W339 HydrophobicContact CB-CZ2 3.97Å; P276-W339 HydrophobicContact CB-CZ3 4.13Å; P276-W339 HydrophobicContact CG-CD2 4.07Å; P276-W339 HydrophobicContact CG-CG 4.13Å |
| 277 | V | 81.9 | Confident | 88.8 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 67% | 0.667 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 149.3 | 165 | -169.1 | 0 | 0 | 0 | 0 | 107.9 | V275 K279 G280 | V275-V277 PolarHBondContact O-N 3.34Å; V277-K279 PolarHBondContact O-N 3.34Å; V277-G280 WeakPolarHBondContact O-CA 3.31Å; V277-G280 PolarHBondContact O-N 3.48Å |
| 278 | E | 72.3 | Confident | 88.9 | Confident | 170 Ų | 170 | 62.3 Ų | 62.3 | 79% | 0.794 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -49.4 | -35.6 | -178.4 | -68.8 | -171.4 | 154.7 | 0 | 0 | 113.9 | G280 I281 | E278-G280 VanDerWaalsContact C-N 3.26Å; E278-G280 PolarHBondContact O-N 2.88Å; E278-I281 PolarHBondContact O-N 3.46Å |
| 279 | K | 72.7 | Confident | 89 | Confident | 202 Ų | 202 | 67.7 Ų | 67.7 | 88% | 0.878 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -70.3 | -18.1 | 176.9 | -66.5 | -176.6 | 179.3 | 178.1 | 0 | 114.5 | V277 I281 | V277-K279 PolarHBondContact O-N 3.34Å; K279-I281 VanDerWaalsContact C-N 3.32Å |
| 280 | G | 81.6 | Confident | 89.1 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -80.2 | -12.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V277 E278 | V277-G280 WeakPolarHBondContact O-CA 3.31Å; V277-G280 PolarHBondContact O-N 3.48Å; E278-G280 VanDerWaalsContact C-N 3.26Å; E278-G280 PolarHBondContact O-N 2.88Å |
| 281 | I | 92.8 | Very high | 89.4 | Confident | 23 Ų | 23 | 67.8 Ų | 67.8 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -94.5 | 116.7 | 178.4 | -59.7 | 162.4 | 0 | 0 | 0 | 108.5 | P276 E278 K279 R290 Y321 F337 | P276-I281 HydrophobicContact CB-CG1 4.31Å; E278-I281 PolarHBondContact O-N 3.46Å; K279-I281 VanDerWaalsContact C-N 3.32Å; I281-R290 HydrophobicContact CG2-CB 3.86Å; I281-Y321 HydrophobicContact CD1-CD1 3.62Å; I281-Y321 HydrophobicContact CD1-CE1 3.33Å; I281-Y321 HydrophobicContact CD1-CE2 4.47Å; I281-Y321 HydrophobicContact CD1-CG 4.32Å; I281-Y321 HydrophobicContact CG1-CD1 4.41Å; I281-Y321 HydrophobicContact CG1-CE1 4.34Å; I281-Y321 HydrophobicContact CG2-CD1 4.39Å; I281-Y321 HydrophobicContact CG2-CG 4.35Å; I281-F337 HydrophobicContact CG1-CD1 4.49Å; I281-F337 HydrophobicContact CG1-CE1 4.21Å; I281-F337 HydrophobicContact CG2-CD1 3.97Å; I281-F337 HydrophobicContact CG2-CE1 4.4Å |
| 282 | P | 94.9 | Very high | 89.7 | Confident | 58 Ų | 58 | 68.1 Ų | 68.1 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 147.3 | -179.7 | 25.8 | -32 | 0 | 0 | 0 | 111.3 | R290 F337 | P282-R290 PolarHBondContact O-NH1 3.05Å; P282-F337 HydrophobicContact CG-CD2 3.58Å; P282-F337 HydrophobicContact CG-CE2 3.87Å; P282-F337 HydrophobicContact CG-CG 4.08Å |
| 283 | H | 95.8 | Very high | 90.3 | Very high | 128 Ų | 128 | 65.7 Ų | 65.7 | 59% | 0.593 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 153.4 | 173 | -75 | -134.7 | 0 | 0 | 0 | 111.2 | G287 R290 | H283-G287 PolarHBondContact ND1-O 3.2Å; H283-R290 VanDerWaalsContact C-NH1 3.31Å; H283-R290 PolarHBondContact O-NH1 3.21Å |
| 284 | C | 95.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 157.6 | 169.8 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | C286 G287 S288 R290 C323 | C284-C286 PolarHBondContact O-N 3.18Å; C284-C286 VanDerWaalsContact O-N 3.13Å; C284-G287 PolarHBondContact O-N 2.93Å; C284-S288 WeakPolarHBondContact CB-O 3.15Å; C284-S288 PolarHBondContact N-O 3.33Å; C284-R290 HydrophobicContact CB-CG 4.4Å; C284-C323 HydrophobicContact CB-CB 4.05Å |
| 285 | S | 92.8 | Very high | 91.3 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 66% | 0.657 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.6 | 176.2 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | G287 | S285-G287 VanDerWaalsContact C-N 3.28Š|
| 286 | C | 94.1 | Very high | 91.8 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.4 | 173.1 | 68.9 | 0 | 0 | 0 | 0 | 114.2 | C284 C327 | C284-C286 PolarHBondContact O-N 3.18Å; C284-C286 VanDerWaalsContact O-N 3.13Å; C286-C327 HydrophobicContact CB-CB 3.73Å; C286-C327 WeakPolarHBondContact SG-CB 3.24Å; C286-C327 VanDerWaalsContact SG-SG 3.63Å |
| 287 | G | 94.5 | Very high | 92.3 | Very high | 47 Ų | 47 | 54.3 Ų | 54.3 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 95.3 | -15.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | H283 C284 S285 | H283-G287 PolarHBondContact ND1-O 3.2Å; C284-G287 PolarHBondContact O-N 2.93Å; S285-G287 VanDerWaalsContact C-N 3.28Å |
| 288 | S | 95.1 | Very high | 92.8 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 150.8 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | C284 D325 | C284-S288 WeakPolarHBondContact CB-O 3.15Å; C284-S288 PolarHBondContact N-O 3.33Å; S288-D325 WeakPolarHBondContact CB-OD2 3.27Å; S288-D325 PolarHBondContact OG-OD2 3.24Å |
| 289 | R | 95.7 | Very high | 93.9 | Very high | 134 Ų | 134 | 44.3 Ų | 44.3 | 51% | 0.506 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -61.6 | 154.8 | 166.2 | 69.4 | -177.9 | -175.6 | 114.5 | 7.2 | 110.9 | D264 I291 A324 | D264-R289 IonicContact OD1-NH2 3.83Å; R289-I291 HydrophobicContact CG-CG2 4.5Å; R289-A324 HydrophobicContact CG-CB 4.03Å; R289-A324 WeakPolarHBondContact O-CB 3.32Å; R289-A324 PolarHBondContact O-N 2.98Å |
| 290 | R | 96.2 | Very high | 94.9 | Very high | 31 Ų | 31 | 34.7 Ų | 34.7 | 12% | 0.117 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.7 | 166.2 | -65.4 | -174.4 | 172.1 | 102.2 | -5.5 | 109.6 | I281 P282 H283 C284 T322 S335 E336 | I281-R290 HydrophobicContact CG2-CB 3.86Å; P282-R290 PolarHBondContact O-NH1 3.05Å; H283-R290 VanDerWaalsContact C-NH1 3.31Å; H283-R290 PolarHBondContact O-NH1 3.21Å; C284-R290 HydrophobicContact CB-CG 4.4Å; R290-T322 CarbonylContact C-O 3.55Å; R290-T322 WeakPolarHBondContact CA-O 3.24Å; R290-T322 WeakPolarHBondContact CB-O 3.4Å; R290-S335 PolarHBondContact NH2-O 3.47Å; R290-E336 IonicContact CZ-OE2 3.61Å; R290-E336 IonicContact NE-OE2 2.89Å; R290-E336 PolarHBondContact NE-OE2 3.26Å |
| 291 | I | 96.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 156.5 | 176.8 | 58.7 | 174.1 | 0 | 0 | 0 | 109.5 | R263 D264 R289 Y321 T322 A324 | R263-I291 HydrophobicContact CG-CD1 4.17Å; D264-I291 HydrophobicContact CB-CD1 3.99Å; R289-I291 HydrophobicContact CG-CG2 4.5Å; I291-Y321 CarbonylContact O-C 3.47Å; I291-Y321 WeakPolarHBondContact O-CA 3.49Å; I291-T322 PolarHBondContact N-O 3.49Å; I291-T322 PolarHBondContact O-N 3.48Å; I291-A324 HydrophobicContact CD1-CB 4.34Å; I291-A324 HydrophobicContact CG1-CB 4.31Å; I291-A324 HydrophobicContact CG2-CB 3.89Å |
| 292 | F | 96.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 38.4 Ų | 38.4 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 138.8 | 174.1 | 175.4 | -113.7 | 0 | 0 | 0 | 110.4 | F262 R263 D264 G265 P267 F294 Q295 A319 Y321 | F262-F292 HydrophobicContact CB-CE1 4.23Å; F262-F292 WeakPolarHBondContact O-CD1 3.43Å; F262-F292 WeakPolarHBondContact O-CE1 3.33Å; R263-F292 WeakPolarHBondContact CA-O 3.3Å; D264-F292 PolarHBondContact N-O 2.74Å; G265-F292 WeakPolarHBondContact O-CB 3.2Å; P267-F292 HydrophobicContact CB-CE2 4.05Å; P267-F292 HydrophobicContact CB-CZ 4.21Å; P267-F292 HydrophobicContact CG-CD1 4.48Å; P267-F292 HydrophobicContact CG-CD2 3.55Å; P267-F292 HydrophobicContact CG-CE1 4.46Å; P267-F292 HydrophobicContact CG-CE2 3.53Å; P267-F292 HydrophobicContact CG-CG 4.03Å; P267-F292 HydrophobicContact CG-CZ 4Å; F292-F294 WeakPolarHBondContact CE2-O 3.28Å; F292-Q295 HydrophobicContact CE2-CB 4.09Å; F292-Q295 HydrophobicContact CZ-CB 4Å; F292-Q295 HydrophobicContact CZ-CG 4.26Å; F292-A319 HydrophobicContact CD2-CB 4.31Å; F292-A319 HydrophobicContact CE2-CB 4.08Å; F292-Y321 HydrophobicContact CB-CD1 4.14Å; F292-Y321 HydrophobicContact CB-CE1 3.9Å |
| 293 | E | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -59 | 178.8 | -168.2 | 88.4 | -179 | 0 | 0 | 111.3 | R74 I76 Y261 F262 R263 V320 T322 | R74-E293 IonicContact CZ-OE1 3.49Å; R74-E293 VanDerWaalsContact CZ-OE1 3.26Å; R74-E293 IonicContact CZ-OE2 3.21Å; R74-E293 IonicContact NH1-OE1 3.93Å; R74-E293 PolarHBondContact NH1-OE1 3.24Å; R74-E293 IonicContact NH2-OE1 3.33Å; R74-E293 PolarHBondContact NH2-OE1 3.26Å; R74-E293 IonicContact NH2-OE2 2.99Å; R74-E293 PolarHBondContact NH2-OE2 3.43Å; I76-E293 HydrophobicContact CD1-CG 3.6Å; Y261-E293 HydrophobicContact CE2-CG 4.03Å; Y261-E293 PolarHBondContact OH-OE1 3.4Å; Y261-E293 VanDerWaalsContact OH-OE1 3.13Å; F262-E293 CarbonylContact C-O 3.24Å; F262-E293 VanDerWaalsContact C-O 3.26Å; F262-E293 PolarHBondContact N-O 2.97Å; R263-E293 WeakPolarHBondContact CD-OE1 3.12Å; R263-E293 WeakPolarHBondContact CD-OE2 3.46Å; R263-E293 PolarHBondContact N-O 3.15Å; R263-E293 IonicContact NE-OE1 2.77Å; R263-E293 IonicContact NE-OE2 3.41Å; R263-E293 PolarHBondContact NE-OE2 2.95Å; E293-V320 PolarHBondContact N-O 3.02Å; E293-T322 HydrophobicContact CB-CG2 3.92Å; E293-T322 HydrophobicContact CG-CG2 4.14Å; E293-T322 PolarHBondContact OE2-OG1 2.83Å |
| 294 | F | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 163.8 | -180 | 64.1 | -102.9 | 0 | 0 | 0 | 110.3 | V61 I76 V78 L259 R260 Y261 F292 V296 V320 | V61-F294 HydrophobicContact CB-CE1 4.14Å; V61-F294 HydrophobicContact CB-CZ 4.48Å; V61-F294 HydrophobicContact CG2-CD1 4.43Å; V61-F294 HydrophobicContact CG2-CE1 3.98Å; V61-F294 HydrophobicContact CG2-CE2 4.27Å; V61-F294 HydrophobicContact CG2-CZ 3.88Å; I76-F294 HydrophobicContact CB-CE1 3.94Å; I76-F294 HydrophobicContact CB-CZ 4.41Å; I76-F294 HydrophobicContact CD1-CD1 4.24Å; I76-F294 HydrophobicContact CD1-CE1 3.72Å; I76-F294 HydrophobicContact CG1-CE1 4.47Å; I76-F294 HydrophobicContact CG2-CE1 3.74Å; I76-F294 HydrophobicContact CG2-CZ 3.89Å; V78-F294 HydrophobicContact CG2-CE2 4.4Å; V78-F294 HydrophobicContact CG2-CZ 4.12Å; L259-F294 HydrophobicContact CD1-CB 4.23Å; L259-F294 HydrophobicContact CD1-CD2 3.39Å; L259-F294 HydrophobicContact CD1-CE2 3.88Å; L259-F294 HydrophobicContact CD1-CG 3.96Å; R260-F294 CarbonylContact O-C 3.16Å; R260-F294 VanDerWaalsContact O-CA 3.31Å; R260-F294 WeakPolarHBondContact O-CA 3.34Å; R260-F294 WeakPolarHBondContact O-CB 3.16Å; Y261-F294 HydrophobicContact CD2-CB 3.75Å; Y261-F294 HydrophobicContact CD2-CD1 4.13Å; Y261-F294 HydrophobicContact CD2-CG 4.35Å; Y261-F294 HydrophobicContact CE2-CD1 4.29Å; Y261-F294 HydrophobicContact CG-CB 4.31Å; F292-F294 WeakPolarHBondContact CE2-O 3.28Å; F294-V296 HydrophobicContact CD2-CG2 4.3Å; F294-V296 HydrophobicContact CE2-CG2 3.94Å; F294-V320 HydrophobicContact CD1-CB 4.48Å; F294-V320 HydrophobicContact CD2-CB 4.12Å; F294-V320 HydrophobicContact CD2-CG2 4.05Å; F294-V320 HydrophobicContact CE1-CB 4.24Å; F294-V320 HydrophobicContact CE1-CG1 4.11Å; F294-V320 HydrophobicContact CE2-CB 3.88Å; F294-V320 HydrophobicContact CE2-CG1 4.46Å; F294-V320 HydrophobicContact CE2-CG2 3.47Å; F294-V320 VanDerWaalsContact CE2-CG2 3.47Å; F294-V320 HydrophobicContact CG-CB 4.43Å; F294-V320 HydrophobicContact CZ-CB 3.93Å; F294-V320 HydrophobicContact CZ-CG1 4.01Å; F294-V320 HydrophobicContact CZ-CG2 3.77Å; F294-V320 PolarHBondContact O-N 2.84Å |
| 295 | Q | 97.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 144.6 | 170.9 | 62.5 | -177.9 | 58.6 | 0 | 0 | 111.8 | L259 R260 F292 M297 L318 | L259-Q295 CarbonylContact C-O 3.56Å; L259-Q295 WeakPolarHBondContact CA-O 3.4Å; R260-Q295 HydrophobicContact CB-CG 3.68Å; R260-Q295 HydrophobicContact CG-CG 4.31Å; R260-Q295 PolarHBondContact N-O 3.41Å; R260-Q295 PolarHBondContact O-N 2.97Å; F292-Q295 HydrophobicContact CE2-CB 4.09Å; F292-Q295 HydrophobicContact CZ-CB 4Å; F292-Q295 HydrophobicContact CZ-CG 4.26Å; Q295-M297 HydrophobicContact CG-SD 4.09Å; Q295-M297 PolarHBondContact NE2-SD 3.4Å; Q295-L318 CarbonylContact C-O 3.51Å; Q295-L318 WeakPolarHBondContact CA-O 3.44Å |
| 296 | V | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.1 | 170.7 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | M59 F294 L300 W315 L318 | M59-V296 HydrophobicContact SD-CB 4.39Å; M59-V296 HydrophobicContact SD-CG1 3.93Å; M59-V296 HydrophobicContact SD-CG2 3.53Å; M59-V296 VanDerWaalsContact SD-CG2 3.53Å; F294-V296 HydrophobicContact CD2-CG2 4.3Å; F294-V296 HydrophobicContact CE2-CG2 3.94Å; V296-L300 HydrophobicContact CG1-CB 4.27Å; V296-L300 HydrophobicContact CG1-CD2 3.4Å; V296-L300 HydrophobicContact CG1-CG 4.46Å; V296-W315 HydrophobicContact CG1-CZ2 4.43Å; V296-L318 HydrophobicContact CB-CB 4.03Å; V296-L318 HydrophobicContact CB-CD1 4.34Å; V296-L318 HydrophobicContact CB-CG 4.43Å; V296-L318 HydrophobicContact CG2-CB 4.34Å; V296-L318 PolarHBondContact N-O 3.32Å; V296-L318 PolarHBondContact O-N 2.93Å; V296-L318 VanDerWaalsContact O-N 3.08Å |
| 297 | M | 96.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | trans | -83.7 | 155.8 | -175.6 | -60 | -59.1 | -68.3 | 0 | 0 | 110.8 | F247 I251 Q257 V258 R260 Q295 Q299 L300 W315 | F247-M297 HydrophobicContact CE2-CE 3.79Å; F247-M297 HydrophobicContact CZ-CE 3.72Å; I251-M297 HydrophobicContact CG2-CE 3.65Å; Q257-M297 HydrophobicContact CG-CE 4.43Å; Q257-M297 HydrophobicContact CG-CG 4.2Å; Q257-M297 VanDerWaalsContact O-CB 3.22Å; Q257-M297 WeakPolarHBondContact O-CB 3.37Å; V258-M297 PolarHBondContact O-N 3.47Å; R260-M297 HydrophobicContact CG-CG 4.2Å; R260-M297 HydrophobicContact CG-SD 3.88Å; Q295-M297 HydrophobicContact CG-SD 4.09Å; Q295-M297 PolarHBondContact NE2-SD 3.4Å; M297-Q299 PolarHBondContact O-N 3.44Å; M297-L300 WeakPolarHBondContact O-CB 3.39Å; M297-L300 PolarHBondContact O-N 2.9Å; M297-W315 PolarHBondContact O-NE1 2.83Å | ||
| 298 | P | 93.6 | Very high | 88.3 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26 | 179 | 26.8 | -30.9 | 0 | 0 | 0 | 111.6 | F247 L300 L301 W315 G316 F343 | F247-P298 HydrophobicContact CZ-CG 4.25Å; P298-L300 PolarHBondContact O-N 3.28Å; P298-L300 VanDerWaalsContact O-N 3.08Å; P298-L301 VanDerWaalsContact O-CB 3.25Å; P298-L301 WeakPolarHBondContact O-CB 3.39Å; P298-L301 WeakPolarHBondContact O-CG 3.2Å; P298-L301 PolarHBondContact O-N 2.99Å; P298-W315 WeakPolarHBondContact CB-O 3.49Å; P298-G316 WeakPolarHBondContact CD-O 3.32Å; P298-G316 VanDerWaalsContact CG-O 3.31Å; P298-G316 WeakPolarHBondContact CG-O 3.49Å; P298-F343 HydrophobicContact CB-CE2 4.09Å; P298-F343 HydrophobicContact CB-CZ 3.96Å; P298-F343 HydrophobicContact CG-CZ 3.87Å |
| 299 | Q | 93.7 | Very high | 86.1 | Confident | 48 Ų | 48 | 46.3 Ų | 46.3 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -31.4 | 177.7 | 179.7 | 57.8 | 22.7 | 0 | 0 | 113.2 | Q257 V258 M297 L301 N302 | Q257-Q299 WeakPolarHBondContact O-CB 3.44Å; V258-Q299 HydrophobicContact CG1-CG 4.28Å; M297-Q299 PolarHBondContact O-N 3.44Å; Q299-L301 PolarHBondContact O-N 2.94Å; Q299-L301 VanDerWaalsContact O-N 3.12Å; Q299-N302 PolarHBondContact NE2-ND2 2.92Å; Q299-N302 WeakPolarHBondContact O-CB 3.42Å; Q299-N302 PolarHBondContact O-N 3.14Å; Q299-N302 VanDerWaalsContact O-N 3.12Å; Q299-N302 PolarHBondContact OE1-ND2 3.23Å |
| 300 | L | 95.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -54.7 | -32.7 | 177.2 | -179.7 | 58.8 | 0 | 0 | 0 | 112.6 | L11 V28 L58 M59 V258 V296 M297 P298 N302 D303 L304 W315 | L11-L300 HydrophobicContact CD1-CD1 3.87Å; V28-L300 HydrophobicContact CB-CD1 4.44Å; V28-L300 HydrophobicContact CG1-CD1 3.85Å; V28-L300 HydrophobicContact CG2-CD1 3.79Å; L58-L300 HydrophobicContact CD1-CD2 4.1Å; L58-L300 HydrophobicContact CG-CD2 4.38Å; M59-L300 HydrophobicContact SD-CD2 4.19Å; V258-L300 HydrophobicContact CB-CB 4.09Å; V258-L300 HydrophobicContact CB-CD1 4.23Å; V258-L300 HydrophobicContact CG1-CB 4.21Å; V258-L300 HydrophobicContact CG1-CD1 4.29Å; V296-L300 HydrophobicContact CG1-CB 4.27Å; V296-L300 HydrophobicContact CG1-CD2 3.4Å; V296-L300 HydrophobicContact CG1-CG 4.46Å; M297-L300 WeakPolarHBondContact O-CB 3.39Å; M297-L300 PolarHBondContact O-N 2.9Å; P298-L300 PolarHBondContact O-N 3.28Å; P298-L300 VanDerWaalsContact O-N 3.08Å; L300-N302 PolarHBondContact O-N 2.88Å; L300-D303 PolarHBondContact O-N 2.91Å; L300-L304 HydrophobicContact CD1-CD2 4.37Å; L300-L304 HydrophobicContact CG-CD2 4.39Å; L300-L304 HydrophobicContact CG-CG 4.34Å; L300-L304 WeakPolarHBondContact O-CG 3.19Å; L300-L304 PolarHBondContact O-N 3.32Å; L300-W315 HydrophobicContact CB-CZ2 4.31Å; L300-W315 HydrophobicContact CD2-CZ2 4.22Å; L300-W315 HydrophobicContact CG-CZ2 4.42Å |
| 301 | L | 91.8 | Very high | 81.9 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.1 | -34 | -178.8 | -67.7 | 169 | 0 | 0 | 0 | 112.7 | P298 Q299 D303 L304 I313 W315 | P298-L301 VanDerWaalsContact O-CB 3.25Å; P298-L301 WeakPolarHBondContact O-CB 3.39Å; P298-L301 WeakPolarHBondContact O-CG 3.2Å; P298-L301 PolarHBondContact O-N 2.99Å; Q299-L301 PolarHBondContact O-N 2.94Å; Q299-L301 VanDerWaalsContact O-N 3.12Å; L301-D303 VanDerWaalsContact C-N 3.27Å; L301-D303 PolarHBondContact O-N 3.38Å; L301-L304 HydrophobicContact CD2-CD1 4.35Å; L301-L304 PolarHBondContact O-N 2.97Å; L301-I313 HydrophobicContact CD2-CB 4.48Å; L301-I313 HydrophobicContact CD2-CG2 3.79Å; L301-I313 WeakPolarHBondContact CD2-O 3.45Å; L301-W315 HydrophobicContact CD1-CD2 4.23Å; L301-W315 HydrophobicContact CD1-CG 4.48Å; L301-W315 HydrophobicContact CD2-CD2 3.89Å; L301-W315 HydrophobicContact CD2-CE3 3.67Å; L301-W315 HydrophobicContact CD2-CH2 3.3Å; L301-W315 HydrophobicContact CD2-CZ2 3.48Å; L301-W315 VanDerWaalsContact CD2-CZ2 3.48Å; L301-W315 HydrophobicContact CD2-CZ3 3.41Å; L301-W315 VanDerWaalsContact CD2-CZ3 3.41Å; L301-W315 HydrophobicContact CG-CD2 4.18Å; L301-W315 HydrophobicContact CG-CE3 4.45Å; L301-W315 HydrophobicContact CG-CH2 4.09Å; L301-W315 HydrophobicContact CG-CZ2 3.74Å; L301-W315 HydrophobicContact CG-CZ3 4.45Å |
| 302 | N | 90.2 | Very high | 80.5 | Confident | 110 Ų | 110 | 48.7 Ų | 48.7 | 59% | 0.588 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.9 | -30.8 | 179.7 | -64.5 | -34 | 0 | 0 | 0 | 112 | Q299 L300 | Q299-N302 PolarHBondContact NE2-ND2 2.92Å; Q299-N302 WeakPolarHBondContact O-CB 3.42Å; Q299-N302 PolarHBondContact O-N 3.14Å; Q299-N302 VanDerWaalsContact O-N 3.12Å; Q299-N302 PolarHBondContact OE1-ND2 3.23Å; L300-N302 PolarHBondContact O-N 2.88Å |
| 303 | D | 88.6 | Confident | 80 | Confident | 53 Ų | 53 | 49 Ų | 49 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -87.9 | -16.7 | -177.5 | -60.3 | -65.7 | 0 | 0 | 0 | 113 | L11 L300 L301 K305 | L11-D303 HydrophobicContact CD1-CB 3.61Å; L300-D303 PolarHBondContact O-N 2.91Å; L301-D303 VanDerWaalsContact C-N 3.27Å; L301-D303 PolarHBondContact O-N 3.38Å; D303-K305 PolarHBondContact O-N 3.47Å |
| 304 | L | 85.6 | Confident | 79.5 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.5 | 179.7 | -64.8 | -179.8 | 0 | 0 | 0 | 113.6 | V28 L58 F188 P189 L300 L301 V306 W315 | V28-L304 HydrophobicContact CG1-CD2 3.87Å; L58-L304 HydrophobicContact CD1-CD1 3.66Å; L58-L304 HydrophobicContact CD1-CD2 3.78Å; L58-L304 HydrophobicContact CD1-CG 4.37Å; F188-L304 HydrophobicContact CB-CD2 3.94Å; F188-L304 HydrophobicContact CD1-CB 3.85Å; F188-L304 HydrophobicContact CD1-CD1 4.44Å; F188-L304 HydrophobicContact CD1-CD2 3.87Å; F188-L304 HydrophobicContact CD1-CG 4.25Å; F188-L304 HydrophobicContact CD2-CD2 4.26Å; F188-L304 HydrophobicContact CE1-CB 4.16Å; F188-L304 HydrophobicContact CE1-CD1 4.23Å; F188-L304 HydrophobicContact CE1-CD2 4.44Å; F188-L304 HydrophobicContact CG-CD2 3.77Å; P189-L304 WeakPolarHBondContact CD-O 3.4Å; L300-L304 HydrophobicContact CD1-CD2 4.37Å; L300-L304 HydrophobicContact CG-CD2 4.39Å; L300-L304 HydrophobicContact CG-CG 4.34Å; L300-L304 WeakPolarHBondContact O-CG 3.19Å; L300-L304 PolarHBondContact O-N 3.32Å; L301-L304 HydrophobicContact CD2-CD1 4.35Å; L301-L304 PolarHBondContact O-N 2.97Å; L304-V306 HydrophobicContact CB-CG2 3.5Å; L304-V306 PolarHBondContact O-N 2.9Å; L304-W315 HydrophobicContact CD1-CH2 3.8Å |
| 305 | K | 75.3 | Confident | 79.3 | Confident | 148 Ų | 148 | 52.7 Ų | 52.7 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 45.6 | 179.8 | -61.8 | -176.6 | -175.9 | 177.5 | 0 | 112.5 | P189 D303 D307 | P189-K305 HydrophobicContact CG-CB 4.09Å; P189-K305 HydrophobicContact CG-CD 3.82Å; P189-K305 HydrophobicContact CG-CG 3.94Å; D303-K305 PolarHBondContact O-N 3.47Å; K305-D307 PolarHBondContact O-N 3.01Å |
| 306 | V | 68.1 | Low | 79 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 21% | 0.212 | 29% | 0.294 | C | S | . | . | trans | -86.5 | 54.5 | -179.3 | -164.6 | 0 | 0 | 0 | 0 | 108.7 | F188 L304 S308 A311 I313 | F188-V306 HydrophobicContact CD1-CG2 4.41Å; F188-V306 HydrophobicContact CE1-CG2 3.95Å; L304-V306 HydrophobicContact CB-CG2 3.5Å; L304-V306 PolarHBondContact O-N 2.9Å; V306-S308 VanDerWaalsContact C-N 3.25Å; V306-S308 PolarHBondContact O-N 2.86Å; V306-A311 HydrophobicContact CG1-CB 3.25Å; V306-A311 WeakPolarHBondContact CG1-O 3.44Å; V306-I313 HydrophobicContact CG1-CD1 4.22Å; V306-I313 HydrophobicContact CG1-CG1 4.34Å; V306-I313 HydrophobicContact CG2-CD1 4.33Å | ||
| 307 | D | 50.1 | Low | 78.9 | Confident | 144 Ų | 144 | 52.6 Ų | 52.6 | 77% | 0.77 | 29% | 0.294 | S | S | * | . | trans | -84.2 | 12 | -168.4 | -62.4 | -38 | 0 | 0 | 0 | 114.2 | K305 | K305-D307 PolarHBondContact O-N 3.01Š| ||
| 308 | S | 54.4 | Low | 78.9 | Confident | 59 Ų | 59 | 52.4 Ų | 52.4 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -83.1 | 130 | 169.8 | 58.3 | 0 | 0 | 0 | 0 | 109.3 | V306 D310 A311 | V306-S308 VanDerWaalsContact C-N 3.25Å; V306-S308 PolarHBondContact O-N 2.86Å; S308-D310 PolarHBondContact O-N 3.3Å; S308-A311 PolarHBondContact O-N 2.91Å; S308-A311 WeakPolarHBondContact OG-CB 3.33Å |
| 309 | P | 48.2 | Very low | 79.1 | Confident | 131 Ų | 131 | 51.4 Ų | 51.4 | 85% | 0.851 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -21.7 | 174.3 | -4.3 | 3 | 0 | 0 | 0 | 113.1 | ||
| 310 | D | 47.8 | Very low | 79.4 | Confident | 133 Ų | 133 | 49.1 Ų | 49.1 | 71% | 0.711 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 16.8 | 178.4 | -50.6 | -41.8 | 0 | 0 | 0 | 113.8 | P84 S308 | P84-D310 WeakPolarHBondContact CG-O 3.41Å; S308-D310 PolarHBondContact O-N 3.3Å |
| 311 | A | 54.8 | Low | 79.5 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | trans | -132.1 | 64.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V306 S308 I313 | V306-A311 HydrophobicContact CG1-CB 3.25Å; V306-A311 WeakPolarHBondContact CG1-O 3.44Å; S308-A311 PolarHBondContact O-N 2.91Å; S308-A311 WeakPolarHBondContact OG-CB 3.33Å; A311-I313 PolarHBondContact O-N 2.94Å | ||
| 312 | S | 67.3 | Low | 79.8 | Confident | 73 Ų | 73 | 48.3 Ų | 48.3 | 51% | 0.51 | 27% | 0.271 | S | S | . | . | trans | -78.3 | 65.9 | 176.7 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | P84 D314 | P84-S312 WeakPolarHBondContact CB-OG 3.04Å; S312-D314 PolarHBondContact O-N 3.02Å | ||
| 313 | I | 86.7 | Confident | 80.1 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 8% | 0.077 | 24% | 0.243 | C | C | . | . | trans | -72 | 121.4 | 164.7 | -63.2 | -178.6 | 0 | 0 | 0 | 106.7 | K82 Y87 F188 L301 V306 A311 W315 | K82-I313 HydrophobicContact CG-CD1 4.4Å; Y87-I313 HydrophobicContact CE1-CG2 3.8Å; Y87-I313 HydrophobicContact CE2-CB 4.31Å; Y87-I313 HydrophobicContact CE2-CG1 3.83Å; Y87-I313 HydrophobicContact CE2-CG2 4.31Å; F188-I313 HydrophobicContact CE1-CD1 4.07Å; F188-I313 HydrophobicContact CZ-CD1 3.9Å; L301-I313 HydrophobicContact CD2-CB 4.48Å; L301-I313 HydrophobicContact CD2-CG2 3.79Å; L301-I313 WeakPolarHBondContact CD2-O 3.45Å; V306-I313 HydrophobicContact CG1-CD1 4.22Å; V306-I313 HydrophobicContact CG1-CG1 4.34Å; V306-I313 HydrophobicContact CG2-CD1 4.33Å; A311-I313 PolarHBondContact O-N 2.94Å; I313-W315 HydrophobicContact CG2-CE3 3.92Å; I313-W315 HydrophobicContact CG2-CH2 4.14Å; I313-W315 HydrophobicContact CG2-CZ3 3.29Å | ||
| 314 | D | 88.1 | Confident | 80.5 | Confident | 79 Ų | 79 | 41.6 Ų | 41.6 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | trans | -148.5 | 145.1 | -176.2 | -169.5 | 21.5 | 0 | 0 | 0 | 112.3 | Y87 S312 K340 | Y87-D314 WeakPolarHBondContact CD1-O 3.34Å; S312-D314 PolarHBondContact O-N 3.02Å; D314-K340 WeakPolarHBondContact O-CE 3.42Å; D314-K340 PolarHBondContact O-NZ 3.38Å | ||
| 315 | W | 92.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -161.1 | 150.3 | 171.5 | 59.7 | 79.8 | 0 | 0 | 0 | 110.7 | L58 Y87 V296 M297 P298 L300 L301 L304 I313 L318 K340 D342 | L58-W315 HydrophobicContact CD1-CH2 4.2Å; L58-W315 HydrophobicContact CD2-CH2 4.07Å; Y87-W315 HydrophobicContact CE1-CE3 4.4Å; V296-W315 HydrophobicContact CG1-CZ2 4.43Å; M297-W315 PolarHBondContact O-NE1 2.83Å; P298-W315 WeakPolarHBondContact CB-O 3.49Å; L300-W315 HydrophobicContact CB-CZ2 4.31Å; L300-W315 HydrophobicContact CD2-CZ2 4.22Å; L300-W315 HydrophobicContact CG-CZ2 4.42Å; L301-W315 HydrophobicContact CD1-CD2 4.23Å; L301-W315 HydrophobicContact CD1-CG 4.48Å; L301-W315 HydrophobicContact CD2-CD2 3.89Å; L301-W315 HydrophobicContact CD2-CE3 3.67Å; L301-W315 HydrophobicContact CD2-CH2 3.3Å; L301-W315 HydrophobicContact CD2-CZ2 3.48Å; L301-W315 VanDerWaalsContact CD2-CZ2 3.48Å; L301-W315 HydrophobicContact CD2-CZ3 3.41Å; L301-W315 VanDerWaalsContact CD2-CZ3 3.41Å; L301-W315 HydrophobicContact CG-CD2 4.18Å; L301-W315 HydrophobicContact CG-CE3 4.45Å; L301-W315 HydrophobicContact CG-CH2 4.09Å; L301-W315 HydrophobicContact CG-CZ2 3.74Å; L301-W315 HydrophobicContact CG-CZ3 4.45Å; L304-W315 HydrophobicContact CD1-CH2 3.8Å; I313-W315 HydrophobicContact CG2-CE3 3.92Å; I313-W315 HydrophobicContact CG2-CH2 4.14Å; I313-W315 HydrophobicContact CG2-CZ3 3.29Å; W315-L318 HydrophobicContact CB-CD2 3.65Å; W315-L318 HydrophobicContact CB-CG 4.16Å; W315-L318 HydrophobicContact CD2-CD1 3.81Å; W315-L318 HydrophobicContact CD2-CD2 4.21Å; W315-L318 HydrophobicContact CD2-CG 3.95Å; W315-L318 HydrophobicContact CE3-CD1 4.1Å; W315-L318 HydrophobicContact CG-CD1 4.13Å; W315-L318 HydrophobicContact CG-CD2 3.75Å; W315-L318 HydrophobicContact CG-CG 3.7Å; W315-L318 HydrophobicContact CZ2-CD1 4.35Å; W315-L318 HydrophobicContact CZ3-CD1 4.43Å; W315-K340 HydrophobicContact CB-CG 4.22Å; W315-D342 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 316 | G | 92.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -83.4 | -45.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P298 Q341 | P298-G316 WeakPolarHBondContact CD-O 3.32Å; P298-G316 VanDerWaalsContact CG-O 3.31Å; P298-G316 WeakPolarHBondContact CG-O 3.49Å; G316-Q341 CarbonylContact C-O 3.51Å; G316-Q341 VanDerWaalsContact CA-O 3.23Å; G316-Q341 WeakPolarHBondContact CA-O 3.44Å; G316-Q341 PolarHBondContact N-O 2.89Å |
| 317 | T | 94.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 143.3 | 172.2 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | W269 Q341 | W269-T317 HydrophobicContact CE3-CG2 3.7Å; W269-T317 HydrophobicContact CZ3-CG2 3.99Å; T317-Q341 HydrophobicContact CG2-CB 3.86Å; T317-Q341 PolarHBondContact N-O 3.25Å; T317-Q341 PolarHBondContact O-N 3.26Å |
| 318 | L | 97.8 | Very high | 85 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 110.8 | 171.4 | -50.4 | 178.7 | 0 | 0 | 0 | 109.4 | L58 L95 Q295 V296 W315 I338 W339 K340 | L58-L318 HydrophobicContact CD2-CD1 4.43Å; L95-L318 HydrophobicContact CD1-CD1 4.22Å; L95-L318 HydrophobicContact CD1-CD2 3.66Å; L95-L318 HydrophobicContact CD2-CD1 4.37Å; Q295-L318 CarbonylContact C-O 3.51Å; Q295-L318 WeakPolarHBondContact CA-O 3.44Å; V296-L318 HydrophobicContact CB-CB 4.03Å; V296-L318 HydrophobicContact CB-CD1 4.34Å; V296-L318 HydrophobicContact CB-CG 4.43Å; V296-L318 HydrophobicContact CG2-CB 4.34Å; V296-L318 PolarHBondContact N-O 3.32Å; V296-L318 PolarHBondContact O-N 2.93Å; V296-L318 VanDerWaalsContact O-N 3.08Å; W315-L318 HydrophobicContact CB-CD2 3.65Å; W315-L318 HydrophobicContact CB-CG 4.16Å; W315-L318 HydrophobicContact CD2-CD1 3.81Å; W315-L318 HydrophobicContact CD2-CD2 4.21Å; W315-L318 HydrophobicContact CD2-CG 3.95Å; W315-L318 HydrophobicContact CE3-CD1 4.1Å; W315-L318 HydrophobicContact CG-CD1 4.13Å; W315-L318 HydrophobicContact CG-CD2 3.75Å; W315-L318 HydrophobicContact CG-CG 3.7Å; W315-L318 HydrophobicContact CZ2-CD1 4.35Å; W315-L318 HydrophobicContact CZ3-CD1 4.43Å; L318-I338 HydrophobicContact CB-CD1 4.1Å; L318-I338 HydrophobicContact CB-CG1 4.32Å; L318-I338 HydrophobicContact CD1-CD1 4.28Å; L318-W339 CarbonylContact C-O 3.58Å; L318-W339 WeakPolarHBondContact CA-O 3.47Å; L318-K340 HydrophobicContact CD2-CB 3.73Å; L318-K340 HydrophobicContact CD2-CD 4.33Å; L318-K340 HydrophobicContact CD2-CG 3.7Å |
| 319 | A | 97.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P267 W269 F292 Y321 I338 W339 | P267-A319 HydrophobicContact CB-CB 4.2Å; P267-A319 HydrophobicContact CG-CB 3.83Å; W269-A319 HydrophobicContact CH2-CB 3.72Å; W269-A319 HydrophobicContact CZ3-CB 4.14Å; F292-A319 HydrophobicContact CD2-CB 4.31Å; F292-A319 HydrophobicContact CE2-CB 4.08Å; A319-Y321 HydrophobicContact CB-CE2 3.7Å; A319-Y321 WeakPolarHBondContact O-CD2 3.35Å; A319-I338 WeakPolarHBondContact O-CA 3.36Å; A319-W339 HydrophobicContact CB-CB 4.39Å; A319-W339 PolarHBondContact N-O 3.35Å; A319-W339 PolarHBondContact O-N 2.97Å |
| 320 | V | 98.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.1 | 179.1 | 178 | 0 | 0 | 0 | 0 | 110 | I76 V78 V97 E293 F294 T322 I338 | I76-V320 HydrophobicContact CG2-CG1 4.18Å; V78-V320 HydrophobicContact CG2-CG2 4.46Å; V97-V320 HydrophobicContact CG1-CG1 3.84Å; V97-V320 HydrophobicContact CG2-CG2 4.35Å; E293-V320 PolarHBondContact N-O 3.02Å; F294-V320 HydrophobicContact CD1-CB 4.48Å; F294-V320 HydrophobicContact CD2-CB 4.12Å; F294-V320 HydrophobicContact CD2-CG2 4.05Å; F294-V320 HydrophobicContact CE1-CB 4.24Å; F294-V320 HydrophobicContact CE1-CG1 4.11Å; F294-V320 HydrophobicContact CE2-CB 3.88Å; F294-V320 HydrophobicContact CE2-CG1 4.46Å; F294-V320 HydrophobicContact CE2-CG2 3.47Å; F294-V320 VanDerWaalsContact CE2-CG2 3.47Å; F294-V320 HydrophobicContact CG-CB 4.43Å; F294-V320 HydrophobicContact CZ-CB 3.93Å; F294-V320 HydrophobicContact CZ-CG1 4.01Å; F294-V320 HydrophobicContact CZ-CG2 3.77Å; F294-V320 PolarHBondContact O-N 2.84Å; V320-T322 HydrophobicContact CG1-CG2 4.3Å; V320-I338 HydrophobicContact CG2-CD1 4.09Å; V320-I338 HydrophobicContact CG2-CG1 4.23Å |
| 321 | Y | 97.9 | Very high | 90.4 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.7 | 180 | -62.8 | -98.4 | 0 | 0 | 0 | 110.3 | P276 I281 I291 F292 A319 F337 W339 | P276-Y321 VanDerWaalsContact CG-OH 3.31Å; P276-Y321 WeakPolarHBondContact CG-OH 3.38Å; I281-Y321 HydrophobicContact CD1-CD1 3.62Å; I281-Y321 HydrophobicContact CD1-CE1 3.33Å; I281-Y321 HydrophobicContact CD1-CE2 4.47Å; I281-Y321 HydrophobicContact CD1-CG 4.32Å; I281-Y321 HydrophobicContact CG1-CD1 4.41Å; I281-Y321 HydrophobicContact CG1-CE1 4.34Å; I281-Y321 HydrophobicContact CG2-CD1 4.39Å; I281-Y321 HydrophobicContact CG2-CG 4.35Å; I291-Y321 CarbonylContact O-C 3.47Å; I291-Y321 WeakPolarHBondContact O-CA 3.49Å; F292-Y321 HydrophobicContact CB-CD1 4.14Å; F292-Y321 HydrophobicContact CB-CE1 3.9Å; A319-Y321 HydrophobicContact CB-CE2 3.7Å; A319-Y321 WeakPolarHBondContact O-CD2 3.35Å; Y321-F337 AromaticContact CD2-CD1 3.82Å; Y321-F337 HydrophobicContact CD2-CD1 3.82Å; Y321-F337 HydrophobicContact CD2-CE1 4.4Å; Y321-F337 HydrophobicContact CG-CD1 4.26Å; Y321-F337 PolarHBondContact N-O 3.33Å; Y321-F337 PolarHBondContact O-N 3.14Å; Y321-F337 VanDerWaalsContact O-N 3.09Å; Y321-W339 HydrophobicContact CE2-CB 3.96Å |
| 322 | T | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 164.3 | -179.5 | 80.2 | 0 | 0 | 0 | 0 | 112.4 | R74 I76 R290 I291 E293 V320 A324 E336 | R74-T322 PolarHBondContact NH2-OG1 3.34Å; I76-T322 HydrophobicContact CD1-CG2 3.7Å; I76-T322 HydrophobicContact CG1-CG2 4.24Å; R290-T322 CarbonylContact C-O 3.55Å; R290-T322 WeakPolarHBondContact CA-O 3.24Å; R290-T322 WeakPolarHBondContact CB-O 3.4Å; I291-T322 PolarHBondContact N-O 3.49Å; I291-T322 PolarHBondContact O-N 3.48Å; E293-T322 HydrophobicContact CB-CG2 3.92Å; E293-T322 HydrophobicContact CG-CG2 4.14Å; E293-T322 PolarHBondContact OE2-OG1 2.83Å; V320-T322 HydrophobicContact CG1-CG2 4.3Å; T322-A324 PolarHBondContact O-N 3.19Å; T322-E336 WeakPolarHBondContact CA-OE2 3.37Å; T322-E336 HydrophobicContact CG2-CB 4.47Å; T322-E336 HydrophobicContact CG2-CG 4.15Å |
| 323 | C | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 124.9 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 112.8 | C284 D325 S326 C327 E336 | C284-C323 HydrophobicContact CB-CB 4.05Å; C323-D325 PolarHBondContact O-N 3.34Å; C323-S326 PolarHBondContact O-N 3.2Å; C323-C327 PolarHBondContact SG-N 3.24Å; C323-E336 PolarHBondContact N-OE1 3.06Å; C323-E336 PolarHBondContact N-OE2 3.14Å |
| 324 | A | 95.5 | Very high | 94 | Very high | 21 Ų | 21 | 29 Ų | 29 | 17% | 0.174 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -47.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R263 R289 I291 T322 S326 | R263-A324 PolarHBondContact NH2-O 3.12Å; R289-A324 HydrophobicContact CG-CB 4.03Å; R289-A324 WeakPolarHBondContact O-CB 3.32Å; R289-A324 PolarHBondContact O-N 2.98Å; I291-A324 HydrophobicContact CD1-CB 4.34Å; I291-A324 HydrophobicContact CG1-CB 4.31Å; I291-A324 HydrophobicContact CG2-CB 3.89Å; T322-A324 PolarHBondContact O-N 3.19Å; A324-S326 PolarHBondContact O-N 2.54Å |
| 325 | D | 94.8 | Very high | 94.5 | Very high | 108 Ų | 108 | 28.5 Ų | 28.5 | 58% | 0.578 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -1.2 | -179.7 | -61.8 | -19.9 | 0 | 0 | 0 | 113.7 | Q68 S288 C323 C327 | Q68-D325 PolarHBondContact NE2-O 3.09Å; S288-D325 WeakPolarHBondContact CB-OD2 3.27Å; S288-D325 PolarHBondContact OG-OD2 3.24Å; C323-D325 PolarHBondContact O-N 3.34Å; D325-C327 VanDerWaalsContact C-N 3.28Å; D325-C327 PolarHBondContact O-N 3.07Å |
| 326 | S | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | 40.9 | 53.2 | -167.5 | -145.3 | 0 | 0 | 0 | 0 | 113.9 | Q68 R74 R99 Q101 C323 A324 | Q68-S326 VanDerWaalsContact OE1-CB 3.32Å; R74-S326 PolarHBondContact NE-OG 2.95Å; R99-S326 PolarHBondContact NH1-O 3.48Å; R99-S326 PolarHBondContact NH1-OG 2.89Å; Q101-S326 VanDerWaalsContact CD-OG 3.32Å; Q101-S326 PolarHBondContact NE2-O 2.87Å; Q101-S326 PolarHBondContact OE1-OG 3.16Å; C323-S326 PolarHBondContact O-N 3.2Å; A324-S326 PolarHBondContact O-N 2.54Å | ||
| 327 | C | 94.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 31 Ų | 31 | 11% | 0.108 | 17% | 0.171 | C | C | . | . | trans | -49.6 | 142.8 | -170.6 | 70 | 0 | 0 | 0 | 0 | 114.9 | R99 Q101 C286 C323 D325 | R99-C327 VanDerWaalsContact NH1-N 3.19Å; R99-C327 PolarHBondContact NH1-O 3.23Å; R99-C327 PolarHBondContact NH2-O 3.44Å; R99-C327 PolarHBondContact NH2-SG 3.1Å; Q101-C327 PolarHBondContact NE2-O 3.05Å; Q101-C327 VanDerWaalsContact NE2-O 3.11Å; C286-C327 HydrophobicContact CB-CB 3.73Å; C286-C327 WeakPolarHBondContact SG-CB 3.24Å; C286-C327 VanDerWaalsContact SG-SG 3.63Å; C323-C327 PolarHBondContact SG-N 3.24Å; D325-C327 VanDerWaalsContact C-N 3.28Å; D325-C327 PolarHBondContact O-N 3.07Å | ||
| 328 | D | 90.3 | Very high | 95.1 | Very high | 78 Ų | 78 | 31.4 Ų | 31.4 | 42% | 0.417 | 17% | 0.173 | S | C | . | . | trans | -79.2 | 126.4 | 177.3 | -170.6 | -0 | 0 | 0 | 0 | 110.3 | R70 G330 | R70-D328 WeakPolarHBondContact CD-OD2 3.5Å; R70-D328 HydrophobicContact CG-CB 4.49Å; R70-D328 IonicContact CZ-OD2 3Å; R70-D328 IonicContact NE-OD2 2.82Å; R70-D328 PolarHBondContact NE-OD2 2.81Å; R70-D328 VanDerWaalsContact NE-OD2 3.09Å; D328-G330 PolarHBondContact OD1-N 3.34Å | ||
| 329 | Q | 83.9 | Confident | 95 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 34% | 0.336 | 18% | 0.181 | S | C | . | . | trans | -123.2 | 18.9 | 175.8 | -62.6 | -64.4 | -44.3 | 0 | 0 | 110.9 | K332 S334 | Q329-K332 HydrophobicContact CB-CB 4.37Å; Q329-K332 WeakPolarHBondContact O-CB 3.42Å; Q329-K332 PolarHBondContact O-N 3.25Å; Q329-S334 VanDerWaalsContact CG-OG 3.32Å; Q329-S334 WeakPolarHBondContact CG-OG 3.28Å | ||
| 330 | G | 89.9 | Confident | 94.9 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 34% | 0.34 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | -134.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111 | D328 K332 | D328-G330 PolarHBondContact OD1-N 3.34Å; G330-K332 VanDerWaalsContact C-N 3.26Å; G330-K332 PolarHBondContact O-N 3.21Å |
| 331 | N | 90.1 | Very high | 94.8 | Very high | 44 Ų | 44 | 33.4 Ų | 33.4 | 24% | 0.235 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 3.5 | -178.1 | -68 | -18.8 | 0 | 0 | 0 | 113.5 | S36 L38 F108 | S36-N331 WeakPolarHBondContact CB-O 3.35Å; S36-N331 WeakPolarHBondContact OG-CB 3.21Å; S36-N331 PolarHBondContact OG-O 3.32Å; L38-N331 HydrophobicContact CB-CB 4.37Å; F108-N331 HydrophobicContact CZ-CB 4.49Å |
| 332 | K | 93.3 | Very high | 94.5 | Very high | 121 Ų | 121 | 33.5 Ų | 33.5 | 53% | 0.526 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -79.5 | 154.6 | -176.5 | -63.4 | -176.7 | 179 | -178.1 | 0 | 112.4 | D39 Q329 G330 | D39-K332 HydrophobicContact CB-CB 4.42Å; D39-K332 HydrophobicContact CB-CG 3.87Å; D39-K332 WeakPolarHBondContact OD2-CG 3.37Å; Q329-K332 HydrophobicContact CB-CB 4.37Å; Q329-K332 WeakPolarHBondContact O-CB 3.42Å; Q329-K332 PolarHBondContact O-N 3.25Å; G330-K332 VanDerWaalsContact C-N 3.26Å; G330-K332 PolarHBondContact O-N 3.21Å |
| 333 | Y | 95.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -86.7 | 120.9 | 171.4 | -73.5 | -108.6 | 0 | 0 | 0 | 109.7 | W34 L35 S36 D39 I40 P41 F77 F98 R99 S100 | W34-Y333 HydrophobicContact CE3-CD1 4.35Å; W34-Y333 AromaticContact CE3-CE1 3.42Å; W34-Y333 HydrophobicContact CE3-CE1 3.42Å; W34-Y333 VanDerWaalsContact CE3-CE1 3.42Å; W34-Y333 AromaticContact CE3-CZ 3.58Å; W34-Y333 HydrophobicContact CZ3-CD1 4.09Å; W34-Y333 AromaticContact CZ3-CE1 3.59Å; W34-Y333 HydrophobicContact CZ3-CE1 3.59Å; L35-Y333 PolarHBondContact N-OH 2.74Å; L35-Y333 VanDerWaalsContact N-OH 3.11Å; S36-Y333 PolarHBondContact N-OH 3.27Å; S36-Y333 VanDerWaalsContact N-OH 3.14Å; S36-Y333 PolarHBondContact O-OH 2.92Å; D39-Y333 WeakPolarHBondContact O-CD2 3.24Å; I40-Y333 HydrophobicContact CG1-CE2 4.22Å; P41-Y333 VanDerWaalsContact CD-CG 3.48Å; P41-Y333 HydrophobicContact CG-CD1 4.13Å; P41-Y333 HydrophobicContact CG-CD2 4.39Å; P41-Y333 HydrophobicContact CG-CG 3.78Å; F77-Y333 HydrophobicContact CD2-CD1 4.29Å; F77-Y333 AromaticContact CD2-CE1 3.93Å; F77-Y333 HydrophobicContact CD2-CE1 3.93Å; F77-Y333 HydrophobicContact CE2-CD1 4.35Å; F77-Y333 AromaticContact CE2-CE1 3.61Å; F77-Y333 HydrophobicContact CE2-CE1 3.61Å; F77-Y333 HydrophobicContact CZ-CE1 4.14Å; F98-Y333 HydrophobicContact CB-CD1 4.18Å; R99-Y333 WeakPolarHBondContact O-CA 3.42Å; S100-Y333 VanDerWaalsContact CB-CE1 3.46Å |
| 334 | S | 96.4 | Very high | 93 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 128.1 | 177 | -53.7 | 0 | 0 | 0 | 0 | 109.7 | F98 R99 Q329 E336 | F98-S334 CarbonylContact C-O 3.26Å; F98-S334 VanDerWaalsContact CA-O 3.27Å; F98-S334 WeakPolarHBondContact CA-O 3.3Å; R99-S334 PolarHBondContact N-O 3.3Å; R99-S334 PolarHBondContact NH2-OG 3.07Å; R99-S334 PolarHBondContact O-N 2.67Å; Q329-S334 VanDerWaalsContact CG-OG 3.32Å; Q329-S334 WeakPolarHBondContact CG-OG 3.28Å; S334-E336 PolarHBondContact O-N 3.33Å |
| 335 | S | 97.1 | Very high | 91.4 | Very high | 69 Ų | 69 | 45 Ų | 45 | 48% | 0.483 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 124.6 | 171 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | R290 | R290-S335 PolarHBondContact NH2-O 3.47Å |
| 336 | E | 97.8 | Very high | 89.1 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 176.1 | 176.7 | -62.8 | -62.4 | -173.7 | 0 | 0 | 110.9 | V97 R99 R290 T322 C323 S334 | V97-E336 HydrophobicContact CB-CB 4.24Å; V97-E336 HydrophobicContact CG1-CB 3.86Å; V97-E336 PolarHBondContact O-N 2.89Å; R99-E336 HydrophobicContact CB-CG 3.63Å; R99-E336 WeakPolarHBondContact CD-OE1 3.13Å; R99-E336 IonicContact CZ-OE1 2.69Å; R99-E336 IonicContact NE-OE1 3.81Å; R99-E336 PolarHBondContact NE-OE1 2.65Å; R99-E336 IonicContact NH2-OE1 3.89Å; R290-E336 IonicContact CZ-OE2 3.61Å; R290-E336 IonicContact NE-OE2 2.89Å; R290-E336 PolarHBondContact NE-OE2 3.26Å; T322-E336 WeakPolarHBondContact CA-OE2 3.37Å; T322-E336 HydrophobicContact CG2-CB 4.47Å; T322-E336 HydrophobicContact CG2-CG 4.15Å; C323-E336 PolarHBondContact N-OE1 3.06Å; C323-E336 PolarHBondContact N-OE2 3.14Å; S334-E336 PolarHBondContact O-N 3.33Å |
| 337 | F | 97.7 | Very high | 86.2 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 19% | 0.189 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 142.3 | -170.3 | -175.4 | -107 | 0 | 0 | 0 | 111.5 | I281 P282 Y321 W339 | I281-F337 HydrophobicContact CG1-CD1 4.49Å; I281-F337 HydrophobicContact CG1-CE1 4.21Å; I281-F337 HydrophobicContact CG2-CD1 3.97Å; I281-F337 HydrophobicContact CG2-CE1 4.4Å; P282-F337 HydrophobicContact CG-CD2 3.58Å; P282-F337 HydrophobicContact CG-CE2 3.87Å; P282-F337 HydrophobicContact CG-CG 4.08Å; Y321-F337 AromaticContact CD2-CD1 3.82Å; Y321-F337 HydrophobicContact CD2-CD1 3.82Å; Y321-F337 HydrophobicContact CD2-CE1 4.4Å; Y321-F337 HydrophobicContact CG-CD1 4.26Å; Y321-F337 PolarHBondContact N-O 3.33Å; Y321-F337 PolarHBondContact O-N 3.14Å; Y321-F337 VanDerWaalsContact O-N 3.09Å; F337-W339 HydrophobicContact CE1-CB 4.28Å; F337-W339 AromaticContact CE1-CE3 3.76Å; F337-W339 HydrophobicContact CE1-CE3 3.76Å; F337-W339 AromaticContact CZ-CE3 3.68Å; F337-W339 HydrophobicContact CZ-CE3 3.68Å; F337-W339 HydrophobicContact CZ-CZ3 4.19Å |
| 338 | I | 97.9 | Very high | 85.8 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 5% | 0.046 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.2 | 176.5 | -172.6 | 161.9 | 0 | 0 | 0 | 109.3 | V78 S92 L95 V97 L318 A319 V320 | V78-I338 HydrophobicContact CG1-CD1 3.95Å; S92-I338 WeakPolarHBondContact CB-O 3.42Å; S92-I338 PolarHBondContact OG-O 2.88Å; L95-I338 HydrophobicContact CB-CD1 4.17Å; L95-I338 HydrophobicContact CB-CG2 3.73Å; L95-I338 HydrophobicContact CD1-CD1 3.94Å; L95-I338 HydrophobicContact CD1-CG1 4.21Å; L95-I338 HydrophobicContact CD1-CG2 4.45Å; V97-I338 HydrophobicContact CG2-CB 3.61Å; V97-I338 HydrophobicContact CG2-CD1 3.74Å; V97-I338 HydrophobicContact CG2-CG1 4.23Å; V97-I338 HydrophobicContact CG2-CG2 3.94Å; L318-I338 HydrophobicContact CB-CD1 4.1Å; L318-I338 HydrophobicContact CB-CG1 4.32Å; L318-I338 HydrophobicContact CD1-CD1 4.28Å; A319-I338 WeakPolarHBondContact O-CA 3.36Å; V320-I338 HydrophobicContact CG2-CD1 4.09Å; V320-I338 HydrophobicContact CG2-CG1 4.23Å |
| 339 | W | 97.3 | Very high | 85.6 | Confident | 39 Ų | 39 | 62.8 Ų | 62.8 | 15% | 0.148 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.9 | 178.5 | -171.7 | -86.3 | 0 | 0 | 0 | 109.6 | W269 H274 P276 L318 A319 Y321 F337 | W269-W339 AromaticContact CH2-CD1 3.78Å; W269-W339 HydrophobicContact CH2-CG 4.47Å; W269-W339 AromaticContact CZ3-CD1 3.78Å; H274-W339 AromaticContact CD2-CE2 3.66Å; H274-W339 AromaticContact CD2-CZ2 3.67Å; H274-W339 AromaticContact CD2-NE1 3.36Å; H274-W339 PolarHBondContact CD2-NE1 3.46Å; H274-W339 AromaticContact CE1-CE2 3.95Å; H274-W339 AromaticContact CE1-CH2 3.83Å; H274-W339 AromaticContact CE1-CZ2 3.32Å; H274-W339 WeakPolarHBondContact CE1-CZ2 3.1Å; H274-W339 AromaticContact CG-CZ2 3.96Å; H274-W339 AromaticContact ND1-CZ2 3.76Å; H274-W339 AromaticContact NE2-CE2 3.37Å; H274-W339 AromaticContact NE2-CZ2 3.24Å; H274-W339 WeakPolarHBondContact NE2-CZ2 3.28Å; H274-W339 AromaticContact NE2-NE1 3.53Å; H274-W339 WeakPolarHBondContact O-CZ2 3.21Å; H274-W339 PolarHBondContact O-NE1 3.02Å; P276-W339 HydrophobicContact CB-CD2 3.86Å; P276-W339 HydrophobicContact CB-CE3 4Å; P276-W339 HydrophobicContact CB-CG 4.43Å; P276-W339 HydrophobicContact CB-CH2 4.11Å; P276-W339 HydrophobicContact CB-CZ2 3.97Å; P276-W339 HydrophobicContact CB-CZ3 4.13Å; P276-W339 HydrophobicContact CG-CD2 4.07Å; P276-W339 HydrophobicContact CG-CG 4.13Å; L318-W339 CarbonylContact C-O 3.58Å; L318-W339 WeakPolarHBondContact CA-O 3.47Å; A319-W339 HydrophobicContact CB-CB 4.39Å; A319-W339 PolarHBondContact N-O 3.35Å; A319-W339 PolarHBondContact O-N 2.97Å; Y321-W339 HydrophobicContact CE2-CB 3.96Å; F337-W339 HydrophobicContact CE1-CB 4.28Å; F337-W339 AromaticContact CE1-CE3 3.76Å; F337-W339 HydrophobicContact CE1-CE3 3.76Å; F337-W339 AromaticContact CZ-CE3 3.68Å; F337-W339 HydrophobicContact CZ-CE3 3.68Å; F337-W339 HydrophobicContact CZ-CZ3 4.19Å |
| 340 | K | 95.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 125.8 | 176 | 178.1 | 177.8 | -172.8 | -95.3 | 0 | 109.9 | D91 S92 L95 H274 D314 W315 L318 D342 | D91-K340 WeakPolarHBondContact O-CD 2.98Å; S92-K340 WeakPolarHBondContact OG-CB 2.9Å; S92-K340 PolarHBondContact OG-N 3.14Å; L95-K340 HydrophobicContact CD1-CB 4.12Å; L95-K340 HydrophobicContact CD1-CD 4.34Å; H274-K340 PolarHBondContact CD2-O 2.94Å; H274-K340 PolarHBondContact NE2-O 2.85Å; D314-K340 WeakPolarHBondContact O-CE 3.42Å; D314-K340 PolarHBondContact O-NZ 3.38Å; W315-K340 HydrophobicContact CB-CG 4.22Å; L318-K340 HydrophobicContact CD2-CB 3.73Å; L318-K340 HydrophobicContact CD2-CD 4.33Å; L318-K340 HydrophobicContact CD2-CG 3.7Å; K340-D342 VanDerWaalsContact CE-OD1 3.27Å; K340-D342 WeakPolarHBondContact CE-OD1 3.49Å; K340-D342 IonicContact NZ-OD1 2.66Å; K340-D342 PolarHBondContact NZ-OD1 3.06Å; K340-D342 IonicContact NZ-OD2 3.2Å; K340-D342 PolarHBondContact NZ-OD2 2.75Å |
| 341 | Q | 94.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.5 | 165.9 | -176 | -173.7 | 59.9 | 0 | 0 | 108.7 | N90 W269 V270 S271 E273 G316 T317 | N90-Q341 WeakPolarHBondContact OD1-CA 3.45Å; W269-Q341 HydrophobicContact CE3-CB 4.24Å; W269-Q341 HydrophobicContact CZ3-CB 4.25Å; V270-Q341 HydrophobicContact CG2-CG 3.96Å; S271-Q341 PolarHBondContact O-NE2 2.77Å; E273-Q341 PolarHBondContact O-NE2 3.17Å; G316-Q341 CarbonylContact C-O 3.51Å; G316-Q341 VanDerWaalsContact CA-O 3.23Å; G316-Q341 WeakPolarHBondContact CA-O 3.44Å; G316-Q341 PolarHBondContact N-O 2.89Å; T317-Q341 HydrophobicContact CG2-CB 3.86Å; T317-Q341 PolarHBondContact N-O 3.25Å; T317-Q341 PolarHBondContact O-N 3.26Å |
| 342 | D | 92 | Very high | 85.1 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.08 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 159.9 | 174.2 | -65.4 | -52.2 | 0 | 0 | 0 | 111.7 | R89 N90 W315 K340 | R89-D342 VanDerWaalsContact CA-OD2 3.25Å; R89-D342 WeakPolarHBondContact CA-OD2 3.21Å; R89-D342 HydrophobicContact CG-CB 4.4Å; N90-D342 PolarHBondContact N-OD2 3.43Å; N90-D342 PolarHBondContact OD1-N 2.96Å; W315-D342 WeakPolarHBondContact CA-OD1 3.46Å; K340-D342 VanDerWaalsContact CE-OD1 3.27Å; K340-D342 WeakPolarHBondContact CE-OD1 3.49Å; K340-D342 IonicContact NZ-OD1 2.66Å; K340-D342 PolarHBondContact NZ-OD1 3.06Å; K340-D342 IonicContact NZ-OD2 3.2Å; K340-D342 PolarHBondContact NZ-OD2 2.75Å |
| 343 | F | 85.8 | Confident | 84.6 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 31% | 0.311 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 148.6 | 167.9 | -63.5 | -70.9 | 0 | 0 | 0 | 110.4 | F244 V270 P298 E345 | F244-F343 HydrophobicContact CD2-CD1 4.38Å; F244-F343 AromaticContact CE2-CD1 3.71Å; F244-F343 HydrophobicContact CE2-CD1 3.71Å; F244-F343 AromaticContact CE2-CE1 3.71Å; F244-F343 HydrophobicContact CE2-CE1 3.71Å; V270-F343 HydrophobicContact CB-CD1 3.89Å; V270-F343 HydrophobicContact CB-CE1 3.88Å; V270-F343 HydrophobicContact CG1-CD1 4.1Å; V270-F343 HydrophobicContact CG1-CE1 3.57Å; V270-F343 HydrophobicContact CG1-CZ 4.29Å; V270-F343 HydrophobicContact CG2-CD1 4.09Å; V270-F343 HydrophobicContact CG2-CE1 4.36Å; P298-F343 HydrophobicContact CB-CE2 4.09Å; P298-F343 HydrophobicContact CB-CZ 3.96Å; P298-F343 HydrophobicContact CG-CZ 3.87Å; F343-E345 PolarHBondContact O-N 3.44Å |
| 344 | T | 77.5 | Confident | 83.8 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 127.3 | 170.5 | 37.6 | 0 | 0 | 0 | 0 | 109 | D240 S271 Q346 | D240-T344 WeakPolarHBondContact OD2-CB 3.36Å; D240-T344 WeakPolarHBondContact OD2-CG2 3.39Å; D240-T344 PolarHBondContact OD2-OG1 3.16Å; S271-T344 WeakPolarHBondContact OG-CG2 3.28Å; T344-Q346 PolarHBondContact O-N 2.93Å; T344-Q346 VanDerWaalsContact O-N 3.15Å |
| 345 | E | 62.9 | Low | 82.8 | Confident | 153 Ų | 153 | 69.2 Ų | 69.2 | 72% | 0.715 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 117.7 | 169.5 | -70.9 | 175.6 | 178.7 | 0 | 0 | 107.4 | F343 K347 | F343-E345 PolarHBondContact O-N 3.44Å; E345-K347 PolarHBondContact O-N 2.98Å; E345-K347 VanDerWaalsContact O-N 3.08Å |
| 346 | Q | 45.7 | Very low | 81.6 | Confident | 175 Ų | 175 | 69.3 Ų | 69.3 | 82% | 0.818 | 32% | 0.317 | S | S | * | . | trans | -59.4 | 113.9 | 165.1 | -70.8 | 178.4 | -13 | 0 | 0 | 106.4 | T344 | T344-Q346 PolarHBondContact O-N 2.93Å; T344-Q346 VanDerWaalsContact O-N 3.15Å | ||
| 347 | K | 34.2 | Very low | 80.1 | Confident | 274 Ų | 274 | 74.7 Ų | 74.7 | 100% | 1.191 | 34% | 0.342 | S | S | * | . | trans | -74.4 | 0 | 178.6 | -90.3 | -174.2 | 176.4 | 176.7 | 0 | 112.1 | E345 | E345-K347 PolarHBondContact O-N 2.98Å; E345-K347 VanDerWaalsContact O-N 3.08Å |
Retrieved 347 of 347 residues in 491.7 ms
(Link to these results)