| 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 | 40.5 | Very low | 32.3 | Very low | 244 Ų | 244 | 154.8 Ų | 154.8 | 100% | 1.202 | 85% | 0.852 | S | S | * | * | 0 | 134.1 | 0 | -87.1 | 177.6 | 174.9 | 0 | 0 | 107.9 | |||||
| 2 | M | 36.1 | Very low | 32.3 | Very low | 188 Ų | 188 | 158.8 Ų | 158.8 | 93% | 0.926 | 86% | 0.855 | S | S | * | * | trans | 71.1 | 122.2 | -159.8 | -68.2 | 177.6 | 90.4 | 0 | 0 | 116.5 | ||||
| 3 | R | 31.3 | Very low | 32.1 | Very low | 254 Ų | 254 | 152.9 Ų | 152.9 | 96% | 0.958 | 83% | 0.828 | S | S | * | * | 171 | 138.1 | 121.9 | -94.1 | 179.1 | 179.8 | -164.1 | 0.2 | 111.9 | |||||
| 4 | G | 28.8 | Very low | 32.2 | Very low | 78 Ų | 78 | 147.5 Ų | 147.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 114.8 | 108.4 | 132.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 5 | L | 38.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | trans | -56.3 | 151.4 | 156 | -87.2 | 77.4 | 0 | 0 | 0 | 112.2 | ||||
| 6 | I | 29.4 | Very low | 32.6 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | 179.5 | 141.8 | 113.1 | -84.7 | 158 | 0 | 0 | 0 | 109.9 | |||||
| 7 | A | 33.9 | Very low | 33 | Very low | 83 Ų | 83 | 141.9 Ų | 141.9 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | trans | -78.4 | 159.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 8 | F | 30.8 | Very low | 34.3 | Very low | 208 Ų | 208 | 141.3 Ų | 141.3 | 91% | 0.912 | 78% | 0.783 | S | S | * | * | trans | -163.3 | 99.9 | 138.1 | -108.9 | -85.7 | 0 | 0 | 0 | 106.7 | ||||
| 9 | A | 28.7 | Very low | 36 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 65% | 0.653 | 78% | 0.776 | S | S | * | * | 66.4 | 84.2 | 98.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 10 | A | 29.5 | Very low | 38.1 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | trans | -139.5 | 75 | 137.1 | 0 | 0 | 0 | 0 | 0 | 104.4 | F12 | A10-F12 PolarHBondContact O-N 2.64Å; A10-F12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | L | 28.6 | Very low | 40.5 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | 28.4 | 63.2 | 89 | -129.3 | 97.5 | 0 | 0 | 0 | 111.1 | V13 | L11-V13 HydrophobicContact CD2-CB 4.02Å; L11-V13 HydrophobicContact CD2-CG2 3.29Å; L11-V13 HydrophobicContact CG-CB 4.41Å; L11-V13 HydrophobicContact CG-CG2 3.69Å; L11-V13 PolarHBondContact O-N 2.97Å | |||
| 12 | F | 32.1 | Very low | 42.9 | Very low | 202 Ų | 202 | 127.9 Ų | 127.9 | 89% | 0.886 | 71% | 0.705 | S | S | * | * | trans | -67.6 | 71.2 | 144.3 | -106.6 | -86.5 | 0 | 0 | 0 | 106.6 | A10 A14 | A10-F12 PolarHBondContact O-N 2.64Å; A10-F12 VanDerWaalsContact O-N 3.12Å; F12-A14 PolarHBondContact O-N 3.42Å | ||
| 13 | V | 29.6 | Very low | 45.3 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 50% | 0.503 | 68% | 0.675 | S | S | . | * | trans | -62 | 80.9 | 137.2 | 163.7 | 0 | 0 | 0 | 0 | 103.8 | L11 V15 | L11-V13 HydrophobicContact CD2-CB 4.02Å; L11-V13 HydrophobicContact CD2-CG2 3.29Å; L11-V13 HydrophobicContact CG-CB 4.41Å; L11-V13 HydrophobicContact CG-CG2 3.69Å; L11-V13 PolarHBondContact O-N 2.97Å; V13-V15 HydrophobicContact CG1-CB 4.02Å; V13-V15 HydrophobicContact CG1-CG2 3.1Å; V13-V15 VanDerWaalsContact CG1-N 3.33Å; V13-V15 PolarHBondContact O-N 2.84Å | ||
| 14 | A | 32.8 | Very low | 48.3 | Very low | 77 Ų | 77 | 109.4 Ų | 109.4 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | trans | -63 | 87.7 | 132.7 | 0 | 0 | 0 | 0 | 0 | 102.4 | F12 L16 | F12-A14 PolarHBondContact O-N 3.42Å; A14-L16 PolarHBondContact O-N 3.02Å | ||
| 15 | V | 33.9 | Very low | 51.4 | Low | 99 Ų | 99 | 107.2 Ų | 107.2 | 60% | 0.6 | 60% | 0.603 | S | S | * | * | trans | -46.8 | 123.9 | 152.7 | -171.1 | 0 | 0 | 0 | 0 | 101.6 | V13 A17 | V13-V15 HydrophobicContact CG1-CB 4.02Å; V13-V15 HydrophobicContact CG1-CG2 3.1Å; V13-V15 VanDerWaalsContact CG1-N 3.33Å; V13-V15 PolarHBondContact O-N 2.84Å; V15-A17 HydrophobicContact CB-CB 3.97Å; V15-A17 HydrophobicContact CG1-CB 3.84Å; V15-A17 PolarHBondContact O-N 3Å | ||
| 16 | L | 38 | Very low | 54 | Low | 176 Ų | 176 | 99.6 Ų | 99.6 | 92% | 0.921 | 56% | 0.564 | S | S | * | * | trans | -61.6 | 60.3 | 154.2 | -74.4 | 153.5 | 0 | 0 | 0 | 106.7 | A14 K18 | A14-L16 PolarHBondContact O-N 3.02Å; L16-K18 PolarHBondContact O-N 2.88Å | ||
| 17 | A | 39.3 | Very low | 56.9 | Low | 73 Ų | 73 | 91.4 Ų | 91.4 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | trans | -73.5 | 97.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 101.4 | V15 E19 | V15-A17 HydrophobicContact CB-CB 3.97Å; V15-A17 HydrophobicContact CG1-CB 3.84Å; V15-A17 PolarHBondContact O-N 3Å; A17-E19 PolarHBondContact O-N 2.88Å | ||
| 18 | K | 55.5 | Low | 59.7 | Low | 130 Ų | 130 | 90.9 Ų | 90.9 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | trans | -48.9 | 113.9 | 167.1 | -156.9 | -179 | -163.6 | -169.2 | 0 | 105.2 | L16 T20 R102 | L16-K18 PolarHBondContact O-N 2.88Å; K18-T20 PolarHBondContact O-N 2.86Å; K18-R102 VanDerWaalsContact CE-NH2 3.34Å | ||
| 19 | E | 66.1 | Low | 62.6 | Low | 141 Ų | 141 | 81 Ų | 81 | 66% | 0.659 | 46% | 0.459 | S | S | * | . | trans | -56.4 | 127.1 | 179.1 | -156.1 | 176.1 | -178.4 | 0 | 0 | 107.4 | A17 F21 | A17-E19 PolarHBondContact O-N 2.88Å; E19-F21 HydrophobicContact CG-CZ 4.48Å | ||
| 20 | T | 79.9 | Confident | 65.3 | Low | 77 Ų | 77 | 79.9 Ų | 79.9 | 47% | 0.472 | 44% | 0.444 | S | S | . | . | trans | -106.2 | 137.8 | 179.9 | 56.4 | 0 | 0 | 0 | 0 | 108.6 | K18 | K18-T20 PolarHBondContact O-N 2.86Š| ||
| 21 | F | 88.3 | Confident | 68.1 | Low | 38 Ų | 38 | 75.7 Ų | 75.7 | 17% | 0.167 | 41% | 0.409 | C | S | . | . | trans | -103.9 | 28.7 | 179.6 | -59.4 | -78.6 | 0 | 0 | 0 | 111.5 | E19 G23 H24 V94 Q95 L98 | E19-F21 HydrophobicContact CG-CZ 4.48Å; F21-G23 PolarHBondContact O-N 2.61Å; F21-H24 WeakPolarHBondContact CA-CD2 3.45Å; F21-H24 HydrophobicContact CB-CB 4.22Å; F21-H24 WeakPolarHBondContact O-CB 3.2Å; F21-H24 PolarHBondContact O-CD2 3.27Å; F21-H24 PolarHBondContact O-N 2.67Å; F21-V94 HydrophobicContact CB-CB 3.99Å; F21-V94 HydrophobicContact CB-CG1 3.84Å; F21-V94 HydrophobicContact CG-CG1 4.21Å; F21-Q95 HydrophobicContact CB-CB 4.47Å; F21-Q95 PolarHBondContact O-N 3.28Å; F21-L98 HydrophobicContact CB-CD1 4.45Å; F21-L98 HydrophobicContact CD2-CD1 3.38Å; F21-L98 HydrophobicContact CE2-CD1 3.98Å; F21-L98 HydrophobicContact CG-CD1 4.22Å | ||
| 22 | E | 89.6 | Confident | 71 | Confident | 131 Ų | 131 | 73.1 Ų | 73.1 | 61% | 0.612 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 120.7 | -176.7 | -73 | -177.7 | -173.3 | 0 | 0 | 109.8 | H24 Q95 | E22-H24 PolarHBondContact O-N 3.02Å; E22-Q95 HydrophobicContact CB-CB 4.45Å; E22-Q95 HydrophobicContact CG-CB 4.01Å; E22-Q95 HydrophobicContact CG-CG 3.72Å |
| 23 | G | 87.4 | Confident | 73.8 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 6.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F21 D93 | F21-G23 PolarHBondContact O-N 2.61Å; G23-D93 PolarHBondContact N-OD1 3.39Å; G23-D93 VanDerWaalsContact N-OD1 3.15Å |
| 24 | H | 93.4 | Very high | 76.5 | Confident | 23 Ų | 23 | 69.2 Ų | 69.2 | 11% | 0.106 | 37% | 0.373 | C | S | . | . | trans | -67.8 | 137 | 167.2 | -72.8 | -117.5 | 0 | 0 | 0 | 109.4 | F21 E22 R67 V68 P69 P70 D93 V94 | F21-H24 WeakPolarHBondContact CA-CD2 3.45Å; F21-H24 HydrophobicContact CB-CB 4.22Å; F21-H24 WeakPolarHBondContact O-CB 3.2Å; F21-H24 PolarHBondContact O-CD2 3.27Å; F21-H24 PolarHBondContact O-N 2.67Å; E22-H24 PolarHBondContact O-N 3.02Å; H24-R67 HydrophobicContact CB-CG 4.18Å; H24-R67 PolarHBondContact CE1-NH1 3.1Å; H24-R67 PolarHBondContact ND1-NH1 3.14Å; H24-V68 WeakPolarHBondContact CA-O 3.47Å; H24-P69 WeakPolarHBondContact ND1-CA 3.46Å; H24-P70 WeakPolarHBondContact CD2-CD 3.38Å; H24-P70 WeakPolarHBondContact NE2-CD 3.38Å; H24-D93 WeakPolarHBondContact O-CA 3.46Å; H24-V94 HydrophobicContact CB-CB 4.13Å; H24-V94 HydrophobicContact CB-CG2 4.12Å; H24-V94 WeakPolarHBondContact O-CG2 3.26Å; H24-V94 PolarHBondContact O-N 3.36Å | ||
| 25 | Q | 93.9 | Very high | 79.1 | Confident | 32 Ų | 32 | 71.6 Ų | 71.6 | 15% | 0.15 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 151 | 175.1 | -63.7 | -160.3 | -30.1 | 0 | 0 | 111 | L27 R67 V68 L73 T89 I91 E92 | Q25-L27 HydrophobicContact CB-CD2 4.29Å; Q25-R67 CarbonylContact O-C 3.53Å; Q25-R67 WeakPolarHBondContact O-CA 3.38Å; Q25-V68 PolarHBondContact N-O 2.64Å; Q25-V68 VanDerWaalsContact N-O 3.14Å; Q25-V68 PolarHBondContact O-N 2.67Å; Q25-L73 HydrophobicContact CB-CD1 3.93Å; Q25-L73 HydrophobicContact CB-CD2 4.36Å; Q25-L73 HydrophobicContact CG-CD1 4.23Å; Q25-L73 HydrophobicContact CG-CD2 3.75Å; Q25-T89 HydrophobicContact CB-CG2 4.42Å; Q25-I91 CarbonylContact C-O 3.58Å; Q25-I91 VanDerWaalsContact CA-O 3.27Å; Q25-I91 WeakPolarHBondContact CA-O 3.36Å; Q25-E92 WeakPolarHBondContact CG-O 3.27Å; Q25-E92 PolarHBondContact NE2-O 2.85Å |
| 26 | V | 92.6 | Very high | 81.7 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.024 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.1 | 165.3 | -178 | 0 | 0 | 0 | 0 | 108.3 | W54 D65 V66 R67 M90 I91 V94 | V26-W54 HydrophobicContact CG1-CE3 4.12Å; V26-W54 HydrophobicContact CG1-CZ3 4.45Å; V26-W54 HydrophobicContact CG2-CD2 4.33Å; V26-W54 HydrophobicContact CG2-CE3 4.03Å; V26-W54 HydrophobicContact CG2-CH2 3.67Å; V26-W54 HydrophobicContact CG2-CZ2 3.98Å; V26-W54 HydrophobicContact CG2-CZ3 3.7Å; V26-D65 HydrophobicContact CG1-CB 4.44Å; V26-V66 CarbonylContact C-O 3.54Å; V26-V66 WeakPolarHBondContact CA-O 3.35Å; V26-R67 HydrophobicContact CG2-CB 4.17Å; V26-M90 HydrophobicContact CB-CB 4.38Å; V26-M90 HydrophobicContact CG1-CB 4.28Å; V26-M90 WeakPolarHBondContact O-CB 3.46Å; V26-M90 PolarHBondContact O-N 2.6Å; V26-I91 HydrophobicContact CB-CB 3.94Å; V26-I91 HydrophobicContact CB-CD1 4.32Å; V26-I91 HydrophobicContact CB-CG1 4.14Å; V26-I91 HydrophobicContact CG2-CB 4.02Å; V26-I91 HydrophobicContact CG2-CD1 3.96Å; V26-I91 HydrophobicContact CG2-CG1 4.25Å; V26-I91 PolarHBondContact N-O 2.77Å; V26-I91 PolarHBondContact O-N 2.9Å; V26-V94 HydrophobicContact CG2-CG2 3.75Å |
| 27 | L | 91.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.1 | 177.1 | -54.8 | -173.9 | 0 | 0 | 0 | 109.5 | Q25 D65 V66 V68 L73 F76 K77 L80 Y87 T89 | Q25-L27 HydrophobicContact CB-CD2 4.29Å; L27-D65 WeakPolarHBondContact O-CA 3.34Å; L27-V66 HydrophobicContact CB-CG2 4.29Å; L27-V66 PolarHBondContact N-O 3.35Å; L27-V66 PolarHBondContact O-N 3.09Å; L27-V68 HydrophobicContact CD1-CG2 4.04Å; L27-V68 HydrophobicContact CG-CG2 4.08Å; L27-L73 HydrophobicContact CD1-CD1 4.32Å; L27-F76 HydrophobicContact CD1-CD1 4.06Å; L27-F76 HydrophobicContact CD1-CE1 4.2Å; L27-K77 HydrophobicContact CD1-CG 4.23Å; L27-L80 HydrophobicContact CD1-CD1 4.28Å; L27-Y87 HydrophobicContact CD1-CD2 4.12Å; L27-Y87 HydrophobicContact CD1-CE2 4.44Å; L27-Y87 HydrophobicContact CD2-CD2 4.27Å; L27-T89 HydrophobicContact CD2-CG2 4.26Å; L27-T89 WeakPolarHBondContact CD2-OG1 3.21Å |
| 28 | R | 91.1 | Very high | 85.9 | Confident | 73 Ų | 73 | 58.3 Ų | 58.3 | 28% | 0.275 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 124.5 | 167.8 | 171.8 | 163.9 | -69.8 | 172 | 1.1 | 109 | P63 V64 D65 Y87 S88 M90 | R28-P63 HydrophobicContact CG-CB 3.92Å; R28-V64 CarbonylContact C-O 3.6Å; R28-V64 WeakPolarHBondContact CA-O 3.46Å; R28-D65 WeakPolarHBondContact CA-OD1 3.41Å; R28-D65 VanDerWaalsContact CB-OD1 3.25Å; R28-D65 WeakPolarHBondContact CB-OD1 3.11Å; R28-D65 WeakPolarHBondContact CG-OD1 3.37Å; R28-D65 IonicContact CZ-OD1 2.72Å; R28-D65 IonicContact CZ-OD2 3.88Å; R28-D65 IonicContact NE-OD1 2.91Å; R28-D65 PolarHBondContact NE-OD1 3.28Å; R28-D65 IonicContact NE-OD2 2.96Å; R28-D65 IonicContact NH2-OD1 3.24Å; R28-D65 PolarHBondContact NH2-OD1 3.15Å; R28-D65 IonicContact NH2-OD2 3.44Å; R28-D65 PolarHBondContact NH2-OD2 3.48Å; R28-Y87 CarbonylContact O-C 3.59Å; R28-Y87 WeakPolarHBondContact O-CA 3.08Å; R28-Y87 WeakPolarHBondContact O-CB 3.48Å; R28-S88 PolarHBondContact N-O 2.87Å; R28-S88 PolarHBondContact O-N 2.8Å; R28-M90 HydrophobicContact CB-CG 3.57Å; R28-M90 HydrophobicContact CB-SD 4.13Å |
| 29 | I | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.7 | -177 | -52 | 160.7 | 0 | 0 | 0 | 108 | L40 P63 V64 V66 F76 L80 L85 | I29-L40 HydrophobicContact CB-CD1 4.33Å; I29-L40 HydrophobicContact CD1-CD2 3.94Å; I29-L40 HydrophobicContact CG2-CD1 3.77Å; I29-L40 HydrophobicContact CG2-CD2 4.13Å; I29-P63 WeakPolarHBondContact O-CA 3.49Å; I29-V64 PolarHBondContact N-O 3.39Å; I29-V64 PolarHBondContact O-N 2.72Å; I29-V66 HydrophobicContact CD1-CG2 3.81Å; I29-F76 HydrophobicContact CD1-CE1 4.07Å; I29-F76 HydrophobicContact CD1-CZ 3.93Å; I29-L80 HydrophobicContact CD1-CD1 3.89Å; I29-L80 HydrophobicContact CD1-CD2 3.85Å; I29-L80 HydrophobicContact CG1-CD1 4.06Å; I29-L80 HydrophobicContact CG1-CD2 4.45Å; I29-L80 HydrophobicContact CG2-CD2 4.43Å; I29-L85 HydrophobicContact CG2-CB 4.21Å; I29-L85 HydrophobicContact CG2-CD2 4.07Å |
| 30 | V | 86.2 | Confident | 87.9 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 34% | 0.339 | 26% | 0.255 | S | S | . | . | trans | -118.6 | 102.9 | 179.4 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | K32 P63 E86 | V30-K32 PolarHBondContact O-N 2.98Å; V30-P63 HydrophobicContact CG2-CB 4.36Å; V30-E86 PolarHBondContact N-O 3.03Å | ||
| 31 | P | 87.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -71.1 | 128.5 | 179.7 | 28 | -31.6 | 0 | 0 | 0 | 110.5 | Q36 L37 L40 S61 Y62 | P31-Q36 HydrophobicContact CB-CB 3.9Å; P31-L37 HydrophobicContact CB-CB 4.36Å; P31-L37 HydrophobicContact CB-CD1 4.15Å; P31-L37 HydrophobicContact CG-CD1 3.51Å; P31-L40 HydrophobicContact CB-CD1 4.05Å; P31-L40 HydrophobicContact CG-CD1 4.1Å; P31-S61 WeakPolarHBondContact O-CA 3.16Å; P31-S61 PolarHBondContact O-N 3.05Å; P31-Y62 VanDerWaalsContact CD-O 3.31Å; P31-Y62 WeakPolarHBondContact CD-O 2.89Å | ||
| 32 | K | 90.9 | Very high | 87.2 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | trans | -86.3 | -17.3 | -178.1 | -61.7 | 174.7 | -177.6 | 168.2 | 0 | 113.4 | V30 V60 E86 | V30-K32 PolarHBondContact O-N 2.98Å; K32-V60 VanDerWaalsContact C-CG1 3.42Å; K32-V60 VanDerWaalsContact O-CG1 3.31Å; K32-V60 WeakPolarHBondContact O-CG1 3.45Å; K32-E86 VanDerWaalsContact CE-CD 3.43Å; K32-E86 WeakPolarHBondContact CE-OE1 3.43Å; K32-E86 WeakPolarHBondContact CE-OE2 3.26Å; K32-E86 IonicContact NZ-OE1 2.69Å; K32-E86 PolarHBondContact NZ-OE1 2.87Å; K32-E86 IonicContact NZ-OE2 3.14Å | ||
| 33 | N | 89.3 | Confident | 85.7 | Confident | 71 Ų | 71 | 51.7 Ų | 51.7 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -151.9 | 171.4 | -178.2 | 60.8 | 59.8 | 0 | 0 | 0 | 112.1 | L35 Q36 L37 | N33-L35 VanDerWaalsContact C-N 3.26Å; N33-L35 PolarHBondContact O-N 3.46Å; N33-L35 WeakPolarHBondContact OD1-CB 3.49Å; N33-L35 PolarHBondContact OD1-N 3.45Å; N33-Q36 PolarHBondContact O-N 3.45Å; N33-Q36 PolarHBondContact OD1-N 3.25Å; N33-L37 PolarHBondContact O-N 3.22Å |
| 34 | E | 86.3 | Confident | 84.5 | Confident | 132 Ų | 132 | 57.3 Ų | 57.3 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63 | -28.6 | -178.1 | -69.7 | -65.1 | 163.9 | 0 | 0 | 113.7 | L37 A38 V60 | E34-L37 WeakPolarHBondContact O-CB 3.5Å; E34-L37 PolarHBondContact O-N 3.43Å; E34-L37 WeakPolarHBondContact OE2-CD2 3.46Å; E34-A38 WeakPolarHBondContact O-CB 3.37Å; E34-A38 PolarHBondContact O-N 3.03Å; E34-V60 HydrophobicContact CG-CG2 3.99Å; E34-V60 WeakPolarHBondContact OE1-CG2 3.42Å |
| 35 | L | 87.9 | Confident | 83.5 | Confident | 126 Ų | 126 | 58 Ų | 58 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -71.4 | -44.7 | 178.4 | -174.2 | 137.1 | 0 | 0 | 0 | 110.7 | N33 L37 A38 L39 | N33-L35 VanDerWaalsContact C-N 3.26Å; N33-L35 PolarHBondContact O-N 3.46Å; N33-L35 WeakPolarHBondContact OD1-CB 3.49Å; N33-L35 PolarHBondContact OD1-N 3.45Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.5Å; L35-A38 PolarHBondContact O-N 2.86Å; L35-L39 HydrophobicContact CD2-CD1 4.24Å; L35-L39 WeakPolarHBondContact O-CG 3.3Å; L35-L39 PolarHBondContact O-N 2.93Å; L35-L39 VanDerWaalsContact O-N 3.09Å |
| 36 | Q | 88.3 | Confident | 82.4 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.033 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 171.6 | -78.1 | -176.3 | -10.6 | 0 | 0 | 112.4 | P31 N33 A38 L39 L40 H83 D84 L85 | P31-Q36 HydrophobicContact CB-CB 3.9Å; N33-Q36 PolarHBondContact O-N 3.45Å; N33-Q36 PolarHBondContact OD1-N 3.25Å; Q36-A38 VanDerWaalsContact C-N 3.31Å; Q36-A38 PolarHBondContact O-N 2.86Å; Q36-L39 PolarHBondContact O-N 3.22Å; Q36-L40 WeakPolarHBondContact O-CG 3.49Å; Q36-L40 PolarHBondContact O-N 3.17Å; Q36-H83 PolarHBondContact NE2-O 2.94Å; Q36-D84 PolarHBondContact NE2-O 3.24Å; Q36-L85 HydrophobicContact CB-CD2 3.6Å; Q36-L85 HydrophobicContact CG-CD2 3.72Å; Q36-L85 HydrophobicContact CG-CG 4.19Å |
| 37 | L | 82.6 | Confident | 81.6 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 174 | -164.1 | 74.3 | 0 | 0 | 0 | 112 | P31 N33 E34 L35 L40 K41 V57 G59 V60 | P31-L37 HydrophobicContact CB-CB 4.36Å; P31-L37 HydrophobicContact CB-CD1 4.15Å; P31-L37 HydrophobicContact CG-CD1 3.51Å; N33-L37 PolarHBondContact O-N 3.22Å; E34-L37 WeakPolarHBondContact O-CB 3.5Å; E34-L37 PolarHBondContact O-N 3.43Å; E34-L37 WeakPolarHBondContact OE2-CD2 3.46Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.5Å; L37-L40 PolarHBondContact O-N 2.67Å; L37-K41 WeakPolarHBondContact O-CG 3.48Å; L37-K41 PolarHBondContact O-N 2.8Å; L37-V57 HydrophobicContact CD1-CG1 3.05Å; L37-V57 HydrophobicContact CD2-CG1 4.41Å; L37-V57 HydrophobicContact CG-CG1 3.56Å; L37-G59 VanDerWaalsContact CD1-C 3.46Å; L37-G59 VanDerWaalsContact CD1-O 3.31Å; L37-G59 WeakPolarHBondContact CD1-O 3.09Å; L37-V60 HydrophobicContact CB-CG2 4.38Å; L37-V60 HydrophobicContact CD2-CG2 4.13Å |
| 38 | A | 84.1 | Confident | 81.2 | Confident | 59 Ų | 59 | 70 Ų | 70 | 49% | 0.488 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E34 L35 Q36 L40 K41 N42 | E34-A38 WeakPolarHBondContact O-CB 3.37Å; E34-A38 PolarHBondContact O-N 3.03Å; L35-A38 PolarHBondContact O-N 2.86Å; Q36-A38 VanDerWaalsContact C-N 3.31Å; Q36-A38 PolarHBondContact O-N 2.86Å; A38-L40 VanDerWaalsContact C-N 3.34Å; A38-L40 PolarHBondContact O-N 3.32Å; A38-K41 PolarHBondContact O-N 3.33Å; A38-K41 VanDerWaalsContact O-N 3.14Å; A38-N42 PolarHBondContact O-N 3.02Å |
| 39 | L | 84.4 | Confident | 81 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 20% | 0.199 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.6 | -68.3 | 171.2 | 0 | 0 | 0 | 111.8 | L35 Q36 K41 N42 H83 | L35-L39 HydrophobicContact CD2-CD1 4.24Å; L35-L39 WeakPolarHBondContact O-CG 3.3Å; L35-L39 PolarHBondContact O-N 2.93Å; L35-L39 VanDerWaalsContact O-N 3.09Å; Q36-L39 PolarHBondContact O-N 3.22Å; L39-K41 PolarHBondContact O-N 2.93Å; L39-N42 WeakPolarHBondContact O-CB 3.29Å; L39-N42 PolarHBondContact O-N 3.1Å; L39-H83 HydrophobicContact CD1-CB 3.84Å |
| 40 | L | 78.6 | Confident | 80.8 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.8 | -13 | 177.2 | -62.9 | 175.9 | 0 | 0 | 0 | 113.8 | I29 P31 Q36 L37 A38 V57 V64 L80 L85 | I29-L40 HydrophobicContact CB-CD1 4.33Å; I29-L40 HydrophobicContact CD1-CD2 3.94Å; I29-L40 HydrophobicContact CG2-CD1 3.77Å; I29-L40 HydrophobicContact CG2-CD2 4.13Å; P31-L40 HydrophobicContact CB-CD1 4.05Å; P31-L40 HydrophobicContact CG-CD1 4.1Å; Q36-L40 WeakPolarHBondContact O-CG 3.49Å; Q36-L40 PolarHBondContact O-N 3.17Å; L37-L40 PolarHBondContact O-N 2.67Å; A38-L40 VanDerWaalsContact C-N 3.34Å; A38-L40 PolarHBondContact O-N 3.32Å; L40-V57 HydrophobicContact CB-CG2 4.15Å; L40-V64 HydrophobicContact CD1-CB 4.35Å; L40-V64 HydrophobicContact CD1-CG2 3.98Å; L40-L80 HydrophobicContact CD2-CD2 4.31Å; L40-L85 HydrophobicContact CD1-CD2 4.14Å; L40-L85 HydrophobicContact CD2-CD1 4.1Å; L40-L85 HydrophobicContact CG-CD1 4.42Å; L40-L85 HydrophobicContact CG-CD2 4.31Å |
| 41 | K | 74.6 | Confident | 80.7 | Confident | 110 Ų | 110 | 71 Ų | 71 | 48% | 0.478 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.6 | 173.9 | -73.5 | 177.3 | -179.5 | 178.2 | 0 | 113 | L37 A38 L39 Q43 V57 | L37-K41 WeakPolarHBondContact O-CG 3.48Å; L37-K41 PolarHBondContact O-N 2.8Å; A38-K41 PolarHBondContact O-N 3.33Å; A38-K41 VanDerWaalsContact O-N 3.14Å; L39-K41 PolarHBondContact O-N 2.93Å; K41-Q43 PolarHBondContact O-N 2.52Å; K41-V57 HydrophobicContact CD-CG1 4.25Å; K41-V57 VanDerWaalsContact CE-CG1 3.41Å; K41-V57 HydrophobicContact CG-CB 3.89Å; K41-V57 HydrophobicContact CG-CG1 3.89Å; K41-V57 HydrophobicContact CG-CG2 4.01Å |
| 42 | N | 79.4 | Confident | 80.6 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | trans | -71 | 118.1 | -174.9 | -170.7 | -7.8 | 0 | 0 | 0 | 110.8 | A38 L39 E44 E45 I46 | A38-N42 PolarHBondContact O-N 3.02Å; L39-N42 WeakPolarHBondContact O-CB 3.29Å; L39-N42 PolarHBondContact O-N 3.1Å; N42-E44 VanDerWaalsContact C-N 3.32Å; N42-E44 PolarHBondContact O-N 3.12Å; N42-E44 PolarHBondContact OD1-N 3.44Å; N42-E45 HydrophobicContact CB-CB 4.3Å; N42-E45 HydrophobicContact CB-CG 3.77Å; N42-E45 PolarHBondContact O-N 2.68Å; N42-I46 WeakPolarHBondContact O-CG1 3.4Å; N42-I46 PolarHBondContact O-N 2.71Å | ||
| 43 | Q | 57.6 | Low | 80.3 | Confident | 155 Ų | 155 | 71 Ų | 71 | 72% | 0.724 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -69.6 | -29.1 | -178.8 | -71 | -171 | -21.1 | 0 | 0 | 112.9 | K41 E45 I46 V47 | K41-Q43 PolarHBondContact O-N 2.52Å; Q43-E45 VanDerWaalsContact C-N 3.32Å; Q43-I46 PolarHBondContact O-N 3.01Å; Q43-V47 VanDerWaalsContact O-CG2 3.29Å; Q43-V47 WeakPolarHBondContact O-CG2 3.3Å; Q43-V47 PolarHBondContact O-N 3.34Å; Q43-V47 VanDerWaalsContact O-N 3.07Å |
| 44 | E | 61.5 | Low | 79.8 | Confident | 148 Ų | 148 | 72.8 Ų | 72.8 | 69% | 0.692 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 177.4 | -67 | -179.1 | 168.5 | 0 | 0 | 110.4 | N42 V47 E48 | N42-E44 VanDerWaalsContact C-N 3.32Å; N42-E44 PolarHBondContact O-N 3.12Å; N42-E44 PolarHBondContact OD1-N 3.44Å; E44-V47 PolarHBondContact O-N 2.79Å; E44-E48 VanDerWaalsContact O-CB 3.31Å; E44-E48 WeakPolarHBondContact O-CB 3.38Å; E44-E48 PolarHBondContact O-N 3.19Å |
| 45 | E | 72.8 | Confident | 79.4 | Confident | 37 Ų | 37 | 70.3 Ų | 70.3 | 17% | 0.173 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.3 | -38.5 | 177.4 | -55.7 | -64.5 | 161.4 | 0 | 0 | 112.3 | N42 Q43 V47 E48 F49 | N42-E45 HydrophobicContact CB-CB 4.3Å; N42-E45 HydrophobicContact CB-CG 3.77Å; N42-E45 PolarHBondContact O-N 2.68Å; Q43-E45 VanDerWaalsContact C-N 3.32Å; E45-V47 VanDerWaalsContact C-N 3.26Å; E45-V47 PolarHBondContact O-N 3.23Å; E45-E48 PolarHBondContact O-N 3.11Å; E45-F49 HydrophobicContact CB-CD2 4.41Å; E45-F49 VanDerWaalsContact O-CD2 3.28Å; E45-F49 WeakPolarHBondContact O-CD2 3.39Å; E45-F49 PolarHBondContact O-N 2.86Å; E45-F49 WeakPolarHBondContact OE2-CE2 3.24Å |
| 46 | I | 71.3 | Confident | 78.5 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -39 | 175.4 | -69.1 | 168.7 | 0 | 0 | 0 | 110.4 | N42 Q43 E50 L51 V53 | N42-I46 WeakPolarHBondContact O-CG1 3.4Å; N42-I46 PolarHBondContact O-N 2.71Å; Q43-I46 PolarHBondContact O-N 3.01Å; I46-E50 WeakPolarHBondContact O-CA 3.25Å; I46-E50 PolarHBondContact O-N 3.07Å; I46-L51 HydrophobicContact CG1-CD1 4.45Å; I46-L51 HydrophobicContact CG2-CB 4.36Å; I46-L51 PolarHBondContact O-N 2.75Å; I46-V53 HydrophobicContact CD1-CG2 4.41Å |
| 47 | V | 75.5 | Confident | 77.7 | Confident | 112 Ų | 112 | 67.5 Ų | 67.5 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -75.3 | -41.9 | 177.3 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | Q43 E44 E45 E50 | Q43-V47 VanDerWaalsContact O-CG2 3.29Å; Q43-V47 WeakPolarHBondContact O-CG2 3.3Å; Q43-V47 PolarHBondContact O-N 3.34Å; Q43-V47 VanDerWaalsContact O-N 3.07Å; E44-V47 PolarHBondContact O-N 2.79Å; E45-V47 VanDerWaalsContact C-N 3.26Å; E45-V47 PolarHBondContact O-N 3.23Å; V47-E50 PolarHBondContact O-N 3.31Å |
| 48 | E | 83.9 | Confident | 77 | Confident | 128 Ų | 128 | 72.4 Ų | 72.4 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | -178.9 | 179.8 | 169.9 | 176.2 | 0 | 0 | 112.5 | E44 E45 | E44-E48 VanDerWaalsContact O-CB 3.31Å; E44-E48 WeakPolarHBondContact O-CB 3.38Å; E44-E48 PolarHBondContact O-N 3.19Å; E45-E48 PolarHBondContact O-N 3.11Å |
| 49 | F | 86 | Confident | 76.5 | Confident | 15 Ų | 15 | 70.3 Ų | 70.3 | 7% | 0.066 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.3 | -179.4 | -62.6 | -64.7 | 0 | 0 | 0 | 113.9 | E45 L51 T72 F76 Y79 | E45-F49 HydrophobicContact CB-CD2 4.41Å; E45-F49 VanDerWaalsContact O-CD2 3.28Å; E45-F49 WeakPolarHBondContact O-CD2 3.39Å; E45-F49 PolarHBondContact O-N 2.86Å; E45-F49 WeakPolarHBondContact OE2-CE2 3.24Å; F49-L51 VanDerWaalsContact C-N 3.28Å; F49-L51 HydrophobicContact CB-CD1 4.34Å; F49-L51 HydrophobicContact CB-CD2 3.67Å; F49-L51 HydrophobicContact CB-CG 3.76Å; F49-L51 PolarHBondContact O-N 3.28Å; F49-T72 PolarHBondContact O-OG1 3.36Å; F49-F76 HydrophobicContact CB-CB 4.46Å; F49-F76 HydrophobicContact CB-CD2 4.07Å; F49-F76 HydrophobicContact CB-CG 4.45Å; F49-F76 HydrophobicContact CD1-CB 3.92Å; F49-F76 HydrophobicContact CD1-CD2 4.22Å; F49-F76 AromaticContact CD2-CD2 3.51Å; F49-F76 HydrophobicContact CD2-CD2 3.51Å; F49-F76 HydrophobicContact CD2-CE2 4.09Å; F49-F76 HydrophobicContact CE1-CB 4.34Å; F49-F76 AromaticContact CE2-CD2 3.92Å; F49-F76 HydrophobicContact CE2-CD2 3.92Å; F49-F76 HydrophobicContact CG-CB 4.12Å; F49-F76 AromaticContact CG-CD2 3.67Å; F49-F76 HydrophobicContact CG-CD2 3.67Å; F49-F76 HydrophobicContact CG-CG 4.26Å; F49-F76 HydrophobicContact CZ-CD2 4.46Å; F49-Y79 HydrophobicContact CE2-CD1 4.11Å; F49-Y79 HydrophobicContact CE2-CD2 4.12Å; F49-Y79 AromaticContact CE2-CG 3.86Å; F49-Y79 HydrophobicContact CE2-CG 3.86Å; F49-Y79 HydrophobicContact CZ-CD2 4.21Å; F49-Y79 AromaticContact CZ-CG 3.96Å; F49-Y79 HydrophobicContact CZ-CG 3.96Å |
| 50 | E | 87 | Confident | 76.5 | Confident | 111 Ų | 111 | 70.3 Ų | 70.3 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 43.3 | -177.2 | -59.4 | -175.4 | -179.6 | 0 | 0 | 112.8 | I46 V47 P69 H71 | I46-E50 WeakPolarHBondContact O-CA 3.25Å; I46-E50 PolarHBondContact O-N 3.07Å; V47-E50 PolarHBondContact O-N 3.31Å; E50-P69 HydrophobicContact CB-CG 3.99Å; E50-P69 WeakPolarHBondContact O-CD 3.4Å; E50-H71 IonicContact OE1-NE2 3.76Å; E50-H71 IonicContact OE2-CE1 2.9Å; E50-H71 PolarHBondContact OE2-CE1 3.45Å; E50-H71 VanDerWaalsContact OE2-CE1 3.26Å; E50-H71 IonicContact OE2-NE2 3.76Å; E50-H71 PolarHBondContact OE2-NE2 3.33Å |
| 51 | L | 85.5 | Confident | 76.6 | Confident | 23 Ų | 23 | 73.2 Ų | 73.2 | 12% | 0.12 | 39% | 0.388 | C | S | . | . | trans | -74.5 | 135.6 | -175 | -54.6 | 178.9 | 0 | 0 | 0 | 111.5 | I46 F49 V68 F76 | I46-L51 HydrophobicContact CG1-CD1 4.45Å; I46-L51 HydrophobicContact CG2-CB 4.36Å; I46-L51 PolarHBondContact O-N 2.75Å; F49-L51 VanDerWaalsContact C-N 3.28Å; F49-L51 HydrophobicContact CB-CD1 4.34Å; F49-L51 HydrophobicContact CB-CD2 3.67Å; F49-L51 HydrophobicContact CB-CG 3.76Å; F49-L51 PolarHBondContact O-N 3.28Å; L51-V68 HydrophobicContact CD2-CB 4.37Å; L51-V68 HydrophobicContact CD2-CG1 4Å; L51-V68 HydrophobicContact CD2-CG2 3.94Å; L51-F76 HydrophobicContact CD1-CD2 4.25Å; L51-F76 HydrophobicContact CD1-CE1 4.37Å; L51-F76 HydrophobicContact CD1-CE2 3.53Å; L51-F76 HydrophobicContact CD1-CZ 3.59Å; L51-F76 HydrophobicContact CD2-CD1 4.05Å; L51-F76 HydrophobicContact CD2-CD2 4.16Å; L51-F76 HydrophobicContact CD2-CE1 3.95Å; L51-F76 HydrophobicContact CD2-CE2 4.1Å; L51-F76 HydrophobicContact CD2-CG 4.13Å; L51-F76 HydrophobicContact CD2-CZ 3.97Å; L51-F76 HydrophobicContact CG-CE2 4.41Å; L51-F76 HydrophobicContact CG-CZ 4.46Å | ||
| 52 | D | 85.5 | Confident | 76.8 | Confident | 47 Ų | 47 | 74.9 Ų | 74.9 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 106.7 | 169.7 | 167.6 | 28.1 | 0 | 0 | 0 | 109.7 | W54 V66 R67 | D52-W54 VanDerWaalsContact O-CD1 3.24Å; D52-W54 PolarHBondContact O-N 3.25Å; D52-W54 PolarHBondContact OD2-NE1 3.23Å; D52-V66 WeakPolarHBondContact O-CA 3.31Å; D52-R67 HydrophobicContact CB-CB 4.14Å; D52-R67 PolarHBondContact N-O 3.27Å; D52-R67 PolarHBondContact O-N 2.54Å; D52-R67 IonicContact OD2-CZ 3.65Å; D52-R67 IonicContact OD2-NE 2.7Å; D52-R67 PolarHBondContact OD2-NE 3.47Å; D52-R67 IonicContact OD2-NH2 3.48Å; D52-R67 PolarHBondContact OD2-NH2 3.47Å; D52-R67 VanDerWaalsContact OD2-NH2 3.12Å |
| 53 | V | 84.3 | Confident | 77.1 | Confident | 46 Ų | 46 | 74 Ų | 74 | 28% | 0.279 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 113.4 | -174.1 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | I46 M55 V66 R184 | I46-V53 HydrophobicContact CD1-CG2 4.41Å; V53-M55 WeakPolarHBondContact CG1-O 3.1Å; V53-V66 HydrophobicContact CG1-CG1 4.45Å; V53-V66 HydrophobicContact CG2-CG1 4.1Å; V53-R184 PolarHBondContact O-NH1 3.13Å |
| 54 | W | 79.1 | Confident | 78.4 | Confident | 108 Ų | 108 | 66.8 Ų | 66.8 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -42.6 | -179.9 | -73.2 | 19.6 | 0 | 0 | 0 | 111.3 | V26 D52 D65 R67 I91 | V26-W54 HydrophobicContact CG1-CE3 4.12Å; V26-W54 HydrophobicContact CG1-CZ3 4.45Å; V26-W54 HydrophobicContact CG2-CD2 4.33Å; V26-W54 HydrophobicContact CG2-CE3 4.03Å; V26-W54 HydrophobicContact CG2-CH2 3.67Å; V26-W54 HydrophobicContact CG2-CZ2 3.98Å; V26-W54 HydrophobicContact CG2-CZ3 3.7Å; D52-W54 VanDerWaalsContact O-CD1 3.24Å; D52-W54 PolarHBondContact O-N 3.25Å; D52-W54 PolarHBondContact OD2-NE1 3.23Å; W54-D65 HydrophobicContact CB-CB 4.23Å; W54-D65 PolarHBondContact N-O 2.93Å; W54-R67 HydrophobicContact CZ2-CB 4.2Å; W54-I91 HydrophobicContact CH2-CD1 4.18Å; W54-I91 HydrophobicContact CZ3-CD1 3.87Å |
| 55 | M | 76.6 | Confident | 79.7 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 39% | 0.394 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 113.2 | 172 | -170.1 | 176.7 | -58.7 | 0 | 0 | 109.2 | V53 P63 V64 D65 | V53-M55 WeakPolarHBondContact CG1-O 3.1Å; M55-P63 HydrophobicContact SD-CG 4.03Å; M55-V64 WeakPolarHBondContact O-CG1 3.4Å; M55-D65 HydrophobicContact CB-CB 3.81Å; M55-D65 PolarHBondContact N-O 3.41Å; M55-D65 VanDerWaalsContact N-O 3.11Å; M55-D65 PolarHBondContact O-N 2.96Å |
| 56 | G | 70.9 | Confident | 80.5 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | trans | -72 | 165.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T58 | G56-T58 PolarHBondContact O-N 3.48Å; G56-T58 VanDerWaalsContact O-N 3.16Å | ||
| 57 | V | 71.1 | Confident | 81.5 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | trans | -77.1 | 100.1 | -174.3 | -169 | 0 | 0 | 0 | 0 | 111.5 | L37 L40 K41 V64 | L37-V57 HydrophobicContact CD1-CG1 3.05Å; L37-V57 HydrophobicContact CD2-CG1 4.41Å; L37-V57 HydrophobicContact CG-CG1 3.56Å; L40-V57 HydrophobicContact CB-CG2 4.15Å; K41-V57 HydrophobicContact CD-CG1 4.25Å; K41-V57 VanDerWaalsContact CE-CG1 3.41Å; K41-V57 HydrophobicContact CG-CB 3.89Å; K41-V57 HydrophobicContact CG-CG1 3.89Å; K41-V57 HydrophobicContact CG-CG2 4.01Å; V57-V64 HydrophobicContact CB-CG2 4.34Å; V57-V64 HydrophobicContact CG1-CG2 4.31Å; V57-V64 HydrophobicContact CG2-CG1 4.05Å; V57-V64 HydrophobicContact CG2-CG2 3.88Å | ||
| 58 | T | 68.1 | Low | 82.2 | Confident | 107 Ų | 107 | 52.8 Ų | 52.8 | 66% | 0.656 | 28% | 0.281 | S | S | * | . | trans | -95.4 | -24.3 | -175.2 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | G56 Y62 | G56-T58 PolarHBondContact O-N 3.48Å; G56-T58 VanDerWaalsContact O-N 3.16Å; T58-Y62 WeakPolarHBondContact OG1-CB 3.3Å | ||
| 59 | G | 73.3 | Confident | 82.6 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 16% | 0.155 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 169.5 | 173.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L37 Y62 | L37-G59 VanDerWaalsContact CD1-C 3.46Å; L37-G59 VanDerWaalsContact CD1-O 3.31Å; L37-G59 WeakPolarHBondContact CD1-O 3.09Å; G59-Y62 PolarHBondContact O-N 2.93Å |
| 60 | V | 83.6 | Confident | 82.9 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 142.7 | 172.9 | 178.7 | 0 | 0 | 0 | 0 | 110 | K32 E34 L37 Y62 | K32-V60 VanDerWaalsContact C-CG1 3.42Å; K32-V60 VanDerWaalsContact O-CG1 3.31Å; K32-V60 WeakPolarHBondContact O-CG1 3.45Å; E34-V60 HydrophobicContact CG-CG2 3.99Å; E34-V60 WeakPolarHBondContact OE1-CG2 3.42Å; L37-V60 HydrophobicContact CB-CG2 4.38Å; L37-V60 HydrophobicContact CD2-CG2 4.13Å; V60-Y62 VanDerWaalsContact O-CD2 3.31Å; V60-Y62 WeakPolarHBondContact O-CD2 3.3Å; V60-Y62 PolarHBondContact O-N 3.45Å |
| 61 | S | 80.9 | Confident | 83.2 | Confident | 83 Ų | 83 | 49.8 Ų | 49.8 | 58% | 0.58 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 3.6 | -176.4 | -52 | 0 | 0 | 0 | 0 | 115.8 | P31 | P31-S61 WeakPolarHBondContact O-CA 3.16Å; P31-S61 PolarHBondContact O-N 3.05Å |
| 62 | Y | 79.7 | Confident | 83.6 | Confident | 144 Ų | 144 | 49.4 Ų | 49.4 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -92.6 | 136.6 | 169.6 | -69.1 | -87.8 | 0 | 0 | 0 | 110.3 | P31 T58 G59 V60 | P31-Y62 VanDerWaalsContact CD-O 3.31Å; P31-Y62 WeakPolarHBondContact CD-O 2.89Å; T58-Y62 WeakPolarHBondContact OG1-CB 3.3Å; G59-Y62 PolarHBondContact O-N 2.93Å; V60-Y62 VanDerWaalsContact O-CD2 3.31Å; V60-Y62 WeakPolarHBondContact O-CD2 3.3Å; V60-Y62 PolarHBondContact O-N 3.45Å |
| 63 | P | 85 | Confident | 83.9 | Confident | 36 Ų | 36 | 47.8 Ų | 47.8 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | trans | -66.5 | 145.6 | -178.2 | 27.5 | -33.8 | 0 | 0 | 0 | 111.9 | R28 I29 V30 M55 | R28-P63 HydrophobicContact CG-CB 3.92Å; I29-P63 WeakPolarHBondContact O-CA 3.49Å; V30-P63 HydrophobicContact CG2-CB 4.36Å; M55-P63 HydrophobicContact SD-CG 4.03Å | ||
| 64 | V | 85.4 | Confident | 84.4 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.6 | 171.2 | -175.6 | 0 | 0 | 0 | 0 | 107 | R28 I29 L40 M55 V57 V66 | R28-V64 CarbonylContact C-O 3.6Å; R28-V64 WeakPolarHBondContact CA-O 3.46Å; I29-V64 PolarHBondContact N-O 3.39Å; I29-V64 PolarHBondContact O-N 2.72Å; L40-V64 HydrophobicContact CD1-CB 4.35Å; L40-V64 HydrophobicContact CD1-CG2 3.98Å; M55-V64 WeakPolarHBondContact O-CG1 3.4Å; V57-V64 HydrophobicContact CB-CG2 4.34Å; V57-V64 HydrophobicContact CG1-CG2 4.31Å; V57-V64 HydrophobicContact CG2-CG1 4.05Å; V57-V64 HydrophobicContact CG2-CG2 3.88Å; V64-V66 HydrophobicContact CG1-CG1 4.08Å |
| 65 | D | 88.2 | Confident | 85.1 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123.6 | -179.4 | -64.3 | -20.3 | 0 | 0 | 0 | 108.8 | V26 L27 R28 W54 M55 | V26-D65 HydrophobicContact CG1-CB 4.44Å; L27-D65 WeakPolarHBondContact O-CA 3.34Å; R28-D65 WeakPolarHBondContact CA-OD1 3.41Å; R28-D65 VanDerWaalsContact CB-OD1 3.25Å; R28-D65 WeakPolarHBondContact CB-OD1 3.11Å; R28-D65 WeakPolarHBondContact CG-OD1 3.37Å; R28-D65 IonicContact CZ-OD1 2.72Å; R28-D65 IonicContact CZ-OD2 3.88Å; R28-D65 IonicContact NE-OD1 2.91Å; R28-D65 PolarHBondContact NE-OD1 3.28Å; R28-D65 IonicContact NE-OD2 2.96Å; R28-D65 IonicContact NH2-OD1 3.24Å; R28-D65 PolarHBondContact NH2-OD1 3.15Å; R28-D65 IonicContact NH2-OD2 3.44Å; R28-D65 PolarHBondContact NH2-OD2 3.48Å; W54-D65 HydrophobicContact CB-CB 4.23Å; W54-D65 PolarHBondContact N-O 2.93Å; M55-D65 HydrophobicContact CB-CB 3.81Å; M55-D65 PolarHBondContact N-O 3.41Å; M55-D65 VanDerWaalsContact N-O 3.11Å; M55-D65 PolarHBondContact O-N 2.96Å |
| 66 | V | 88.9 | Confident | 85.9 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132 | -177.3 | -62.6 | 0 | 0 | 0 | 0 | 111 | V26 L27 I29 D52 V53 V64 V68 F76 | V26-V66 CarbonylContact C-O 3.54Å; V26-V66 WeakPolarHBondContact CA-O 3.35Å; L27-V66 HydrophobicContact CB-CG2 4.29Å; L27-V66 PolarHBondContact N-O 3.35Å; L27-V66 PolarHBondContact O-N 3.09Å; I29-V66 HydrophobicContact CD1-CG2 3.81Å; D52-V66 WeakPolarHBondContact O-CA 3.31Å; V53-V66 HydrophobicContact CG1-CG1 4.45Å; V53-V66 HydrophobicContact CG2-CG1 4.1Å; V64-V66 HydrophobicContact CG1-CG1 4.08Å; V66-V68 HydrophobicContact CG2-CG2 4.01Å; V66-F76 HydrophobicContact CG2-CE1 3.81Å; V66-F76 HydrophobicContact CG2-CZ 4.2Å |
| 67 | R | 92.3 | Very high | 87 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.5 | 166.3 | 177.3 | -175.2 | 64.4 | 87.4 | 4.4 | 108.9 | H24 Q25 V26 D52 W54 V94 | H24-R67 HydrophobicContact CB-CG 4.18Å; H24-R67 PolarHBondContact CE1-NH1 3.1Å; H24-R67 PolarHBondContact ND1-NH1 3.14Å; Q25-R67 CarbonylContact O-C 3.53Å; Q25-R67 WeakPolarHBondContact O-CA 3.38Å; V26-R67 HydrophobicContact CG2-CB 4.17Å; D52-R67 HydrophobicContact CB-CB 4.14Å; D52-R67 PolarHBondContact N-O 3.27Å; D52-R67 PolarHBondContact O-N 2.54Å; D52-R67 IonicContact OD2-CZ 3.65Å; D52-R67 IonicContact OD2-NE 2.7Å; D52-R67 PolarHBondContact OD2-NE 3.47Å; D52-R67 IonicContact OD2-NH2 3.48Å; D52-R67 PolarHBondContact OD2-NH2 3.47Å; D52-R67 VanDerWaalsContact OD2-NH2 3.12Å; W54-R67 HydrophobicContact CZ2-CB 4.2Å; R67-V94 HydrophobicContact CG-CG2 4.36Å |
| 68 | V | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.1 | -176 | -165.1 | 0 | 0 | 0 | 0 | 109.4 | H24 Q25 L27 L51 V66 L73 F76 | H24-V68 WeakPolarHBondContact CA-O 3.47Å; Q25-V68 PolarHBondContact N-O 2.64Å; Q25-V68 VanDerWaalsContact N-O 3.14Å; Q25-V68 PolarHBondContact O-N 2.67Å; L27-V68 HydrophobicContact CD1-CG2 4.04Å; L27-V68 HydrophobicContact CG-CG2 4.08Å; L51-V68 HydrophobicContact CD2-CB 4.37Å; L51-V68 HydrophobicContact CD2-CG1 4Å; L51-V68 HydrophobicContact CD2-CG2 3.94Å; V66-V68 HydrophobicContact CG2-CG2 4.01Å; V68-L73 HydrophobicContact CB-CD1 3.95Å; V68-L73 HydrophobicContact CG1-CB 4.37Å; V68-L73 HydrophobicContact CG1-CD1 4.09Å; V68-F76 HydrophobicContact CB-CD1 4.46Å; V68-F76 HydrophobicContact CG1-CB 4.09Å; V68-F76 HydrophobicContact CG1-CD1 3.93Å; V68-F76 HydrophobicContact CG1-CG 4.28Å; V68-F76 HydrophobicContact CG2-CD1 3.66Å; V68-F76 HydrophobicContact CG2-CE1 3.84Å |
| 69 | P | 91.6 | Very high | 89.3 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | trans | -62.1 | 148.1 | 173.4 | -24.2 | 35 | 0 | 0 | 0 | 113.8 | H24 E50 H71 T72 L73 | H24-P69 WeakPolarHBondContact ND1-CA 3.46Å; E50-P69 HydrophobicContact CB-CG 3.99Å; E50-P69 WeakPolarHBondContact O-CD 3.4Å; P69-H71 VanDerWaalsContact CB-CE1 3.42Å; P69-H71 WeakPolarHBondContact CB-CE1 3.33Å; P69-H71 WeakPolarHBondContact CB-ND1 3.48Å; P69-H71 PolarHBondContact O-N 3.13Å; P69-H71 VanDerWaalsContact O-N 3.15Å; P69-T72 WeakPolarHBondContact CD-OG1 3.4Å; P69-T72 PolarHBondContact O-N 3.13Å; P69-T72 VanDerWaalsContact O-N 3.15Å; P69-T72 PolarHBondContact O-OG1 2.87Å; P69-L73 WeakPolarHBondContact O-CB 3.37Å; P69-L73 PolarHBondContact O-N 2.85Å | ||
| 70 | P | 92.8 | Very high | 90.2 | Very high | 63 Ų | 63 | 42.4 Ų | 42.4 | 41% | 0.409 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.1 | -177.2 | 23.7 | -35.1 | 0 | 0 | 0 | 113.1 | H24 | H24-P70 WeakPolarHBondContact CD2-CD 3.38Å; H24-P70 WeakPolarHBondContact NE2-CD 3.38Å |
| 71 | H | 92.2 | Very high | 90.6 | Very high | 124 Ų | 124 | 45.6 Ų | 45.6 | 57% | 0.574 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -20.5 | -177.3 | 70 | -87.1 | 0 | 0 | 0 | 113.5 | E50 P69 | E50-H71 IonicContact OE1-NE2 3.76Å; E50-H71 IonicContact OE2-CE1 2.9Å; E50-H71 PolarHBondContact OE2-CE1 3.45Å; E50-H71 VanDerWaalsContact OE2-CE1 3.26Å; E50-H71 IonicContact OE2-NE2 3.76Å; E50-H71 PolarHBondContact OE2-NE2 3.33Å; P69-H71 VanDerWaalsContact CB-CE1 3.42Å; P69-H71 WeakPolarHBondContact CB-CE1 3.33Å; P69-H71 WeakPolarHBondContact CB-ND1 3.48Å; P69-H71 PolarHBondContact O-N 3.13Å; P69-H71 VanDerWaalsContact O-N 3.15Å |
| 72 | T | 94.1 | Very high | 91.2 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -11.1 | 173.7 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | F49 P69 E74 S75 F76 | F49-T72 PolarHBondContact O-OG1 3.36Å; P69-T72 WeakPolarHBondContact CD-OG1 3.4Å; P69-T72 PolarHBondContact O-N 3.13Å; P69-T72 VanDerWaalsContact O-N 3.15Å; P69-T72 PolarHBondContact O-OG1 2.87Å; T72-E74 PolarHBondContact O-N 2.88Å; T72-S75 PolarHBondContact O-N 3.27Å; T72-F76 WeakPolarHBondContact O-CB 3.17Å; T72-F76 PolarHBondContact O-N 2.89Å |
| 73 | L | 92.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.068 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -51.9 | -52.1 | -172 | -178.4 | 64.2 | 0 | 0 | 0 | 114.3 | Q25 L27 V68 P69 F76 K77 | Q25-L73 HydrophobicContact CB-CD1 3.93Å; Q25-L73 HydrophobicContact CB-CD2 4.36Å; Q25-L73 HydrophobicContact CG-CD1 4.23Å; Q25-L73 HydrophobicContact CG-CD2 3.75Å; L27-L73 HydrophobicContact CD1-CD1 4.32Å; V68-L73 HydrophobicContact CB-CD1 3.95Å; V68-L73 HydrophobicContact CG1-CB 4.37Å; V68-L73 HydrophobicContact CG1-CD1 4.09Å; P69-L73 WeakPolarHBondContact O-CB 3.37Å; P69-L73 PolarHBondContact O-N 2.85Å; L73-F76 PolarHBondContact O-N 3.36Å; L73-K77 HydrophobicContact CG-CD 4.43Å; L73-K77 WeakPolarHBondContact O-CG 3.47Å; L73-K77 PolarHBondContact O-N 3.47Å |
| 74 | E | 94.2 | Very high | 92 | Very high | 117 Ų | 117 | 45.7 Ų | 45.7 | 55% | 0.547 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -72.9 | -34.4 | -176.1 | -65.9 | -57.3 | 123.7 | 0 | 0 | 112.3 | T72 F76 K77 S78 | T72-E74 PolarHBondContact O-N 2.88Å; E74-F76 VanDerWaalsContact C-N 3.35Å; E74-K77 IonicContact OE1-NZ 2.64Å; E74-K77 PolarHBondContact OE1-NZ 3.43Å; E74-S78 WeakPolarHBondContact O-CB 3.46Å; E74-S78 PolarHBondContact O-N 3.49Å; E74-S78 PolarHBondContact O-OG 3.4Å |
| 75 | S | 93.3 | Very high | 92.3 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 172.6 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | T72 S78 Y79 | T72-S75 PolarHBondContact O-N 3.27Å; S75-S78 WeakPolarHBondContact O-CB 3.5Å; S75-S78 PolarHBondContact O-N 2.86Å; S75-Y79 PolarHBondContact O-N 3.26Å |
| 76 | F | 94.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 177.8 | -176.4 | -119.4 | 0 | 0 | 0 | 112 | L27 I29 F49 L51 V66 V68 T72 L73 E74 S78 Y79 L80 | L27-F76 HydrophobicContact CD1-CD1 4.06Å; L27-F76 HydrophobicContact CD1-CE1 4.2Å; I29-F76 HydrophobicContact CD1-CE1 4.07Å; I29-F76 HydrophobicContact CD1-CZ 3.93Å; F49-F76 HydrophobicContact CB-CB 4.46Å; F49-F76 HydrophobicContact CB-CD2 4.07Å; F49-F76 HydrophobicContact CB-CG 4.45Å; F49-F76 HydrophobicContact CD1-CB 3.92Å; F49-F76 HydrophobicContact CD1-CD2 4.22Å; F49-F76 AromaticContact CD2-CD2 3.51Å; F49-F76 HydrophobicContact CD2-CD2 3.51Å; F49-F76 HydrophobicContact CD2-CE2 4.09Å; F49-F76 HydrophobicContact CE1-CB 4.34Å; F49-F76 AromaticContact CE2-CD2 3.92Å; F49-F76 HydrophobicContact CE2-CD2 3.92Å; F49-F76 HydrophobicContact CG-CB 4.12Å; F49-F76 AromaticContact CG-CD2 3.67Å; F49-F76 HydrophobicContact CG-CD2 3.67Å; F49-F76 HydrophobicContact CG-CG 4.26Å; F49-F76 HydrophobicContact CZ-CD2 4.46Å; L51-F76 HydrophobicContact CD1-CD2 4.25Å; L51-F76 HydrophobicContact CD1-CE1 4.37Å; L51-F76 HydrophobicContact CD1-CE2 3.53Å; L51-F76 HydrophobicContact CD1-CZ 3.59Å; L51-F76 HydrophobicContact CD2-CD1 4.05Å; L51-F76 HydrophobicContact CD2-CD2 4.16Å; L51-F76 HydrophobicContact CD2-CE1 3.95Å; L51-F76 HydrophobicContact CD2-CE2 4.1Å; L51-F76 HydrophobicContact CD2-CG 4.13Å; L51-F76 HydrophobicContact CD2-CZ 3.97Å; L51-F76 HydrophobicContact CG-CE2 4.41Å; L51-F76 HydrophobicContact CG-CZ 4.46Å; V66-F76 HydrophobicContact CG2-CE1 3.81Å; V66-F76 HydrophobicContact CG2-CZ 4.2Å; V68-F76 HydrophobicContact CB-CD1 4.46Å; V68-F76 HydrophobicContact CG1-CB 4.09Å; V68-F76 HydrophobicContact CG1-CD1 3.93Å; V68-F76 HydrophobicContact CG1-CG 4.28Å; V68-F76 HydrophobicContact CG2-CD1 3.66Å; V68-F76 HydrophobicContact CG2-CE1 3.84Å; T72-F76 WeakPolarHBondContact O-CB 3.17Å; T72-F76 PolarHBondContact O-N 2.89Å; L73-F76 PolarHBondContact O-N 3.36Å; E74-F76 VanDerWaalsContact C-N 3.35Å; F76-S78 VanDerWaalsContact C-N 3.31Å; F76-S78 PolarHBondContact O-N 3.05Å; F76-Y79 HydrophobicContact CD2-CD1 4.19Å; F76-Y79 HydrophobicContact CE2-CD1 4.12Å; F76-Y79 WeakPolarHBondContact O-CB 3.46Å; F76-Y79 PolarHBondContact O-N 3.49Å; F76-Y79 VanDerWaalsContact O-N 3.13Å; F76-L80 HydrophobicContact CD1-CD1 4.1Å; F76-L80 HydrophobicContact CD1-CG 4.48Å; F76-L80 HydrophobicContact CE1-CD1 3.75Å; F76-L80 HydrophobicContact CE1-CD2 4.38Å; F76-L80 HydrophobicContact CE1-CG 4.2Å; F76-L80 HydrophobicContact CE2-CD2 4.13Å; F76-L80 HydrophobicContact CE2-CG 4.34Å; F76-L80 HydrophobicContact CZ-CD1 4.1Å; F76-L80 HydrophobicContact CZ-CD2 3.88Å; F76-L80 HydrophobicContact CZ-CG 4.12Å; F76-L80 WeakPolarHBondContact O-CG 3.36Å; F76-L80 PolarHBondContact O-N 2.83Å |
| 77 | K | 93.8 | Very high | 92.5 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 12% | 0.117 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 171.8 | -74.1 | 175.9 | -176.5 | 163.8 | 0 | 111.7 | L27 L73 E74 Y79 L80 D81 Y87 | L27-K77 HydrophobicContact CD1-CG 4.23Å; L73-K77 HydrophobicContact CG-CD 4.43Å; L73-K77 WeakPolarHBondContact O-CG 3.47Å; L73-K77 PolarHBondContact O-N 3.47Å; E74-K77 IonicContact OE1-NZ 2.64Å; E74-K77 PolarHBondContact OE1-NZ 3.43Å; K77-Y79 VanDerWaalsContact C-N 3.29Å; K77-Y79 PolarHBondContact O-N 3.29Å; K77-L80 WeakPolarHBondContact O-CB 3.42Å; K77-L80 PolarHBondContact O-N 3.03Å; K77-L80 VanDerWaalsContact O-N 3.15Å; K77-D81 VanDerWaalsContact O-CG 3.31Å; K77-D81 PolarHBondContact O-N 3.23Å; K77-Y87 HydrophobicContact CB-CE1 4.41Å; K77-Y87 WeakPolarHBondContact CB-OH 3.29Å; K77-Y87 HydrophobicContact CD-CE2 4.22Å; K77-Y87 HydrophobicContact CG-CE1 4.41Å; K77-Y87 HydrophobicContact CG-CE2 3.9Å; K77-Y87 WeakPolarHBondContact CG-OH 3.33Å |
| 78 | S | 93.7 | Very high | 92.6 | Very high | 71 Ų | 71 | 55 Ų | 55 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | E74 S75 F76 S82 | E74-S78 WeakPolarHBondContact O-CB 3.46Å; E74-S78 PolarHBondContact O-N 3.49Å; E74-S78 PolarHBondContact O-OG 3.4Å; S75-S78 WeakPolarHBondContact O-CB 3.5Å; S75-S78 PolarHBondContact O-N 2.86Å; F76-S78 VanDerWaalsContact C-N 3.31Å; F76-S78 PolarHBondContact O-N 3.05Å; S78-S82 WeakPolarHBondContact O-CB 3.46Å; S78-S82 PolarHBondContact O-N 3.41Å; S78-S82 PolarHBondContact O-OG 3.12Å |
| 79 | Y | 93.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 11% | 0.106 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 173.2 | 170.2 | -93.1 | 0 | 0 | 0 | 111.5 | F49 S75 F76 K77 S82 H83 | F49-Y79 HydrophobicContact CE2-CD1 4.11Å; F49-Y79 HydrophobicContact CE2-CD2 4.12Å; F49-Y79 AromaticContact CE2-CG 3.86Å; F49-Y79 HydrophobicContact CE2-CG 3.86Å; F49-Y79 HydrophobicContact CZ-CD2 4.21Å; F49-Y79 AromaticContact CZ-CG 3.96Å; F49-Y79 HydrophobicContact CZ-CG 3.96Å; S75-Y79 PolarHBondContact O-N 3.26Å; F76-Y79 HydrophobicContact CD2-CD1 4.19Å; F76-Y79 HydrophobicContact CE2-CD1 4.12Å; F76-Y79 WeakPolarHBondContact O-CB 3.46Å; F76-Y79 PolarHBondContact O-N 3.49Å; F76-Y79 VanDerWaalsContact O-N 3.13Å; K77-Y79 VanDerWaalsContact C-N 3.29Å; K77-Y79 PolarHBondContact O-N 3.29Å; Y79-S82 PolarHBondContact O-N 3.27Å; Y79-S82 PolarHBondContact O-OG 3.5Å; Y79-H83 AromaticContact CD2-CE1 3.61Å; Y79-H83 AromaticContact CD2-ND1 3.7Å; Y79-H83 AromaticContact CE2-CE1 3.31Å; Y79-H83 WeakPolarHBondContact CE2-CE1 3.45Å; Y79-H83 AromaticContact CE2-ND1 3.59Å; Y79-H83 AromaticContact CZ-CE1 3.96Å; Y79-H83 AromaticContact CZ-ND1 3.93Å; Y79-H83 PolarHBondContact O-N 3.22Å; Y79-H83 PolarHBondContact O-ND1 3.01Å |
| 80 | L | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 176.1 | -64.2 | 176.6 | 0 | 0 | 0 | 111.4 | L27 I29 L40 F76 K77 S82 H83 D84 L85 Y87 | L27-L80 HydrophobicContact CD1-CD1 4.28Å; I29-L80 HydrophobicContact CD1-CD1 3.89Å; I29-L80 HydrophobicContact CD1-CD2 3.85Å; I29-L80 HydrophobicContact CG1-CD1 4.06Å; I29-L80 HydrophobicContact CG1-CD2 4.45Å; I29-L80 HydrophobicContact CG2-CD2 4.43Å; L40-L80 HydrophobicContact CD2-CD2 4.31Å; F76-L80 HydrophobicContact CD1-CD1 4.1Å; F76-L80 HydrophobicContact CD1-CG 4.48Å; F76-L80 HydrophobicContact CE1-CD1 3.75Å; F76-L80 HydrophobicContact CE1-CD2 4.38Å; F76-L80 HydrophobicContact CE1-CG 4.2Å; F76-L80 HydrophobicContact CE2-CD2 4.13Å; F76-L80 HydrophobicContact CE2-CG 4.34Å; F76-L80 HydrophobicContact CZ-CD1 4.1Å; F76-L80 HydrophobicContact CZ-CD2 3.88Å; F76-L80 HydrophobicContact CZ-CG 4.12Å; F76-L80 WeakPolarHBondContact O-CG 3.36Å; F76-L80 PolarHBondContact O-N 2.83Å; K77-L80 WeakPolarHBondContact O-CB 3.42Å; K77-L80 PolarHBondContact O-N 3.03Å; K77-L80 VanDerWaalsContact O-N 3.15Å; L80-S82 VanDerWaalsContact C-N 3.33Å; L80-S82 PolarHBondContact O-N 3.04Å; L80-H83 CarbonylContact O-C 3.54Å; L80-H83 PolarHBondContact O-N 3.36Å; L80-H83 VanDerWaalsContact O-N 3.13Å; L80-D84 PolarHBondContact O-N 2.89Å; L80-L85 HydrophobicContact CB-CB 4.04Å; L80-L85 HydrophobicContact CD2-CB 3.86Å; L80-L85 HydrophobicContact CD2-CD1 3.65Å; L80-L85 HydrophobicContact CD2-CG 4.38Å; L80-L85 PolarHBondContact O-N 3.38Å; L80-Y87 HydrophobicContact CB-CD1 3.84Å; L80-Y87 HydrophobicContact CB-CE1 4.1Å; L80-Y87 HydrophobicContact CD1-CD1 3.55Å; L80-Y87 HydrophobicContact CD1-CE1 4.17Å; L80-Y87 HydrophobicContact CD1-CG 3.8Å; L80-Y87 HydrophobicContact CG-CD1 4.35Å |
| 81 | D | 93.1 | Very high | 92.4 | Very high | 104 Ų | 104 | 60.9 Ų | 60.9 | 56% | 0.556 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 177.9 | -70.5 | -25.1 | 0 | 0 | 0 | 111.7 | K77 H83 D84 | K77-D81 VanDerWaalsContact O-CG 3.31Å; K77-D81 PolarHBondContact O-N 3.23Å; D81-H83 PolarHBondContact O-N 2.89Å; D81-D84 PolarHBondContact O-N 2.72Å |
| 82 | S | 92.9 | Very high | 92.4 | Very high | 86 Ų | 86 | 62.3 Ų | 62.3 | 60% | 0.601 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.6 | -19.1 | 179.5 | 71.6 | 0 | 0 | 0 | 0 | 114 | S78 Y79 L80 | S78-S82 WeakPolarHBondContact O-CB 3.46Å; S78-S82 PolarHBondContact O-N 3.41Å; S78-S82 PolarHBondContact O-OG 3.12Å; Y79-S82 PolarHBondContact O-N 3.27Å; Y79-S82 PolarHBondContact O-OG 3.5Å; L80-S82 VanDerWaalsContact C-N 3.33Å; L80-S82 PolarHBondContact O-N 3.04Å |
| 83 | H | 90.7 | Very high | 92.1 | Very high | 72 Ų | 72 | 64.3 Ų | 64.3 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110 | 12.6 | 179 | -66.1 | 92.2 | 0 | 0 | 0 | 113.3 | Q36 L39 Y79 L80 D81 L85 | Q36-H83 PolarHBondContact NE2-O 2.94Å; L39-H83 HydrophobicContact CD1-CB 3.84Å; Y79-H83 AromaticContact CD2-CE1 3.61Å; Y79-H83 AromaticContact CD2-ND1 3.7Å; Y79-H83 AromaticContact CE2-CE1 3.31Å; Y79-H83 WeakPolarHBondContact CE2-CE1 3.45Å; Y79-H83 AromaticContact CE2-ND1 3.59Å; Y79-H83 AromaticContact CZ-CE1 3.96Å; Y79-H83 AromaticContact CZ-ND1 3.93Å; Y79-H83 PolarHBondContact O-N 3.22Å; Y79-H83 PolarHBondContact O-ND1 3.01Å; L80-H83 CarbonylContact O-C 3.54Å; L80-H83 PolarHBondContact O-N 3.36Å; L80-H83 VanDerWaalsContact O-N 3.13Å; D81-H83 PolarHBondContact O-N 2.89Å; H83-L85 HydrophobicContact CB-CD1 4.11Å; H83-L85 HydrophobicContact CB-CG 4.36Å; H83-L85 PolarHBondContact O-N 3.29Å |
| 84 | D | 91.4 | Very high | 91.9 | Very high | 107 Ų | 107 | 64.1 Ų | 64.1 | 57% | 0.572 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 31.9 | -179.2 | -167.4 | 43.3 | 0 | 0 | 0 | 113.1 | Q36 L80 D81 E86 | Q36-D84 PolarHBondContact NE2-O 3.24Å; L80-D84 PolarHBondContact O-N 2.89Å; D81-D84 PolarHBondContact O-N 2.72Å; D84-E86 PolarHBondContact O-N 3.4Å |
| 85 | L | 90.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | trans | -87.6 | 102.4 | 176.5 | -77.7 | 164.4 | 0 | 0 | 0 | 109.3 | I29 Q36 L40 L80 H83 | I29-L85 HydrophobicContact CG2-CB 4.21Å; I29-L85 HydrophobicContact CG2-CD2 4.07Å; Q36-L85 HydrophobicContact CB-CD2 3.6Å; Q36-L85 HydrophobicContact CG-CD2 3.72Å; Q36-L85 HydrophobicContact CG-CG 4.19Å; L40-L85 HydrophobicContact CD1-CD2 4.14Å; L40-L85 HydrophobicContact CD2-CD1 4.1Å; L40-L85 HydrophobicContact CG-CD1 4.42Å; L40-L85 HydrophobicContact CG-CD2 4.31Å; L80-L85 HydrophobicContact CB-CB 4.04Å; L80-L85 HydrophobicContact CD2-CB 3.86Å; L80-L85 HydrophobicContact CD2-CD1 3.65Å; L80-L85 HydrophobicContact CD2-CG 4.38Å; L80-L85 PolarHBondContact O-N 3.38Å; H83-L85 HydrophobicContact CB-CD1 4.11Å; H83-L85 HydrophobicContact CB-CG 4.36Å; H83-L85 PolarHBondContact O-N 3.29Å | ||
| 86 | E | 89.4 | Confident | 91.2 | Very high | 117 Ų | 117 | 57.6 Ų | 57.6 | 55% | 0.547 | 31% | 0.312 | S | S | . | . | trans | -65.7 | 135 | 174.2 | -75.1 | 178.4 | -171.3 | 0 | 0 | 111.2 | V30 K32 D84 | V30-E86 PolarHBondContact N-O 3.03Å; K32-E86 VanDerWaalsContact CE-CD 3.43Å; K32-E86 WeakPolarHBondContact CE-OE1 3.43Å; K32-E86 WeakPolarHBondContact CE-OE2 3.26Å; K32-E86 IonicContact NZ-OE1 2.69Å; K32-E86 PolarHBondContact NZ-OE1 2.87Å; K32-E86 IonicContact NZ-OE2 3.14Å; D84-E86 PolarHBondContact O-N 3.4Å | ||
| 87 | Y | 92.8 | Very high | 90.7 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 29% | 0.286 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 158.8 | 177.3 | 69.3 | -90.1 | 0 | 0 | 0 | 112.4 | L27 R28 K77 L80 | L27-Y87 HydrophobicContact CD1-CD2 4.12Å; L27-Y87 HydrophobicContact CD1-CE2 4.44Å; L27-Y87 HydrophobicContact CD2-CD2 4.27Å; R28-Y87 CarbonylContact O-C 3.59Å; R28-Y87 WeakPolarHBondContact O-CA 3.08Å; R28-Y87 WeakPolarHBondContact O-CB 3.48Å; K77-Y87 HydrophobicContact CB-CE1 4.41Å; K77-Y87 WeakPolarHBondContact CB-OH 3.29Å; K77-Y87 HydrophobicContact CD-CE2 4.22Å; K77-Y87 HydrophobicContact CG-CE1 4.41Å; K77-Y87 HydrophobicContact CG-CE2 3.9Å; K77-Y87 WeakPolarHBondContact CG-OH 3.33Å; L80-Y87 HydrophobicContact CB-CD1 3.84Å; L80-Y87 HydrophobicContact CB-CE1 4.1Å; L80-Y87 HydrophobicContact CD1-CD1 3.55Å; L80-Y87 HydrophobicContact CD1-CE1 4.17Å; L80-Y87 HydrophobicContact CD1-CG 3.8Å; L80-Y87 HydrophobicContact CG-CD1 4.35Å |
| 88 | S | 92.9 | Very high | 90.1 | Very high | 59 Ų | 59 | 61.7 Ų | 61.7 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.4 | 171.6 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | R28 M90 | R28-S88 PolarHBondContact N-O 2.87Å; R28-S88 PolarHBondContact O-N 2.8Å; S88-M90 PolarHBondContact O-N 3.21Å |
| 89 | T | 92.8 | Very high | 89.5 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 36% | 0.356 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.5 | 173.5 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | Q25 L27 I91 E92 | Q25-T89 HydrophobicContact CB-CG2 4.42Å; L27-T89 HydrophobicContact CD2-CG2 4.26Å; L27-T89 WeakPolarHBondContact CD2-OG1 3.21Å; T89-I91 WeakPolarHBondContact CG2-O 3.37Å; T89-E92 HydrophobicContact CG2-CG 4.06Å |
| 90 | M | 92 | Very high | 88.8 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -40.6 | 176.6 | -71.6 | -71.1 | -60.7 | 0 | 0 | 111.9 | V26 R28 S88 | V26-M90 HydrophobicContact CB-CB 4.38Å; V26-M90 HydrophobicContact CG1-CB 4.28Å; V26-M90 WeakPolarHBondContact O-CB 3.46Å; V26-M90 PolarHBondContact O-N 2.6Å; R28-M90 HydrophobicContact CB-CG 3.57Å; R28-M90 HydrophobicContact CB-SD 4.13Å; S88-M90 PolarHBondContact O-N 3.21Å |
| 91 | I | 88.6 | Confident | 87.9 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 121.4 | 178.9 | -57.4 | -179.9 | 0 | 0 | 0 | 107.5 | Q25 V26 W54 T89 V94 V97 | Q25-I91 CarbonylContact C-O 3.58Å; Q25-I91 VanDerWaalsContact CA-O 3.27Å; Q25-I91 WeakPolarHBondContact CA-O 3.36Å; V26-I91 HydrophobicContact CB-CB 3.94Å; V26-I91 HydrophobicContact CB-CD1 4.32Å; V26-I91 HydrophobicContact CB-CG1 4.14Å; V26-I91 HydrophobicContact CG2-CB 4.02Å; V26-I91 HydrophobicContact CG2-CD1 3.96Å; V26-I91 HydrophobicContact CG2-CG1 4.25Å; V26-I91 PolarHBondContact N-O 2.77Å; V26-I91 PolarHBondContact O-N 2.9Å; W54-I91 HydrophobicContact CH2-CD1 4.18Å; W54-I91 HydrophobicContact CZ3-CD1 3.87Å; T89-I91 WeakPolarHBondContact CG2-O 3.37Å; I91-V94 HydrophobicContact CG2-CG2 4.02Å; I91-V97 HydrophobicContact CG2-CG2 3.95Å |
| 92 | E | 90.4 | Very high | 87.1 | Confident | 154 Ų | 154 | 66.7 Ų | 66.7 | 72% | 0.72 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -80.5 | -29.2 | -178 | -65.8 | -172.8 | 168.8 | 0 | 0 | 113.4 | Q25 T89 | Q25-E92 WeakPolarHBondContact CG-O 3.27Å; Q25-E92 PolarHBondContact NE2-O 2.85Å; T89-E92 HydrophobicContact CG2-CG 4.06Å |
| 93 | D | 89.6 | Confident | 86.3 | Confident | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | trans | -149.5 | 107.6 | 175.3 | -175.4 | -0.6 | 0 | 0 | 0 | 110.1 | G23 H24 Q95 A96 | G23-D93 PolarHBondContact N-OD1 3.39Å; G23-D93 VanDerWaalsContact N-OD1 3.15Å; H24-D93 WeakPolarHBondContact O-CA 3.46Å; D93-Q95 VanDerWaalsContact C-N 3.27Å; D93-Q95 PolarHBondContact O-N 3.44Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.47Å; D93-Q95 PolarHBondContact OD1-N 2.94Å; D93-A96 HydrophobicContact CB-CB 4.02Å; D93-A96 PolarHBondContact O-N 2.83Å | ||
| 94 | V | 87 | Confident | 85.2 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -32.7 | 178.7 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | F21 H24 V26 R67 I91 V97 L98 | F21-V94 HydrophobicContact CB-CB 3.99Å; F21-V94 HydrophobicContact CB-CG1 3.84Å; F21-V94 HydrophobicContact CG-CG1 4.21Å; H24-V94 HydrophobicContact CB-CB 4.13Å; H24-V94 HydrophobicContact CB-CG2 4.12Å; H24-V94 WeakPolarHBondContact O-CG2 3.26Å; H24-V94 PolarHBondContact O-N 3.36Å; V26-V94 HydrophobicContact CG2-CG2 3.75Å; R67-V94 HydrophobicContact CG-CG2 4.36Å; I91-V94 HydrophobicContact CG2-CG2 4.02Å; V94-V97 PolarHBondContact O-N 3.47Å; V94-L98 HydrophobicContact CG1-CD1 3.98Å; V94-L98 HydrophobicContact CG1-CG 4.37Å; V94-L98 WeakPolarHBondContact O-CG 3.29Å; V94-L98 PolarHBondContact O-N 3.21Å; V94-L98 VanDerWaalsContact O-N 3.14Å |
| 95 | Q | 88.5 | Confident | 84.1 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 3% | 0.033 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.3 | -39 | 179.7 | -170.7 | 58 | 51.6 | 0 | 0 | 112 | F21 E22 D93 V97 L98 D99 | F21-Q95 HydrophobicContact CB-CB 4.47Å; F21-Q95 PolarHBondContact O-N 3.28Å; E22-Q95 HydrophobicContact CB-CB 4.45Å; E22-Q95 HydrophobicContact CG-CB 4.01Å; E22-Q95 HydrophobicContact CG-CG 3.72Å; D93-Q95 VanDerWaalsContact C-N 3.27Å; D93-Q95 PolarHBondContact O-N 3.44Å; D93-Q95 WeakPolarHBondContact OD1-CB 3.47Å; D93-Q95 PolarHBondContact OD1-N 2.94Å; Q95-V97 VanDerWaalsContact C-N 3.31Å; Q95-V97 PolarHBondContact O-N 3.15Å; Q95-L98 PolarHBondContact O-N 3.01Å; Q95-D99 VanDerWaalsContact NE2-CG 3.34Å; Q95-D99 PolarHBondContact NE2-OD1 2.56Å; Q95-D99 PolarHBondContact NE2-OD2 3.48Å; Q95-D99 WeakPolarHBondContact O-CB 3.07Å; Q95-D99 PolarHBondContact O-N 3.39Å |
| 96 | A | 85.3 | Confident | 83.1 | Confident | 44 Ų | 44 | 70.5 Ų | 70.5 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.3 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | D93 D99 M100 | D93-A96 HydrophobicContact CB-CB 4.02Å; D93-A96 PolarHBondContact O-N 2.83Å; A96-D99 PolarHBondContact O-N 2.75Å; A96-M100 WeakPolarHBondContact O-CG 3.48Å; A96-M100 PolarHBondContact O-N 2.95Å; A96-M100 VanDerWaalsContact O-N 3.09Å |
| 97 | V | 83.1 | Confident | 81.9 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 44% | 0.442 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 176.8 | -177.9 | 0 | 0 | 0 | 0 | 111 | I91 V94 Q95 D99 M100 E101 | I91-V97 HydrophobicContact CG2-CG2 3.95Å; V94-V97 PolarHBondContact O-N 3.47Å; Q95-V97 VanDerWaalsContact C-N 3.31Å; Q95-V97 PolarHBondContact O-N 3.15Å; V97-D99 VanDerWaalsContact C-N 3.32Å; V97-D99 PolarHBondContact O-N 2.85Å; V97-M100 PolarHBondContact O-N 3.37Å; V97-E101 PolarHBondContact O-N 2.91Å; V97-E101 VanDerWaalsContact O-N 3.08Å |
| 98 | L | 80.8 | Confident | 80.2 | Confident | 43 Ų | 43 | 65.5 Ų | 65.5 | 23% | 0.225 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.1 | -32.5 | 178.1 | -69.1 | 173.1 | 0 | 0 | 0 | 113 | F21 V94 Q95 R102 | F21-L98 HydrophobicContact CB-CD1 4.45Å; F21-L98 HydrophobicContact CD2-CD1 3.38Å; F21-L98 HydrophobicContact CE2-CD1 3.98Å; F21-L98 HydrophobicContact CG-CD1 4.22Å; V94-L98 HydrophobicContact CG1-CD1 3.98Å; V94-L98 HydrophobicContact CG1-CG 4.37Å; V94-L98 WeakPolarHBondContact O-CG 3.29Å; V94-L98 PolarHBondContact O-N 3.21Å; V94-L98 VanDerWaalsContact O-N 3.14Å; Q95-L98 PolarHBondContact O-N 3.01Å; L98-R102 WeakPolarHBondContact O-CB 3.43Å; L98-R102 VanDerWaalsContact O-CG 3.22Å; L98-R102 WeakPolarHBondContact O-CG 3.42Å; L98-R102 PolarHBondContact O-N 3.36Å |
| 99 | D | 81.3 | Confident | 78.5 | Confident | 72 Ų | 72 | 65.7 Ų | 65.7 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.3 | -38.4 | 177.1 | -73.1 | -20.6 | 0 | 0 | 0 | 111.7 | Q95 A96 V97 E101 R102 E103 | Q95-D99 VanDerWaalsContact NE2-CG 3.34Å; Q95-D99 PolarHBondContact NE2-OD1 2.56Å; Q95-D99 PolarHBondContact NE2-OD2 3.48Å; Q95-D99 WeakPolarHBondContact O-CB 3.07Å; Q95-D99 PolarHBondContact O-N 3.39Å; A96-D99 PolarHBondContact O-N 2.75Å; V97-D99 VanDerWaalsContact C-N 3.32Å; V97-D99 PolarHBondContact O-N 2.85Å; D99-E101 VanDerWaalsContact C-N 3.34Å; D99-E101 PolarHBondContact O-N 3.45Å; D99-R102 PolarHBondContact O-N 3.33Å; D99-R102 IonicContact OD1-NH1 2.69Å; D99-E103 WeakPolarHBondContact O-CG 3.17Å; D99-E103 PolarHBondContact O-N 2.98Å |
| 100 | M | 78.3 | Confident | 76.7 | Confident | 128 Ų | 128 | 72.9 Ų | 72.9 | 63% | 0.631 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.1 | -47.1 | 170.3 | -71.8 | 175.9 | 62 | 0 | 0 | 111.4 | A96 V97 E103 Q104 | A96-M100 WeakPolarHBondContact O-CG 3.48Å; A96-M100 PolarHBondContact O-N 2.95Å; A96-M100 VanDerWaalsContact O-N 3.09Å; V97-M100 PolarHBondContact O-N 3.37Å; M100-E103 PolarHBondContact O-N 2.95Å; M100-Q104 WeakPolarHBondContact O-CG 3.36Å; M100-Q104 PolarHBondContact O-N 3.31Å |
| 101 | E | 74.7 | Confident | 74.9 | Confident | 45 Ų | 45 | 74 Ų | 74 | 21% | 0.21 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 177.8 | -172.2 | -176.5 | 167.1 | 0 | 0 | 111.7 | V97 D99 E103 Q104 M105 Y125 | V97-E101 PolarHBondContact O-N 2.91Å; V97-E101 VanDerWaalsContact O-N 3.08Å; D99-E101 VanDerWaalsContact C-N 3.34Å; D99-E101 PolarHBondContact O-N 3.45Å; E101-E103 PolarHBondContact O-N 3.42Å; E101-Q104 WeakPolarHBondContact O-CB 3.47Å; E101-Q104 PolarHBondContact O-N 2.94Å; E101-M105 WeakPolarHBondContact O-CG 2.91Å; E101-M105 PolarHBondContact O-N 3.26Å; E101-Y125 HydrophobicContact CG-CD2 3.92Å; E101-Y125 HydrophobicContact CG-CE2 4.18Å; E101-Y125 VanDerWaalsContact OE1-CD2 3.24Å; E101-Y125 WeakPolarHBondContact OE1-CD2 3.42Å; E101-Y125 WeakPolarHBondContact OE1-CE2 3.48Å |
| 102 | R | 76.4 | Confident | 73.3 | Confident | 63 Ų | 63 | 77.5 Ų | 77.5 | 24% | 0.238 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | 178.4 | -76.8 | 169.3 | -180 | 173.7 | 7.9 | 112.9 | K18 L98 D99 M105 K106 | K18-R102 VanDerWaalsContact CE-NH2 3.34Å; L98-R102 WeakPolarHBondContact O-CB 3.43Å; L98-R102 VanDerWaalsContact O-CG 3.22Å; L98-R102 WeakPolarHBondContact O-CG 3.42Å; L98-R102 PolarHBondContact O-N 3.36Å; D99-R102 PolarHBondContact O-N 3.33Å; D99-R102 IonicContact OD1-NH1 2.69Å; R102-M105 PolarHBondContact O-N 3.02Å; R102-K106 WeakPolarHBondContact O-CB 3.12Å; R102-K106 VanDerWaalsContact O-CG 3.28Å; R102-K106 WeakPolarHBondContact O-CG 3.43Å; R102-K106 PolarHBondContact O-N 3.47Å |
| 103 | E | 75.1 | Confident | 71.9 | Confident | 105 Ų | 105 | 77.3 Ų | 77.3 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.6 | -37.7 | 175.6 | -73.7 | -55 | 129.2 | 0 | 0 | 111.6 | D99 M100 E101 K106 S107 | D99-E103 WeakPolarHBondContact O-CG 3.17Å; D99-E103 PolarHBondContact O-N 2.98Å; M100-E103 PolarHBondContact O-N 2.95Å; E101-E103 PolarHBondContact O-N 3.42Å; E103-K106 PolarHBondContact O-N 3Å; E103-K106 IonicContact OE1-NZ 3.87Å; E103-K106 PolarHBondContact OE1-NZ 3.25Å; E103-S107 WeakPolarHBondContact O-CB 3.31Å; E103-S107 PolarHBondContact O-N 2.75Å; E103-S107 PolarHBondContact O-OG 3.14Å |
| 104 | Q | 69.1 | Low | 70.5 | Confident | 105 Ų | 105 | 76.4 Ų | 76.4 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 171 | -73.8 | 175.2 | -12.4 | 0 | 0 | 111.3 | M100 E101 K106 S107 A108 | M100-Q104 WeakPolarHBondContact O-CG 3.36Å; M100-Q104 PolarHBondContact O-N 3.31Å; E101-Q104 WeakPolarHBondContact O-CB 3.47Å; E101-Q104 PolarHBondContact O-N 2.94Å; Q104-K106 PolarHBondContact O-N 2.94Å; Q104-S107 PolarHBondContact O-N 3.47Å; Q104-S107 VanDerWaalsContact O-N 3.15Å; Q104-S107 PolarHBondContact O-OG 3.4Å; Q104-A108 PolarHBondContact O-N 2.67Å |
| 105 | M | 66.9 | Low | 69.5 | Low | 35 Ų | 35 | 84.9 Ų | 84.9 | 17% | 0.172 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 176.3 | -68.1 | 179.6 | 83.5 | 0 | 0 | 113.2 | E101 R102 S107 A108 A109 W186 | E101-M105 WeakPolarHBondContact O-CG 2.91Å; E101-M105 PolarHBondContact O-N 3.26Å; R102-M105 PolarHBondContact O-N 3.02Å; M105-S107 VanDerWaalsContact C-N 3.29Å; M105-S107 PolarHBondContact O-N 3.36Å; M105-A108 PolarHBondContact O-N 3.2Å; M105-A109 WeakPolarHBondContact O-CB 3.42Å; M105-A109 PolarHBondContact O-N 3.22Å; M105-W186 HydrophobicContact CE-CH2 4.29Å; M105-W186 HydrophobicContact CE-CZ3 3.61Å; M105-W186 HydrophobicContact SD-CE3 4.5Å; M105-W186 HydrophobicContact SD-CH2 4.36Å; M105-W186 HydrophobicContact SD-CZ3 3.57Å; M105-W186 VanDerWaalsContact SD-CZ3 3.57Å |
| 106 | K | 69.3 | Low | 68.6 | Low | 101 Ų | 101 | 85.6 Ų | 85.6 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 176.8 | -76.2 | 176.6 | -165.1 | 165.6 | 0 | 112 | R102 E103 Q104 R110 | R102-K106 WeakPolarHBondContact O-CB 3.12Å; R102-K106 VanDerWaalsContact O-CG 3.28Å; R102-K106 WeakPolarHBondContact O-CG 3.43Å; R102-K106 PolarHBondContact O-N 3.47Å; E103-K106 PolarHBondContact O-N 3Å; E103-K106 IonicContact OE1-NZ 3.87Å; E103-K106 PolarHBondContact OE1-NZ 3.25Å; Q104-K106 PolarHBondContact O-N 2.94Å; K106-R110 WeakPolarHBondContact O-CG 3.22Å; K106-R110 PolarHBondContact O-N 3.13Å |
| 107 | S | 64.4 | Low | 68 | Low | 71 Ų | 71 | 83.7 Ų | 83.7 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.4 | -39.8 | 176.7 | 76.7 | 0 | 0 | 0 | 0 | 111.5 | E103 Q104 M105 R110 | E103-S107 WeakPolarHBondContact O-CB 3.31Å; E103-S107 PolarHBondContact O-N 2.75Å; E103-S107 PolarHBondContact O-OG 3.14Å; Q104-S107 PolarHBondContact O-N 3.47Å; Q104-S107 VanDerWaalsContact O-N 3.15Å; Q104-S107 PolarHBondContact O-OG 3.4Å; M105-S107 VanDerWaalsContact C-N 3.29Å; M105-S107 PolarHBondContact O-N 3.36Å; S107-R110 PolarHBondContact O-N 3.43Å |
| 108 | A | 57.6 | Low | 66.7 | Low | 14 Ų | 14 | 81.8 Ų | 81.8 | 12% | 0.116 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q104 M105 R110 L111 N124 | Q104-A108 PolarHBondContact O-N 2.67Å; M105-A108 PolarHBondContact O-N 3.2Å; A108-R110 PolarHBondContact O-N 3.06Å; A108-R110 VanDerWaalsContact O-N 3.14Å; A108-L111 VanDerWaalsContact O-CB 3.27Å; A108-L111 WeakPolarHBondContact O-CB 3.46Å; A108-L111 PolarHBondContact O-N 3.18Å; A108-N124 HydrophobicContact CB-CB 3.82Å |
| 109 | A | 57.5 | Low | 65.8 | Low | 64 Ų | 64 | 82.1 Ų | 82.1 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | M105 L111 | M105-A109 WeakPolarHBondContact O-CB 3.42Å; M105-A109 PolarHBondContact O-N 3.22Å; A109-L111 VanDerWaalsContact C-N 3.32Å |
| 110 | R | 55.3 | Low | 65.4 | Low | 209 Ų | 209 | 79 Ų | 79 | 79% | 0.789 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -7.9 | 172.8 | -74.3 | 174.3 | -176.6 | 178.9 | 4.3 | 113.1 | K106 S107 A108 | K106-R110 WeakPolarHBondContact O-CG 3.22Å; K106-R110 PolarHBondContact O-N 3.13Å; S107-R110 PolarHBondContact O-N 3.43Å; A108-R110 PolarHBondContact O-N 3.06Å; A108-R110 VanDerWaalsContact O-N 3.14Å |
| 111 | L | 54.2 | Low | 65.1 | Low | 115 Ų | 115 | 75 Ų | 75 | 60% | 0.602 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -74.2 | 157.2 | 169.4 | -62.1 | 167.5 | 0 | 0 | 0 | 109.8 | A108 A109 Q113 | A108-L111 VanDerWaalsContact O-CB 3.27Å; A108-L111 WeakPolarHBondContact O-CB 3.46Å; A108-L111 PolarHBondContact O-N 3.18Å; A109-L111 VanDerWaalsContact C-N 3.32Å; L111-Q113 PolarHBondContact O-N 3.45Å |
| 112 | V | 54.8 | Low | 65 | Low | 115 Ų | 115 | 74.3 Ų | 74.3 | 70% | 0.697 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 133 | 179.2 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 113 | Q | 60.8 | Low | 64.6 | Low | 150 Ų | 150 | 75.5 Ų | 75.5 | 70% | 0.701 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -51 | 134.4 | 177.2 | -77.8 | -141.8 | -9.2 | 0 | 0 | 110.8 | L111 R115 | L111-Q113 PolarHBondContact O-N 3.45Å; Q113-R115 PolarHBondContact O-N 2.87Å |
| 114 | P | 60.8 | Low | 64.4 | Low | 37 Ų | 37 | 72.6 Ų | 72.6 | 24% | 0.24 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 130.5 | -176.9 | 25.2 | -33 | 0 | 0 | 0 | 109.2 | F120 M137 | P114-F120 HydrophobicContact CB-CB 4.28Å; P114-F120 HydrophobicContact CB-CD2 4.02Å; P114-F120 HydrophobicContact CG-CD2 3.65Å; P114-F120 HydrophobicContact CG-CE2 4.2Å; P114-M137 HydrophobicContact CB-CE 4.14Å; P114-M137 HydrophobicContact CG-CE 4.13Å |
| 115 | R | 66.2 | Low | 64.7 | Low | 186 Ų | 186 | 71.5 Ų | 71.5 | 70% | 0.702 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -90.6 | -19.5 | -177.7 | -62.7 | -176.2 | -172.3 | 177 | 3 | 112.4 | Q113 S119 | Q113-R115 PolarHBondContact O-N 2.87Å; R115-S119 PolarHBondContact N-OG 2.9Å |
| 116 | N | 68.6 | Low | 65.1 | Low | 23 Ų | 23 | 71.1 Ų | 71.1 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -154.4 | 170.2 | -178.4 | 57.6 | 22.3 | 0 | 0 | 0 | 108.7 | D118 S119 F120 M137 E141 | N116-D118 PolarHBondContact O-N 2.83Å; N116-S119 PolarHBondContact N-OG 2.67Å; N116-S119 PolarHBondContact O-N 3.04Å; N116-S119 PolarHBondContact O-OG 2.88Å; N116-S119 VanDerWaalsContact O-OG 3.11Å; N116-S119 VanDerWaalsContact OD1-CB 3.3Å; N116-S119 WeakPolarHBondContact OD1-CB 3.44Å; N116-S119 PolarHBondContact OD1-N 2.93Å; N116-S119 PolarHBondContact OD1-OG 3.36Å; N116-F120 PolarHBondContact O-N 2.88Å; N116-M137 WeakPolarHBondContact CA-SD 3.42Å; N116-M137 PolarHBondContact N-SD 3.47Å; N116-E141 WeakPolarHBondContact CA-OE1 3.37Å; N116-E141 WeakPolarHBondContact CB-OE1 3.44Å |
| 117 | T | 73.4 | Confident | 65.7 | Low | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.025 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -61.6 | -32.6 | -178.8 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | S119 F120 Y122 F134 M137 L138 E141 | T117-S119 PolarHBondContact O-N 2.64Å; T117-F120 WeakPolarHBondContact O-CB 3.37Å; T117-F120 PolarHBondContact O-N 2.61Å; T117-F120 VanDerWaalsContact O-N 3.12Å; T117-Y122 WeakPolarHBondContact O-CE2 3.4Å; T117-Y122 VanDerWaalsContact O-CZ 3.31Å; T117-Y122 PolarHBondContact O-OH 2.98Å; T117-F134 VanDerWaalsContact CB-CE2 3.44Å; T117-F134 HydrophobicContact CG2-CD2 3.88Å; T117-F134 HydrophobicContact CG2-CE2 3.63Å; T117-F134 HydrophobicContact CG2-CG 4.47Å; T117-F134 HydrophobicContact CG2-CZ 4Å; T117-M137 HydrophobicContact CG2-CB 3.78Å; T117-L138 HydrophobicContact CG2-CB 3.58Å; T117-L138 HydrophobicContact CG2-CD1 3.79Å; T117-L138 HydrophobicContact CG2-CG 4.28Å; T117-E141 WeakPolarHBondContact CB-OE2 3.27Å; T117-E141 WeakPolarHBondContact CG2-OE2 3.32Å; T117-E141 PolarHBondContact N-OE1 2.87Å; T117-E141 PolarHBondContact OG1-OE2 2.95Å |
| 118 | D | 55.1 | Low | 66.5 | Low | 32 Ų | 32 | 69.3 Ų | 69.3 | 17% | 0.171 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -72.4 | -29.1 | -178.5 | -71.8 | -44.9 | 0 | 0 | 0 | 115.4 | N116 T413 S414 | N116-D118 PolarHBondContact O-N 2.83Å; D118-T413 WeakPolarHBondContact CB-O 3.43Å; D118-T413 VanDerWaalsContact CG-O 3.25Å; D118-S414 VanDerWaalsContact OD2-CA 3.26Å; D118-S414 WeakPolarHBondContact OD2-CA 3.44Å; D118-S414 WeakPolarHBondContact OD2-CB 2.88Å; D118-S414 PolarHBondContact OD2-OG 2.69Å |
| 119 | S | 62.1 | Low | 67.6 | Low | 51 Ų | 51 | 72.3 Ų | 72.3 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -85 | 1.8 | 172.1 | 57 | 0 | 0 | 0 | 0 | 112.6 | R115 N116 T117 | R115-S119 PolarHBondContact N-OG 2.9Å; N116-S119 PolarHBondContact N-OG 2.67Å; N116-S119 PolarHBondContact O-N 3.04Å; N116-S119 PolarHBondContact O-OG 2.88Å; N116-S119 VanDerWaalsContact O-OG 3.11Å; N116-S119 VanDerWaalsContact OD1-CB 3.3Å; N116-S119 WeakPolarHBondContact OD1-CB 3.44Å; N116-S119 PolarHBondContact OD1-N 2.93Å; N116-S119 PolarHBondContact OD1-OG 3.36Å; T117-S119 PolarHBondContact O-N 2.64Å |
| 120 | F | 73.3 | Confident | 68.8 | Low | 6 Ų | 6 | 71.5 Ų | 71.5 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -70.1 | 135.9 | 173.3 | -161.3 | -92.1 | 0 | 0 | 0 | 110.2 | P114 N116 T117 Y122 H126 E130 F134 M137 L193 | P114-F120 HydrophobicContact CB-CB 4.28Å; P114-F120 HydrophobicContact CB-CD2 4.02Å; P114-F120 HydrophobicContact CG-CD2 3.65Å; P114-F120 HydrophobicContact CG-CE2 4.2Å; N116-F120 PolarHBondContact O-N 2.88Å; T117-F120 WeakPolarHBondContact O-CB 3.37Å; T117-F120 PolarHBondContact O-N 2.61Å; T117-F120 VanDerWaalsContact O-N 3.12Å; F120-Y122 HydrophobicContact CB-CE2 4.24Å; F120-Y122 HydrophobicContact CD1-CD1 4.36Å; F120-Y122 HydrophobicContact CD1-CE1 4.36Å; F120-Y122 WeakPolarHBondContact O-CD2 3.48Å; F120-Y122 WeakPolarHBondContact O-CE2 3.47Å; F120-Y122 PolarHBondContact O-N 2.77Å; F120-H126 AromaticContact CD1-NE2 3.92Å; F120-H126 AromaticContact CE1-CD2 3.25Å; F120-H126 WeakPolarHBondContact CE1-CD2 3.5Å; F120-H126 AromaticContact CE1-CE1 3.53Å; F120-H126 AromaticContact CE1-CG 3.57Å; F120-H126 AromaticContact CE1-ND1 3.75Å; F120-H126 AromaticContact CE1-NE2 3.22Å; F120-H126 WeakPolarHBondContact CE1-NE2 3.12Å; F120-H126 AromaticContact CE2-ND1 4Å; F120-H126 HydrophobicContact CZ-CB 3.99Å; F120-H126 AromaticContact CZ-CD2 3.54Å; F120-H126 AromaticContact CZ-CE1 3.58Å; F120-H126 AromaticContact CZ-CG 3.3Å; F120-H126 AromaticContact CZ-ND1 3.34Å; F120-H126 VanDerWaalsContact CZ-ND1 3.34Å; F120-H126 WeakPolarHBondContact CZ-ND1 3.49Å; F120-H126 AromaticContact CZ-NE2 3.69Å; F120-E130 HydrophobicContact CE2-CB 4.37Å; F120-F134 HydrophobicContact CB-CD2 3.87Å; F120-F134 HydrophobicContact CB-CE2 4.18Å; F120-F134 AromaticContact CD1-CD2 3.94Å; F120-F134 HydrophobicContact CD1-CD2 3.94Å; F120-F134 HydrophobicContact CD1-CE2 4.38Å; F120-F134 HydrophobicContact CD2-CB 3.93Å; F120-F134 AromaticContact CD2-CD2 3.71Å; F120-F134 HydrophobicContact CD2-CD2 3.71Å; F120-F134 HydrophobicContact CD2-CG 4.28Å; F120-F134 HydrophobicContact CE1-CD2 4.42Å; F120-F134 HydrophobicContact CE2-CB 3.7Å; F120-F134 HydrophobicContact CE2-CD2 4.21Å; F120-F134 HydrophobicContact CE2-CG 4.37Å; F120-F134 AromaticContact CG-CD2 3.55Å; F120-F134 HydrophobicContact CG-CD2 3.55Å; F120-F134 HydrophobicContact CG-CE2 4.19Å; F120-F134 HydrophobicContact CG-CG 4.45Å; F120-F134 HydrophobicContact CZ-CB 4.15Å; F120-M137 HydrophobicContact CD2-CE 4.18Å; F120-L193 HydrophobicContact CD1-CD1 4.33Å; F120-L193 HydrophobicContact CE1-CD1 3.53Å; F120-L193 HydrophobicContact CZ-CD1 4.13Å |
| 121 | D | 71.4 | Confident | 70.2 | Confident | 43 Ų | 43 | 62.3 Ų | 62.3 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | trans | -82.2 | 87.1 | -176.2 | -179.8 | 4.6 | 0 | 0 | 0 | 111.5 | A123 N124 H126 | D121-A123 PolarHBondContact O-N 2.97Å; D121-A123 VanDerWaalsContact O-N 3.08Å; D121-A123 WeakPolarHBondContact OD1-CB 3.43Å; D121-A123 PolarHBondContact OD1-N 3.12Å; D121-N124 PolarHBondContact O-N 2.68Å; D121-N124 PolarHBondContact OD2-ND2 3.27Å; D121-H126 PolarHBondContact O-CE1 2.87Å; D121-H126 PolarHBondContact O-NE2 3.16Å | ||
| 122 | Y | 72.8 | Confident | 71.8 | Confident | 32 Ų | 32 | 59 Ų | 59 | 13% | 0.125 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -6.8 | 179.6 | -58 | -85.5 | 0 | 0 | 0 | 115.1 | T117 F120 F134 L193 W194 | T117-Y122 WeakPolarHBondContact O-CE2 3.4Å; T117-Y122 VanDerWaalsContact O-CZ 3.31Å; T117-Y122 PolarHBondContact O-OH 2.98Å; F120-Y122 HydrophobicContact CB-CE2 4.24Å; F120-Y122 HydrophobicContact CD1-CD1 4.36Å; F120-Y122 HydrophobicContact CD1-CE1 4.36Å; F120-Y122 WeakPolarHBondContact O-CD2 3.48Å; F120-Y122 WeakPolarHBondContact O-CE2 3.47Å; F120-Y122 PolarHBondContact O-N 2.77Å; Y122-F134 AromaticContact CE1-CE2 3.84Å; Y122-F134 HydrophobicContact CE1-CE2 3.84Å; Y122-F134 HydrophobicContact CE1-CZ 4.16Å; Y122-F134 AromaticContact CZ-CE2 3.89Å; Y122-F134 WeakPolarHBondContact OH-CE2 3.37Å; Y122-L193 HydrophobicContact CD1-CB 3.74Å; Y122-L193 VanDerWaalsContact CE1-C 3.47Å; Y122-L193 HydrophobicContact CE1-CB 3.74Å; Y122-L193 WeakPolarHBondContact CE1-O 3.47Å; Y122-W194 HydrophobicContact CD1-CE3 4.4Å; Y122-W194 HydrophobicContact CD2-CE3 4.49Å; Y122-W194 AromaticContact CG-CE3 3.95Å; Y122-W194 HydrophobicContact CG-CE3 3.95Å; Y122-W194 HydrophobicContact CG-CZ3 4.4Å |
| 123 | A | 67.9 | Low | 73.3 | Confident | 88 Ų | 88 | 56.4 Ų | 56.4 | 73% | 0.727 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -9.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D121 | D121-A123 PolarHBondContact O-N 2.97Å; D121-A123 VanDerWaalsContact O-N 3.08Å; D121-A123 WeakPolarHBondContact OD1-CB 3.43Å; D121-A123 PolarHBondContact OD1-N 3.12Å |
| 124 | N | 72 | Confident | 74.5 | Confident | 44 Ų | 44 | 49.4 Ų | 49.4 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -125.6 | 162.4 | -178.3 | -71.2 | -69.3 | 0 | 0 | 0 | 112 | A108 D121 H126 | A108-N124 HydrophobicContact CB-CB 3.82Å; D121-N124 PolarHBondContact O-N 2.68Å; D121-N124 PolarHBondContact OD2-ND2 3.27Å; N124-H126 PolarHBondContact O-CD2 3.43Å; N124-H126 PolarHBondContact O-NE2 3.07Å; N124-H126 VanDerWaalsContact O-NE2 3.13Å |
| 125 | Y | 73.9 | Confident | 75.9 | Confident | 81 Ų | 81 | 48.9 Ų | 48.9 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | trans | -77 | 146.8 | 174.1 | -63.3 | -56.5 | 0 | 0 | 0 | 112.1 | E101 W186 | E101-Y125 HydrophobicContact CG-CD2 3.92Å; E101-Y125 HydrophobicContact CG-CE2 4.18Å; E101-Y125 VanDerWaalsContact OE1-CD2 3.24Å; E101-Y125 WeakPolarHBondContact OE1-CD2 3.42Å; E101-Y125 WeakPolarHBondContact OE1-CE2 3.48Å; Y125-W186 HydrophobicContact CD1-CB 3.72Å; Y125-W186 HydrophobicContact CD1-CE3 4.46Å; Y125-W186 HydrophobicContact CD2-CE3 4.25Å; Y125-W186 HydrophobicContact CE1-CB 3.73Å; Y125-W186 HydrophobicContact CG-CB 4.29Å; Y125-W186 AromaticContact CG-CE3 3.94Å; Y125-W186 HydrophobicContact CG-CE3 3.94Å | ||
| 126 | H | 76.6 | Confident | 77 | Confident | 27 Ų | 27 | 44 Ų | 44 | 13% | 0.125 | 25% | 0.249 | C | C | . | . | trans | -122 | 151.2 | -174.5 | -68 | -82.4 | 0 | 0 | 0 | 112.2 | F120 D121 N124 E130 I131 | F120-H126 AromaticContact CD1-NE2 3.92Å; F120-H126 AromaticContact CE1-CD2 3.25Å; F120-H126 WeakPolarHBondContact CE1-CD2 3.5Å; F120-H126 AromaticContact CE1-CE1 3.53Å; F120-H126 AromaticContact CE1-CG 3.57Å; F120-H126 AromaticContact CE1-ND1 3.75Å; F120-H126 AromaticContact CE1-NE2 3.22Å; F120-H126 WeakPolarHBondContact CE1-NE2 3.12Å; F120-H126 AromaticContact CE2-ND1 4Å; F120-H126 HydrophobicContact CZ-CB 3.99Å; F120-H126 AromaticContact CZ-CD2 3.54Å; F120-H126 AromaticContact CZ-CE1 3.58Å; F120-H126 AromaticContact CZ-CG 3.3Å; F120-H126 AromaticContact CZ-ND1 3.34Å; F120-H126 VanDerWaalsContact CZ-ND1 3.34Å; F120-H126 WeakPolarHBondContact CZ-ND1 3.49Å; F120-H126 AromaticContact CZ-NE2 3.69Å; D121-H126 PolarHBondContact O-CE1 2.87Å; D121-H126 PolarHBondContact O-NE2 3.16Å; N124-H126 PolarHBondContact O-CD2 3.43Å; N124-H126 PolarHBondContact O-NE2 3.07Å; N124-H126 VanDerWaalsContact O-NE2 3.13Å; H126-E130 HydrophobicContact CB-CB 4.06Å; H126-I131 HydrophobicContact CB-CD1 4.48Å; H126-I131 HydrophobicContact CB-CG1 3.97Å | ||
| 127 | T | 80.8 | Confident | 77.8 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 37% | 0.374 | 25% | 0.25 | S | S | . | . | trans | -68.3 | 156.4 | 169.3 | 65.4 | 0 | 0 | 0 | 0 | 111.1 | S129 E130 I131 | T127-S129 PolarHBondContact O-N 2.82Å; T127-S129 PolarHBondContact OG1-OG 3.41Å; T127-E130 VanDerWaalsContact CB-OE2 3.29Å; T127-E130 WeakPolarHBondContact CB-OE2 3.3Å; T127-E130 WeakPolarHBondContact CG2-OE2 3.23Å; T127-E130 PolarHBondContact N-OE2 3.39Å; T127-E130 PolarHBondContact O-N 3.38Å; T127-E130 WeakPolarHBondContact OG1-CG 3.47Å; T127-E130 PolarHBondContact OG1-N 3.12Å; T127-E130 PolarHBondContact OG1-OE2 2.8Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 3.48Å | ||
| 128 | L | 80.6 | Confident | 78.4 | Confident | 73 Ų | 73 | 44.3 Ų | 44.3 | 38% | 0.382 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -57.3 | -34.1 | 176.3 | -175.4 | 61.6 | 0 | 0 | 0 | 112.8 | I131 Y132 | L128-I131 PolarHBondContact O-N 3.4Å; L128-Y132 HydrophobicContact CD1-CD1 4.17Å; L128-Y132 HydrophobicContact CD1-CE1 3.54Å; L128-Y132 HydrophobicContact CD1-CE2 4.46Å; L128-Y132 HydrophobicContact CD2-CE2 4.36Å; L128-Y132 HydrophobicContact CG-CE1 4.03Å; L128-Y132 HydrophobicContact CG-CE2 4.05Å; L128-Y132 PolarHBondContact O-N 2.82Å |
| 129 | S | 81.7 | Confident | 79.8 | Confident | 77 Ų | 77 | 44.5 Ų | 44.5 | 54% | 0.538 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 174.6 | 38.1 | 0 | 0 | 0 | 0 | 112.5 | T127 I131 Y132 S133 | T127-S129 PolarHBondContact O-N 2.82Å; T127-S129 PolarHBondContact OG1-OG 3.41Å; S129-I131 VanDerWaalsContact C-N 3.33Å; S129-Y132 PolarHBondContact O-N 3Å; S129-S133 PolarHBondContact O-N 3.44Å; S129-S133 PolarHBondContact O-OG 3.31Å |
| 130 | E | 81.9 | Confident | 80.5 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 22% | 0.22 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 177.3 | -73.2 | 157.6 | 153.5 | 0 | 0 | 110.9 | F120 H126 T127 S133 F134 | F120-E130 HydrophobicContact CE2-CB 4.37Å; H126-E130 HydrophobicContact CB-CB 4.06Å; T127-E130 VanDerWaalsContact CB-OE2 3.29Å; T127-E130 WeakPolarHBondContact CB-OE2 3.3Å; T127-E130 WeakPolarHBondContact CG2-OE2 3.23Å; T127-E130 PolarHBondContact N-OE2 3.39Å; T127-E130 PolarHBondContact O-N 3.38Å; T127-E130 WeakPolarHBondContact OG1-CG 3.47Å; T127-E130 PolarHBondContact OG1-N 3.12Å; T127-E130 PolarHBondContact OG1-OE2 2.8Å; E130-S133 PolarHBondContact O-N 3Å; E130-F134 PolarHBondContact O-N 3.24Å |
| 131 | I | 85 | Confident | 80.6 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 173.7 | -64.3 | 170.5 | 0 | 0 | 0 | 111 | H126 T127 L128 S129 F134 Q135 Q189 | H126-I131 HydrophobicContact CB-CD1 4.48Å; H126-I131 HydrophobicContact CB-CG1 3.97Å; T127-I131 WeakPolarHBondContact O-CG1 3.48Å; T127-I131 PolarHBondContact O-N 3.48Å; L128-I131 PolarHBondContact O-N 3.4Å; S129-I131 VanDerWaalsContact C-N 3.33Å; I131-F134 WeakPolarHBondContact O-CB 3.38Å; I131-F134 PolarHBondContact O-N 3.05Å; I131-Q135 VanDerWaalsContact O-CG 3.31Å; I131-Q135 WeakPolarHBondContact O-CG 3.25Å; I131-Q135 PolarHBondContact O-N 3.04Å; I131-Q189 HydrophobicContact CD1-CB 4.35Å |
| 132 | Y | 88.8 | Confident | 80.7 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 18% | 0.184 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.4 | -71.5 | -7.5 | 0 | 0 | 0 | 112.3 | L128 S129 F134 Q135 D136 P159 N161 | L128-Y132 HydrophobicContact CD1-CD1 4.17Å; L128-Y132 HydrophobicContact CD1-CE1 3.54Å; L128-Y132 HydrophobicContact CD1-CE2 4.46Å; L128-Y132 HydrophobicContact CD2-CE2 4.36Å; L128-Y132 HydrophobicContact CG-CE1 4.03Å; L128-Y132 HydrophobicContact CG-CE2 4.05Å; L128-Y132 PolarHBondContact O-N 2.82Å; S129-Y132 PolarHBondContact O-N 3Å; Y132-F134 VanDerWaalsContact C-N 3.32Å; Y132-F134 PolarHBondContact O-N 2.98Å; Y132-Q135 WeakPolarHBondContact O-CB 3.21Å; Y132-Q135 PolarHBondContact O-N 3.25Å; Y132-D136 PolarHBondContact O-N 2.88Å; Y132-P159 HydrophobicContact CD2-CG 4.48Å; Y132-P159 HydrophobicContact CE2-CG 3.81Å; Y132-P159 PolarHBondContact OH-O 2.85Å; Y132-N161 VanDerWaalsContact CD1-ND2 3.3Å; Y132-N161 WeakPolarHBondContact CD1-ND2 3.29Å; Y132-N161 WeakPolarHBondContact CE1-ND2 3.26Å |
| 133 | S | 85.8 | Confident | 81 | Confident | 59 Ų | 59 | 51 Ų | 51 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 173.2 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | S129 E130 Q135 D136 M137 | S129-S133 PolarHBondContact O-N 3.44Å; S129-S133 PolarHBondContact O-OG 3.31Å; E130-S133 PolarHBondContact O-N 3Å; S133-Q135 PolarHBondContact O-N 3.02Å; S133-D136 PolarHBondContact O-N 2.82Å; S133-M137 WeakPolarHBondContact O-CG 3.27Å; S133-M137 PolarHBondContact O-N 2.77Å |
| 134 | F | 86.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 172.3 | 174.2 | -86.8 | 0 | 0 | 0 | 112.3 | T117 F120 Y122 E130 I131 Y132 D136 M137 L138 L193 A196 | T117-F134 VanDerWaalsContact CB-CE2 3.44Å; T117-F134 HydrophobicContact CG2-CD2 3.88Å; T117-F134 HydrophobicContact CG2-CE2 3.63Å; T117-F134 HydrophobicContact CG2-CG 4.47Å; T117-F134 HydrophobicContact CG2-CZ 4Å; F120-F134 HydrophobicContact CB-CD2 3.87Å; F120-F134 HydrophobicContact CB-CE2 4.18Å; F120-F134 AromaticContact CD1-CD2 3.94Å; F120-F134 HydrophobicContact CD1-CD2 3.94Å; F120-F134 HydrophobicContact CD1-CE2 4.38Å; F120-F134 HydrophobicContact CD2-CB 3.93Å; F120-F134 AromaticContact CD2-CD2 3.71Å; F120-F134 HydrophobicContact CD2-CD2 3.71Å; F120-F134 HydrophobicContact CD2-CG 4.28Å; F120-F134 HydrophobicContact CE1-CD2 4.42Å; F120-F134 HydrophobicContact CE2-CB 3.7Å; F120-F134 HydrophobicContact CE2-CD2 4.21Å; F120-F134 HydrophobicContact CE2-CG 4.37Å; F120-F134 AromaticContact CG-CD2 3.55Å; F120-F134 HydrophobicContact CG-CD2 3.55Å; F120-F134 HydrophobicContact CG-CE2 4.19Å; F120-F134 HydrophobicContact CG-CG 4.45Å; F120-F134 HydrophobicContact CZ-CB 4.15Å; Y122-F134 AromaticContact CE1-CE2 3.84Å; Y122-F134 HydrophobicContact CE1-CE2 3.84Å; Y122-F134 HydrophobicContact CE1-CZ 4.16Å; Y122-F134 AromaticContact CZ-CE2 3.89Å; Y122-F134 WeakPolarHBondContact OH-CE2 3.37Å; E130-F134 PolarHBondContact O-N 3.24Å; I131-F134 WeakPolarHBondContact O-CB 3.38Å; I131-F134 PolarHBondContact O-N 3.05Å; Y132-F134 VanDerWaalsContact C-N 3.32Å; Y132-F134 PolarHBondContact O-N 2.98Å; F134-D136 VanDerWaalsContact C-N 3.27Å; F134-D136 PolarHBondContact O-N 2.94Å; F134-M137 HydrophobicContact CB-CE 4.36Å; F134-M137 PolarHBondContact O-N 3.36Å; F134-L138 HydrophobicContact CE1-CB 4.31Å; F134-L138 HydrophobicContact CE1-CD2 4.04Å; F134-L138 HydrophobicContact CZ-CD2 4.48Å; F134-L138 WeakPolarHBondContact O-CB 3.12Å; F134-L138 PolarHBondContact O-N 3.25Å; F134-L193 HydrophobicContact CB-CD2 4.38Å; F134-L193 HydrophobicContact CD1-CD2 3.14Å; F134-L193 HydrophobicContact CD2-CD2 4.2Å; F134-L193 HydrophobicContact CE1-CB 4.48Å; F134-L193 HydrophobicContact CE1-CD2 3.25Å; F134-L193 HydrophobicContact CE1-CG 4.46Å; F134-L193 HydrophobicContact CE2-CD2 4.27Å; F134-L193 HydrophobicContact CG-CD2 3.65Å; F134-L193 HydrophobicContact CZ-CB 4.32Å; F134-L193 HydrophobicContact CZ-CD2 3.83Å; F134-A196 HydrophobicContact CZ-CB 4.25Å |
| 135 | Q | 89.6 | Confident | 81.7 | Confident | 26 Ų | 26 | 54 Ų | 54 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 178.4 | -69 | 171.8 | -6.4 | 0 | 0 | 111.6 | I131 Y132 S133 V139 K148 N161 L163 | I131-Q135 VanDerWaalsContact O-CG 3.31Å; I131-Q135 WeakPolarHBondContact O-CG 3.25Å; I131-Q135 PolarHBondContact O-N 3.04Å; Y132-Q135 WeakPolarHBondContact O-CB 3.21Å; Y132-Q135 PolarHBondContact O-N 3.25Å; S133-Q135 PolarHBondContact O-N 3.02Å; Q135-V139 VanDerWaalsContact O-CG2 3.3Å; Q135-V139 WeakPolarHBondContact O-CG2 3.44Å; Q135-V139 PolarHBondContact O-N 3.25Å; Q135-V139 VanDerWaalsContact O-N 3.12Å; Q135-K148 HydrophobicContact CB-CD 4.09Å; Q135-N161 PolarHBondContact OE1-ND2 3.37Å; Q135-L163 HydrophobicContact CB-CD1 4.36Å; Q135-L163 HydrophobicContact CB-CD2 4.07Å; Q135-L163 HydrophobicContact CB-CG 4.41Å; Q135-L163 HydrophobicContact CG-CD1 3.87Å; Q135-L163 HydrophobicContact CG-CD2 4.33Å; Q135-L163 HydrophobicContact CG-CG 4.12Å |
| 136 | D | 89 | Confident | 82.3 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 44% | 0.444 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 174.4 | -77.1 | -47.8 | 0 | 0 | 0 | 112.1 | Y132 S133 F134 V139 A140 K148 | Y132-D136 PolarHBondContact O-N 2.88Å; S133-D136 PolarHBondContact O-N 2.82Å; F134-D136 VanDerWaalsContact C-N 3.27Å; F134-D136 PolarHBondContact O-N 2.94Å; D136-V139 PolarHBondContact O-N 2.85Å; D136-A140 WeakPolarHBondContact O-CB 3.46Å; D136-A140 PolarHBondContact O-N 3.28Å; D136-K148 WeakPolarHBondContact OD1-CE 3.44Å; D136-K148 IonicContact OD1-NZ 2.73Å; D136-K148 PolarHBondContact OD1-NZ 2.95Å; D136-K148 IonicContact OD2-NZ 2.61Å; D136-K148 PolarHBondContact OD2-NZ 2.8Å |
| 137 | M | 86.2 | Confident | 83 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 14% | 0.143 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 175.3 | -69.5 | -174.8 | -61.9 | 0 | 0 | 111.3 | P114 N116 T117 F120 S133 F134 V139 A140 E141 | P114-M137 HydrophobicContact CB-CE 4.14Å; P114-M137 HydrophobicContact CG-CE 4.13Å; N116-M137 WeakPolarHBondContact CA-SD 3.42Å; N116-M137 PolarHBondContact N-SD 3.47Å; T117-M137 HydrophobicContact CG2-CB 3.78Å; F120-M137 HydrophobicContact CD2-CE 4.18Å; S133-M137 WeakPolarHBondContact O-CG 3.27Å; S133-M137 PolarHBondContact O-N 2.77Å; F134-M137 HydrophobicContact CB-CE 4.36Å; F134-M137 PolarHBondContact O-N 3.36Å; M137-V139 VanDerWaalsContact C-N 3.33Å; M137-V139 PolarHBondContact O-N 2.97Å; M137-A140 PolarHBondContact O-N 3.09Å; M137-A140 VanDerWaalsContact O-N 3.12Å; M137-E141 WeakPolarHBondContact O-CB 3.42Å; M137-E141 VanDerWaalsContact O-CG 3.27Å; M137-E141 WeakPolarHBondContact O-CG 3.24Å; M137-E141 PolarHBondContact O-N 3.36Å |
| 138 | L | 84.3 | Confident | 83.6 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | -178.5 | -168.8 | 66.8 | 0 | 0 | 0 | 112.3 | T117 F134 N142 V146 L163 F165 A196 | T117-L138 HydrophobicContact CG2-CB 3.58Å; T117-L138 HydrophobicContact CG2-CD1 3.79Å; T117-L138 HydrophobicContact CG2-CG 4.28Å; F134-L138 HydrophobicContact CE1-CB 4.31Å; F134-L138 HydrophobicContact CE1-CD2 4.04Å; F134-L138 HydrophobicContact CZ-CD2 4.48Å; F134-L138 WeakPolarHBondContact O-CB 3.12Å; F134-L138 PolarHBondContact O-N 3.25Å; L138-N142 WeakPolarHBondContact O-CB 3.48Å; L138-N142 PolarHBondContact O-N 3.25Å; L138-N142 PolarHBondContact O-ND2 2.97Å; L138-V146 HydrophobicContact CD2-CG1 4.2Å; L138-V146 HydrophobicContact CG-CG1 4.28Å; L138-L163 HydrophobicContact CD2-CD1 3.75Å; L138-F165 HydrophobicContact CD2-CE1 4.15Å; L138-F165 HydrophobicContact CD2-CZ 3.9Å; L138-A196 HydrophobicContact CD1-CB 3.93Å; L138-A196 HydrophobicContact CD2-CB 4.07Å |
| 139 | V | 85.2 | Confident | 84.2 | Confident | 35 Ų | 35 | 51.3 Ų | 51.3 | 21% | 0.212 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | Q135 D136 M137 E141 N142 P143 V146 K148 L163 | Q135-V139 VanDerWaalsContact O-CG2 3.3Å; Q135-V139 WeakPolarHBondContact O-CG2 3.44Å; Q135-V139 PolarHBondContact O-N 3.25Å; Q135-V139 VanDerWaalsContact O-N 3.12Å; D136-V139 PolarHBondContact O-N 2.85Å; M137-V139 VanDerWaalsContact C-N 3.33Å; M137-V139 PolarHBondContact O-N 2.97Å; V139-E141 VanDerWaalsContact C-N 3.29Å; V139-E141 PolarHBondContact O-N 2.83Å; V139-N142 CarbonylContact O-C 3.6Å; V139-N142 PolarHBondContact O-N 2.84Å; V139-P143 VanDerWaalsContact O-CA 3.28Å; V139-P143 WeakPolarHBondContact O-CA 3.19Å; V139-P143 VanDerWaalsContact O-N 3.14Å; V139-V146 HydrophobicContact CG2-CG1 3.98Å; V139-K148 HydrophobicContact CG2-CB 3.8Å; V139-L163 HydrophobicContact CG2-CD2 3.73Å |
| 140 | A | 76.1 | Confident | 84.8 | Confident | 75 Ų | 75 | 51.7 Ų | 51.7 | 62% | 0.62 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.1 | -36.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D136 M137 | D136-A140 WeakPolarHBondContact O-CB 3.46Å; D136-A140 PolarHBondContact O-N 3.28Å; M137-A140 PolarHBondContact O-N 3.09Å; M137-A140 VanDerWaalsContact O-N 3.12Å |
| 141 | E | 75.2 | Confident | 85.3 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 29% | 0.29 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -77.2 | -28.9 | 178.5 | -72.1 | 162.4 | -149.1 | 0 | 0 | 112.9 | N116 T117 M137 V139 P143 | N116-E141 WeakPolarHBondContact CA-OE1 3.37Å; N116-E141 WeakPolarHBondContact CB-OE1 3.44Å; T117-E141 WeakPolarHBondContact CB-OE2 3.27Å; T117-E141 WeakPolarHBondContact CG2-OE2 3.32Å; T117-E141 PolarHBondContact N-OE1 2.87Å; T117-E141 PolarHBondContact OG1-OE2 2.95Å; M137-E141 WeakPolarHBondContact O-CB 3.42Å; M137-E141 VanDerWaalsContact O-CG 3.27Å; M137-E141 WeakPolarHBondContact O-CG 3.24Å; M137-E141 PolarHBondContact O-N 3.36Å; V139-E141 VanDerWaalsContact C-N 3.29Å; V139-E141 PolarHBondContact O-N 2.83Å; E141-P143 VanDerWaalsContact C-CD 3.43Å |
| 142 | N | 74.5 | Confident | 85.7 | Confident | 61 Ų | 61 | 55 Ų | 55 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | trans | -128.8 | 50.8 | -174 | -56.6 | -85.4 | 0 | 0 | 0 | 113.2 | L138 V139 N144 L145 V146 | L138-N142 WeakPolarHBondContact O-CB 3.48Å; L138-N142 PolarHBondContact O-N 3.25Å; L138-N142 PolarHBondContact O-ND2 2.97Å; V139-N142 CarbonylContact O-C 3.6Å; V139-N142 PolarHBondContact O-N 2.84Å; N142-N144 PolarHBondContact O-N 3.32Å; N142-L145 PolarHBondContact O-N 2.74Å; N142-V146 HydrophobicContact CB-CB 4.06Å; N142-V146 HydrophobicContact CB-CG2 3.6Å; N142-V146 PolarHBondContact O-N 3.33Å | ||
| 143 | P | 79.4 | Confident | 85.9 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -19.4 | -165.7 | 26.9 | -36.6 | 0 | 0 | 0 | 114.7 | V139 E141 | V139-P143 VanDerWaalsContact O-CA 3.28Å; V139-P143 WeakPolarHBondContact O-CA 3.19Å; V139-P143 VanDerWaalsContact O-N 3.14Å; E141-P143 VanDerWaalsContact C-CD 3.43Å |
| 144 | N | 74.4 | Confident | 86 | Confident | 117 Ų | 117 | 58.5 Ų | 58.5 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -12.1 | 179.2 | -63.6 | -41.3 | 0 | 0 | 0 | 113.5 | N142 | N142-N144 PolarHBondContact O-N 3.32Š|
| 145 | L | 78.9 | Confident | 85.9 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 41% | 0.414 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -40.4 | -178 | 179.8 | 63.2 | 0 | 0 | 0 | 110.9 | N142 F165 S166 T167 | N142-L145 PolarHBondContact O-N 2.74Å; L145-F165 CarbonylContact O-C 3.45Å; L145-F165 WeakPolarHBondContact O-CA 2.97Å; L145-S166 PolarHBondContact O-N 2.68Å; L145-T167 HydrophobicContact CD1-CG2 4.2Å |
| 146 | V | 87.8 | Confident | 85.6 | Confident | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.018 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.4 | -171.7 | -168.2 | 0 | 0 | 0 | 0 | 109.4 | L138 V139 N142 L163 K164 F165 | L138-V146 HydrophobicContact CD2-CG1 4.2Å; L138-V146 HydrophobicContact CG-CG1 4.28Å; V139-V146 HydrophobicContact CG2-CG1 3.98Å; N142-V146 HydrophobicContact CB-CB 4.06Å; N142-V146 HydrophobicContact CB-CG2 3.6Å; N142-V146 PolarHBondContact O-N 3.33Å; V146-L163 HydrophobicContact CG1-CB 4.32Å; V146-L163 HydrophobicContact CG1-CD2 3.86Å; V146-K164 CarbonylContact C-O 3.56Å; V146-K164 WeakPolarHBondContact CA-O 3.14Å; V146-F165 HydrophobicContact CB-CE1 4.42Å; V146-F165 HydrophobicContact CG1-CD1 4.43Å; V146-F165 HydrophobicContact CG1-CE1 4.06Å; V146-F165 HydrophobicContact CG1-CZ 4.17Å; V146-F165 HydrophobicContact CG2-CD1 3.51Å; V146-F165 HydrophobicContact CG2-CE1 3.46Å; V146-F165 VanDerWaalsContact CG2-CE1 3.46Å; V146-F165 HydrophobicContact CG2-CG 4.43Å; V146-F165 HydrophobicContact CG2-CZ 4.37Å |
| 147 | S | 91.2 | Very high | 85.5 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 34% | 0.336 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142.3 | 172.3 | 54.4 | 0 | 0 | 0 | 0 | 109.8 | L163 K164 | S147-L163 CarbonylContact O-C 3.43Å; S147-L163 WeakPolarHBondContact O-CA 3.33Å; S147-K164 PolarHBondContact N-O 3.13Å; S147-K164 PolarHBondContact O-N 2.83Å; S147-K164 PolarHBondContact OG-O 3.06Å |
| 148 | K | 92.3 | Very high | 85.7 | Confident | 64 Ų | 64 | 76.6 Ų | 76.6 | 28% | 0.278 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 125 | 173.5 | -177.5 | 167.8 | 69 | 168.7 | 0 | 109.8 | Q135 D136 V139 N161 V162 L163 | Q135-K148 HydrophobicContact CB-CD 4.09Å; D136-K148 WeakPolarHBondContact OD1-CE 3.44Å; D136-K148 IonicContact OD1-NZ 2.73Å; D136-K148 PolarHBondContact OD1-NZ 2.95Å; D136-K148 IonicContact OD2-NZ 2.61Å; D136-K148 PolarHBondContact OD2-NZ 2.8Å; V139-K148 HydrophobicContact CG2-CB 3.8Å; K148-N161 HydrophobicContact CD-CB 4.05Å; K148-N161 HydrophobicContact CG-CB 4.14Å; K148-V162 CarbonylContact C-O 3.59Å; K148-V162 WeakPolarHBondContact CA-O 3.5Å; K148-L163 HydrophobicContact CB-CD2 4.17Å |
| 149 | I | 93 | Very high | 86 | Confident | 70 Ų | 70 | 78.5 Ų | 78.5 | 36% | 0.359 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.6 | 178.7 | -55.9 | 175.3 | 0 | 0 | 0 | 107.9 | I151 N161 V162 K164 | I149-I151 HydrophobicContact CG2-CG2 3.96Å; I149-N161 CarbonylContact O-C 3.52Å; I149-N161 WeakPolarHBondContact O-CA 3.21Å; I149-V162 HydrophobicContact CB-CB 4.5Å; I149-V162 PolarHBondContact N-O 2.92Å; I149-V162 PolarHBondContact O-N 2.69Å; I149-K164 HydrophobicContact CD1-CB 3.77Å; I149-K164 HydrophobicContact CD1-CD 3.8Å; I149-K164 HydrophobicContact CD1-CG 4.41Å; I149-K164 HydrophobicContact CG1-CB 4.43Å |
| 150 | V | 94.3 | Very high | 86.2 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 52% | 0.515 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 110.9 | 170.2 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | G152 P159 L160 | V150-G152 WeakPolarHBondContact CG1-O 3.42Å; V150-P159 HydrophobicContact CG1-CB 4.03Å; V150-L160 WeakPolarHBondContact CA-O 3.44Å |
| 151 | I | 93.3 | Very high | 86.9 | Confident | 103 Ų | 103 | 78.2 Ų | 78.2 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -8.7 | -176.8 | 60 | 163.9 | 0 | 0 | 0 | 113.1 | I149 L160 V162 W176 | I149-I151 HydrophobicContact CG2-CG2 3.96Å; I151-L160 HydrophobicContact CD1-CB 4.47Å; I151-L160 HydrophobicContact CG1-CB 3.84Å; I151-L160 WeakPolarHBondContact CG1-O 3.22Å; I151-L160 PolarHBondContact N-O 2.9Å; I151-V162 HydrophobicContact CB-CG2 4.46Å; I151-V162 HydrophobicContact CD1-CG2 3.72Å; I151-V162 HydrophobicContact CG1-CG2 3.94Å; I151-V162 HydrophobicContact CG2-CB 4.31Å; I151-V162 HydrophobicContact CG2-CG2 3.69Å; I151-W176 HydrophobicContact CD1-CH2 4.19Å |
| 152 | G | 93.3 | Very high | 87.6 | Confident | 29 Ų | 29 | 76.8 Ų | 76.8 | 30% | 0.299 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.9 | -163.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V150 L160 | V150-G152 WeakPolarHBondContact CG1-O 3.42Å; G152-L160 PolarHBondContact O-N 3.48Å |
| 153 | Q | 93.5 | Very high | 88.3 | Confident | 141 Ų | 141 | 75.8 Ų | 75.8 | 66% | 0.659 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.4 | 174.5 | -65.6 | 177.5 | -0.9 | 0 | 0 | 109.4 | R158 | Q153-R158 CarbonylContact C-O 3.48Å; Q153-R158 VanDerWaalsContact CA-O 3.26Å; Q153-R158 WeakPolarHBondContact CA-O 3.48Å |
| 154 | S | 87 | Confident | 88.8 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | trans | -64.5 | 166.5 | 167.1 | 62.3 | 0 | 0 | 0 | 0 | 111 | E156 G157 R158 | S154-E156 PolarHBondContact O-N 3.35Å; S154-G157 WeakPolarHBondContact O-CA 3.23Å; S154-G157 PolarHBondContact O-N 2.87Å; S154-R158 PolarHBondContact N-O 3.14Å; S154-R158 WeakPolarHBondContact OG-CB 3.44Å; S154-R158 PolarHBondContact OG-N 3.41Å; S154-R158 PolarHBondContact OG-O 3Å | ||
| 155 | Y | 84.5 | Confident | 89.5 | Confident | 236 Ų | 236 | 77.1 Ų | 77.1 | 93% | 0.925 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -36.9 | 175.6 | 179.8 | -96.3 | 0 | 0 | 0 | 112.9 | G157 | Y155-G157 PolarHBondContact O-N 3.39Š|
| 156 | E | 85.3 | Confident | 89.7 | Confident | 135 Ų | 135 | 75 Ų | 75 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 11.9 | 177.9 | -59 | -172.7 | 152.2 | 0 | 0 | 113.2 | S154 R158 | S154-E156 PolarHBondContact O-N 3.35Å; E156-R158 PolarHBondContact O-N 3.1Å; E156-R158 IonicContact OE2-CZ 3.33Å; E156-R158 IonicContact OE2-NH1 2.65Å; E156-R158 PolarHBondContact OE2-NH1 2.79Å; E156-R158 IonicContact OE2-NH2 3.59Å; E156-R158 PolarHBondContact OE2-NH2 3.46Å |
| 157 | G | 86.8 | Confident | 89.5 | Confident | 41 Ų | 41 | 80.4 Ų | 80.4 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 81.1 | 6.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S154 Y155 | S154-G157 WeakPolarHBondContact O-CA 3.23Å; S154-G157 PolarHBondContact O-N 2.87Å; Y155-G157 PolarHBondContact O-N 3.39Å |
| 158 | R | 88.5 | Confident | 88.8 | Confident | 110 Ų | 110 | 79.7 Ų | 79.7 | 42% | 0.415 | 42% | 0.418 | S | S | . | . | trans | -75.2 | 139.4 | 176.4 | -54.9 | -170.8 | -168.2 | 76 | 6.6 | 111.6 | Q153 S154 E156 | Q153-R158 CarbonylContact C-O 3.48Å; Q153-R158 VanDerWaalsContact CA-O 3.26Å; Q153-R158 WeakPolarHBondContact CA-O 3.48Å; S154-R158 PolarHBondContact N-O 3.14Å; S154-R158 WeakPolarHBondContact OG-CB 3.44Å; S154-R158 PolarHBondContact OG-N 3.41Å; S154-R158 PolarHBondContact OG-O 3Å; E156-R158 PolarHBondContact O-N 3.1Å; E156-R158 IonicContact OE2-CZ 3.33Å; E156-R158 IonicContact OE2-NH1 2.65Å; E156-R158 PolarHBondContact OE2-NH1 2.79Å; E156-R158 IonicContact OE2-NH2 3.59Å; E156-R158 PolarHBondContact OE2-NH2 3.46Å | ||
| 159 | P | 91.3 | Very high | 87.9 | Confident | 44 Ų | 44 | 79.4 Ų | 79.4 | 29% | 0.286 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 136 | -178 | 29.4 | -35.7 | 0 | 0 | 0 | 112.1 | Y132 V150 N161 | Y132-P159 HydrophobicContact CD2-CG 4.48Å; Y132-P159 HydrophobicContact CE2-CG 3.81Å; Y132-P159 PolarHBondContact OH-O 2.85Å; V150-P159 HydrophobicContact CG1-CB 4.03Å; P159-N161 PolarHBondContact O-N 3.06Å |
| 160 | L | 90.2 | Very high | 87.2 | Confident | 77 Ų | 77 | 81.4 Ų | 81.4 | 40% | 0.403 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 96.8 | 171.9 | -58.6 | 179.8 | 0 | 0 | 0 | 108.2 | V150 I151 G152 | V150-L160 WeakPolarHBondContact CA-O 3.44Å; I151-L160 HydrophobicContact CD1-CB 4.47Å; I151-L160 HydrophobicContact CG1-CB 3.84Å; I151-L160 WeakPolarHBondContact CG1-O 3.22Å; I151-L160 PolarHBondContact N-O 2.9Å; G152-L160 PolarHBondContact O-N 3.48Å |
| 161 | N | 90.1 | Very high | 86.6 | Confident | 28 Ų | 28 | 85.7 Ų | 85.7 | 15% | 0.15 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136.3 | -176.3 | -62.3 | -26.3 | 0 | 0 | 0 | 111.2 | Y132 Q135 K148 I149 P159 | Y132-N161 VanDerWaalsContact CD1-ND2 3.3Å; Y132-N161 WeakPolarHBondContact CD1-ND2 3.29Å; Y132-N161 WeakPolarHBondContact CE1-ND2 3.26Å; Q135-N161 PolarHBondContact OE1-ND2 3.37Å; K148-N161 HydrophobicContact CD-CB 4.05Å; K148-N161 HydrophobicContact CG-CB 4.14Å; I149-N161 CarbonylContact O-C 3.52Å; I149-N161 WeakPolarHBondContact O-CA 3.21Å; P159-N161 PolarHBondContact O-N 3.06Å |
| 162 | V | 90.1 | Very high | 86 | Confident | 32 Ų | 32 | 87.8 Ų | 87.8 | 19% | 0.194 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.4 | 170.4 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | K148 I149 I151 W176 | K148-V162 CarbonylContact C-O 3.59Å; K148-V162 WeakPolarHBondContact CA-O 3.5Å; I149-V162 HydrophobicContact CB-CB 4.5Å; I149-V162 PolarHBondContact N-O 2.92Å; I149-V162 PolarHBondContact O-N 2.69Å; I151-V162 HydrophobicContact CB-CG2 4.46Å; I151-V162 HydrophobicContact CD1-CG2 3.72Å; I151-V162 HydrophobicContact CG1-CG2 3.94Å; I151-V162 HydrophobicContact CG2-CB 4.31Å; I151-V162 HydrophobicContact CG2-CG2 3.69Å; V162-W176 HydrophobicContact CG1-CH2 4.29Å; V162-W176 HydrophobicContact CG1-CZ3 4.16Å; V162-W176 HydrophobicContact CG2-CH2 3.61Å; V162-W176 HydrophobicContact CG2-CZ2 4.47Å; V162-W176 HydrophobicContact CG2-CZ3 4.22Å |
| 163 | L | 90.1 | Very high | 85.6 | Confident | 40 Ų | 40 | 92.9 Ų | 92.9 | 21% | 0.209 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 115.5 | 167.9 | -69.5 | 173.3 | 0 | 0 | 0 | 109 | Q135 L138 V139 V146 S147 K148 F165 | Q135-L163 HydrophobicContact CB-CD1 4.36Å; Q135-L163 HydrophobicContact CB-CD2 4.07Å; Q135-L163 HydrophobicContact CB-CG 4.41Å; Q135-L163 HydrophobicContact CG-CD1 3.87Å; Q135-L163 HydrophobicContact CG-CD2 4.33Å; Q135-L163 HydrophobicContact CG-CG 4.12Å; L138-L163 HydrophobicContact CD2-CD1 3.75Å; V139-L163 HydrophobicContact CG2-CD2 3.73Å; V146-L163 HydrophobicContact CG1-CB 4.32Å; V146-L163 HydrophobicContact CG1-CD2 3.86Å; S147-L163 CarbonylContact O-C 3.43Å; S147-L163 WeakPolarHBondContact O-CA 3.33Å; K148-L163 HydrophobicContact CB-CD2 4.17Å; L163-F165 HydrophobicContact CB-CD2 4.45Å; L163-F165 HydrophobicContact CB-CE2 3.65Å; L163-F165 HydrophobicContact CB-CZ 4.15Å; L163-F165 HydrophobicContact CD1-CZ 4.4Å |
| 164 | K | 89.8 | Confident | 85.2 | Confident | 98 Ų | 98 | 90.9 Ų | 90.9 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119 | 174.2 | 174 | -176.3 | 175.9 | -174.8 | 0 | 109.4 | V146 S147 I149 | V146-K164 CarbonylContact C-O 3.56Å; V146-K164 WeakPolarHBondContact CA-O 3.14Å; S147-K164 PolarHBondContact N-O 3.13Å; S147-K164 PolarHBondContact O-N 2.83Å; S147-K164 PolarHBondContact OG-O 3.06Å; I149-K164 HydrophobicContact CD1-CB 3.77Å; I149-K164 HydrophobicContact CD1-CD 3.8Å; I149-K164 HydrophobicContact CD1-CG 4.41Å; I149-K164 HydrophobicContact CG1-CB 4.43Å |
| 165 | F | 88.9 | Confident | 85.1 | Confident | 118 Ų | 118 | 96.5 Ų | 96.5 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.8 | 172.5 | -59.5 | -100.9 | 0 | 0 | 0 | 109.1 | L138 L145 V146 L163 | L138-F165 HydrophobicContact CD2-CE1 4.15Å; L138-F165 HydrophobicContact CD2-CZ 3.9Å; L145-F165 CarbonylContact O-C 3.45Å; L145-F165 WeakPolarHBondContact O-CA 2.97Å; V146-F165 HydrophobicContact CB-CE1 4.42Å; V146-F165 HydrophobicContact CG1-CD1 4.43Å; V146-F165 HydrophobicContact CG1-CE1 4.06Å; V146-F165 HydrophobicContact CG1-CZ 4.17Å; V146-F165 HydrophobicContact CG2-CD1 3.51Å; V146-F165 HydrophobicContact CG2-CE1 3.46Å; V146-F165 VanDerWaalsContact CG2-CE1 3.46Å; V146-F165 HydrophobicContact CG2-CG 4.43Å; V146-F165 HydrophobicContact CG2-CZ 4.37Å; L163-F165 HydrophobicContact CB-CD2 4.45Å; L163-F165 HydrophobicContact CB-CE2 3.65Å; L163-F165 HydrophobicContact CB-CZ 4.15Å; L163-F165 HydrophobicContact CD1-CZ 4.4Å |
| 166 | S | 83.6 | Confident | 85.2 | Confident | 33 Ų | 33 | 93.3 Ų | 93.3 | 23% | 0.231 | 52% | 0.522 | C | S | . | . | trans | -160.4 | 135.5 | -175.3 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | L145 G168 | L145-S166 PolarHBondContact O-N 2.68Å; S166-G168 PolarHBondContact O-N 3.37Å; S166-G168 PolarHBondContact OG-N 3.26Å | ||
| 167 | T | 82.5 | Confident | 85 | Confident | 118 Ų | 118 | 93 Ų | 93 | 72% | 0.724 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -82.6 | 10.3 | 171.1 | 56 | 0 | 0 | 0 | 0 | 113.3 | L145 R172 | L145-T167 HydrophobicContact CD1-CG2 4.2Å; T167-R172 PolarHBondContact OG1-NH1 2.81Å |
| 168 | G | 77.6 | Confident | 84.8 | Confident | 32 Ų | 32 | 94.9 Ų | 94.9 | 33% | 0.33 | 52% | 0.524 | S | S | . | . | S | Bend | trans | 104.5 | -171.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S166 R172 | S166-G168 PolarHBondContact O-N 3.37Å; S166-G168 PolarHBondContact OG-N 3.26Å; G168-R172 PolarHBondContact O-NE 2.91Å; G168-R172 PolarHBondContact O-NH1 3.34Å |
| 169 | G | 72.6 | Confident | 84.2 | Confident | 58 Ų | 58 | 92.3 Ų | 92.3 | 60% | 0.598 | 52% | 0.52 | S | S | * | . | trans | 86.4 | 157.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 170 | S | 77.8 | Confident | 83.3 | Confident | 112 Ų | 112 | 91.3 Ų | 91.3 | 78% | 0.783 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -104.5 | 146.5 | 177.3 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | R172 | S170-R172 PolarHBondContact O-N 3.49Š|
| 171 | N | 82 | Confident | 82.6 | Confident | 175 Ų | 175 | 93.5 Ų | 93.5 | 94% | 0.936 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 59.8 | 35 | 171.9 | -134.6 | 33.8 | 0 | 0 | 0 | 116.3 | ||
| 172 | R | 81.6 | Confident | 81.9 | Confident | 147 Ų | 147 | 96.7 Ų | 96.7 | 56% | 0.555 | 54% | 0.543 | S | S | * | . | trans | -79.8 | 147.9 | 174.2 | -66.8 | -175.5 | 175.7 | 177.2 | 1.7 | 111.2 | T167 G168 S170 | T167-R172 PolarHBondContact OG1-NH1 2.81Å; G168-R172 PolarHBondContact O-NE 2.91Å; G168-R172 PolarHBondContact O-NH1 3.34Å; S170-R172 PolarHBondContact O-N 3.49Å | ||
| 173 | P | 84.8 | Confident | 80.9 | Confident | 137 Ų | 137 | 100.5 Ų | 100.5 | 89% | 0.89 | 57% | 0.571 | S | S | * | * | trans | -52.6 | 141.1 | 165.9 | -23.4 | 33.6 | 0 | 0 | 0 | 110.7 | ||||
| 174 | A | 84.1 | Confident | 79.9 | Confident | 99 Ų | 99 | 106.3 Ų | 106.3 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | trans | -128 | 148 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 175 | I | 85.4 | Confident | 79 | Confident | 157 Ų | 157 | 104.8 Ų | 104.8 | 81% | 0.805 | 58% | 0.584 | S | S | * | * | trans | -104.5 | 130.2 | 170.8 | -58.5 | 174.3 | 0 | 0 | 0 | 106.7 | I177 | I175-I177 HydrophobicContact CG2-CG1 4.08Š| ||
| 176 | W | 85.9 | Confident | 78 | Confident | 168 Ų | 168 | 104 Ų | 104 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | trans | -100.2 | 124.9 | 173 | -175.2 | -88.8 | 0 | 0 | 0 | 109.2 | I151 V162 | I151-W176 HydrophobicContact CD1-CH2 4.19Å; V162-W176 HydrophobicContact CG1-CH2 4.29Å; V162-W176 HydrophobicContact CG1-CZ3 4.16Å; V162-W176 HydrophobicContact CG2-CH2 3.61Å; V162-W176 HydrophobicContact CG2-CZ2 4.47Å; V162-W176 HydrophobicContact CG2-CZ3 4.22Å | ||
| 177 | I | 81.1 | Confident | 77.3 | Confident | 129 Ų | 129 | 106.3 Ų | 106.3 | 66% | 0.662 | 59% | 0.59 | S | S | * | * | trans | -119.4 | 118 | 174.7 | -54.7 | 176.8 | 0 | 0 | 0 | 106.5 | I175 T179 | I175-I177 HydrophobicContact CG2-CG1 4.08Å; I177-T179 HydrophobicContact CG2-CG2 4.06Å | ||
| 178 | D | 82 | Confident | 76.7 | Confident | 80 Ų | 80 | 102.7 Ų | 102.7 | 43% | 0.428 | 57% | 0.568 | S | S | . | * | trans | -99.1 | 129.3 | 173.6 | -171.5 | -69.8 | 0 | 0 | 0 | 109.4 | G180 I181 | D178-G180 PolarHBondContact OD1-N 2.98Å; D178-I181 WeakPolarHBondContact OD1-CB 3.44Å; D178-I181 PolarHBondContact OD1-N 2.92Å | ||
| 179 | T | 76 | Confident | 76.3 | Confident | 56 Ų | 56 | 103.7 Ų | 103.7 | 34% | 0.344 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -129.1 | 63.5 | 178.6 | 59.7 | 0 | 0 | 0 | 0 | 110 | I177 T188 Q189 | I177-T179 HydrophobicContact CG2-CG2 4.06Å; T179-T188 WeakPolarHBondContact CB-O 3.41Å; T179-Q189 WeakPolarHBondContact O-CG 3.34Å |
| 180 | G | 73.1 | Confident | 76 | Confident | 23 Ų | 23 | 102 Ų | 102 | 24% | 0.237 | 55% | 0.545 | C | S | . | . | trans | 149 | 26.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | D178 H182 | D178-G180 PolarHBondContact OD1-N 2.98Å; G180-H182 VanDerWaalsContact C-N 3.27Å; G180-H182 PolarHBondContact O-N 3.41Å | ||
| 181 | I | 75.3 | Confident | 75.5 | Confident | 123 Ų | 123 | 99.2 Ų | 99.2 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -58.8 | -33.5 | -179.6 | -161.6 | 159 | 0 | 0 | 0 | 114.1 | D178 | D178-I181 WeakPolarHBondContact OD1-CB 3.44Å; D178-I181 PolarHBondContact OD1-N 2.92Å |
| 182 | H | 75 | Confident | 74.7 | Confident | 95 Ų | 95 | 92 Ų | 92 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -97.5 | 125.5 | 172.9 | -53.2 | 122.9 | 0 | 0 | 0 | 110.6 | G180 R184 E185 | G180-H182 VanDerWaalsContact C-N 3.27Å; G180-H182 PolarHBondContact O-N 3.41Å; H182-R184 HydrophobicContact CB-CG 4.4Å; H182-R184 PolarHBondContact O-N 3.32Å; H182-E185 HydrophobicContact CB-CG 3.92Å; H182-E185 IonicContact CE1-OE1 2.58Å; H182-E185 IonicContact CG-OE1 3.11Å; H182-E185 IonicContact CG-OE2 3.66Å; H182-E185 IonicContact ND1-OE1 2.91Å; H182-E185 PolarHBondContact ND1-OE1 3.45Å; H182-E185 IonicContact ND1-OE2 3.8Å; H182-E185 PolarHBondContact ND1-OE2 3.29Å; H182-E185 PolarHBondContact O-N 3.16Å |
| 183 | S | 69.8 | Low | 74 | Confident | 112 Ų | 112 | 85.7 Ų | 85.7 | 78% | 0.783 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -7.7 | -175.7 | -49.3 | 0 | 0 | 0 | 0 | 115.4 | W186 | S183-W186 PolarHBondContact O-NE1 3.46Š|
| 184 | R | 68.6 | Low | 72.8 | Confident | 162 Ų | 162 | 85.4 Ų | 85.4 | 61% | 0.611 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -0.3 | 177.7 | 62.4 | -177.6 | 174.5 | -177.6 | 1.1 | 114.3 | V53 H182 | V53-R184 PolarHBondContact O-NH1 3.13Å; H182-R184 HydrophobicContact CB-CG 4.4Å; H182-R184 PolarHBondContact O-N 3.32Å |
| 185 | E | 71.3 | Confident | 71.8 | Confident | 66 Ų | 66 | 88.6 Ų | 88.6 | 31% | 0.308 | 45% | 0.446 | S | S | . | . | trans | -103.6 | 66.8 | -174.2 | -69 | 175.2 | 173 | 0 | 0 | 112.6 | H182 V187 T188 | H182-E185 HydrophobicContact CB-CG 3.92Å; H182-E185 IonicContact CE1-OE1 2.58Å; H182-E185 IonicContact CG-OE1 3.11Å; H182-E185 IonicContact CG-OE2 3.66Å; H182-E185 IonicContact ND1-OE1 2.91Å; H182-E185 PolarHBondContact ND1-OE1 3.45Å; H182-E185 IonicContact ND1-OE2 3.8Å; H182-E185 PolarHBondContact ND1-OE2 3.29Å; H182-E185 PolarHBondContact O-N 3.16Å; E185-V187 PolarHBondContact O-N 3.42Å; E185-T188 HydrophobicContact CB-CG2 4.08Å; E185-T188 PolarHBondContact O-N 3.15Å; E185-T188 PolarHBondContact O-OG1 2.91Å | ||
| 186 | W | 68.1 | Low | 70.5 | Confident | 103 Ų | 103 | 82.7 Ų | 82.7 | 39% | 0.39 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.2 | -24.6 | -173.1 | -68.2 | 25 | 0 | 0 | 0 | 113 | M105 Y125 S183 T188 Q189 A190 | M105-W186 HydrophobicContact CE-CH2 4.29Å; M105-W186 HydrophobicContact CE-CZ3 3.61Å; M105-W186 HydrophobicContact SD-CE3 4.5Å; M105-W186 HydrophobicContact SD-CH2 4.36Å; M105-W186 HydrophobicContact SD-CZ3 3.57Å; M105-W186 VanDerWaalsContact SD-CZ3 3.57Å; Y125-W186 HydrophobicContact CD1-CB 3.72Å; Y125-W186 HydrophobicContact CD1-CE3 4.46Å; Y125-W186 HydrophobicContact CD2-CE3 4.25Å; Y125-W186 HydrophobicContact CE1-CB 3.73Å; Y125-W186 HydrophobicContact CG-CB 4.29Å; Y125-W186 AromaticContact CG-CE3 3.94Å; Y125-W186 HydrophobicContact CG-CE3 3.94Å; S183-W186 PolarHBondContact O-NE1 3.46Å; W186-T188 VanDerWaalsContact C-N 3.35Å; W186-T188 PolarHBondContact O-N 3.25Å; W186-Q189 PolarHBondContact O-N 3.48Å; W186-A190 PolarHBondContact O-N 2.68Å |
| 187 | V | 68.3 | Low | 69.3 | Low | 81 Ų | 81 | 77.1 Ų | 77.1 | 49% | 0.491 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.8 | -30.8 | 176.9 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | E185 A190 S191 | E185-V187 PolarHBondContact O-N 3.42Å; V187-A190 PolarHBondContact O-N 3.23Å; V187-S191 WeakPolarHBondContact O-CB 3.4Å; V187-S191 PolarHBondContact O-N 2.87Å; V187-S191 PolarHBondContact O-OG 3.46Å |
| 188 | T | 70.8 | Confident | 68.7 | Low | 41 Ų | 41 | 75.9 Ų | 75.9 | 25% | 0.252 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.4 | -38.6 | -178.5 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | T179 E185 W186 S191 G192 | T179-T188 WeakPolarHBondContact CB-O 3.41Å; E185-T188 HydrophobicContact CB-CG2 4.08Å; E185-T188 PolarHBondContact O-N 3.15Å; E185-T188 PolarHBondContact O-OG1 2.91Å; W186-T188 VanDerWaalsContact C-N 3.35Å; W186-T188 PolarHBondContact O-N 3.25Å; T188-S191 PolarHBondContact O-N 3.01Å; T188-G192 PolarHBondContact O-N 3.18Å |
| 189 | Q | 68.6 | Low | 68.6 | Low | 53 Ų | 53 | 74.5 Ų | 74.5 | 25% | 0.248 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 173.3 | -66 | 173.2 | 3.3 | 0 | 0 | 111.5 | I131 T179 W186 S191 G192 L193 | I131-Q189 HydrophobicContact CD1-CB 4.35Å; T179-Q189 WeakPolarHBondContact O-CG 3.34Å; W186-Q189 PolarHBondContact O-N 3.48Å; Q189-S191 VanDerWaalsContact C-N 3.33Å; Q189-S191 PolarHBondContact O-N 2.85Å; Q189-G192 PolarHBondContact O-N 3.4Å; Q189-L193 WeakPolarHBondContact O-CG 3.48Å; Q189-L193 PolarHBondContact O-N 2.91Å |
| 190 | A | 65.7 | Low | 69.1 | Low | 23 Ų | 23 | 71.9 Ų | 71.9 | 19% | 0.19 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W186 V187 G192 L193 W194 | W186-A190 PolarHBondContact O-N 2.68Å; V187-A190 PolarHBondContact O-N 3.23Å; A190-G192 VanDerWaalsContact C-N 3.31Å; A190-G192 PolarHBondContact O-N 2.86Å; A190-L193 WeakPolarHBondContact O-CB 3.02Å; A190-L193 PolarHBondContact O-N 3.42Å; A190-W194 PolarHBondContact O-N 2.77Å |
| 191 | S | 67.2 | Low | 69.7 | Low | 54 Ų | 54 | 76.5 Ų | 76.5 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 175.9 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | V187 T188 Q189 L193 W194 F195 | V187-S191 WeakPolarHBondContact O-CB 3.4Å; V187-S191 PolarHBondContact O-N 2.87Å; V187-S191 PolarHBondContact O-OG 3.46Å; T188-S191 PolarHBondContact O-N 3.01Å; Q189-S191 VanDerWaalsContact C-N 3.33Å; Q189-S191 PolarHBondContact O-N 2.85Å; S191-L193 VanDerWaalsContact C-N 3.29Å; S191-L193 PolarHBondContact O-N 2.87Å; S191-W194 PolarHBondContact O-N 2.75Å; S191-F195 WeakPolarHBondContact O-CD2 3.34Å; S191-F195 PolarHBondContact O-N 2.66Å |
| 192 | G | 66.4 | Low | 70.4 | Confident | 24 Ų | 24 | 72.1 Ų | 72.1 | 25% | 0.247 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -35.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T188 Q189 A190 | T188-G192 PolarHBondContact O-N 3.18Å; Q189-G192 PolarHBondContact O-N 3.4Å; A190-G192 VanDerWaalsContact C-N 3.31Å; A190-G192 PolarHBondContact O-N 2.86Å |
| 193 | L | 65.6 | Low | 71.3 | Confident | 14 Ų | 14 | 68.7 Ų | 68.7 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -71.5 | -41 | 178.3 | -58.9 | 170.7 | 0 | 0 | 0 | 111.2 | F120 Y122 F134 Q189 A190 S191 F195 A196 | F120-L193 HydrophobicContact CD1-CD1 4.33Å; F120-L193 HydrophobicContact CE1-CD1 3.53Å; F120-L193 HydrophobicContact CZ-CD1 4.13Å; Y122-L193 HydrophobicContact CD1-CB 3.74Å; Y122-L193 VanDerWaalsContact CE1-C 3.47Å; Y122-L193 HydrophobicContact CE1-CB 3.74Å; Y122-L193 WeakPolarHBondContact CE1-O 3.47Å; F134-L193 HydrophobicContact CB-CD2 4.38Å; F134-L193 HydrophobicContact CD1-CD2 3.14Å; F134-L193 HydrophobicContact CD2-CD2 4.2Å; F134-L193 HydrophobicContact CE1-CB 4.48Å; F134-L193 HydrophobicContact CE1-CD2 3.25Å; F134-L193 HydrophobicContact CE1-CG 4.46Å; F134-L193 HydrophobicContact CE2-CD2 4.27Å; F134-L193 HydrophobicContact CG-CD2 3.65Å; F134-L193 HydrophobicContact CZ-CB 4.32Å; F134-L193 HydrophobicContact CZ-CD2 3.83Å; Q189-L193 WeakPolarHBondContact O-CG 3.48Å; Q189-L193 PolarHBondContact O-N 2.91Å; A190-L193 WeakPolarHBondContact O-CB 3.02Å; A190-L193 PolarHBondContact O-N 3.42Å; S191-L193 VanDerWaalsContact C-N 3.29Å; S191-L193 PolarHBondContact O-N 2.87Å; L193-F195 VanDerWaalsContact C-N 3.31Å; L193-F195 PolarHBondContact O-N 2.83Å; L193-A196 WeakPolarHBondContact O-CB 3.08Å; L193-A196 PolarHBondContact O-N 3Å |
| 194 | W | 61.1 | Low | 72.6 | Confident | 130 Ų | 130 | 64.8 Ų | 64.8 | 49% | 0.492 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -36.6 | -179 | -174.9 | -103.4 | 0 | 0 | 0 | 113.5 | Y122 A190 S191 A196 K197 | Y122-W194 HydrophobicContact CD1-CE3 4.4Å; Y122-W194 HydrophobicContact CD2-CE3 4.49Å; Y122-W194 AromaticContact CG-CE3 3.95Å; Y122-W194 HydrophobicContact CG-CE3 3.95Å; Y122-W194 HydrophobicContact CG-CZ3 4.4Å; A190-W194 PolarHBondContact O-N 2.77Å; S191-W194 PolarHBondContact O-N 2.75Å; W194-A196 PolarHBondContact O-N 2.9Å; W194-K197 HydrophobicContact CZ3-CD 4.4Å; W194-K197 PolarHBondContact O-N 2.85Å |
| 195 | F | 62.3 | Low | 73.9 | Confident | 166 Ų | 166 | 57 Ų | 57 | 73% | 0.728 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -12.9 | 178.6 | -71 | -56.8 | 0 | 0 | 0 | 114.7 | S191 L193 | S191-F195 WeakPolarHBondContact O-CD2 3.34Å; S191-F195 PolarHBondContact O-N 2.66Å; L193-F195 VanDerWaalsContact C-N 3.31Å; L193-F195 PolarHBondContact O-N 2.83Å |
| 196 | A | 57.4 | Low | 75 | Confident | 34 Ų | 34 | 53.9 Ų | 53.9 | 28% | 0.281 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -6.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F134 L138 L193 W194 | F134-A196 HydrophobicContact CZ-CB 4.25Å; L138-A196 HydrophobicContact CD1-CB 3.93Å; L138-A196 HydrophobicContact CD2-CB 4.07Å; L193-A196 WeakPolarHBondContact O-CB 3.08Å; L193-A196 PolarHBondContact O-N 3Å; W194-A196 PolarHBondContact O-N 2.9Å |
| 197 | K | 61.1 | Low | 76.3 | Confident | 50 Ų | 50 | 51.5 Ų | 51.5 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -85 | 140.1 | -174.9 | -174.4 | 175.5 | -179.4 | 175.8 | 0 | 112.7 | W194 T199 | W194-K197 HydrophobicContact CZ3-CD 4.4Å; W194-K197 PolarHBondContact O-N 2.85Å; K197-T199 PolarHBondContact O-N 3.32Å |
| 198 | K | 68.1 | Low | 77.5 | Confident | 104 Ų | 104 | 47.7 Ų | 47.7 | 45% | 0.452 | 25% | 0.247 | S | C | . | . | trans | -73 | 123.6 | 172 | -166.1 | 170.9 | -175.1 | 178 | 0 | 110.8 | D415 | K198-D415 HydrophobicContact CD-CB 4.36Å; K198-D415 IonicContact NZ-OD2 3.85Å; K198-D415 PolarHBondContact NZ-OD2 3.39Å | ||
| 199 | T | 80.2 | Confident | 78.5 | Confident | 50 Ų | 50 | 48.1 Ų | 48.1 | 31% | 0.307 | 25% | 0.25 | S | C | . | . | trans | -121 | 166.1 | 174.9 | 66.1 | 0 | 0 | 0 | 0 | 110.5 | K197 | K197-T199 PolarHBondContact O-N 3.32Š| ||
| 200 | F | 86.2 | Confident | 79.6 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | trans | -120.5 | 25.5 | 176.5 | -62.2 | -85 | 0 | 0 | 0 | 111.6 | G202 H203 V273 Q274 L277 D415 M417 | F200-G202 PolarHBondContact O-N 2.92Å; F200-H203 VanDerWaalsContact CA-CD2 3.41Å; F200-H203 WeakPolarHBondContact CA-CD2 3.09Å; F200-H203 HydrophobicContact CB-CB 4.31Å; F200-H203 WeakPolarHBondContact O-CB 3.18Å; F200-H203 PolarHBondContact O-CD2 3.12Å; F200-H203 PolarHBondContact O-N 2.77Å; F200-V273 HydrophobicContact CB-CB 4.06Å; F200-V273 HydrophobicContact CB-CG1 3.85Å; F200-V273 HydrophobicContact CG-CG1 4.18Å; F200-Q274 HydrophobicContact CB-CB 4.49Å; F200-L277 HydrophobicContact CB-CD1 4.13Å; F200-L277 HydrophobicContact CD2-CD1 3.29Å; F200-L277 HydrophobicContact CE2-CD1 3.98Å; F200-L277 HydrophobicContact CG-CD1 3.99Å; F200-D415 WeakPolarHBondContact CZ-OD1 3.14Å; F200-M417 HydrophobicContact CD1-CG 4.39Å; F200-M417 HydrophobicContact CE1-CB 4.21Å; F200-M417 HydrophobicContact CE1-CG 3.65Å; F200-M417 HydrophobicContact CE2-CG 4.3Å; F200-M417 HydrophobicContact CZ-CB 4Å; F200-M417 HydrophobicContact CZ-CG 3.59Å | ||
| 201 | E | 87.5 | Confident | 80.9 | Confident | 120 Ų | 120 | 49.3 Ų | 49.3 | 56% | 0.561 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 123.8 | -178.3 | -72.6 | 177.7 | -165 | 0 | 0 | 110.3 | H203 Q274 | E201-H203 PolarHBondContact O-N 3.38Å; E201-Q274 HydrophobicContact CG-CB 4.09Å; E201-Q274 HydrophobicContact CG-CG 3.75Å |
| 202 | G | 89.4 | Confident | 82.1 | Confident | 31 Ų | 31 | 50 Ų | 50 | 32% | 0.32 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 5.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F200 D272 | F200-G202 PolarHBondContact O-N 2.92Å; G202-D272 PolarHBondContact N-OD1 3.32Å |
| 203 | H | 94.1 | Very high | 83.3 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 11% | 0.106 | 27% | 0.267 | C | S | . | . | trans | -67.7 | 134.8 | 168.8 | -76.2 | -111.1 | 0 | 0 | 0 | 109.9 | F200 E201 R246 V247 P248 P249 D272 V273 | F200-H203 VanDerWaalsContact CA-CD2 3.41Å; F200-H203 WeakPolarHBondContact CA-CD2 3.09Å; F200-H203 HydrophobicContact CB-CB 4.31Å; F200-H203 WeakPolarHBondContact O-CB 3.18Å; F200-H203 PolarHBondContact O-CD2 3.12Å; F200-H203 PolarHBondContact O-N 2.77Å; E201-H203 PolarHBondContact O-N 3.38Å; H203-R246 HydrophobicContact CB-CG 4.3Å; H203-R246 PolarHBondContact CE1-NH1 3.48Å; H203-R246 PolarHBondContact ND1-NH1 2.99Å; H203-V247 WeakPolarHBondContact CA-O 3.19Å; H203-P248 VanDerWaalsContact CE1-CA 3.4Å; H203-P248 WeakPolarHBondContact CE1-CA 3.35Å; H203-P248 WeakPolarHBondContact ND1-CA 3.38Å; H203-P249 WeakPolarHBondContact CD2-CD 3.49Å; H203-P249 WeakPolarHBondContact NE2-CD 3.28Å; H203-D272 WeakPolarHBondContact O-CA 3.46Å; H203-V273 HydrophobicContact CB-CB 4.09Å; H203-V273 HydrophobicContact CB-CG2 4.06Å; H203-V273 WeakPolarHBondContact O-CG2 3.46Å; H203-V273 PolarHBondContact O-N 3Å | ||
| 204 | Q | 96.6 | Very high | 84.4 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 150.3 | 174.4 | -62.4 | -159.2 | -34.6 | 0 | 0 | 110.9 | L206 R246 V247 L252 T268 I270 E271 | Q204-L206 HydrophobicContact CB-CD2 4.2Å; Q204-R246 CarbonylContact O-C 3.56Å; Q204-R246 WeakPolarHBondContact O-CA 3.25Å; Q204-V247 PolarHBondContact N-O 3.47Å; Q204-V247 VanDerWaalsContact N-O 3.16Å; Q204-V247 PolarHBondContact O-N 3.28Å; Q204-L252 HydrophobicContact CB-CD1 3.93Å; Q204-L252 HydrophobicContact CB-CD2 4.43Å; Q204-L252 HydrophobicContact CG-CD1 4.15Å; Q204-L252 HydrophobicContact CG-CD2 3.74Å; Q204-T268 HydrophobicContact CB-CG2 4.42Å; Q204-I270 VanDerWaalsContact CA-O 3.29Å; Q204-I270 WeakPolarHBondContact CA-O 3.46Å; Q204-E271 WeakPolarHBondContact CG-O 3.07Å; Q204-E271 PolarHBondContact NE2-O 3.41Å |
| 205 | V | 95.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.4 | 163.6 | -176.6 | 0 | 0 | 0 | 0 | 108.3 | W233 D244 V245 R246 M269 I270 V273 | V205-W233 HydrophobicContact CG1-CD2 4.39Å; V205-W233 HydrophobicContact CG1-CE3 4.12Å; V205-W233 HydrophobicContact CG1-CZ3 4.46Å; V205-W233 HydrophobicContact CG2-CD2 4.32Å; V205-W233 HydrophobicContact CG2-CE3 4.2Å; V205-W233 HydrophobicContact CG2-CH2 3.74Å; V205-W233 HydrophobicContact CG2-CZ2 3.86Å; V205-W233 HydrophobicContact CG2-CZ3 3.92Å; V205-D244 HydrophobicContact CG1-CB 4.47Å; V205-V245 CarbonylContact C-O 3.45Å; V205-V245 WeakPolarHBondContact CA-O 3.36Å; V205-R246 HydrophobicContact CG2-CB 4.11Å; V205-R246 HydrophobicContact CG2-CG 4.38Å; V205-M269 HydrophobicContact CB-CB 4.41Å; V205-M269 HydrophobicContact CG1-CB 4.38Å; V205-M269 HydrophobicContact CG1-SD 4.26Å; V205-M269 WeakPolarHBondContact O-CB 3.31Å; V205-M269 PolarHBondContact O-N 3.41Å; V205-I270 HydrophobicContact CB-CB 3.95Å; V205-I270 HydrophobicContact CB-CD1 4.23Å; V205-I270 HydrophobicContact CB-CG1 4.27Å; V205-I270 HydrophobicContact CG2-CB 4.04Å; V205-I270 HydrophobicContact CG2-CD1 3.92Å; V205-I270 HydrophobicContact CG2-CG1 4.38Å; V205-I270 PolarHBondContact N-O 3.15Å; V205-I270 PolarHBondContact O-N 3.47Å; V205-V273 HydrophobicContact CG2-CG2 3.84Å |
| 206 | L | 95.9 | Very high | 87 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 137 | 177.8 | -54.7 | -173.9 | 0 | 0 | 0 | 109.8 | Q204 D244 V245 V247 L252 F255 K256 L259 Y266 S267 T268 | Q204-L206 HydrophobicContact CB-CD2 4.2Å; L206-D244 WeakPolarHBondContact O-CA 3.38Å; L206-V245 PolarHBondContact N-O 3.34Å; L206-V245 PolarHBondContact O-N 3.07Å; L206-V247 HydrophobicContact CD1-CG2 3.98Å; L206-V247 HydrophobicContact CG-CG2 4.03Å; L206-L252 HydrophobicContact CD1-CD1 4.36Å; L206-F255 HydrophobicContact CD1-CD1 4.04Å; L206-F255 HydrophobicContact CD1-CE1 4.2Å; L206-K256 HydrophobicContact CD1-CG 4.23Å; L206-L259 HydrophobicContact CD1-CD1 4.22Å; L206-Y266 HydrophobicContact CD1-CD2 4.21Å; L206-Y266 HydrophobicContact CD2-CD2 4.4Å; L206-S267 CarbonylContact C-O 3.56Å; L206-S267 WeakPolarHBondContact CA-O 3.46Å; L206-T268 HydrophobicContact CD2-CG2 4.35Å |
| 207 | R | 94.3 | Very high | 88.3 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 20% | 0.2 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.5 | 167.5 | 170 | 160 | -72.7 | 179.5 | -4.1 | 109.5 | V209 P242 V243 D244 Y266 S267 M269 T566 | R207-V209 HydrophobicContact CG-CG2 4.43Å; R207-P242 HydrophobicContact CG-CB 3.84Å; R207-V243 CarbonylContact C-O 3.57Å; R207-V243 WeakPolarHBondContact CA-O 3.23Å; R207-D244 WeakPolarHBondContact CB-OD1 3.41Å; R207-D244 IonicContact CZ-OD1 3.83Å; R207-D244 IonicContact CZ-OD2 2.77Å; R207-D244 IonicContact NE-OD1 3.6Å; R207-D244 PolarHBondContact NE-OD1 2.97Å; R207-D244 IonicContact NE-OD2 3.74Å; R207-D244 IonicContact NH2-OD1 2.78Å; R207-D244 PolarHBondContact NH2-OD1 2.65Å; R207-D244 IonicContact NH2-OD2 2.79Å; R207-D244 PolarHBondContact NH2-OD2 3.34Å; R207-Y266 CarbonylContact O-C 3.58Å; R207-Y266 WeakPolarHBondContact O-CA 3.46Å; R207-S267 PolarHBondContact N-O 3.04Å; R207-S267 PolarHBondContact O-N 3.5Å; R207-M269 HydrophobicContact CB-CG 3.54Å; R207-M269 HydrophobicContact CB-SD 3.64Å; R207-M269 VanDerWaalsContact NH2-CE 3.3Å; R207-T566 PolarHBondContact NH1-O 3.36Å; R207-T566 PolarHBondContact NH2-O 2.85Å |
| 208 | I | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.3 | -177.9 | -52.3 | 160.3 | 0 | 0 | 0 | 108.5 | L219 P242 V243 V245 F255 L259 L264 E265 | I208-L219 HydrophobicContact CB-CD1 4.4Å; I208-L219 HydrophobicContact CD1-CD2 4.03Å; I208-L219 HydrophobicContact CG2-CD1 3.8Å; I208-L219 HydrophobicContact CG2-CD2 4.1Å; I208-P242 CarbonylContact O-C 3.58Å; I208-P242 WeakPolarHBondContact O-CA 3.14Å; I208-V243 PolarHBondContact N-O 2.88Å; I208-V243 PolarHBondContact O-N 3.25Å; I208-V245 HydrophobicContact CD1-CG2 4.33Å; I208-F255 HydrophobicContact CD1-CE1 4.06Å; I208-F255 HydrophobicContact CD1-CZ 3.92Å; I208-L259 HydrophobicContact CD1-CD1 4.01Å; I208-L259 HydrophobicContact CD1-CD2 3.89Å; I208-L259 HydrophobicContact CG1-CD1 4.09Å; I208-L259 HydrophobicContact CG1-CD2 4.39Å; I208-L259 HydrophobicContact CG2-CD2 4.37Å; I208-L264 HydrophobicContact CG2-CB 4.27Å; I208-L264 HydrophobicContact CG2-CD2 4.07Å; I208-E265 WeakPolarHBondContact CA-O 3.38Å |
| 209 | V | 91.8 | Very high | 90.2 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 30% | 0.303 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 102.5 | 179.3 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | R207 K211 P242 E265 | R207-V209 HydrophobicContact CG-CG2 4.43Å; V209-K211 PolarHBondContact O-N 2.81Å; V209-P242 HydrophobicContact CG2-CB 4.47Å; V209-E265 PolarHBondContact N-O 3.28Å; V209-E265 VanDerWaalsContact N-O 3.1Å |
| 210 | P | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -70.9 | 130.5 | 178.6 | 28.3 | -32.1 | 0 | 0 | 0 | 110.6 | Q215 L216 L219 S240 Y241 | P210-Q215 HydrophobicContact CB-CB 3.89Å; P210-L216 HydrophobicContact CB-CB 4.4Å; P210-L216 HydrophobicContact CB-CD1 4.18Å; P210-L216 HydrophobicContact CG-CD1 3.59Å; P210-L219 HydrophobicContact CB-CD1 4.03Å; P210-L219 HydrophobicContact CG-CD1 4.05Å; P210-S240 WeakPolarHBondContact O-CA 3.38Å; P210-S240 PolarHBondContact O-N 2.88Å; P210-Y241 VanDerWaalsContact CD-O 3.32Å; P210-Y241 WeakPolarHBondContact CD-O 3.37Å | ||
| 211 | K | 93.8 | Very high | 89.6 | Confident | 102 Ų | 102 | 49.9 Ų | 49.9 | 44% | 0.443 | 26% | 0.259 | S | S | . | . | trans | -91.7 | -15.1 | -177.6 | -63 | 176.5 | 179.7 | 173.9 | 0 | 114 | V209 V239 E265 | V209-K211 PolarHBondContact O-N 2.81Å; K211-V239 VanDerWaalsContact C-CG1 3.4Å; K211-V239 VanDerWaalsContact O-CG1 3.28Å; K211-V239 WeakPolarHBondContact O-CG1 3.26Å; K211-E265 WeakPolarHBondContact CE-OE1 3.19Å; K211-E265 WeakPolarHBondContact CE-OE2 3.44Å; K211-E265 IonicContact NZ-OE1 2.68Å; K211-E265 PolarHBondContact NZ-OE1 3.42Å; K211-E265 IonicContact NZ-OE2 3.73Å; K211-E265 PolarHBondContact NZ-OE2 3.41Å | ||
| 212 | N | 92.3 | Very high | 88.4 | Confident | 69 Ų | 69 | 49 Ų | 49 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -153.7 | 170.6 | -177.9 | 59 | 58.2 | 0 | 0 | 0 | 111.4 | L214 Q215 L216 | N212-L214 VanDerWaalsContact C-N 3.27Å; N212-L214 PolarHBondContact O-N 3Å; N212-L214 WeakPolarHBondContact OD1-CB 3.4Å; N212-L214 PolarHBondContact OD1-N 3.08Å; N212-L214 VanDerWaalsContact OD1-N 3.15Å; N212-Q215 PolarHBondContact O-N 2.76Å; N212-Q215 PolarHBondContact OD1-N 2.59Å; N212-L216 PolarHBondContact O-N 2.95Å |
| 213 | E | 89.8 | Confident | 86.8 | Confident | 130 Ų | 130 | 54.6 Ų | 54.6 | 61% | 0.607 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.3 | -29.7 | -177.8 | -68.2 | -62.2 | 156.6 | 0 | 0 | 113.6 | L216 A217 V239 | E213-L216 PolarHBondContact O-N 3Å; E213-L216 WeakPolarHBondContact OE2-CD2 3.38Å; E213-A217 WeakPolarHBondContact O-CB 3.25Å; E213-A217 PolarHBondContact O-N 2.82Å; E213-V239 HydrophobicContact CG-CG2 4.26Å; E213-V239 WeakPolarHBondContact OE1-CG2 3.22Å |
| 214 | L | 90.4 | Very high | 85.4 | Confident | 132 Ų | 132 | 55.5 Ų | 55.5 | 69% | 0.691 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.2 | -49.9 | 176.3 | -174.9 | 103.9 | 0 | 0 | 0 | 110.1 | N212 L216 A217 L218 | N212-L214 VanDerWaalsContact C-N 3.27Å; N212-L214 PolarHBondContact O-N 3Å; N212-L214 WeakPolarHBondContact OD1-CB 3.4Å; N212-L214 PolarHBondContact OD1-N 3.08Å; N212-L214 VanDerWaalsContact OD1-N 3.15Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 3.13Å; L214-A217 WeakPolarHBondContact O-CB 3.14Å; L214-A217 PolarHBondContact O-N 2.78Å; L214-A217 VanDerWaalsContact O-N 3.17Å; L214-L218 WeakPolarHBondContact O-CG 3.49Å; L214-L218 PolarHBondContact O-N 3.28Å |
| 215 | Q | 91 | Very high | 84.1 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 175.1 | -77 | -175.2 | -10.2 | 0 | 0 | 112.3 | P210 N212 A217 L218 L219 H262 D263 L264 | P210-Q215 HydrophobicContact CB-CB 3.89Å; N212-Q215 PolarHBondContact O-N 2.76Å; N212-Q215 PolarHBondContact OD1-N 2.59Å; Q215-A217 VanDerWaalsContact C-N 3.31Å; Q215-A217 PolarHBondContact O-N 3.22Å; Q215-L218 PolarHBondContact O-N 3.46Å; Q215-L219 WeakPolarHBondContact O-CG 3.33Å; Q215-L219 PolarHBondContact O-N 2.77Å; Q215-H262 PolarHBondContact NE2-O 3.01Å; Q215-H262 VanDerWaalsContact NE2-O 3.16Å; Q215-D263 VanDerWaalsContact NE2-C 3.32Å; Q215-D263 PolarHBondContact NE2-O 3.4Å; Q215-L264 HydrophobicContact CB-CD2 3.62Å; Q215-L264 HydrophobicContact CG-CD2 3.73Å; Q215-L264 HydrophobicContact CG-CG 4.2Å |
| 216 | L | 85.9 | Confident | 82.9 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.6 | -164.2 | 75.2 | 0 | 0 | 0 | 111.8 | P210 N212 E213 L214 L219 K220 V236 G238 V239 | P210-L216 HydrophobicContact CB-CB 4.4Å; P210-L216 HydrophobicContact CB-CD1 4.18Å; P210-L216 HydrophobicContact CG-CD1 3.59Å; N212-L216 PolarHBondContact O-N 2.95Å; E213-L216 PolarHBondContact O-N 3Å; E213-L216 WeakPolarHBondContact OE2-CD2 3.38Å; L214-L216 VanDerWaalsContact C-N 3.31Å; L214-L216 PolarHBondContact O-N 3.13Å; L216-L219 PolarHBondContact O-N 2.88Å; L216-K220 WeakPolarHBondContact O-CG 3.3Å; L216-K220 PolarHBondContact O-N 3.03Å; L216-V236 HydrophobicContact CD1-CG1 3.11Å; L216-V236 HydrophobicContact CD2-CG1 4.47Å; L216-V236 HydrophobicContact CG-CG1 3.6Å; L216-G238 WeakPolarHBondContact CD1-O 3.49Å; L216-V239 HydrophobicContact CB-CG2 4.41Å; L216-V239 HydrophobicContact CD2-CG2 4.31Å |
| 217 | A | 85.8 | Confident | 82.1 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 49% | 0.488 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E213 L214 Q215 L219 K220 N221 | E213-A217 WeakPolarHBondContact O-CB 3.25Å; E213-A217 PolarHBondContact O-N 2.82Å; L214-A217 WeakPolarHBondContact O-CB 3.14Å; L214-A217 PolarHBondContact O-N 2.78Å; L214-A217 VanDerWaalsContact O-N 3.17Å; Q215-A217 VanDerWaalsContact C-N 3.31Å; Q215-A217 PolarHBondContact O-N 3.22Å; A217-L219 VanDerWaalsContact C-N 3.35Å; A217-L219 PolarHBondContact O-N 3.4Å; A217-K220 PolarHBondContact O-N 3.13Å; A217-N221 PolarHBondContact O-N 3.01Å |
| 218 | L | 86.4 | Confident | 81.5 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 174.1 | -68.4 | 172.7 | 0 | 0 | 0 | 111.6 | L214 Q215 K220 N221 H262 | L214-L218 WeakPolarHBondContact O-CG 3.49Å; L214-L218 PolarHBondContact O-N 3.28Å; Q215-L218 PolarHBondContact O-N 3.46Å; L218-K220 VanDerWaalsContact C-N 3.26Å; L218-K220 PolarHBondContact O-N 3.14Å; L218-N221 WeakPolarHBondContact O-CB 3.35Å; L218-N221 PolarHBondContact O-N 3.06Å; L218-H262 HydrophobicContact CD1-CB 3.84Å |
| 219 | L | 82.6 | Confident | 81.1 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 11% | 0.11 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.6 | -18.5 | 178.6 | -63.5 | 176 | 0 | 0 | 0 | 113.8 | I208 P210 Q215 L216 A217 N221 V236 V243 L259 L264 | I208-L219 HydrophobicContact CB-CD1 4.4Å; I208-L219 HydrophobicContact CD1-CD2 4.03Å; I208-L219 HydrophobicContact CG2-CD1 3.8Å; I208-L219 HydrophobicContact CG2-CD2 4.1Å; P210-L219 HydrophobicContact CB-CD1 4.03Å; P210-L219 HydrophobicContact CG-CD1 4.05Å; Q215-L219 WeakPolarHBondContact O-CG 3.33Å; Q215-L219 PolarHBondContact O-N 2.77Å; L216-L219 PolarHBondContact O-N 2.88Å; A217-L219 VanDerWaalsContact C-N 3.35Å; A217-L219 PolarHBondContact O-N 3.4Å; L219-N221 VanDerWaalsContact C-N 3.34Å; L219-V236 HydrophobicContact CB-CG2 3.89Å; L219-V243 HydrophobicContact CD1-CB 4.43Å; L219-V243 HydrophobicContact CD1-CG2 4.01Å; L219-L259 HydrophobicContact CD2-CD2 4.46Å; L219-L264 HydrophobicContact CD1-CD2 4.17Å; L219-L264 HydrophobicContact CD2-CD1 4.12Å; L219-L264 HydrophobicContact CG-CD2 4.29Å |
| 220 | K | 77.3 | Confident | 80.9 | Confident | 115 Ų | 115 | 69.4 Ų | 69.4 | 50% | 0.5 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -10.9 | 174.2 | -76 | 176.9 | 178.9 | 177.1 | 0 | 112.9 | L216 A217 L218 Q222 V236 | L216-K220 WeakPolarHBondContact O-CG 3.3Å; L216-K220 PolarHBondContact O-N 3.03Å; A217-K220 PolarHBondContact O-N 3.13Å; L218-K220 VanDerWaalsContact C-N 3.26Å; L218-K220 PolarHBondContact O-N 3.14Å; K220-Q222 PolarHBondContact O-N 3.01Å; K220-Q222 VanDerWaalsContact O-N 3.17Å; K220-V236 HydrophobicContact CD-CG1 4.31Å; K220-V236 HydrophobicContact CG-CB 3.9Å; K220-V236 HydrophobicContact CG-CG1 3.85Å; K220-V236 HydrophobicContact CG-CG2 4.02Å |
| 221 | N | 76.5 | Confident | 80.8 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | trans | -69.9 | 113.3 | -175.8 | -168.8 | -5.5 | 0 | 0 | 0 | 110.7 | A217 L218 L219 E223 E224 I225 | A217-N221 PolarHBondContact O-N 3.01Å; L218-N221 WeakPolarHBondContact O-CB 3.35Å; L218-N221 PolarHBondContact O-N 3.06Å; L219-N221 VanDerWaalsContact C-N 3.34Å; N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.19Å; N221-E223 PolarHBondContact OD1-N 2.99Å; N221-E223 VanDerWaalsContact OD1-N 3.12Å; N221-E224 HydrophobicContact CB-CB 4.49Å; N221-E224 HydrophobicContact CB-CG 3.94Å; N221-E224 PolarHBondContact O-N 3.37Å; N221-I225 PolarHBondContact O-N 2.8Å | ||
| 222 | Q | 61.4 | Low | 80.4 | Confident | 101 Ų | 101 | 67.1 Ų | 67.1 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -70.1 | -24.4 | -178.8 | -70.3 | -170.4 | -10.1 | 0 | 0 | 113.1 | K220 I225 V226 | K220-Q222 PolarHBondContact O-N 3.01Å; K220-Q222 VanDerWaalsContact O-N 3.17Å; Q222-I225 PolarHBondContact O-N 2.82Å; Q222-V226 WeakPolarHBondContact O-CG2 3.42Å; Q222-V226 PolarHBondContact O-N 3.05Å; Q222-V226 VanDerWaalsContact O-N 3.13Å |
| 223 | E | 56.8 | Low | 80.2 | Confident | 149 Ų | 149 | 64.6 Ų | 64.6 | 70% | 0.696 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.2 | -43.9 | 177.1 | -66 | -178.9 | 167 | 0 | 0 | 110.5 | N221 I225 V226 E227 | N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.19Å; N221-E223 PolarHBondContact OD1-N 2.99Å; N221-E223 VanDerWaalsContact OD1-N 3.12Å; E223-I225 VanDerWaalsContact C-N 3.34Å; E223-I225 PolarHBondContact O-N 2.83Å; E223-V226 PolarHBondContact O-N 3.29Å; E223-V226 VanDerWaalsContact O-N 3.16Å; E223-E227 WeakPolarHBondContact O-CB 3.34Å; E223-E227 PolarHBondContact O-N 3.33Å |
| 224 | E | 64.6 | Low | 79.9 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 176 | -58.9 | -67 | 164.7 | 0 | 0 | 112 | N221 V226 E227 F228 | N221-E224 HydrophobicContact CB-CB 4.49Å; N221-E224 HydrophobicContact CB-CG 3.94Å; N221-E224 PolarHBondContact O-N 3.37Å; E224-V226 VanDerWaalsContact C-N 3.27Å; E224-V226 PolarHBondContact O-N 2.8Å; E224-E227 PolarHBondContact O-N 3.42Å; E224-F228 HydrophobicContact CB-CD2 4.43Å; E224-F228 VanDerWaalsContact O-CD2 3.26Å; E224-F228 WeakPolarHBondContact O-CD2 3.31Å; E224-F228 PolarHBondContact O-N 3.37Å; E224-F228 WeakPolarHBondContact OE2-CE2 3.45Å |
| 225 | I | 68.5 | Low | 79.2 | Confident | 49 Ų | 49 | 53.8 Ų | 53.8 | 25% | 0.251 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.2 | -67.8 | 173.6 | 0 | 0 | 0 | 110.8 | N221 Q222 E223 E229 L230 V232 | N221-I225 PolarHBondContact O-N 2.8Å; Q222-I225 PolarHBondContact O-N 2.82Å; E223-I225 VanDerWaalsContact C-N 3.34Å; E223-I225 PolarHBondContact O-N 2.83Å; I225-E229 PolarHBondContact O-N 3.3Å; I225-L230 HydrophobicContact CB-CB 4.49Å; I225-L230 HydrophobicContact CG1-CD1 4.43Å; I225-L230 HydrophobicContact CG2-CB 4.17Å; I225-L230 PolarHBondContact O-N 3.37Å; I225-V232 HydrophobicContact CD1-CG2 4.13Å |
| 226 | V | 70.8 | Confident | 78.5 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -75.1 | -43.4 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | Q222 E223 E224 F228 E229 | Q222-V226 WeakPolarHBondContact O-CG2 3.42Å; Q222-V226 PolarHBondContact O-N 3.05Å; Q222-V226 VanDerWaalsContact O-N 3.13Å; E223-V226 PolarHBondContact O-N 3.29Å; E223-V226 VanDerWaalsContact O-N 3.16Å; E224-V226 VanDerWaalsContact C-N 3.27Å; E224-V226 PolarHBondContact O-N 2.8Å; V226-F228 PolarHBondContact O-N 3.25Å; V226-E229 PolarHBondContact O-N 2.96Å |
| 227 | E | 78.6 | Confident | 78 | Confident | 135 Ų | 135 | 55.8 Ų | 55.8 | 63% | 0.631 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61 | -43.5 | -179.2 | -178.4 | 170.7 | 175.9 | 0 | 0 | 112.3 | E223 E224 | E223-E227 WeakPolarHBondContact O-CB 3.34Å; E223-E227 PolarHBondContact O-N 3.33Å; E224-E227 PolarHBondContact O-N 3.42Å |
| 228 | F | 82.6 | Confident | 77.5 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 1.3 | -180 | -64.9 | -60.6 | 0 | 0 | 0 | 114.2 | E224 V226 L230 T251 T254 F255 Y258 | E224-F228 HydrophobicContact CB-CD2 4.43Å; E224-F228 VanDerWaalsContact O-CD2 3.26Å; E224-F228 WeakPolarHBondContact O-CD2 3.31Å; E224-F228 PolarHBondContact O-N 3.37Å; E224-F228 WeakPolarHBondContact OE2-CE2 3.45Å; V226-F228 PolarHBondContact O-N 3.25Å; F228-L230 VanDerWaalsContact C-N 3.28Å; F228-L230 HydrophobicContact CB-CD1 4.16Å; F228-L230 HydrophobicContact CB-CD2 3.56Å; F228-L230 HydrophobicContact CB-CG 3.63Å; F228-L230 PolarHBondContact O-N 3.46Å; F228-T251 PolarHBondContact O-OG1 3.45Å; F228-T254 HydrophobicContact CE1-CG2 3.83Å; F228-F255 HydrophobicContact CB-CD2 4.28Å; F228-F255 HydrophobicContact CD1-CB 4.04Å; F228-F255 HydrophobicContact CD1-CD2 4.29Å; F228-F255 AromaticContact CD2-CD2 3.47Å; F228-F255 HydrophobicContact CD2-CD2 3.47Å; F228-F255 VanDerWaalsContact CD2-CD2 3.47Å; F228-F255 HydrophobicContact CD2-CE2 4.01Å; F228-F255 HydrophobicContact CD2-CG 4.45Å; F228-F255 HydrophobicContact CE1-CB 4.33Å; F228-F255 AromaticContact CE2-CD2 3.75Å; F228-F255 HydrophobicContact CE2-CD2 3.75Å; F228-F255 HydrophobicContact CE2-CE2 4.36Å; F228-F255 HydrophobicContact CG-CB 4.25Å; F228-F255 AromaticContact CG-CD2 3.77Å; F228-F255 HydrophobicContact CG-CD2 3.77Å; F228-F255 HydrophobicContact CG-CG 4.34Å; F228-F255 HydrophobicContact CZ-CD2 4.29Å; F228-Y258 HydrophobicContact CE2-CD1 4.3Å; F228-Y258 HydrophobicContact CE2-CD2 4.33Å; F228-Y258 HydrophobicContact CE2-CG 4.07Å; F228-Y258 HydrophobicContact CZ-CD2 4.41Å; F228-Y258 HydrophobicContact CZ-CG 4.17Å |
| 229 | E | 85.5 | Confident | 77.4 | Confident | 118 Ų | 118 | 53.6 Ų | 53.6 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 42.8 | -175.8 | -59.1 | -175.2 | -179.5 | 0 | 0 | 113 | I225 V226 P248 H250 | I225-E229 PolarHBondContact O-N 3.3Å; V226-E229 PolarHBondContact O-N 2.96Å; E229-P248 HydrophobicContact CB-CG 4.03Å; E229-H250 IonicContact OE1-NE2 3.34Å; E229-H250 IonicContact OE2-CE1 3.96Å; E229-H250 PolarHBondContact OE2-CE1 3.48Å; E229-H250 IonicContact OE2-NE2 3.68Å |
| 230 | L | 87 | Confident | 77.6 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | trans | -74.5 | 132.7 | -174.4 | -58.6 | -177 | 0 | 0 | 0 | 111.7 | I225 F228 V245 V247 F255 | I225-L230 HydrophobicContact CB-CB 4.49Å; I225-L230 HydrophobicContact CG1-CD1 4.43Å; I225-L230 HydrophobicContact CG2-CB 4.17Å; I225-L230 PolarHBondContact O-N 3.37Å; F228-L230 VanDerWaalsContact C-N 3.28Å; F228-L230 HydrophobicContact CB-CD1 4.16Å; F228-L230 HydrophobicContact CB-CD2 3.56Å; F228-L230 HydrophobicContact CB-CG 3.63Å; F228-L230 PolarHBondContact O-N 3.46Å; L230-V245 HydrophobicContact CB-CG1 3.58Å; L230-V245 HydrophobicContact CD1-CG1 4.09Å; L230-V245 HydrophobicContact CD2-CG1 3.83Å; L230-V245 HydrophobicContact CG-CG1 4Å; L230-V247 HydrophobicContact CD2-CB 4.41Å; L230-V247 HydrophobicContact CD2-CG1 4.04Å; L230-V247 HydrophobicContact CD2-CG2 4.02Å; L230-F255 HydrophobicContact CD1-CD2 4.28Å; L230-F255 HydrophobicContact CD1-CE1 4.38Å; L230-F255 HydrophobicContact CD1-CE2 3.6Å; L230-F255 HydrophobicContact CD1-CZ 3.65Å; L230-F255 HydrophobicContact CD2-CD1 4.23Å; L230-F255 HydrophobicContact CD2-CD2 4.38Å; L230-F255 HydrophobicContact CD2-CE1 4.16Å; L230-F255 HydrophobicContact CD2-CE2 4.34Å; L230-F255 HydrophobicContact CD2-CG 4.32Å; L230-F255 HydrophobicContact CD2-CZ 4.23Å | ||
| 231 | D | 88.4 | Confident | 77.9 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 105.5 | 168.5 | 165.4 | 30.5 | 0 | 0 | 0 | 109.4 | W233 R246 R363 | D231-W233 PolarHBondContact O-N 3.01Å; D231-W233 PolarHBondContact OD2-NE1 3.02Å; D231-R246 HydrophobicContact CB-CB 4.16Å; D231-R246 PolarHBondContact N-O 3.11Å; D231-R246 VanDerWaalsContact N-O 3.1Å; D231-R246 PolarHBondContact O-N 2.7Å; D231-R246 IonicContact OD2-CZ 2.63Å; D231-R246 IonicContact OD2-NE 2.86Å; D231-R246 PolarHBondContact OD2-NE 2.88Å; D231-R246 IonicContact OD2-NH2 3.42Å; D231-R246 PolarHBondContact OD2-NH2 2.77Å; D231-R363 IonicContact OD1-CZ 3.08Å; D231-R363 IonicContact OD1-NH1 2.77Å; D231-R363 PolarHBondContact OD1-NH1 2.8Å; D231-R363 IonicContact OD1-NH2 2.59Å; D231-R363 IonicContact OD2-NH1 3.83Å |
| 232 | V | 87.1 | Confident | 78.5 | Confident | 44 Ų | 44 | 55 Ų | 55 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 111.9 | -176.8 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | I225 M234 V245 R363 | I225-V232 HydrophobicContact CD1-CG2 4.13Å; V232-M234 WeakPolarHBondContact CG1-O 3.28Å; V232-V245 HydrophobicContact CG2-CG2 4.49Å; V232-R363 PolarHBondContact O-NH2 3.28Å |
| 233 | W | 87.9 | Confident | 79.8 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 6% | 0.064 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -42.7 | 177.3 | -74.3 | 20.7 | 0 | 0 | 0 | 111.4 | V205 D231 D244 R246 I270 M417 Y490 F571 L572 | V205-W233 HydrophobicContact CG1-CD2 4.39Å; V205-W233 HydrophobicContact CG1-CE3 4.12Å; V205-W233 HydrophobicContact CG1-CZ3 4.46Å; V205-W233 HydrophobicContact CG2-CD2 4.32Å; V205-W233 HydrophobicContact CG2-CE3 4.2Å; V205-W233 HydrophobicContact CG2-CH2 3.74Å; V205-W233 HydrophobicContact CG2-CZ2 3.86Å; V205-W233 HydrophobicContact CG2-CZ3 3.92Å; D231-W233 PolarHBondContact O-N 3.01Å; D231-W233 PolarHBondContact OD2-NE1 3.02Å; W233-D244 HydrophobicContact CB-CB 4.17Å; W233-D244 PolarHBondContact N-O 3Å; W233-R246 HydrophobicContact CZ2-CB 4.45Å; W233-I270 HydrophobicContact CH2-CD1 3.95Å; W233-I270 HydrophobicContact CZ3-CD1 3.77Å; W233-M417 HydrophobicContact CH2-SD 4.34Å; W233-M417 HydrophobicContact CZ2-CE 4.4Å; W233-M417 HydrophobicContact CZ2-SD 3.44Å; W233-M417 WeakPolarHBondContact CZ2-SD 3.23Å; W233-Y490 HydrophobicContact CB-CE1 4.13Å; W233-Y490 VanDerWaalsContact CB-OH 3.3Å; W233-Y490 WeakPolarHBondContact CB-OH 3.32Å; W233-Y490 HydrophobicContact CE3-CE1 4.22Å; W233-F571 HydrophobicContact CB-CE2 3.69Å; W233-F571 HydrophobicContact CB-CZ 4.24Å; W233-F571 AromaticContact CD1-CE2 3.71Å; W233-F571 AromaticContact CD2-CD2 3.65Å; W233-F571 HydrophobicContact CD2-CD2 3.65Å; W233-F571 AromaticContact CD2-CE2 3.66Å; W233-F571 HydrophobicContact CD2-CE2 3.66Å; W233-F571 AromaticContact CE2-CD2 3.82Å; W233-F571 AromaticContact CE3-CD2 3.96Å; W233-F571 HydrophobicContact CE3-CD2 3.96Å; W233-F571 HydrophobicContact CE3-CE2 4.22Å; W233-F571 AromaticContact CG-CD2 3.94Å; W233-F571 HydrophobicContact CG-CD2 3.94Å; W233-F571 AromaticContact CG-CE2 3.42Å; W233-F571 HydrophobicContact CG-CE2 3.42Å; W233-F571 VanDerWaalsContact CG-CE2 3.42Å; W233-F571 HydrophobicContact CG-CZ 4.41Å; W233-F571 HydrophobicContact CZ2-CD2 4.3Å; W233-F571 HydrophobicContact CZ3-CD2 4.4Å; W233-L572 HydrophobicContact CH2-CD1 4.38Å; W233-L572 HydrophobicContact CH2-CG 4.4Å |
| 234 | M | 82.4 | Confident | 81.5 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 116.4 | 172.8 | -173.3 | 179.2 | -56.2 | 0 | 0 | 109.3 | V232 P242 V243 D244 Y490 S491 | V232-M234 WeakPolarHBondContact CG1-O 3.28Å; M234-P242 HydrophobicContact SD-CG 4.07Å; M234-V243 WeakPolarHBondContact O-CA 3.46Å; M234-V243 VanDerWaalsContact O-CG1 3.32Å; M234-V243 WeakPolarHBondContact O-CG1 3.22Å; M234-D244 HydrophobicContact CB-CB 3.81Å; M234-D244 PolarHBondContact N-O 2.89Å; M234-D244 VanDerWaalsContact N-O 3.08Å; M234-D244 PolarHBondContact O-N 3.39Å; M234-D244 VanDerWaalsContact O-N 3.16Å; M234-Y490 HydrophobicContact CE-CD2 4.23Å; M234-Y490 HydrophobicContact CE-CE2 3.54Å; M234-S491 VanDerWaalsContact CE-OG 3.32Å; M234-S491 WeakPolarHBondContact CE-OG 3.45Å |
| 235 | G | 77.2 | Confident | 82.8 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | trans | -73 | 169 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | T237 | G235-T237 WeakPolarHBondContact O-CG2 3.48Å; G235-T237 PolarHBondContact O-N 2.74Å; G235-T237 VanDerWaalsContact O-N 3.15Å | ||
| 236 | V | 75.8 | Confident | 84 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | trans | -71.1 | 108.1 | -178.5 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | L216 L219 K220 V243 | L216-V236 HydrophobicContact CD1-CG1 3.11Å; L216-V236 HydrophobicContact CD2-CG1 4.47Å; L216-V236 HydrophobicContact CG-CG1 3.6Å; L219-V236 HydrophobicContact CB-CG2 3.89Å; K220-V236 HydrophobicContact CD-CG1 4.31Å; K220-V236 HydrophobicContact CG-CB 3.9Å; K220-V236 HydrophobicContact CG-CG1 3.85Å; K220-V236 HydrophobicContact CG-CG2 4.02Å; V236-V243 HydrophobicContact CB-CG2 4.41Å; V236-V243 HydrophobicContact CG2-CG1 4.27Å; V236-V243 HydrophobicContact CG2-CG2 4.02Å | ||
| 237 | T | 74.1 | Confident | 85.1 | Confident | 31 Ų | 31 | 36.1 Ų | 36.1 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | trans | -93.7 | -47.7 | -176.4 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | G235 Y241 I539 Y540 | G235-T237 WeakPolarHBondContact O-CG2 3.48Å; G235-T237 PolarHBondContact O-N 2.74Å; G235-T237 VanDerWaalsContact O-N 3.15Å; T237-Y241 WeakPolarHBondContact OG1-CB 3.26Å; T237-I539 WeakPolarHBondContact CA-O 3.38Å; T237-I539 WeakPolarHBondContact CB-O 3.48Å; T237-I539 HydrophobicContact CG2-CG1 4.19Å; T237-I539 WeakPolarHBondContact CG2-O 3.48Å; T237-Y540 HydrophobicContact CG2-CD1 4.07Å | ||
| 238 | G | 76.3 | Confident | 85.6 | Confident | 15 Ų | 15 | 29.8 Ų | 29.8 | 16% | 0.155 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 176.9 | 176.5 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | L216 Y241 | L216-G238 WeakPolarHBondContact CD1-O 3.49Å; G238-Y241 PolarHBondContact O-N 2.91Å |
| 239 | V | 85 | Confident | 86 | Confident | 38 Ų | 38 | 32.1 Ų | 32.1 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 141.1 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | K211 E213 L216 Y241 | K211-V239 VanDerWaalsContact C-CG1 3.4Å; K211-V239 VanDerWaalsContact O-CG1 3.28Å; K211-V239 WeakPolarHBondContact O-CG1 3.26Å; E213-V239 HydrophobicContact CG-CG2 4.26Å; E213-V239 WeakPolarHBondContact OE1-CG2 3.22Å; L216-V239 HydrophobicContact CB-CG2 4.41Å; L216-V239 HydrophobicContact CD2-CG2 4.31Å; V239-Y241 WeakPolarHBondContact O-CD2 3.31Å; V239-Y241 PolarHBondContact O-N 3.1Å |
| 240 | S | 85.5 | Confident | 86.2 | Confident | 86 Ų | 86 | 32.5 Ų | 32.5 | 60% | 0.601 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67 | 5.7 | -178.6 | -52.6 | 0 | 0 | 0 | 0 | 116.2 | P210 | P210-S240 WeakPolarHBondContact O-CA 3.38Å; P210-S240 PolarHBondContact O-N 2.88Å |
| 241 | Y | 84.3 | Confident | 86.4 | Confident | 103 Ų | 103 | 32.2 Ų | 32.2 | 40% | 0.404 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -101.5 | 141.6 | 172.4 | -70.4 | -84 | 0 | 0 | 0 | 110.9 | P210 T237 G238 V239 | P210-Y241 VanDerWaalsContact CD-O 3.32Å; P210-Y241 WeakPolarHBondContact CD-O 3.37Å; T237-Y241 WeakPolarHBondContact OG1-CB 3.26Å; G238-Y241 PolarHBondContact O-N 2.91Å; V239-Y241 WeakPolarHBondContact O-CD2 3.31Å; V239-Y241 PolarHBondContact O-N 3.1Å |
| 242 | P | 88.7 | Confident | 86.6 | Confident | 35 Ų | 35 | 32.4 Ų | 32.4 | 23% | 0.227 | 18% | 0.184 | C | C | . | . | trans | -67.8 | 148.2 | -176.4 | 28.4 | -34.5 | 0 | 0 | 0 | 112.4 | R207 I208 V209 M234 | R207-P242 HydrophobicContact CG-CB 3.84Å; I208-P242 CarbonylContact O-C 3.58Å; I208-P242 WeakPolarHBondContact O-CA 3.14Å; V209-P242 HydrophobicContact CG2-CB 4.47Å; M234-P242 HydrophobicContact SD-CG 4.07Å | ||
| 243 | V | 89.4 | Confident | 86.9 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 123.3 | 168.5 | -176.8 | 0 | 0 | 0 | 0 | 106.6 | R207 I208 L219 M234 V236 V245 | R207-V243 CarbonylContact C-O 3.57Å; R207-V243 WeakPolarHBondContact CA-O 3.23Å; I208-V243 PolarHBondContact N-O 2.88Å; I208-V243 PolarHBondContact O-N 3.25Å; L219-V243 HydrophobicContact CD1-CB 4.43Å; L219-V243 HydrophobicContact CD1-CG2 4.01Å; M234-V243 WeakPolarHBondContact O-CA 3.46Å; M234-V243 VanDerWaalsContact O-CG1 3.32Å; M234-V243 WeakPolarHBondContact O-CG1 3.22Å; V236-V243 HydrophobicContact CB-CG2 4.41Å; V236-V243 HydrophobicContact CG2-CG1 4.27Å; V236-V243 HydrophobicContact CG2-CG2 4.02Å; V243-V245 HydrophobicContact CG1-CG2 3.89Å |
| 244 | D | 91.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125.4 | -177.5 | -60.3 | -21.5 | 0 | 0 | 0 | 108.7 | V205 L206 R207 W233 M234 M269 Y490 | V205-D244 HydrophobicContact CG1-CB 4.47Å; L206-D244 WeakPolarHBondContact O-CA 3.38Å; R207-D244 WeakPolarHBondContact CB-OD1 3.41Å; R207-D244 IonicContact CZ-OD1 3.83Å; R207-D244 IonicContact CZ-OD2 2.77Å; R207-D244 IonicContact NE-OD1 3.6Å; R207-D244 PolarHBondContact NE-OD1 2.97Å; R207-D244 IonicContact NE-OD2 3.74Å; R207-D244 IonicContact NH2-OD1 2.78Å; R207-D244 PolarHBondContact NH2-OD1 2.65Å; R207-D244 IonicContact NH2-OD2 2.79Å; R207-D244 PolarHBondContact NH2-OD2 3.34Å; W233-D244 HydrophobicContact CB-CB 4.17Å; W233-D244 PolarHBondContact N-O 3Å; M234-D244 HydrophobicContact CB-CB 3.81Å; M234-D244 PolarHBondContact N-O 2.89Å; M234-D244 VanDerWaalsContact N-O 3.08Å; M234-D244 PolarHBondContact O-N 3.39Å; M234-D244 VanDerWaalsContact O-N 3.16Å; D244-M269 HydrophobicContact CB-SD 4.19Å; D244-M269 VanDerWaalsContact CG-SD 3.51Å; D244-M269 VanDerWaalsContact OD1-SD 3.39Å; D244-Y490 WeakPolarHBondContact CB-OH 3.42Å; D244-Y490 PolarHBondContact OD2-OH 3.19Å; D244-Y490 VanDerWaalsContact OD2-OH 3.1Å |
| 245 | V | 92.8 | Very high | 87.7 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.9 | -172.9 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | V205 L206 I208 L230 V232 V243 V247 | V205-V245 CarbonylContact C-O 3.45Å; V205-V245 WeakPolarHBondContact CA-O 3.36Å; L206-V245 PolarHBondContact N-O 3.34Å; L206-V245 PolarHBondContact O-N 3.07Å; I208-V245 HydrophobicContact CD1-CG2 4.33Å; L230-V245 HydrophobicContact CB-CG1 3.58Å; L230-V245 HydrophobicContact CD1-CG1 4.09Å; L230-V245 HydrophobicContact CD2-CG1 3.83Å; L230-V245 HydrophobicContact CG-CG1 4Å; V232-V245 HydrophobicContact CG2-CG2 4.49Å; V243-V245 HydrophobicContact CG1-CG2 3.89Å; V245-V247 HydrophobicContact CG1-CG2 4.32Å |
| 246 | R | 94.1 | Very high | 88.6 | Confident | 23 Ų | 23 | 39.1 Ų | 39.1 | 9% | 0.087 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 126.4 | 168 | -179 | -173 | 65.5 | 85.1 | 10.4 | 109.5 | H203 Q204 V205 D231 W233 V273 | H203-R246 HydrophobicContact CB-CG 4.3Å; H203-R246 PolarHBondContact CE1-NH1 3.48Å; H203-R246 PolarHBondContact ND1-NH1 2.99Å; Q204-R246 CarbonylContact O-C 3.56Å; Q204-R246 WeakPolarHBondContact O-CA 3.25Å; V205-R246 HydrophobicContact CG2-CB 4.11Å; V205-R246 HydrophobicContact CG2-CG 4.38Å; D231-R246 HydrophobicContact CB-CB 4.16Å; D231-R246 PolarHBondContact N-O 3.11Å; D231-R246 VanDerWaalsContact N-O 3.1Å; D231-R246 PolarHBondContact O-N 2.7Å; D231-R246 IonicContact OD2-CZ 2.63Å; D231-R246 IonicContact OD2-NE 2.86Å; D231-R246 PolarHBondContact OD2-NE 2.88Å; D231-R246 IonicContact OD2-NH2 3.42Å; D231-R246 PolarHBondContact OD2-NH2 2.77Å; W233-R246 HydrophobicContact CZ2-CB 4.45Å; R246-V273 HydrophobicContact CG-CG2 4.34Å |
| 247 | V | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.5 | -175.8 | -166.2 | 0 | 0 | 0 | 0 | 109.4 | H203 Q204 L206 L230 V245 L252 F255 | H203-V247 WeakPolarHBondContact CA-O 3.19Å; Q204-V247 PolarHBondContact N-O 3.47Å; Q204-V247 VanDerWaalsContact N-O 3.16Å; Q204-V247 PolarHBondContact O-N 3.28Å; L206-V247 HydrophobicContact CD1-CG2 3.98Å; L206-V247 HydrophobicContact CG-CG2 4.03Å; L230-V247 HydrophobicContact CD2-CB 4.41Å; L230-V247 HydrophobicContact CD2-CG1 4.04Å; L230-V247 HydrophobicContact CD2-CG2 4.02Å; V245-V247 HydrophobicContact CG1-CG2 4.32Å; V247-L252 HydrophobicContact CB-CD1 3.99Å; V247-L252 HydrophobicContact CG1-CB 4.39Å; V247-L252 HydrophobicContact CG1-CD1 4.08Å; V247-F255 HydrophobicContact CB-CD1 4.49Å; V247-F255 HydrophobicContact CG1-CB 4.14Å; V247-F255 HydrophobicContact CG1-CD1 3.99Å; V247-F255 HydrophobicContact CG1-CG 4.35Å; V247-F255 HydrophobicContact CG2-CD1 3.66Å; V247-F255 HydrophobicContact CG2-CE1 3.86Å |
| 248 | P | 88.9 | Confident | 90.4 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | trans | -62.3 | 148.7 | 172 | -22.8 | 33.6 | 0 | 0 | 0 | 114.2 | H203 E229 H250 T251 L252 | H203-P248 VanDerWaalsContact CE1-CA 3.4Å; H203-P248 WeakPolarHBondContact CE1-CA 3.35Å; H203-P248 WeakPolarHBondContact ND1-CA 3.38Å; E229-P248 HydrophobicContact CB-CG 4.03Å; P248-H250 VanDerWaalsContact CB-CE1 3.41Å; P248-H250 WeakPolarHBondContact CB-CE1 3.45Å; P248-H250 WeakPolarHBondContact CB-ND1 3.38Å; P248-H250 PolarHBondContact O-N 2.91Å; P248-T251 WeakPolarHBondContact CD-OG1 3.4Å; P248-T251 PolarHBondContact O-N 2.87Å; P248-T251 VanDerWaalsContact O-N 3.17Å; P248-T251 PolarHBondContact O-OG1 2.89Å; P248-L252 WeakPolarHBondContact O-CB 3.3Å; P248-L252 PolarHBondContact O-N 2.91Å | ||
| 249 | P | 91.1 | Very high | 91.3 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.6 | -32.2 | -177.8 | 24.7 | -36.2 | 0 | 0 | 0 | 112.8 | H203 | H203-P249 WeakPolarHBondContact CD2-CD 3.49Å; H203-P249 WeakPolarHBondContact NE2-CD 3.28Å |
| 250 | H | 88.2 | Confident | 91.8 | Very high | 126 Ų | 126 | 43 Ų | 43 | 58% | 0.583 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -76.2 | -20.3 | -177.4 | 69.7 | -88.1 | 0 | 0 | 0 | 113.6 | E229 P248 | E229-H250 IonicContact OE1-NE2 3.34Å; E229-H250 IonicContact OE2-CE1 3.96Å; E229-H250 PolarHBondContact OE2-CE1 3.48Å; E229-H250 IonicContact OE2-NE2 3.68Å; P248-H250 VanDerWaalsContact CB-CE1 3.41Å; P248-H250 WeakPolarHBondContact CB-CE1 3.45Å; P248-H250 WeakPolarHBondContact CB-ND1 3.38Å; P248-H250 PolarHBondContact O-N 2.91Å |
| 251 | T | 91.4 | Very high | 92.2 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 9% | 0.086 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -106.1 | -9.9 | 174 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | F228 P248 E253 T254 F255 | F228-T251 PolarHBondContact O-OG1 3.45Å; P248-T251 WeakPolarHBondContact CD-OG1 3.4Å; P248-T251 PolarHBondContact O-N 2.87Å; P248-T251 VanDerWaalsContact O-N 3.17Å; P248-T251 PolarHBondContact O-OG1 2.89Å; T251-E253 PolarHBondContact O-N 2.96Å; T251-T254 PolarHBondContact O-N 2.76Å; T251-F255 WeakPolarHBondContact O-CB 3.3Å; T251-F255 PolarHBondContact O-N 2.95Å |
| 252 | L | 92.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.2 | -53.8 | -170.8 | -178.2 | 63.5 | 0 | 0 | 0 | 114.1 | Q204 L206 V247 P248 F255 K256 | Q204-L252 HydrophobicContact CB-CD1 3.93Å; Q204-L252 HydrophobicContact CB-CD2 4.43Å; Q204-L252 HydrophobicContact CG-CD1 4.15Å; Q204-L252 HydrophobicContact CG-CD2 3.74Å; L206-L252 HydrophobicContact CD1-CD1 4.36Å; V247-L252 HydrophobicContact CB-CD1 3.99Å; V247-L252 HydrophobicContact CG1-CB 4.39Å; V247-L252 HydrophobicContact CG1-CD1 4.08Å; P248-L252 WeakPolarHBondContact O-CB 3.3Å; P248-L252 PolarHBondContact O-N 2.91Å; L252-F255 PolarHBondContact O-N 2.62Å; L252-K256 HydrophobicContact CD1-CD 4.5Å; L252-K256 HydrophobicContact CG-CD 4.45Å; L252-K256 WeakPolarHBondContact O-CG 3.19Å; L252-K256 PolarHBondContact O-N 3.45Å |
| 253 | E | 93.9 | Very high | 92.8 | Very high | 117 Ų | 117 | 45.6 Ų | 45.6 | 55% | 0.547 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.9 | -34.2 | -175.4 | -65.2 | -57 | 121.8 | 0 | 0 | 112.2 | T251 K256 S257 | T251-E253 PolarHBondContact O-N 2.96Å; E253-K256 IonicContact OE1-NZ 3.44Å; E253-K256 PolarHBondContact OE1-NZ 3.42Å; E253-K256 VanDerWaalsContact OE1-NZ 3.14Å; E253-S257 WeakPolarHBondContact O-CB 3.46Å; E253-S257 PolarHBondContact O-N 3.47Å; E253-S257 PolarHBondContact O-OG 3.34Å |
| 254 | T | 93.8 | Very high | 93 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 54% | 0.54 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 172.8 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | F228 T251 S257 Y258 | F228-T254 HydrophobicContact CE1-CG2 3.83Å; T251-T254 PolarHBondContact O-N 2.76Å; T254-S257 WeakPolarHBondContact O-CB 3.36Å; T254-S257 PolarHBondContact O-N 3.2Å; T254-Y258 PolarHBondContact O-N 3.06Å |
| 255 | F | 94.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 178.4 | -175.8 | -120.1 | 0 | 0 | 0 | 111.9 | L206 I208 F228 L230 V247 T251 L252 S257 Y258 L259 | L206-F255 HydrophobicContact CD1-CD1 4.04Å; L206-F255 HydrophobicContact CD1-CE1 4.2Å; I208-F255 HydrophobicContact CD1-CE1 4.06Å; I208-F255 HydrophobicContact CD1-CZ 3.92Å; F228-F255 HydrophobicContact CB-CD2 4.28Å; F228-F255 HydrophobicContact CD1-CB 4.04Å; F228-F255 HydrophobicContact CD1-CD2 4.29Å; F228-F255 AromaticContact CD2-CD2 3.47Å; F228-F255 HydrophobicContact CD2-CD2 3.47Å; F228-F255 VanDerWaalsContact CD2-CD2 3.47Å; F228-F255 HydrophobicContact CD2-CE2 4.01Å; F228-F255 HydrophobicContact CD2-CG 4.45Å; F228-F255 HydrophobicContact CE1-CB 4.33Å; F228-F255 AromaticContact CE2-CD2 3.75Å; F228-F255 HydrophobicContact CE2-CD2 3.75Å; F228-F255 HydrophobicContact CE2-CE2 4.36Å; F228-F255 HydrophobicContact CG-CB 4.25Å; F228-F255 AromaticContact CG-CD2 3.77Å; F228-F255 HydrophobicContact CG-CD2 3.77Å; F228-F255 HydrophobicContact CG-CG 4.34Å; F228-F255 HydrophobicContact CZ-CD2 4.29Å; L230-F255 HydrophobicContact CD1-CD2 4.28Å; L230-F255 HydrophobicContact CD1-CE1 4.38Å; L230-F255 HydrophobicContact CD1-CE2 3.6Å; L230-F255 HydrophobicContact CD1-CZ 3.65Å; L230-F255 HydrophobicContact CD2-CD1 4.23Å; L230-F255 HydrophobicContact CD2-CD2 4.38Å; L230-F255 HydrophobicContact CD2-CE1 4.16Å; L230-F255 HydrophobicContact CD2-CE2 4.34Å; L230-F255 HydrophobicContact CD2-CG 4.32Å; L230-F255 HydrophobicContact CD2-CZ 4.23Å; V247-F255 HydrophobicContact CB-CD1 4.49Å; V247-F255 HydrophobicContact CG1-CB 4.14Å; V247-F255 HydrophobicContact CG1-CD1 3.99Å; V247-F255 HydrophobicContact CG1-CG 4.35Å; V247-F255 HydrophobicContact CG2-CD1 3.66Å; V247-F255 HydrophobicContact CG2-CE1 3.86Å; T251-F255 WeakPolarHBondContact O-CB 3.3Å; T251-F255 PolarHBondContact O-N 2.95Å; L252-F255 PolarHBondContact O-N 2.62Å; F255-S257 VanDerWaalsContact C-N 3.31Å; F255-S257 PolarHBondContact O-N 3.29Å; F255-Y258 HydrophobicContact CD2-CD1 4.2Å; F255-Y258 HydrophobicContact CE2-CD1 4.11Å; F255-Y258 WeakPolarHBondContact O-CB 3.45Å; F255-Y258 PolarHBondContact O-N 2.92Å; F255-Y258 VanDerWaalsContact O-N 3.13Å; F255-L259 HydrophobicContact CD1-CD1 4.1Å; F255-L259 HydrophobicContact CD1-CG 4.49Å; F255-L259 HydrophobicContact CE1-CD1 3.78Å; F255-L259 HydrophobicContact CE1-CD2 4.39Å; F255-L259 HydrophobicContact CE1-CG 4.23Å; F255-L259 HydrophobicContact CE2-CD2 4.19Å; F255-L259 HydrophobicContact CE2-CG 4.4Å; F255-L259 HydrophobicContact CZ-CD1 4.17Å; F255-L259 HydrophobicContact CZ-CD2 3.92Å; F255-L259 HydrophobicContact CZ-CG 4.18Å; F255-L259 WeakPolarHBondContact O-CG 3.32Å; F255-L259 PolarHBondContact O-N 3.38Å |
| 256 | K | 95.1 | Very high | 93.2 | Very high | 27 Ų | 27 | 54 Ų | 54 | 12% | 0.117 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.3 | -45.1 | 171.8 | -76.3 | 179.3 | -175.3 | 161.9 | 0 | 111.9 | L206 L252 E253 Y258 L259 D260 Y266 | L206-K256 HydrophobicContact CD1-CG 4.23Å; L252-K256 HydrophobicContact CD1-CD 4.5Å; L252-K256 HydrophobicContact CG-CD 4.45Å; L252-K256 WeakPolarHBondContact O-CG 3.19Å; L252-K256 PolarHBondContact O-N 3.45Å; E253-K256 IonicContact OE1-NZ 3.44Å; E253-K256 PolarHBondContact OE1-NZ 3.42Å; E253-K256 VanDerWaalsContact OE1-NZ 3.14Å; K256-Y258 VanDerWaalsContact C-N 3.3Å; K256-Y258 PolarHBondContact O-N 3.02Å; K256-L259 WeakPolarHBondContact O-CB 3.37Å; K256-L259 PolarHBondContact O-N 3.2Å; K256-L259 VanDerWaalsContact O-N 3.15Å; K256-D260 VanDerWaalsContact O-CG 3.3Å; K256-D260 PolarHBondContact O-N 3.42Å; K256-Y266 WeakPolarHBondContact CB-OH 3.25Å; K256-Y266 HydrophobicContact CD-CE2 4.11Å; K256-Y266 HydrophobicContact CG-CE2 3.8Å |
| 257 | S | 94.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 50% | 0.497 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 175.9 | -58 | 0 | 0 | 0 | 0 | 112.2 | E253 T254 F255 D260 S261 | E253-S257 WeakPolarHBondContact O-CB 3.46Å; E253-S257 PolarHBondContact O-N 3.47Å; E253-S257 PolarHBondContact O-OG 3.34Å; T254-S257 WeakPolarHBondContact O-CB 3.36Å; T254-S257 PolarHBondContact O-N 3.2Å; F255-S257 VanDerWaalsContact C-N 3.31Å; F255-S257 PolarHBondContact O-N 3.29Å; S257-D260 PolarHBondContact O-N 3.02Å; S257-S261 WeakPolarHBondContact O-CB 3.31Å; S257-S261 PolarHBondContact O-N 2.98Å; S257-S261 PolarHBondContact O-OG 2.92Å |
| 258 | Y | 93.3 | Very high | 93.3 | Very high | 30 Ų | 30 | 58.7 Ų | 58.7 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 173.2 | 168.7 | -91 | 0 | 0 | 0 | 111.3 | F228 T254 F255 K256 S261 H262 | F228-Y258 HydrophobicContact CE2-CD1 4.3Å; F228-Y258 HydrophobicContact CE2-CD2 4.33Å; F228-Y258 HydrophobicContact CE2-CG 4.07Å; F228-Y258 HydrophobicContact CZ-CD2 4.41Å; F228-Y258 HydrophobicContact CZ-CG 4.17Å; T254-Y258 PolarHBondContact O-N 3.06Å; F255-Y258 HydrophobicContact CD2-CD1 4.2Å; F255-Y258 HydrophobicContact CE2-CD1 4.11Å; F255-Y258 WeakPolarHBondContact O-CB 3.45Å; F255-Y258 PolarHBondContact O-N 2.92Å; F255-Y258 VanDerWaalsContact O-N 3.13Å; K256-Y258 VanDerWaalsContact C-N 3.3Å; K256-Y258 PolarHBondContact O-N 3.02Å; Y258-S261 PolarHBondContact O-N 2.85Å; Y258-S261 PolarHBondContact O-OG 2.61Å; Y258-H262 AromaticContact CD2-CE1 3.5Å; Y258-H262 VanDerWaalsContact CD2-CE1 3.5Å; Y258-H262 WeakPolarHBondContact CD2-CE1 3.33Å; Y258-H262 AromaticContact CD2-ND1 3.64Å; Y258-H262 AromaticContact CE2-CE1 3.22Å; Y258-H262 WeakPolarHBondContact CE2-CE1 3.42Å; Y258-H262 AromaticContact CE2-ND1 3.53Å; Y258-H262 AromaticContact CZ-CE1 3.86Å; Y258-H262 AromaticContact CZ-ND1 3.81Å; Y258-H262 PolarHBondContact O-N 3.4Å; Y258-H262 PolarHBondContact O-ND1 2.84Å |
| 259 | L | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 176.5 | -63.7 | 175.6 | 0 | 0 | 0 | 111.1 | L206 I208 L219 F255 K256 S261 H262 D263 L264 Y266 | L206-L259 HydrophobicContact CD1-CD1 4.22Å; I208-L259 HydrophobicContact CD1-CD1 4.01Å; I208-L259 HydrophobicContact CD1-CD2 3.89Å; I208-L259 HydrophobicContact CG1-CD1 4.09Å; I208-L259 HydrophobicContact CG1-CD2 4.39Å; I208-L259 HydrophobicContact CG2-CD2 4.37Å; L219-L259 HydrophobicContact CD2-CD2 4.46Å; F255-L259 HydrophobicContact CD1-CD1 4.1Å; F255-L259 HydrophobicContact CD1-CG 4.49Å; F255-L259 HydrophobicContact CE1-CD1 3.78Å; F255-L259 HydrophobicContact CE1-CD2 4.39Å; F255-L259 HydrophobicContact CE1-CG 4.23Å; F255-L259 HydrophobicContact CE2-CD2 4.19Å; F255-L259 HydrophobicContact CE2-CG 4.4Å; F255-L259 HydrophobicContact CZ-CD1 4.17Å; F255-L259 HydrophobicContact CZ-CD2 3.92Å; F255-L259 HydrophobicContact CZ-CG 4.18Å; F255-L259 WeakPolarHBondContact O-CG 3.32Å; F255-L259 PolarHBondContact O-N 3.38Å; K256-L259 WeakPolarHBondContact O-CB 3.37Å; K256-L259 PolarHBondContact O-N 3.2Å; K256-L259 VanDerWaalsContact O-N 3.15Å; L259-S261 VanDerWaalsContact C-N 3.35Å; L259-S261 PolarHBondContact O-N 3.28Å; L259-H262 CarbonylContact O-C 3.6Å; L259-H262 PolarHBondContact O-N 3.07Å; L259-H262 VanDerWaalsContact O-N 3.16Å; L259-D263 PolarHBondContact O-N 3.33Å; L259-L264 HydrophobicContact CB-CB 4.06Å; L259-L264 HydrophobicContact CD2-CB 3.89Å; L259-L264 HydrophobicContact CD2-CD1 3.62Å; L259-L264 HydrophobicContact CD2-CG 4.38Å; L259-L264 WeakPolarHBondContact O-CB 3.46Å; L259-L264 PolarHBondContact O-N 3.19Å; L259-Y266 HydrophobicContact CB-CD1 3.69Å; L259-Y266 HydrophobicContact CB-CE1 3.88Å; L259-Y266 HydrophobicContact CD1-CD1 3.51Å; L259-Y266 HydrophobicContact CD1-CD2 4.46Å; L259-Y266 HydrophobicContact CD1-CE1 4.11Å; L259-Y266 HydrophobicContact CD1-CG 3.72Å; L259-Y266 HydrophobicContact CG-CD1 4.25Å |
| 260 | D | 95.5 | Very high | 93.5 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.9 | -41.4 | 178.5 | -69.2 | -33.2 | 0 | 0 | 0 | 111.8 | K256 S257 H262 D263 Y266 | K256-D260 VanDerWaalsContact O-CG 3.3Å; K256-D260 PolarHBondContact O-N 3.42Å; S257-D260 PolarHBondContact O-N 3.02Å; D260-H262 PolarHBondContact O-N 2.71Å; D260-D263 PolarHBondContact O-N 2.82Å; D260-Y266 WeakPolarHBondContact OD1-CE1 3.38Å |
| 261 | S | 94.6 | Very high | 93.8 | Very high | 82 Ų | 82 | 59.6 Ų | 59.6 | 57% | 0.573 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.5 | -17.3 | 179 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | S257 Y258 L259 | S257-S261 WeakPolarHBondContact O-CB 3.31Å; S257-S261 PolarHBondContact O-N 2.98Å; S257-S261 PolarHBondContact O-OG 2.92Å; Y258-S261 PolarHBondContact O-N 2.85Å; Y258-S261 PolarHBondContact O-OG 2.61Å; L259-S261 VanDerWaalsContact C-N 3.35Å; L259-S261 PolarHBondContact O-N 3.28Å |
| 262 | H | 92.3 | Very high | 93.8 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 31% | 0.31 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 13 | 179.4 | -66.1 | 97.9 | 0 | 0 | 0 | 112.7 | Q215 L218 Y258 L259 D260 L264 | Q215-H262 PolarHBondContact NE2-O 3.01Å; Q215-H262 VanDerWaalsContact NE2-O 3.16Å; L218-H262 HydrophobicContact CD1-CB 3.84Å; Y258-H262 AromaticContact CD2-CE1 3.5Å; Y258-H262 VanDerWaalsContact CD2-CE1 3.5Å; Y258-H262 WeakPolarHBondContact CD2-CE1 3.33Å; Y258-H262 AromaticContact CD2-ND1 3.64Å; Y258-H262 AromaticContact CE2-CE1 3.22Å; Y258-H262 WeakPolarHBondContact CE2-CE1 3.42Å; Y258-H262 AromaticContact CE2-ND1 3.53Å; Y258-H262 AromaticContact CZ-CE1 3.86Å; Y258-H262 AromaticContact CZ-ND1 3.81Å; Y258-H262 PolarHBondContact O-N 3.4Å; Y258-H262 PolarHBondContact O-ND1 2.84Å; L259-H262 CarbonylContact O-C 3.6Å; L259-H262 PolarHBondContact O-N 3.07Å; L259-H262 VanDerWaalsContact O-N 3.16Å; D260-H262 PolarHBondContact O-N 2.71Å; H262-L264 HydrophobicContact CB-CD1 4.08Å; H262-L264 HydrophobicContact CB-CG 4.28Å; H262-L264 PolarHBondContact O-N 2.96Å; H262-L264 VanDerWaalsContact O-N 3.15Å |
| 263 | D | 94.3 | Very high | 93.7 | Very high | 128 Ų | 128 | 61 Ų | 61 | 68% | 0.684 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 30.7 | -176.4 | -62.1 | -43.5 | 0 | 0 | 0 | 113.1 | Q215 L259 D260 E265 | Q215-D263 VanDerWaalsContact NE2-C 3.32Å; Q215-D263 PolarHBondContact NE2-O 3.4Å; L259-D263 PolarHBondContact O-N 3.33Å; D260-D263 PolarHBondContact O-N 2.82Å; D263-E265 PolarHBondContact O-N 3.38Å |
| 264 | L | 93.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | trans | -82.5 | 108.5 | 176.6 | -78.9 | 164 | 0 | 0 | 0 | 109 | I208 Q215 L219 L259 H262 Y266 | I208-L264 HydrophobicContact CG2-CB 4.27Å; I208-L264 HydrophobicContact CG2-CD2 4.07Å; Q215-L264 HydrophobicContact CB-CD2 3.62Å; Q215-L264 HydrophobicContact CG-CD2 3.73Å; Q215-L264 HydrophobicContact CG-CG 4.2Å; L219-L264 HydrophobicContact CD1-CD2 4.17Å; L219-L264 HydrophobicContact CD2-CD1 4.12Å; L219-L264 HydrophobicContact CG-CD2 4.29Å; L259-L264 HydrophobicContact CB-CB 4.06Å; L259-L264 HydrophobicContact CD2-CB 3.89Å; L259-L264 HydrophobicContact CD2-CD1 3.62Å; L259-L264 HydrophobicContact CD2-CG 4.38Å; L259-L264 WeakPolarHBondContact O-CB 3.46Å; L259-L264 PolarHBondContact O-N 3.19Å; H262-L264 HydrophobicContact CB-CD1 4.08Å; H262-L264 HydrophobicContact CB-CG 4.28Å; H262-L264 PolarHBondContact O-N 2.96Å; H262-L264 VanDerWaalsContact O-N 3.15Å; L264-Y266 PolarHBondContact O-N 3.08Å | ||
| 265 | E | 93.1 | Very high | 93.3 | Very high | 115 Ų | 115 | 53.7 Ų | 53.7 | 54% | 0.537 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 131.8 | 174.6 | -76 | -179.1 | 178.4 | 0 | 0 | 110.9 | I208 V209 K211 D263 | I208-E265 WeakPolarHBondContact CA-O 3.38Å; V209-E265 PolarHBondContact N-O 3.28Å; V209-E265 VanDerWaalsContact N-O 3.1Å; K211-E265 WeakPolarHBondContact CE-OE1 3.19Å; K211-E265 WeakPolarHBondContact CE-OE2 3.44Å; K211-E265 IonicContact NZ-OE1 2.68Å; K211-E265 PolarHBondContact NZ-OE1 3.42Å; K211-E265 IonicContact NZ-OE2 3.73Å; K211-E265 PolarHBondContact NZ-OE2 3.41Å; D263-E265 PolarHBondContact O-N 3.38Å |
| 266 | Y | 94.9 | Very high | 93 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 28% | 0.275 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 161.6 | 175.1 | 66.9 | -87.5 | 0 | 0 | 0 | 112.4 | L206 R207 K256 L259 D260 L264 | L206-Y266 HydrophobicContact CD1-CD2 4.21Å; L206-Y266 HydrophobicContact CD2-CD2 4.4Å; R207-Y266 CarbonylContact O-C 3.58Å; R207-Y266 WeakPolarHBondContact O-CA 3.46Å; K256-Y266 WeakPolarHBondContact CB-OH 3.25Å; K256-Y266 HydrophobicContact CD-CE2 4.11Å; K256-Y266 HydrophobicContact CG-CE2 3.8Å; L259-Y266 HydrophobicContact CB-CD1 3.69Å; L259-Y266 HydrophobicContact CB-CE1 3.88Å; L259-Y266 HydrophobicContact CD1-CD1 3.51Å; L259-Y266 HydrophobicContact CD1-CD2 4.46Å; L259-Y266 HydrophobicContact CD1-CE1 4.11Å; L259-Y266 HydrophobicContact CD1-CG 3.72Å; L259-Y266 HydrophobicContact CG-CD1 4.25Å; D260-Y266 WeakPolarHBondContact OD1-CE1 3.38Å; L264-Y266 PolarHBondContact O-N 3.08Å |
| 267 | S | 95.5 | Very high | 92.6 | Very high | 62 Ų | 62 | 53.5 Ų | 53.5 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.8 | 171.5 | 55.8 | 0 | 0 | 0 | 0 | 109.8 | L206 R207 M269 | L206-S267 CarbonylContact C-O 3.56Å; L206-S267 WeakPolarHBondContact CA-O 3.46Å; R207-S267 PolarHBondContact N-O 3.04Å; R207-S267 PolarHBondContact O-N 3.5Å; S267-M269 PolarHBondContact O-N 2.68Å |
| 268 | T | 95.2 | Very high | 92.1 | Very high | 59 Ų | 59 | 54 Ų | 54 | 36% | 0.362 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 116.2 | 173.6 | -56.9 | 0 | 0 | 0 | 0 | 109.2 | Q204 L206 I270 E271 | Q204-T268 HydrophobicContact CB-CG2 4.42Å; L206-T268 HydrophobicContact CD2-CG2 4.35Å; T268-I270 WeakPolarHBondContact CG2-O 3.4Å; T268-E271 HydrophobicContact CG2-CG 4.07Å |
| 269 | M | 92.3 | Very high | 91.6 | Very high | 45 Ų | 45 | 57.8 Ų | 57.8 | 22% | 0.222 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -44.9 | 175.8 | -56.9 | -168.2 | 81.9 | 0 | 0 | 111.8 | V205 R207 D244 S267 G567 | V205-M269 HydrophobicContact CB-CB 4.41Å; V205-M269 HydrophobicContact CG1-CB 4.38Å; V205-M269 HydrophobicContact CG1-SD 4.26Å; V205-M269 WeakPolarHBondContact O-CB 3.31Å; V205-M269 PolarHBondContact O-N 3.41Å; R207-M269 HydrophobicContact CB-CG 3.54Å; R207-M269 HydrophobicContact CB-SD 3.64Å; R207-M269 VanDerWaalsContact NH2-CE 3.3Å; D244-M269 HydrophobicContact CB-SD 4.19Å; D244-M269 VanDerWaalsContact CG-SD 3.51Å; D244-M269 VanDerWaalsContact OD1-SD 3.39Å; S267-M269 PolarHBondContact O-N 2.68Å; M269-G567 WeakPolarHBondContact CE-O 3.22Å |
| 270 | I | 91.7 | Very high | 91.2 | Very high | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 118.9 | -178.9 | -62.3 | 171.7 | 0 | 0 | 0 | 106.8 | Q204 V205 W233 T268 V273 I276 | Q204-I270 VanDerWaalsContact CA-O 3.29Å; Q204-I270 WeakPolarHBondContact CA-O 3.46Å; V205-I270 HydrophobicContact CB-CB 3.95Å; V205-I270 HydrophobicContact CB-CD1 4.23Å; V205-I270 HydrophobicContact CB-CG1 4.27Å; V205-I270 HydrophobicContact CG2-CB 4.04Å; V205-I270 HydrophobicContact CG2-CD1 3.92Å; V205-I270 HydrophobicContact CG2-CG1 4.38Å; V205-I270 PolarHBondContact N-O 3.15Å; V205-I270 PolarHBondContact O-N 3.47Å; W233-I270 HydrophobicContact CH2-CD1 3.95Å; W233-I270 HydrophobicContact CZ3-CD1 3.77Å; T268-I270 WeakPolarHBondContact CG2-O 3.4Å; I270-V273 HydrophobicContact CG2-CG2 3.99Å; I270-I276 HydrophobicContact CB-CD1 4.45Å; I270-I276 HydrophobicContact CD1-CD1 4.03Å; I270-I276 HydrophobicContact CG1-CD1 4.05Å; I270-I276 HydrophobicContact CG2-CD1 3.62Å; I270-I276 HydrophobicContact CG2-CG1 4.43Å |
| 271 | E | 94.3 | Very high | 90.7 | Very high | 157 Ų | 157 | 56.9 Ų | 56.9 | 73% | 0.734 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -76.7 | -33.3 | -178.2 | -66.7 | -173.7 | 172.7 | 0 | 0 | 113 | Q204 T268 | Q204-E271 WeakPolarHBondContact CG-O 3.07Å; Q204-E271 PolarHBondContact NE2-O 3.41Å; T268-E271 HydrophobicContact CG2-CG 4.07Å |
| 272 | D | 91.7 | Very high | 90 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | trans | -148.2 | 109.8 | 176.3 | -172.8 | -4.3 | 0 | 0 | 0 | 109.9 | G202 H203 Q274 A275 | G202-D272 PolarHBondContact N-OD1 3.32Å; H203-D272 WeakPolarHBondContact O-CA 3.46Å; D272-Q274 VanDerWaalsContact C-N 3.28Å; D272-Q274 PolarHBondContact O-N 2.97Å; D272-Q274 WeakPolarHBondContact OD1-CB 3.31Å; D272-Q274 PolarHBondContact OD1-N 3Å; D272-A275 HydrophobicContact CB-CB 4.05Å; D272-A275 PolarHBondContact O-N 2.94Å | ||
| 273 | V | 90.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -36 | 177 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | F200 H203 V205 R246 I270 A275 I276 L277 L572 | F200-V273 HydrophobicContact CB-CB 4.06Å; F200-V273 HydrophobicContact CB-CG1 3.85Å; F200-V273 HydrophobicContact CG-CG1 4.18Å; H203-V273 HydrophobicContact CB-CB 4.09Å; H203-V273 HydrophobicContact CB-CG2 4.06Å; H203-V273 WeakPolarHBondContact O-CG2 3.46Å; H203-V273 PolarHBondContact O-N 3Å; V205-V273 HydrophobicContact CG2-CG2 3.84Å; R246-V273 HydrophobicContact CG-CG2 4.34Å; I270-V273 HydrophobicContact CG2-CG2 3.99Å; V273-A275 VanDerWaalsContact C-N 3.33Å; V273-A275 PolarHBondContact O-N 3.17Å; V273-I276 PolarHBondContact O-N 3.21Å; V273-L277 HydrophobicContact CG1-CD1 4.06Å; V273-L277 HydrophobicContact CG1-CG 4.34Å; V273-L277 WeakPolarHBondContact O-CG 3.24Å; V273-L277 PolarHBondContact O-N 3.38Å; V273-L277 VanDerWaalsContact O-N 3.12Å; V273-L572 HydrophobicContact CG1-CD1 4Å |
| 274 | Q | 89.3 | Confident | 88.6 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | -179.3 | -170.5 | 60.3 | 53.3 | 0 | 0 | 112 | F200 E201 D272 I276 L277 D278 | F200-Q274 HydrophobicContact CB-CB 4.49Å; E201-Q274 HydrophobicContact CG-CB 4.09Å; E201-Q274 HydrophobicContact CG-CG 3.75Å; D272-Q274 VanDerWaalsContact C-N 3.28Å; D272-Q274 PolarHBondContact O-N 2.97Å; D272-Q274 WeakPolarHBondContact OD1-CB 3.31Å; D272-Q274 PolarHBondContact OD1-N 3Å; Q274-I276 VanDerWaalsContact C-N 3.3Å; Q274-I276 PolarHBondContact O-N 2.86Å; Q274-L277 WeakPolarHBondContact O-CB 3.23Å; Q274-L277 PolarHBondContact O-N 3.5Å; Q274-L277 VanDerWaalsContact O-N 3.14Å; Q274-D278 PolarHBondContact NE2-OD1 3.15Å; Q274-D278 VanDerWaalsContact O-CG 3.26Å; Q274-D278 PolarHBondContact O-N 3.42Å |
| 275 | A | 89 | Confident | 87.7 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | D272 V273 M279 | D272-A275 HydrophobicContact CB-CB 4.05Å; D272-A275 PolarHBondContact O-N 2.94Å; V273-A275 VanDerWaalsContact C-N 3.33Å; V273-A275 PolarHBondContact O-N 3.17Å; A275-M279 WeakPolarHBondContact O-CG 3.13Å; A275-M279 PolarHBondContact O-N 3.43Å |
| 276 | I | 89.3 | Confident | 86.7 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 14% | 0.144 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 176.4 | -55.4 | -178.1 | 0 | 0 | 0 | 110.9 | I270 V273 Q274 D278 M279 E280 L572 | I270-I276 HydrophobicContact CB-CD1 4.45Å; I270-I276 HydrophobicContact CD1-CD1 4.03Å; I270-I276 HydrophobicContact CG1-CD1 4.05Å; I270-I276 HydrophobicContact CG2-CD1 3.62Å; I270-I276 HydrophobicContact CG2-CG1 4.43Å; V273-I276 PolarHBondContact O-N 3.21Å; Q274-I276 VanDerWaalsContact C-N 3.3Å; Q274-I276 PolarHBondContact O-N 2.86Å; I276-D278 VanDerWaalsContact C-N 3.33Å; I276-D278 PolarHBondContact O-N 3.09Å; I276-M279 HydrophobicContact CB-CE 4.34Å; I276-M279 HydrophobicContact CG1-CE 4.15Å; I276-M279 PolarHBondContact O-N 3.49Å; I276-E280 PolarHBondContact O-N 3.43Å; I276-L572 HydrophobicContact CB-CD1 3.95Å; I276-L572 HydrophobicContact CG2-CB 3.66Å; I276-L572 HydrophobicContact CG2-CD1 3.88Å; I276-L572 HydrophobicContact CG2-CG 4.39Å |
| 277 | L | 86.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 175.8 | -70.3 | 178.1 | 0 | 0 | 0 | 113.1 | F200 V273 Q274 E280 R281 R416 M417 L572 | F200-L277 HydrophobicContact CB-CD1 4.13Å; F200-L277 HydrophobicContact CD2-CD1 3.29Å; F200-L277 HydrophobicContact CE2-CD1 3.98Å; F200-L277 HydrophobicContact CG-CD1 3.99Å; V273-L277 HydrophobicContact CG1-CD1 4.06Å; V273-L277 HydrophobicContact CG1-CG 4.34Å; V273-L277 WeakPolarHBondContact O-CG 3.24Å; V273-L277 PolarHBondContact O-N 3.38Å; V273-L277 VanDerWaalsContact O-N 3.12Å; Q274-L277 WeakPolarHBondContact O-CB 3.23Å; Q274-L277 PolarHBondContact O-N 3.5Å; Q274-L277 VanDerWaalsContact O-N 3.14Å; L277-E280 PolarHBondContact O-N 3.39Å; L277-R281 WeakPolarHBondContact O-CB 3.15Å; L277-R281 VanDerWaalsContact O-CG 3.28Å; L277-R281 WeakPolarHBondContact O-CG 3.31Å; L277-R281 PolarHBondContact O-N 2.95Å; L277-R416 HydrophobicContact CD2-CB 3.98Å; L277-R416 HydrophobicContact CD2-CG 3.35Å; L277-M417 HydrophobicContact CD2-CE 4.35Å; L277-L572 HydrophobicContact CD2-CD1 4.05Å; L277-L572 HydrophobicContact CD2-CD2 3.49Å; L277-L572 VanDerWaalsContact CD2-CD2 3.49Å; L277-L572 HydrophobicContact CD2-CG 4.44Å; L277-L572 HydrophobicContact CG-CD1 4.17Å; L277-L572 HydrophobicContact CG-CD2 4.47Å |
| 278 | D | 83.3 | Confident | 84.6 | Confident | 82 Ų | 82 | 53.9 Ų | 53.9 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68 | -38.6 | 178.1 | -69 | -19.7 | 0 | 0 | 0 | 111.1 | Q274 I276 R281 E282 | Q274-D278 PolarHBondContact NE2-OD1 3.15Å; Q274-D278 VanDerWaalsContact O-CG 3.26Å; Q274-D278 PolarHBondContact O-N 3.42Å; I276-D278 VanDerWaalsContact C-N 3.33Å; I276-D278 PolarHBondContact O-N 3.09Å; D278-R281 PolarHBondContact O-N 3.24Å; D278-E282 WeakPolarHBondContact O-CB 3.3Å; D278-E282 PolarHBondContact O-N 3.31Å |
| 279 | M | 83.6 | Confident | 83.3 | Confident | 108 Ų | 108 | 60.2 Ų | 60.2 | 53% | 0.532 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 171.7 | -70.4 | -172.5 | -71 | 0 | 0 | 112.3 | A275 I276 E282 Q283 | A275-M279 WeakPolarHBondContact O-CG 3.13Å; A275-M279 PolarHBondContact O-N 3.43Å; I276-M279 HydrophobicContact CB-CE 4.34Å; I276-M279 HydrophobicContact CG1-CE 4.15Å; I276-M279 PolarHBondContact O-N 3.49Å; M279-E282 PolarHBondContact O-N 2.93Å; M279-Q283 VanDerWaalsContact O-CG 3.3Å; M279-Q283 WeakPolarHBondContact O-CG 3.45Å; M279-Q283 PolarHBondContact O-N 2.92Å |
| 280 | E | 85.7 | Confident | 82.3 | Confident | 13 Ų | 13 | 63.6 Ų | 63.6 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.2 | -49.3 | 175.6 | -178.7 | -174.9 | 74.8 | 0 | 0 | 110.8 | I276 L277 E282 Q283 M284 Y304 W365 R416 | I276-E280 PolarHBondContact O-N 3.43Å; L277-E280 PolarHBondContact O-N 3.39Å; E280-E282 PolarHBondContact O-N 3.01Å; E280-Q283 PolarHBondContact O-N 2.81Å; E280-M284 HydrophobicContact CG-SD 4.26Å; E280-M284 WeakPolarHBondContact O-CG 3.38Å; E280-M284 PolarHBondContact O-N 3.24Å; E280-Y304 HydrophobicContact CG-CD2 4.36Å; E280-W365 HydrophobicContact CG-CZ3 4.01Å; E280-W365 VanDerWaalsContact OE1-CZ3 3.26Å; E280-W365 WeakPolarHBondContact OE1-CZ3 3.43Å; E280-R416 IonicContact OE1-CZ 3.08Å; E280-R416 IonicContact OE1-NE 3.65Å; E280-R416 PolarHBondContact OE1-NE 3.37Å; E280-R416 IonicContact OE1-NH2 3.91Å; E280-R416 IonicContact OE2-CZ 3.98Å; E280-R416 IonicContact OE2-NE 3.95Å; E280-R416 PolarHBondContact OE2-NE 3.37Å; E280-R416 IonicContact OE2-NH2 3.74Å; E280-R416 PolarHBondContact OE2-NH2 2.84Å |
| 281 | R | 83.8 | Confident | 81.3 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64 | -41 | -179.7 | -75.5 | 172.5 | 173.5 | 175.6 | 1.2 | 112.6 | L277 D278 M284 K285 | L277-R281 WeakPolarHBondContact O-CB 3.15Å; L277-R281 VanDerWaalsContact O-CG 3.28Å; L277-R281 WeakPolarHBondContact O-CG 3.31Å; L277-R281 PolarHBondContact O-N 2.95Å; D278-R281 PolarHBondContact O-N 3.24Å; R281-M284 PolarHBondContact O-N 2.77Å; R281-K285 WeakPolarHBondContact O-CB 3.3Å; R281-K285 VanDerWaalsContact O-CG 3.27Å; R281-K285 WeakPolarHBondContact O-CG 3.29Å; R281-K285 PolarHBondContact O-N 3.14Å |
| 282 | E | 79.5 | Confident | 80.4 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 179.3 | -171.8 | 56.6 | -157.4 | 0 | 0 | 111.8 | D278 M279 E280 S286 | D278-E282 WeakPolarHBondContact O-CB 3.3Å; D278-E282 PolarHBondContact O-N 3.31Å; M279-E282 PolarHBondContact O-N 2.93Å; E280-E282 PolarHBondContact O-N 3.01Å; E282-S286 VanDerWaalsContact O-CB 3.27Å; E282-S286 WeakPolarHBondContact O-CB 3.38Å; E282-S286 PolarHBondContact O-N 3.44Å; E282-S286 PolarHBondContact O-OG 2.84Å |
| 283 | Q | 77.6 | Confident | 80 | Confident | 89 Ų | 89 | 66.4 Ų | 66.4 | 42% | 0.416 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 172.2 | -74.1 | 173.4 | 7 | 0 | 0 | 111.2 | M279 E280 K285 S286 A287 | M279-Q283 VanDerWaalsContact O-CG 3.3Å; M279-Q283 WeakPolarHBondContact O-CG 3.45Å; M279-Q283 PolarHBondContact O-N 2.92Å; E280-Q283 PolarHBondContact O-N 2.81Å; Q283-K285 PolarHBondContact O-N 2.72Å; Q283-S286 PolarHBondContact O-N 3.45Å; Q283-A287 WeakPolarHBondContact O-CB 3.32Å; Q283-A287 PolarHBondContact O-N 2.78Å |
| 284 | M | 80.2 | Confident | 79.7 | Confident | 33 Ų | 33 | 76.8 Ų | 76.8 | 16% | 0.163 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.5 | -71.5 | 177.2 | 69.4 | 0 | 0 | 112.6 | E280 R281 S286 A287 A288 W365 H412 | E280-M284 HydrophobicContact CG-SD 4.26Å; E280-M284 WeakPolarHBondContact O-CG 3.38Å; E280-M284 PolarHBondContact O-N 3.24Å; R281-M284 PolarHBondContact O-N 2.77Å; M284-S286 VanDerWaalsContact C-N 3.32Å; M284-S286 PolarHBondContact O-N 3.27Å; M284-A287 PolarHBondContact O-N 2.85Å; M284-A288 WeakPolarHBondContact O-CB 3.37Å; M284-A288 PolarHBondContact O-N 2.91Å; M284-W365 HydrophobicContact CE-CH2 4.31Å; M284-W365 HydrophobicContact CE-CZ3 4.22Å; M284-W365 HydrophobicContact SD-CH2 3.98Å; M284-W365 HydrophobicContact SD-CZ3 3.51Å; M284-W365 VanDerWaalsContact SD-CZ3 3.51Å; M284-H412 VanDerWaalsContact CE-CE1 3.46Å; M284-H412 WeakPolarHBondContact CE-CE1 3.27Å |
| 285 | K | 75.1 | Confident | 79.8 | Confident | 120 Ų | 120 | 79.3 Ų | 79.3 | 52% | 0.522 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.9 | -76.4 | 175.3 | -177 | 178.6 | 0 | 111.7 | R281 Q283 A288 R289 | R281-K285 WeakPolarHBondContact O-CB 3.3Å; R281-K285 VanDerWaalsContact O-CG 3.27Å; R281-K285 WeakPolarHBondContact O-CG 3.29Å; R281-K285 PolarHBondContact O-N 3.14Å; Q283-K285 PolarHBondContact O-N 2.72Å; K285-A288 PolarHBondContact O-N 2.7Å; K285-R289 WeakPolarHBondContact O-CG 3.39Å; K285-R289 PolarHBondContact O-N 2.71Å |
| 286 | S | 71.9 | Confident | 79.9 | Confident | 52 Ų | 52 | 77.1 Ų | 77.1 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 177.3 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | E282 Q283 M284 R289 | E282-S286 VanDerWaalsContact O-CB 3.27Å; E282-S286 WeakPolarHBondContact O-CB 3.38Å; E282-S286 PolarHBondContact O-N 3.44Å; E282-S286 PolarHBondContact O-OG 2.84Å; Q283-S286 PolarHBondContact O-N 3.45Å; M284-S286 VanDerWaalsContact C-N 3.32Å; M284-S286 PolarHBondContact O-N 3.27Å; S286-R289 PolarHBondContact O-N 2.93Å |
| 287 | A | 72.3 | Confident | 80 | Confident | 23 Ų | 23 | 81.7 Ų | 81.7 | 19% | 0.19 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q283 M284 R289 L290 N303 | Q283-A287 WeakPolarHBondContact O-CB 3.32Å; Q283-A287 PolarHBondContact O-N 2.78Å; M284-A287 PolarHBondContact O-N 2.85Å; A287-R289 PolarHBondContact O-N 3.33Å; A287-L290 VanDerWaalsContact O-CB 3.22Å; A287-L290 WeakPolarHBondContact O-CB 3.28Å; A287-L290 WeakPolarHBondContact O-CG 3.26Å; A287-L290 PolarHBondContact O-N 3.1Å; A287-N303 HydrophobicContact CB-CB 4.36Å |
| 288 | A | 72.9 | Confident | 80.1 | Confident | 55 Ų | 55 | 84.7 Ų | 84.7 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.2 | -21.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | M284 K285 L290 | M284-A288 WeakPolarHBondContact O-CB 3.37Å; M284-A288 PolarHBondContact O-N 2.91Å; K285-A288 PolarHBondContact O-N 2.7Å; A288-L290 VanDerWaalsContact C-N 3.25Å |
| 289 | R | 68.8 | Low | 80.4 | Confident | 192 Ų | 192 | 81.4 Ų | 81.4 | 73% | 0.725 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -14.1 | 172.4 | -72.7 | 172.1 | -179 | 164.1 | 2.9 | 113 | K285 S286 A287 | K285-R289 WeakPolarHBondContact O-CG 3.39Å; K285-R289 PolarHBondContact O-N 2.71Å; S286-R289 PolarHBondContact O-N 2.93Å; A287-R289 PolarHBondContact O-N 3.33Å |
| 290 | L | 71.1 | Confident | 80.7 | Confident | 116 Ų | 116 | 78.8 Ų | 78.8 | 61% | 0.607 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -72 | 161.6 | 174.5 | -59.3 | 174 | 0 | 0 | 0 | 110.5 | A287 A288 Q292 | A287-L290 VanDerWaalsContact O-CB 3.22Å; A287-L290 WeakPolarHBondContact O-CB 3.28Å; A287-L290 WeakPolarHBondContact O-CG 3.26Å; A287-L290 PolarHBondContact O-N 3.1Å; A288-L290 VanDerWaalsContact C-N 3.25Å; L290-Q292 PolarHBondContact O-N 3.21Å |
| 291 | V | 70.2 | Confident | 81 | Confident | 126 Ų | 126 | 79.6 Ų | 79.6 | 76% | 0.764 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 126.5 | 179.1 | 179.4 | 0 | 0 | 0 | 0 | 109 | ||
| 292 | Q | 76.7 | Confident | 81.3 | Confident | 115 Ų | 115 | 78.4 Ų | 78.4 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 134.6 | 176 | -73.9 | -68.9 | -32.5 | 0 | 0 | 110.8 | L290 R294 | L290-Q292 PolarHBondContact O-N 3.21Å; Q292-R294 PolarHBondContact O-N 3.01Å |
| 293 | P | 82.8 | Confident | 81.9 | Confident | 38 Ų | 38 | 75.4 Ų | 75.4 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 134.5 | -175.9 | 25.5 | -33.5 | 0 | 0 | 0 | 109.9 | F299 M316 | P293-F299 HydrophobicContact CB-CB 4.3Å; P293-F299 HydrophobicContact CB-CD2 4.2Å; P293-F299 HydrophobicContact CG-CD2 3.78Å; P293-F299 HydrophobicContact CG-CE2 4.4Å; P293-M316 HydrophobicContact CB-CE 4.42Å; P293-M316 HydrophobicContact CG-CE 4.17Å |
| 294 | R | 84.4 | Confident | 82.6 | Confident | 218 Ų | 218 | 71.6 Ų | 71.6 | 82% | 0.823 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -88.7 | -22.6 | 179.1 | -66.3 | -177.2 | -179 | 172.2 | 0.7 | 112.6 | Q292 S298 | Q292-R294 PolarHBondContact O-N 3.01Å; R294-S298 PolarHBondContact N-OG 3.29Å |
| 295 | N | 90.3 | Very high | 83.2 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -158.5 | 171.3 | -176.2 | 59.9 | 36.4 | 0 | 0 | 0 | 108.8 | D297 S298 F299 E320 | N295-D297 VanDerWaalsContact C-N 3.27Å; N295-D297 PolarHBondContact O-N 3.25Å; N295-D297 PolarHBondContact OD1-N 3.48Å; N295-S298 PolarHBondContact N-OG 3.42Å; N295-S298 PolarHBondContact O-N 2.91Å; N295-S298 PolarHBondContact O-OG 3.42Å; N295-S298 PolarHBondContact OD1-N 3.34Å; N295-S298 PolarHBondContact OD1-OG 3.12Å; N295-S298 VanDerWaalsContact OD1-OG 3.1Å; N295-F299 PolarHBondContact O-N 3.45Å; N295-E320 WeakPolarHBondContact CA-OE1 3.39Å; N295-E320 WeakPolarHBondContact CB-OE1 3.16Å |
| 296 | T | 92.5 | Very high | 84 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -68.3 | -21.6 | -178.4 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | S298 F299 Y301 F313 M316 L317 E320 K376 | T296-S298 VanDerWaalsContact C-N 3.33Å; T296-F299 WeakPolarHBondContact O-CB 3.24Å; T296-F299 PolarHBondContact O-N 2.91Å; T296-Y301 WeakPolarHBondContact O-CE2 3.4Å; T296-Y301 PolarHBondContact O-OH 3.14Å; T296-F313 HydrophobicContact CG2-CD2 3.9Å; T296-F313 HydrophobicContact CG2-CE2 3.59Å; T296-M316 HydrophobicContact CG2-CB 3.85Å; T296-L317 HydrophobicContact CG2-CB 3.99Å; T296-L317 HydrophobicContact CG2-CD1 3.97Å; T296-E320 WeakPolarHBondContact CB-OE2 3.26Å; T296-E320 WeakPolarHBondContact CG2-OE2 3.43Å; T296-E320 PolarHBondContact N-OE1 3.03Å; T296-E320 PolarHBondContact OG1-OE2 3.09Å; T296-K376 PolarHBondContact OG1-NZ 3.16Å |
| 297 | D | 89.6 | Confident | 85.1 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 66% | 0.658 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -71.5 | -29.2 | 175 | -66.5 | -28.4 | 0 | 0 | 0 | 112.6 | N295 K376 | N295-D297 VanDerWaalsContact C-N 3.27Å; N295-D297 PolarHBondContact O-N 3.25Å; N295-D297 PolarHBondContact OD1-N 3.48Å; D297-K376 VanDerWaalsContact OD1-CE 3.3Å; D297-K376 WeakPolarHBondContact OD1-CE 3.34Å; D297-K376 IonicContact OD1-NZ 3.73Å; D297-K376 PolarHBondContact OD1-NZ 3.1Å |
| 298 | S | 89 | Confident | 86 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -91.4 | 0.6 | 176 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | R294 N295 T296 | R294-S298 PolarHBondContact N-OG 3.29Å; N295-S298 PolarHBondContact N-OG 3.42Å; N295-S298 PolarHBondContact O-N 2.91Å; N295-S298 PolarHBondContact O-OG 3.42Å; N295-S298 PolarHBondContact OD1-N 3.34Å; N295-S298 PolarHBondContact OD1-OG 3.12Å; N295-S298 VanDerWaalsContact OD1-OG 3.1Å; T296-S298 VanDerWaalsContact C-N 3.33Å |
| 299 | F | 90.6 | Very high | 86.9 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 6% | 0.057 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -74.8 | 140.1 | 178.3 | -168.8 | -86.5 | 0 | 0 | 0 | 110.7 | P293 N295 T296 Y301 H305 F313 M316 L372 | P293-F299 HydrophobicContact CB-CB 4.3Å; P293-F299 HydrophobicContact CB-CD2 4.2Å; P293-F299 HydrophobicContact CG-CD2 3.78Å; P293-F299 HydrophobicContact CG-CE2 4.4Å; N295-F299 PolarHBondContact O-N 3.45Å; T296-F299 WeakPolarHBondContact O-CB 3.24Å; T296-F299 PolarHBondContact O-N 2.91Å; F299-Y301 HydrophobicContact CB-CE2 4.07Å; F299-Y301 AromaticContact CD1-CD1 3.99Å; F299-Y301 HydrophobicContact CD1-CD1 3.99Å; F299-Y301 HydrophobicContact CD1-CD2 4.43Å; F299-Y301 AromaticContact CD1-CE1 3.79Å; F299-Y301 HydrophobicContact CD1-CE1 3.79Å; F299-Y301 HydrophobicContact CD1-CE2 4.26Å; F299-Y301 HydrophobicContact CD1-CG 4.3Å; F299-Y301 AromaticContact CD1-CZ 3.93Å; F299-Y301 HydrophobicContact CE1-CD1 4.44Å; F299-Y301 HydrophobicContact CE1-CE1 4.42Å; F299-Y301 VanDerWaalsContact O-CD2 3.26Å; F299-Y301 WeakPolarHBondContact O-CD2 3.37Å; F299-Y301 WeakPolarHBondContact O-CE2 3.37Å; F299-Y301 PolarHBondContact O-N 2.77Å; F299-H305 AromaticContact CE1-CD2 3.48Å; F299-H305 VanDerWaalsContact CE1-CD2 3.48Å; F299-H305 WeakPolarHBondContact CE1-CD2 3.4Å; F299-H305 AromaticContact CE1-CE1 3.9Å; F299-H305 AromaticContact CE1-NE2 3.23Å; F299-H305 WeakPolarHBondContact CE1-NE2 3.46Å; F299-H305 AromaticContact CZ-CD2 3.44Å; F299-H305 VanDerWaalsContact CZ-CD2 3.44Å; F299-H305 WeakPolarHBondContact CZ-CD2 3.33Å; F299-H305 AromaticContact CZ-CE1 3.71Å; F299-H305 AromaticContact CZ-CG 3.71Å; F299-H305 AromaticContact CZ-ND1 3.88Å; F299-H305 AromaticContact CZ-NE2 3.42Å; F299-H305 WeakPolarHBondContact CZ-NE2 3.42Å; F299-F313 HydrophobicContact CD1-CD2 4.27Å; F299-F313 HydrophobicContact CD2-CB 4.16Å; F299-F313 HydrophobicContact CD2-CD2 4.07Å; F299-F313 HydrophobicContact CE2-CB 3.77Å; F299-F313 HydrophobicContact CE2-CD2 4.38Å; F299-F313 HydrophobicContact CE2-CG 4.39Å; F299-F313 HydrophobicContact CG-CD2 4.02Å; F299-F313 HydrophobicContact CZ-CB 4.12Å; F299-F313 HydrophobicContact CZ-CG 4.5Å; F299-M316 HydrophobicContact CD2-CE 4.07Å; F299-L372 HydrophobicContact CE1-CD1 3.95Å; F299-L372 HydrophobicContact CZ-CD1 4.11Å |
| 300 | D | 90.6 | Very high | 88.3 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 28% | 0.278 | 31% | 0.309 | S | S | . | . | trans | -90.7 | 87 | -173.9 | -175.4 | 1.5 | 0 | 0 | 0 | 112.7 | A302 N303 H305 | D300-A302 PolarHBondContact O-N 3.12Å; D300-A302 VanDerWaalsContact O-N 3.07Å; D300-A302 WeakPolarHBondContact OD1-CB 3.39Å; D300-A302 PolarHBondContact OD1-N 2.84Å; D300-N303 PolarHBondContact O-N 3Å; D300-N303 PolarHBondContact OD2-ND2 2.77Å; D300-H305 PolarHBondContact O-NE2 2.99Å | ||
| 301 | Y | 91.2 | Very high | 89.6 | Confident | 31 Ų | 31 | 54.2 Ų | 54.2 | 12% | 0.122 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -1.2 | 178.5 | -58.1 | -82.3 | 0 | 0 | 0 | 115.1 | T296 F299 F313 L372 W373 K376 I578 | T296-Y301 WeakPolarHBondContact O-CE2 3.4Å; T296-Y301 PolarHBondContact O-OH 3.14Å; F299-Y301 HydrophobicContact CB-CE2 4.07Å; F299-Y301 AromaticContact CD1-CD1 3.99Å; F299-Y301 HydrophobicContact CD1-CD1 3.99Å; F299-Y301 HydrophobicContact CD1-CD2 4.43Å; F299-Y301 AromaticContact CD1-CE1 3.79Å; F299-Y301 HydrophobicContact CD1-CE1 3.79Å; F299-Y301 HydrophobicContact CD1-CE2 4.26Å; F299-Y301 HydrophobicContact CD1-CG 4.3Å; F299-Y301 AromaticContact CD1-CZ 3.93Å; F299-Y301 HydrophobicContact CE1-CD1 4.44Å; F299-Y301 HydrophobicContact CE1-CE1 4.42Å; F299-Y301 VanDerWaalsContact O-CD2 3.26Å; F299-Y301 WeakPolarHBondContact O-CD2 3.37Å; F299-Y301 WeakPolarHBondContact O-CE2 3.37Å; F299-Y301 PolarHBondContact O-N 2.77Å; Y301-F313 AromaticContact CE1-CE2 3.97Å; Y301-F313 HydrophobicContact CE1-CE2 3.97Å; Y301-F313 HydrophobicContact CE1-CZ 4.19Å; Y301-F313 AromaticContact CZ-CE2 3.95Å; Y301-F313 WeakPolarHBondContact OH-CE2 3.32Å; Y301-L372 HydrophobicContact CD1-CB 4.33Å; Y301-L372 HydrophobicContact CE1-CB 4.39Å; Y301-W373 HydrophobicContact CD1-CB 4.31Å; Y301-K376 HydrophobicContact CE1-CB 3.82Å; Y301-K376 HydrophobicContact CE1-CG 4.36Å; Y301-K376 HydrophobicContact CE2-CB 4.44Å; Y301-K376 HydrophobicContact CE2-CG 4.08Å; Y301-K376 WeakPolarHBondContact OH-CB 3.47Å; Y301-K376 VanDerWaalsContact OH-CG 3.29Å; Y301-K376 WeakPolarHBondContact OH-CG 3Å; Y301-I578 VanDerWaalsContact O-CG2 3.32Å; Y301-I578 WeakPolarHBondContact O-CG2 3.37Å |
| 302 | A | 90.1 | Very high | 90.8 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 28% | 0.281 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 5.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D300 A575 I579 | D300-A302 PolarHBondContact O-N 3.12Å; D300-A302 VanDerWaalsContact O-N 3.07Å; D300-A302 WeakPolarHBondContact OD1-CB 3.39Å; D300-A302 PolarHBondContact OD1-N 2.84Å; A302-A575 CarbonylContact O-C 3.57Å; A302-A575 WeakPolarHBondContact O-CB 3.43Å; A302-I579 HydrophobicContact CB-CD1 3.78Å; A302-I579 HydrophobicContact CB-CG1 4.45Å |
| 303 | N | 91.7 | Very high | 91.7 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 16% | 0.155 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -131.3 | 164 | -178.4 | -82.6 | -63.5 | 0 | 0 | 0 | 113.2 | A287 D300 H305 | A287-N303 HydrophobicContact CB-CB 4.36Å; D300-N303 PolarHBondContact O-N 3Å; D300-N303 PolarHBondContact OD2-ND2 2.77Å; N303-H305 PolarHBondContact O-CD2 2.9Å; N303-H305 PolarHBondContact O-NE2 2.9Å |
| 304 | Y | 93.1 | Very high | 92.5 | Very high | 10 Ų | 10 | 44 Ų | 44 | 4% | 0.039 | 23% | 0.234 | C | C | . | . | trans | -83 | 144 | 171.7 | -67.1 | -57.7 | 0 | 0 | 0 | 110.9 | E280 W365 A369 L573 I578 | E280-Y304 HydrophobicContact CG-CD2 4.36Å; Y304-W365 HydrophobicContact CD1-CB 3.74Å; Y304-W365 HydrophobicContact CD1-CE3 4.15Å; Y304-W365 AromaticContact CD2-CE3 3.79Å; Y304-W365 HydrophobicContact CD2-CE3 3.79Å; Y304-W365 HydrophobicContact CD2-CZ3 4.37Å; Y304-W365 VanDerWaalsContact CE1-C 3.5Å; Y304-W365 HydrophobicContact CE1-CB 3.56Å; Y304-W365 WeakPolarHBondContact CE1-O 3.42Å; Y304-W365 HydrophobicContact CE2-CE3 4.38Å; Y304-W365 HydrophobicContact CG-CB 4.41Å; Y304-W365 AromaticContact CG-CE3 3.66Å; Y304-W365 HydrophobicContact CG-CE3 3.66Å; Y304-W365 HydrophobicContact CG-CZ3 4.35Å; Y304-A369 HydrophobicContact CD1-CB 3.99Å; Y304-A369 HydrophobicContact CE1-CB 4Å; Y304-L573 WeakPolarHBondContact CE2-O 3.47Å; Y304-L573 PolarHBondContact OH-O 3.12Å; Y304-I578 HydrophobicContact CD1-CD1 3.77Å; Y304-I578 HydrophobicContact CD2-CD1 4.36Å; Y304-I578 HydrophobicContact CE1-CD1 3.63Å; Y304-I578 HydrophobicContact CE1-CG1 3.9Å; Y304-I578 HydrophobicContact CE2-CD1 4.26Å; Y304-I578 HydrophobicContact CG-CD1 4.13Å | ||
| 305 | H | 91.6 | Very high | 93.1 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | trans | -126.1 | 146.3 | -173.2 | -67.9 | -66.6 | 0 | 0 | 0 | 112.2 | F299 D300 N303 E309 I310 L372 Y408 H412 | F299-H305 AromaticContact CE1-CD2 3.48Å; F299-H305 VanDerWaalsContact CE1-CD2 3.48Å; F299-H305 WeakPolarHBondContact CE1-CD2 3.4Å; F299-H305 AromaticContact CE1-CE1 3.9Å; F299-H305 AromaticContact CE1-NE2 3.23Å; F299-H305 WeakPolarHBondContact CE1-NE2 3.46Å; F299-H305 AromaticContact CZ-CD2 3.44Å; F299-H305 VanDerWaalsContact CZ-CD2 3.44Å; F299-H305 WeakPolarHBondContact CZ-CD2 3.33Å; F299-H305 AromaticContact CZ-CE1 3.71Å; F299-H305 AromaticContact CZ-CG 3.71Å; F299-H305 AromaticContact CZ-ND1 3.88Å; F299-H305 AromaticContact CZ-NE2 3.42Å; F299-H305 WeakPolarHBondContact CZ-NE2 3.42Å; D300-H305 PolarHBondContact O-NE2 2.99Å; N303-H305 PolarHBondContact O-CD2 2.9Å; N303-H305 PolarHBondContact O-NE2 2.9Å; H305-E309 WeakPolarHBondContact CA-OE2 3.31Å; H305-E309 HydrophobicContact CB-CB 3.96Å; H305-E309 IonicContact ND1-OE2 3.7Å; H305-I310 HydrophobicContact CB-CG1 4.27Å; H305-L372 HydrophobicContact CB-CD1 4.47Å; H305-Y408 WeakPolarHBondContact O-CE1 3.46Å; H305-Y408 PolarHBondContact O-OH 3.48Å; H305-H412 PolarHBondContact O-CE1 2.66Å; H305-H412 VanDerWaalsContact O-CE1 3.29Å; H305-H412 PolarHBondContact O-NE2 2.79Å | ||
| 306 | T | 93.2 | Very high | 93.4 | Very high | 44 Ų | 44 | 36.5 Ų | 36.5 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | trans | -64.2 | 160.1 | 170.5 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | S308 E309 I310 | T306-S308 PolarHBondContact O-N 3.13Å; T306-S308 PolarHBondContact OG1-OG 3.1Å; T306-E309 WeakPolarHBondContact CB-OE2 3.47Å; T306-E309 PolarHBondContact N-OE2 3.25Å; T306-E309 PolarHBondContact O-N 3.18Å; T306-E309 VanDerWaalsContact O-N 3.12Å; T306-E309 VanDerWaalsContact OG1-CD 3.27Å; T306-E309 VanDerWaalsContact OG1-CG 3.3Å; T306-E309 WeakPolarHBondContact OG1-CG 3.4Å; T306-E309 PolarHBondContact OG1-N 2.89Å; T306-E309 PolarHBondContact OG1-OE2 2.86Å; T306-I310 PolarHBondContact O-N 3.32Å | ||
| 307 | L | 93.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -37.2 | 176.8 | -174.1 | 64.7 | 0 | 0 | 0 | 112.7 | I310 Y311 R337 A402 P405 Y408 | L307-I310 PolarHBondContact O-N 3.22Å; L307-Y311 HydrophobicContact CD1-CD1 4.2Å; L307-Y311 HydrophobicContact CD1-CE1 3.62Å; L307-Y311 HydrophobicContact CD2-CE2 4.43Å; L307-Y311 HydrophobicContact CG-CE1 4.16Å; L307-Y311 HydrophobicContact CG-CE2 4.27Å; L307-Y311 PolarHBondContact O-N 3.14Å; L307-R337 VanDerWaalsContact CD2-CD 3.46Å; L307-A402 HydrophobicContact CD1-CB 3.84Å; L307-P405 HydrophobicContact CD1-CB 4.03Å; L307-P405 HydrophobicContact CD2-CB 3.81Å; L307-Y408 HydrophobicContact CB-CD1 4.11Å; L307-Y408 HydrophobicContact CD1-CD1 4.17Å |
| 308 | S | 92.2 | Very high | 94.1 | Very high | 79 Ų | 79 | 32.3 Ų | 32.3 | 55% | 0.552 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64.8 | -37.8 | 177.6 | 38.6 | 0 | 0 | 0 | 0 | 112.9 | T306 Y311 S312 | T306-S308 PolarHBondContact O-N 3.13Å; T306-S308 PolarHBondContact OG1-OG 3.1Å; S308-Y311 PolarHBondContact O-N 3.47Å; S308-S312 WeakPolarHBondContact O-CB 3.46Å; S308-S312 PolarHBondContact O-N 3.03Å; S308-S312 PolarHBondContact O-OG 2.94Å |
| 309 | E | 92.7 | Very high | 94.5 | Very high | 41 Ų | 41 | 33 Ų | 33 | 19% | 0.192 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.3 | -38.6 | 176.6 | -72.2 | 164.1 | 141.8 | 0 | 0 | 110.9 | H305 T306 S312 F313 | H305-E309 WeakPolarHBondContact CA-OE2 3.31Å; H305-E309 HydrophobicContact CB-CB 3.96Å; H305-E309 IonicContact ND1-OE2 3.7Å; T306-E309 WeakPolarHBondContact CB-OE2 3.47Å; T306-E309 PolarHBondContact N-OE2 3.25Å; T306-E309 PolarHBondContact O-N 3.18Å; T306-E309 VanDerWaalsContact O-N 3.12Å; T306-E309 VanDerWaalsContact OG1-CD 3.27Å; T306-E309 VanDerWaalsContact OG1-CG 3.3Å; T306-E309 WeakPolarHBondContact OG1-CG 3.4Å; T306-E309 PolarHBondContact OG1-N 2.89Å; T306-E309 PolarHBondContact OG1-OE2 2.86Å; E309-S312 PolarHBondContact O-N 3.26Å; E309-F313 WeakPolarHBondContact O-CB 3.38Å; E309-F313 PolarHBondContact O-N 3.14Å |
| 310 | I | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59 | -48.6 | 172.2 | -66.5 | 173.5 | 0 | 0 | 0 | 110.8 | H305 T306 L307 S312 F313 Q314 Q368 L372 I401 Y408 | H305-I310 HydrophobicContact CB-CG1 4.27Å; T306-I310 PolarHBondContact O-N 3.32Å; L307-I310 PolarHBondContact O-N 3.22Å; I310-S312 VanDerWaalsContact C-N 3.34Å; I310-S312 PolarHBondContact O-N 3.49Å; I310-F313 WeakPolarHBondContact O-CB 3.39Å; I310-F313 PolarHBondContact O-N 3.16Å; I310-Q314 WeakPolarHBondContact O-CG 3.25Å; I310-Q314 PolarHBondContact O-N 3.27Å; I310-Q368 HydrophobicContact CD1-CB 4.24Å; I310-L372 HydrophobicContact CB-CD2 4.4Å; I310-L372 HydrophobicContact CG1-CD1 4.11Å; I310-L372 HydrophobicContact CG1-CD2 4.2Å; I310-L372 HydrophobicContact CG1-CG 4.48Å; I310-L372 HydrophobicContact CG2-CD2 4.13Å; I310-I401 HydrophobicContact CG2-CB 4.3Å; I310-I401 HydrophobicContact CG2-CG2 3.82Å; I310-Y408 HydrophobicContact CD1-CD1 4.32Å; I310-Y408 HydrophobicContact CD1-CE1 3.53Å |
| 311 | Y | 97.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 14% | 0.137 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 179.2 | -74.1 | 3.1 | 0 | 0 | 0 | 112.2 | L307 S308 F313 Q314 D315 P338 N340 | L307-Y311 HydrophobicContact CD1-CD1 4.2Å; L307-Y311 HydrophobicContact CD1-CE1 3.62Å; L307-Y311 HydrophobicContact CD2-CE2 4.43Å; L307-Y311 HydrophobicContact CG-CE1 4.16Å; L307-Y311 HydrophobicContact CG-CE2 4.27Å; L307-Y311 PolarHBondContact O-N 3.14Å; S308-Y311 PolarHBondContact O-N 3.47Å; Y311-F313 VanDerWaalsContact C-N 3.34Å; Y311-Q314 WeakPolarHBondContact O-CB 3.36Å; Y311-Q314 PolarHBondContact O-N 2.98Å; Y311-D315 PolarHBondContact O-N 3.48Å; Y311-D315 VanDerWaalsContact O-N 3.09Å; Y311-P338 HydrophobicContact CE2-CG 3.82Å; Y311-P338 PolarHBondContact OH-O 2.96Å; Y311-N340 WeakPolarHBondContact CD1-ND2 3.42Å; Y311-N340 WeakPolarHBondContact CE1-ND2 3.44Å |
| 312 | S | 95.6 | Very high | 95.5 | Very high | 65 Ų | 65 | 38 Ų | 38 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.4 | -58 | 0 | 0 | 0 | 0 | 111.6 | S308 E309 I310 D315 M316 | S308-S312 WeakPolarHBondContact O-CB 3.46Å; S308-S312 PolarHBondContact O-N 3.03Å; S308-S312 PolarHBondContact O-OG 2.94Å; E309-S312 PolarHBondContact O-N 3.26Å; I310-S312 VanDerWaalsContact C-N 3.34Å; I310-S312 PolarHBondContact O-N 3.49Å; S312-D315 PolarHBondContact O-N 3.16Å; S312-M316 WeakPolarHBondContact O-CG 3.38Å; S312-M316 PolarHBondContact O-N 3.38Å |
| 313 | F | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 172.4 | 166.6 | -97.2 | 0 | 0 | 0 | 112.2 | T296 F299 Y301 E309 I310 Y311 D315 M316 L317 L372 A375 K376 I401 | T296-F313 HydrophobicContact CG2-CD2 3.9Å; T296-F313 HydrophobicContact CG2-CE2 3.59Å; F299-F313 HydrophobicContact CD1-CD2 4.27Å; F299-F313 HydrophobicContact CD2-CB 4.16Å; F299-F313 HydrophobicContact CD2-CD2 4.07Å; F299-F313 HydrophobicContact CE2-CB 3.77Å; F299-F313 HydrophobicContact CE2-CD2 4.38Å; F299-F313 HydrophobicContact CE2-CG 4.39Å; F299-F313 HydrophobicContact CG-CD2 4.02Å; F299-F313 HydrophobicContact CZ-CB 4.12Å; F299-F313 HydrophobicContact CZ-CG 4.5Å; Y301-F313 AromaticContact CE1-CE2 3.97Å; Y301-F313 HydrophobicContact CE1-CE2 3.97Å; Y301-F313 HydrophobicContact CE1-CZ 4.19Å; Y301-F313 AromaticContact CZ-CE2 3.95Å; Y301-F313 WeakPolarHBondContact OH-CE2 3.32Å; E309-F313 WeakPolarHBondContact O-CB 3.38Å; E309-F313 PolarHBondContact O-N 3.14Å; I310-F313 WeakPolarHBondContact O-CB 3.39Å; I310-F313 PolarHBondContact O-N 3.16Å; Y311-F313 VanDerWaalsContact C-N 3.34Å; F313-D315 VanDerWaalsContact C-N 3.28Å; F313-D315 PolarHBondContact O-N 3.35Å; F313-M316 HydrophobicContact CB-CE 4.47Å; F313-M316 PolarHBondContact O-N 3.47Å; F313-L317 HydrophobicContact CE1-CD2 4.19Å; F313-L317 HydrophobicContact CE2-CD1 4.49Å; F313-L317 HydrophobicContact CZ-CB 4.34Å; F313-L317 HydrophobicContact CZ-CD1 4.22Å; F313-L317 HydrophobicContact CZ-CD2 4.03Å; F313-L317 HydrophobicContact CZ-CG 4.44Å; F313-L317 WeakPolarHBondContact O-CB 3.36Å; F313-L317 PolarHBondContact O-N 2.87Å; F313-L372 HydrophobicContact CB-CD2 4.1Å; F313-L372 HydrophobicContact CD1-CD2 3.16Å; F313-L372 HydrophobicContact CD1-CG 4.47Å; F313-L372 HydrophobicContact CE1-CB 4.43Å; F313-L372 HydrophobicContact CE1-CD2 3.71Å; F313-L372 HydrophobicContact CG-CD2 3.72Å; F313-A375 HydrophobicContact CE1-CB 3.87Å; F313-A375 HydrophobicContact CZ-CB 4.09Å; F313-K376 HydrophobicContact CZ-CB 4.49Å; F313-I401 HydrophobicContact CE1-CD1 4.35Å |
| 314 | Q | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 177 | -68.7 | 175.6 | -33.6 | 0 | 0 | 111.4 | I310 Y311 V318 K327 N340 L342 I401 | I310-Q314 WeakPolarHBondContact O-CG 3.25Å; I310-Q314 PolarHBondContact O-N 3.27Å; Y311-Q314 WeakPolarHBondContact O-CB 3.36Å; Y311-Q314 PolarHBondContact O-N 2.98Å; Q314-V318 WeakPolarHBondContact O-CG2 3.49Å; Q314-V318 PolarHBondContact O-N 3.19Å; Q314-V318 VanDerWaalsContact O-N 3.15Å; Q314-K327 HydrophobicContact CB-CD 4.11Å; Q314-N340 VanDerWaalsContact OE1-CB 3.27Å; Q314-N340 PolarHBondContact OE1-ND2 3.15Å; Q314-L342 HydrophobicContact CB-CD2 4.08Å; Q314-L342 HydrophobicContact CG-CD1 4.16Å; Q314-L342 HydrophobicContact CG-CD2 4.23Å; Q314-L342 HydrophobicContact CG-CG 4.21Å; Q314-I401 HydrophobicContact CG-CD1 4.38Å |
| 315 | D | 97.3 | Very high | 96.4 | Very high | 85 Ų | 85 | 43.2 Ų | 43.2 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 176.4 | -75.7 | -43.2 | 0 | 0 | 0 | 112.6 | Y311 S312 F313 V318 A319 K327 | Y311-D315 PolarHBondContact O-N 3.48Å; Y311-D315 VanDerWaalsContact O-N 3.09Å; S312-D315 PolarHBondContact O-N 3.16Å; F313-D315 VanDerWaalsContact C-N 3.28Å; F313-D315 PolarHBondContact O-N 3.35Å; D315-V318 PolarHBondContact O-N 3.44Å; D315-A319 WeakPolarHBondContact O-CB 3.45Å; D315-A319 PolarHBondContact O-N 3.01Å; D315-K327 WeakPolarHBondContact OD1-CE 3.46Å; D315-K327 IonicContact OD1-NZ 2.87Å; D315-K327 PolarHBondContact OD1-NZ 3.47Å; D315-K327 IonicContact OD2-NZ 2.75Å; D315-K327 PolarHBondContact OD2-NZ 2.9Å; D315-K327 VanDerWaalsContact OD2-NZ 3.08Å |
| 316 | M | 97.3 | Very high | 96.7 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 17% | 0.167 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 174.9 | -70.9 | -172.3 | -68.6 | 0 | 0 | 111.7 | P293 T296 F299 S312 F313 V318 A319 E320 | P293-M316 HydrophobicContact CB-CE 4.42Å; P293-M316 HydrophobicContact CG-CE 4.17Å; T296-M316 HydrophobicContact CG2-CB 3.85Å; F299-M316 HydrophobicContact CD2-CE 4.07Å; S312-M316 WeakPolarHBondContact O-CG 3.38Å; S312-M316 PolarHBondContact O-N 3.38Å; F313-M316 HydrophobicContact CB-CE 4.47Å; F313-M316 PolarHBondContact O-N 3.47Å; M316-V318 VanDerWaalsContact C-N 3.34Å; M316-V318 PolarHBondContact O-N 3.06Å; M316-A319 PolarHBondContact O-N 2.93Å; M316-E320 WeakPolarHBondContact O-CB 3.44Å; M316-E320 VanDerWaalsContact O-CG 3.3Å; M316-E320 WeakPolarHBondContact O-CG 3.27Å; M316-E320 PolarHBondContact O-N 2.89Å |
| 317 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | -178.3 | -169.8 | 72.6 | 0 | 0 | 0 | 112.1 | T296 F313 N321 V325 L342 F344 A375 V379 | T296-L317 HydrophobicContact CG2-CB 3.99Å; T296-L317 HydrophobicContact CG2-CD1 3.97Å; F313-L317 HydrophobicContact CE1-CD2 4.19Å; F313-L317 HydrophobicContact CE2-CD1 4.49Å; F313-L317 HydrophobicContact CZ-CB 4.34Å; F313-L317 HydrophobicContact CZ-CD1 4.22Å; F313-L317 HydrophobicContact CZ-CD2 4.03Å; F313-L317 HydrophobicContact CZ-CG 4.44Å; F313-L317 WeakPolarHBondContact O-CB 3.36Å; F313-L317 PolarHBondContact O-N 2.87Å; L317-N321 WeakPolarHBondContact O-CB 3.46Å; L317-N321 PolarHBondContact O-N 3.39Å; L317-N321 VanDerWaalsContact O-N 3.11Å; L317-N321 PolarHBondContact O-ND2 2.93Å; L317-V325 HydrophobicContact CD2-CG1 4.38Å; L317-L342 HydrophobicContact CD2-CD1 3.82Å; L317-F344 HydrophobicContact CD2-CE1 4.28Å; L317-F344 HydrophobicContact CD2-CZ 4.28Å; L317-A375 HydrophobicContact CD2-CB 3.74Å; L317-V379 HydrophobicContact CD1-CG1 4.07Å; L317-V379 HydrophobicContact CD1-CG2 3.75Å; L317-V379 HydrophobicContact CG-CG1 4.41Å |
| 318 | V | 98.5 | Very high | 97.2 | Very high | 35 Ų | 35 | 47.8 Ų | 47.8 | 21% | 0.212 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 175.1 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | Q314 D315 M316 E320 N321 P322 V325 K327 L342 | Q314-V318 WeakPolarHBondContact O-CG2 3.49Å; Q314-V318 PolarHBondContact O-N 3.19Å; Q314-V318 VanDerWaalsContact O-N 3.15Å; D315-V318 PolarHBondContact O-N 3.44Å; M316-V318 VanDerWaalsContact C-N 3.34Å; M316-V318 PolarHBondContact O-N 3.06Å; V318-E320 VanDerWaalsContact C-N 3.27Å; V318-E320 PolarHBondContact O-N 3.11Å; V318-N321 CarbonylContact O-C 3.59Å; V318-N321 PolarHBondContact O-N 3.31Å; V318-P322 WeakPolarHBondContact O-CA 3.38Å; V318-V325 HydrophobicContact CG2-CG1 3.93Å; V318-K327 HydrophobicContact CG2-CB 3.97Å; V318-L342 HydrophobicContact CG2-CD2 4.02Å |
| 319 | A | 97.9 | Very high | 97.5 | Very high | 78 Ų | 78 | 48.1 Ų | 48.1 | 65% | 0.645 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.1 | -36 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D315 M316 | D315-A319 WeakPolarHBondContact O-CB 3.45Å; D315-A319 PolarHBondContact O-N 3.01Å; M316-A319 PolarHBondContact O-N 2.93Å |
| 320 | E | 97.5 | Very high | 97.8 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.7 | -26 | 178.2 | -71.5 | 168.3 | -157.4 | 0 | 0 | 113.3 | N295 T296 M316 V318 P322 | N295-E320 WeakPolarHBondContact CA-OE1 3.39Å; N295-E320 WeakPolarHBondContact CB-OE1 3.16Å; T296-E320 WeakPolarHBondContact CB-OE2 3.26Å; T296-E320 WeakPolarHBondContact CG2-OE2 3.43Å; T296-E320 PolarHBondContact N-OE1 3.03Å; T296-E320 PolarHBondContact OG1-OE2 3.09Å; M316-E320 WeakPolarHBondContact O-CB 3.44Å; M316-E320 VanDerWaalsContact O-CG 3.3Å; M316-E320 WeakPolarHBondContact O-CG 3.27Å; M316-E320 PolarHBondContact O-N 2.89Å; V318-E320 VanDerWaalsContact C-N 3.27Å; V318-E320 PolarHBondContact O-N 3.11Å; E320-P322 VanDerWaalsContact C-CD 3.43Å |
| 321 | N | 97.7 | Very high | 97.8 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 21% | 0.214 | 28% | 0.283 | C | S | . | . | trans | -129.8 | 49.8 | -172.4 | -55.6 | -87.6 | 0 | 0 | 0 | 113.2 | L317 V318 N323 L324 V325 V379 | L317-N321 WeakPolarHBondContact O-CB 3.46Å; L317-N321 PolarHBondContact O-N 3.39Å; L317-N321 VanDerWaalsContact O-N 3.11Å; L317-N321 PolarHBondContact O-ND2 2.93Å; V318-N321 CarbonylContact O-C 3.59Å; V318-N321 PolarHBondContact O-N 3.31Å; N321-N323 PolarHBondContact O-N 2.66Å; N321-L324 PolarHBondContact O-N 3.45Å; N321-V325 HydrophobicContact CB-CB 4.27Å; N321-V325 HydrophobicContact CB-CG2 3.75Å; N321-V325 PolarHBondContact O-N 3.13Å; N321-V379 HydrophobicContact CB-CG1 4.32Å | ||
| 322 | P | 97.6 | Very high | 97.8 | Very high | 91 Ų | 91 | 52.8 Ų | 52.8 | 59% | 0.591 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19 | -166.9 | 27.3 | -37.1 | 0 | 0 | 0 | 114.7 | V318 E320 | V318-P322 WeakPolarHBondContact O-CA 3.38Å; E320-P322 VanDerWaalsContact C-CD 3.43Å |
| 323 | N | 96.4 | Very high | 97.9 | Very high | 159 Ų | 159 | 50 Ų | 50 | 85% | 0.85 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -9.6 | 178.3 | -64.6 | -36.2 | 0 | 0 | 0 | 113.6 | N321 | N321-N323 PolarHBondContact O-N 2.66Š|
| 324 | L | 98 | Very high | 97.8 | Very high | 19 Ų | 19 | 55.3 Ų | 55.3 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -36.6 | -176.4 | -178.6 | 64.5 | 0 | 0 | 0 | 111.8 | N321 F344 S345 T346 V379 Y382 L392 | N321-L324 PolarHBondContact O-N 3.45Å; L324-F344 CarbonylContact O-C 3.58Å; L324-F344 VanDerWaalsContact O-CA 3.29Å; L324-F344 WeakPolarHBondContact O-CA 3.43Å; L324-S345 PolarHBondContact O-N 3.46Å; L324-T346 HydrophobicContact CD1-CG2 4Å; L324-V379 HydrophobicContact CD2-CG1 4.28Å; L324-Y382 HydrophobicContact CD1-CD1 4.12Å; L324-Y382 HydrophobicContact CD1-CE1 4.16Å; L324-Y382 HydrophobicContact CD1-CG 4.37Å; L324-Y382 HydrophobicContact CD2-CD1 3.66Å; L324-Y382 HydrophobicContact CD2-CE1 4.41Å; L324-Y382 HydrophobicContact CD2-CG 3.93Å; L324-L392 HydrophobicContact CD1-CD1 4.39Å |
| 325 | V | 98.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.1 | -171.7 | -166.7 | 0 | 0 | 0 | 0 | 110.6 | L317 V318 N321 L342 K343 F344 V379 | L317-V325 HydrophobicContact CD2-CG1 4.38Å; V318-V325 HydrophobicContact CG2-CG1 3.93Å; N321-V325 HydrophobicContact CB-CB 4.27Å; N321-V325 HydrophobicContact CB-CG2 3.75Å; N321-V325 PolarHBondContact O-N 3.13Å; V325-L342 HydrophobicContact CG1-CD2 4Å; V325-K343 WeakPolarHBondContact CA-O 3.46Å; V325-F344 HydrophobicContact CG1-CD1 4.35Å; V325-F344 HydrophobicContact CG1-CE1 4.08Å; V325-F344 HydrophobicContact CG1-CZ 4.47Å; V325-F344 HydrophobicContact CG2-CD1 3.61Å; V325-F344 HydrophobicContact CG2-CE1 3.68Å; V325-V379 HydrophobicContact CG2-CG1 3.5Å |
| 326 | S | 98.7 | Very high | 97.1 | Very high | 50 Ų | 50 | 57.3 Ų | 57.3 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 152 | 169.7 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | K343 | S326-K343 PolarHBondContact N-O 3.32Å; S326-K343 PolarHBondContact O-N 2.84Å |
| 327 | K | 98.4 | Very high | 97 | Very high | 67 Ų | 67 | 58 Ų | 58 | 29% | 0.291 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.4 | 174.2 | -176.4 | 172 | 66.3 | 171.6 | 0 | 109.7 | Q314 D315 V318 N340 L342 | Q314-K327 HydrophobicContact CB-CD 4.11Å; D315-K327 WeakPolarHBondContact OD1-CE 3.46Å; D315-K327 IonicContact OD1-NZ 2.87Å; D315-K327 PolarHBondContact OD1-NZ 3.47Å; D315-K327 IonicContact OD2-NZ 2.75Å; D315-K327 PolarHBondContact OD2-NZ 2.9Å; D315-K327 VanDerWaalsContact OD2-NZ 3.08Å; V318-K327 HydrophobicContact CG2-CB 3.97Å; K327-N340 HydrophobicContact CD-CB 4.11Å; K327-N340 HydrophobicContact CG-CB 4.28Å; K327-L342 HydrophobicContact CB-CD2 4.4Å |
| 328 | I | 98.2 | Very high | 97 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 26% | 0.262 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 137.8 | 178.9 | -54.7 | 173.6 | 0 | 0 | 0 | 108.1 | I330 V341 K343 F398 | I328-I330 HydrophobicContact CG2-CG2 4.15Å; I328-V341 PolarHBondContact N-O 2.78Å; I328-V341 PolarHBondContact O-N 3.41Å; I328-K343 HydrophobicContact CD1-CB 3.76Å; I328-K343 HydrophobicContact CD1-CD 3.95Å; I328-K343 HydrophobicContact CD1-CG 4.4Å; I328-K343 HydrophobicContact CG1-CB 4.36Å; I328-F398 HydrophobicContact CD1-CD1 4.43Å; I328-F398 HydrophobicContact CD1-CE1 3.85Å |
| 329 | V | 98.7 | Very high | 97 | Very high | 85 Ų | 85 | 58.6 Ų | 58.6 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 112.9 | 170.8 | -177.7 | 0 | 0 | 0 | 0 | 108 | G331 P338 L339 | V329-G331 VanDerWaalsContact CG1-O 3.26Å; V329-G331 WeakPolarHBondContact CG1-O 3.28Å; V329-P338 HydrophobicContact CG1-CB 4.02Å; V329-P338 HydrophobicContact CG2-CB 4.43Å; V329-L339 WeakPolarHBondContact CA-O 3.46Å |
| 330 | I | 98.6 | Very high | 97.1 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -6.6 | -176.9 | 64.2 | 164.9 | 0 | 0 | 0 | 113.2 | I328 L339 V341 W355 S470 I471 F474 | I328-I330 HydrophobicContact CG2-CG2 4.15Å; I330-L339 HydrophobicContact CD1-CB 4.45Å; I330-L339 HydrophobicContact CG1-CB 3.72Å; I330-L339 PolarHBondContact N-O 3Å; I330-V341 HydrophobicContact CB-CG2 4.49Å; I330-V341 HydrophobicContact CD1-CG2 3.9Å; I330-V341 HydrophobicContact CG1-CG2 4.02Å; I330-V341 HydrophobicContact CG2-CB 4.36Å; I330-V341 HydrophobicContact CG2-CG2 3.68Å; I330-W355 HydrophobicContact CD1-CH2 4.03Å; I330-S470 PolarHBondContact O-OG 3.34Å; I330-I471 HydrophobicContact CD1-CG1 4.06Å; I330-F474 HydrophobicContact CB-CD2 4.45Å; I330-F474 HydrophobicContact CG2-CB 4.39Å; I330-F474 HydrophobicContact CG2-CD2 3.54Å; I330-F474 HydrophobicContact CG2-CE2 4.09Å; I330-F474 HydrophobicContact CG2-CG 4.11Å |
| 331 | G | 98.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163 | -158.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V329 L339 S470 | V329-G331 VanDerWaalsContact CG1-O 3.26Å; V329-G331 WeakPolarHBondContact CG1-O 3.28Å; G331-L339 PolarHBondContact O-N 3.21Å; G331-S470 WeakPolarHBondContact CA-OG 3.38Å |
| 332 | Q | 97.8 | Very high | 97.2 | Very high | 126 Ų | 126 | 49.9 Ų | 49.9 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 146.5 | 176.7 | -64.9 | 178.5 | 9 | 0 | 0 | 109.1 | R337 S466 | Q332-R337 CarbonylContact C-O 3.49Å; Q332-R337 VanDerWaalsContact CA-O 3.25Å; Q332-R337 WeakPolarHBondContact CA-O 2.94Å; Q332-S466 WeakPolarHBondContact O-CB 3.04Å |
| 333 | S | 97.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | trans | -67.5 | 175 | 168.8 | 67.6 | 0 | 0 | 0 | 0 | 111.8 | E335 G336 R337 D406 E467 | S333-E335 VanDerWaalsContact C-N 3.31Å; S333-E335 PolarHBondContact O-N 3.36Å; S333-G336 PolarHBondContact O-N 2.91Å; S333-R337 PolarHBondContact N-O 3.4Å; S333-R337 WeakPolarHBondContact OG-CB 3.38Å; S333-R337 PolarHBondContact OG-N 3.48Å; S333-R337 PolarHBondContact OG-O 3.26Å; S333-D406 VanDerWaalsContact CB-CG 3.44Å; S333-D406 VanDerWaalsContact CB-OD1 3.23Å; S333-D406 WeakPolarHBondContact CB-OD1 3.39Å; S333-D406 VanDerWaalsContact CB-OD2 3.26Å; S333-D406 WeakPolarHBondContact CB-OD2 3.08Å; S333-D406 PolarHBondContact OG-OD1 3.2Å; S333-D406 PolarHBondContact OG-OD2 3.3Å; S333-D406 VanDerWaalsContact OG-OD2 3.11Å; S333-E467 WeakPolarHBondContact CA-OE1 2.95Å; S333-E467 VanDerWaalsContact CB-OE1 3.24Å; S333-E467 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 334 | Y | 93.6 | Very high | 97.4 | Very high | 112 Ų | 112 | 40 Ų | 40 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -41.9 | 179.1 | 180 | -96.9 | 0 | 0 | 0 | 112.8 | G336 D406 K423 P424 S466 E467 | Y334-G336 PolarHBondContact O-N 3.09Å; Y334-D406 PolarHBondContact N-OD2 3.13Å; Y334-K423 HydrophobicContact CD1-CB 4.3Å; Y334-K423 HydrophobicContact CD2-CB 3.85Å; Y334-K423 HydrophobicContact CD2-CD 4Å; Y334-K423 HydrophobicContact CD2-CG 3.62Å; Y334-K423 HydrophobicContact CE2-CB 4.28Å; Y334-K423 HydrophobicContact CE2-CD 4.27Å; Y334-K423 HydrophobicContact CE2-CG 3.67Å; Y334-K423 HydrophobicContact CG-CB 3.86Å; Y334-K423 HydrophobicContact CG-CG 4.16Å; Y334-P424 HydrophobicContact CE1-CG 4.1Å; Y334-P424 VanDerWaalsContact OH-CD 3.28Å; Y334-P424 WeakPolarHBondContact OH-CD 3.31Å; Y334-S466 PolarHBondContact N-OG 3.4Å; Y334-E467 PolarHBondContact N-OE1 3.04Å |
| 335 | E | 88.9 | Confident | 97.4 | Very high | 89 Ų | 89 | 39.8 Ų | 39.8 | 42% | 0.416 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 12.1 | 178.4 | -59.9 | -178.9 | 169.7 | 0 | 0 | 112.8 | S333 R337 D406 R422 | S333-E335 VanDerWaalsContact C-N 3.31Å; S333-E335 PolarHBondContact O-N 3.36Å; E335-R337 IonicContact OE2-CZ 3.95Å; E335-R337 IonicContact OE2-NH1 3.12Å; E335-R337 PolarHBondContact OE2-NH1 3.49Å; E335-R337 IonicContact OE2-NH2 3.98Å; E335-R337 PolarHBondContact OE2-NH2 3.48Å; E335-D406 WeakPolarHBondContact CB-OD2 3.41Å; E335-D406 HydrophobicContact CG-CB 4.37Å; E335-D406 WeakPolarHBondContact CG-OD2 3.28Å; E335-D406 PolarHBondContact N-OD2 3.33Å; E335-R422 HydrophobicContact CG-CB 4.4Å; E335-R422 WeakPolarHBondContact OE1-CB 3.39Å; E335-R422 IonicContact OE1-NE 2.77Å |
| 336 | G | 92.4 | Very high | 97.4 | Very high | 39 Ų | 39 | 42 Ų | 42 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 83.3 | 16.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S333 Y334 | S333-G336 PolarHBondContact O-N 2.91Å; Y334-G336 PolarHBondContact O-N 3.09Å |
| 337 | R | 96.5 | Very high | 97.1 | Very high | 47 Ų | 47 | 41.3 Ų | 41.3 | 18% | 0.177 | 23% | 0.228 | C | C | . | . | trans | -80 | 140.5 | 175 | -59 | -174.7 | 179.6 | 71.9 | -0.4 | 110.1 | L307 Q332 S333 E335 L339 P405 D406 Y409 | L307-R337 VanDerWaalsContact CD2-CD 3.46Å; Q332-R337 CarbonylContact C-O 3.49Å; Q332-R337 VanDerWaalsContact CA-O 3.25Å; Q332-R337 WeakPolarHBondContact CA-O 2.94Å; S333-R337 PolarHBondContact N-O 3.4Å; S333-R337 WeakPolarHBondContact OG-CB 3.38Å; S333-R337 PolarHBondContact OG-N 3.48Å; S333-R337 PolarHBondContact OG-O 3.26Å; E335-R337 IonicContact OE2-CZ 3.95Å; E335-R337 IonicContact OE2-NH1 3.12Å; E335-R337 PolarHBondContact OE2-NH1 3.49Å; E335-R337 IonicContact OE2-NH2 3.98Å; E335-R337 PolarHBondContact OE2-NH2 3.48Å; R337-L339 PolarHBondContact O-N 3.34Å; R337-P405 HydrophobicContact CB-CB 4.33Å; R337-P405 HydrophobicContact CB-CG 4.22Å; R337-D406 IonicContact CZ-OD1 3.39Å; R337-D406 VanDerWaalsContact NH1-CG 3.35Å; R337-D406 IonicContact NH1-OD1 3.6Å; R337-D406 PolarHBondContact NH1-OD1 3.19Å; R337-Y409 VanDerWaalsContact NH2-CG 3.32Å | ||
| 338 | P | 97.2 | Very high | 96.8 | Very high | 48 Ų | 48 | 41.4 Ų | 41.4 | 31% | 0.312 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135.5 | 180 | 28.6 | -35.3 | 0 | 0 | 0 | 111.4 | Y311 V329 N340 | Y311-P338 HydrophobicContact CE2-CG 3.82Å; Y311-P338 PolarHBondContact OH-O 2.96Å; V329-P338 HydrophobicContact CG1-CB 4.02Å; V329-P338 HydrophobicContact CG2-CB 4.43Å; P338-N340 PolarHBondContact O-N 3.44Å |
| 339 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 93.6 | 172.2 | -59.7 | 174.6 | 0 | 0 | 0 | 108.7 | V329 I330 G331 R337 P405 E467 | V329-L339 WeakPolarHBondContact CA-O 3.46Å; I330-L339 HydrophobicContact CD1-CB 4.45Å; I330-L339 HydrophobicContact CG1-CB 3.72Å; I330-L339 PolarHBondContact N-O 3Å; G331-L339 PolarHBondContact O-N 3.21Å; R337-L339 PolarHBondContact O-N 3.34Å; L339-P405 HydrophobicContact CD2-CG 3.77Å; L339-E467 HydrophobicContact CD2-CG 4.25Å |
| 340 | N | 98.7 | Very high | 96.1 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 123.1 | -172 | -67.6 | -33 | 0 | 0 | 0 | 111.6 | Y311 Q314 K327 P338 | Y311-N340 WeakPolarHBondContact CD1-ND2 3.42Å; Y311-N340 WeakPolarHBondContact CE1-ND2 3.44Å; Q314-N340 VanDerWaalsContact OE1-CB 3.27Å; Q314-N340 PolarHBondContact OE1-ND2 3.15Å; K327-N340 HydrophobicContact CD-CB 4.11Å; K327-N340 HydrophobicContact CG-CB 4.28Å; P338-N340 PolarHBondContact O-N 3.44Å |
| 341 | V | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.7 | 174.5 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | I328 I330 W355 F398 E400 | I328-V341 PolarHBondContact N-O 2.78Å; I328-V341 PolarHBondContact O-N 3.41Å; I330-V341 HydrophobicContact CB-CG2 4.49Å; I330-V341 HydrophobicContact CD1-CG2 3.9Å; I330-V341 HydrophobicContact CG1-CG2 4.02Å; I330-V341 HydrophobicContact CG2-CB 4.36Å; I330-V341 HydrophobicContact CG2-CG2 3.68Å; V341-W355 HydrophobicContact CG1-CH2 4.43Å; V341-W355 HydrophobicContact CG1-CZ3 4.19Å; V341-W355 HydrophobicContact CG2-CH2 3.85Å; V341-W355 HydrophobicContact CG2-CZ3 4.27Å; V341-F398 HydrophobicContact CG1-CB 3.86Å; V341-F398 HydrophobicContact CG1-CD1 3.98Å; V341-F398 HydrophobicContact CG1-CG 4.41Å; V341-E400 HydrophobicContact CG2-CB 4.14Å; V341-E400 HydrophobicContact CG2-CG 4.16Å |
| 342 | L | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 124.3 | 168.7 | -68.5 | 174.7 | 0 | 0 | 0 | 109.3 | Q314 L317 V318 V325 K327 F344 A375 F398 L399 I401 | Q314-L342 HydrophobicContact CB-CD2 4.08Å; Q314-L342 HydrophobicContact CG-CD1 4.16Å; Q314-L342 HydrophobicContact CG-CD2 4.23Å; Q314-L342 HydrophobicContact CG-CG 4.21Å; L317-L342 HydrophobicContact CD2-CD1 3.82Å; V318-L342 HydrophobicContact CG2-CD2 4.02Å; V325-L342 HydrophobicContact CG1-CD2 4Å; K327-L342 HydrophobicContact CB-CD2 4.4Å; L342-F344 HydrophobicContact CB-CE2 3.8Å; L342-F344 HydrophobicContact CB-CZ 4.07Å; L342-F344 HydrophobicContact CD1-CZ 4.16Å; L342-A375 HydrophobicContact CD1-CB 3.9Å; L342-F398 CarbonylContact O-C 3.6Å; L342-F398 WeakPolarHBondContact O-CA 3.42Å; L342-L399 HydrophobicContact CB-CB 4.48Å; L342-L399 PolarHBondContact N-O 2.48Å; L342-L399 PolarHBondContact O-N 2.98Å; L342-I401 HydrophobicContact CD1-CD1 4.04Å |
| 343 | K | 98.8 | Very high | 96 | Very high | 43 Ų | 43 | 39.6 Ų | 39.6 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.6 | 171.1 | 175.3 | -179 | 178.2 | 157.4 | 0 | 109.4 | V325 S326 I328 D396 I397 F398 | V325-K343 WeakPolarHBondContact CA-O 3.46Å; S326-K343 PolarHBondContact N-O 3.32Å; S326-K343 PolarHBondContact O-N 2.84Å; I328-K343 HydrophobicContact CD1-CB 3.76Å; I328-K343 HydrophobicContact CD1-CD 3.95Å; I328-K343 HydrophobicContact CD1-CG 4.4Å; I328-K343 HydrophobicContact CG1-CB 4.36Å; K343-D396 WeakPolarHBondContact CE-OD2 3.25Å; K343-D396 IonicContact NZ-OD2 2.95Å; K343-D396 PolarHBondContact NZ-OD2 3.47Å; K343-I397 WeakPolarHBondContact CA-O 3.46Å; K343-F398 HydrophobicContact CB-CD1 3.9Å; K343-F398 HydrophobicContact CB-CE1 3.73Å; K343-F398 HydrophobicContact CD-CE1 3.67Å; K343-F398 HydrophobicContact CD-CZ 4.01Å; K343-F398 HydrophobicContact CG-CD1 4.11Å; K343-F398 HydrophobicContact CG-CE1 3.59Å; K343-F398 HydrophobicContact CG-CZ 4.15Å |
| 344 | F | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.6 | 169.8 | -54.1 | -95 | 0 | 0 | 0 | 109.1 | L317 L324 V325 L342 A375 I378 V379 L392 D396 I397 L399 | L317-F344 HydrophobicContact CD2-CE1 4.28Å; L317-F344 HydrophobicContact CD2-CZ 4.28Å; L324-F344 CarbonylContact O-C 3.58Å; L324-F344 VanDerWaalsContact O-CA 3.29Å; L324-F344 WeakPolarHBondContact O-CA 3.43Å; V325-F344 HydrophobicContact CG1-CD1 4.35Å; V325-F344 HydrophobicContact CG1-CE1 4.08Å; V325-F344 HydrophobicContact CG1-CZ 4.47Å; V325-F344 HydrophobicContact CG2-CD1 3.61Å; V325-F344 HydrophobicContact CG2-CE1 3.68Å; L342-F344 HydrophobicContact CB-CE2 3.8Å; L342-F344 HydrophobicContact CB-CZ 4.07Å; L342-F344 HydrophobicContact CD1-CZ 4.16Å; F344-A375 HydrophobicContact CZ-CB 4.02Å; F344-I378 HydrophobicContact CB-CG2 4.19Å; F344-I378 HydrophobicContact CD1-CB 4.09Å; F344-I378 HydrophobicContact CD1-CG2 3.41Å; F344-I378 VanDerWaalsContact CD1-CG2 3.41Å; F344-I378 HydrophobicContact CD2-CD1 4.03Å; F344-I378 HydrophobicContact CD2-CG2 4.49Å; F344-I378 HydrophobicContact CE1-CB 4.03Å; F344-I378 HydrophobicContact CE1-CD1 4.37Å; F344-I378 HydrophobicContact CE1-CG2 3.88Å; F344-I378 HydrophobicContact CE2-CD1 3.85Å; F344-I378 HydrophobicContact CG-CD1 4.39Å; F344-I378 HydrophobicContact CG-CG2 3.78Å; F344-I378 HydrophobicContact CZ-CB 4.48Å; F344-I378 HydrophobicContact CZ-CD1 4.04Å; F344-V379 HydrophobicContact CD1-CG1 4.23Å; F344-V379 HydrophobicContact CE1-CG1 3.86Å; F344-L392 HydrophobicContact CB-CD2 3.78Å; F344-D396 WeakPolarHBondContact O-CA 3.3Å; F344-I397 HydrophobicContact CB-CB 4.24Å; F344-I397 HydrophobicContact CD2-CB 4.25Å; F344-I397 HydrophobicContact CD2-CG2 4.29Å; F344-I397 PolarHBondContact N-O 2.78Å; F344-I397 PolarHBondContact O-N 3.29Å; F344-L399 HydrophobicContact CE2-CB 3.94Å; F344-L399 HydrophobicContact CE2-CD2 4.24Å |
| 345 | S | 98.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 34 Ų | 34 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -155.2 | 145.6 | -173.9 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | L324 G347 D396 | L324-S345 PolarHBondContact O-N 3.46Å; S345-G347 PolarHBondContact OG-N 3.02Å; S345-G347 PolarHBondContact OG-O 3.08Å; S345-D396 WeakPolarHBondContact CB-OD1 3.46Å; S345-D396 PolarHBondContact OG-OD1 2.79Å | ||
| 346 | T | 97.9 | Very high | 96.8 | Very high | 50 Ų | 50 | 29.9 Ų | 29.9 | 31% | 0.307 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -100.4 | 16.9 | 174 | 55.3 | 0 | 0 | 0 | 0 | 112.2 | L324 R351 Y382 L392 | L324-T346 HydrophobicContact CD1-CG2 4Å; T346-R351 PolarHBondContact OG1-NH1 3.29Å; T346-R351 PolarHBondContact OG1-NH2 3.49Å; T346-Y382 HydrophobicContact CG2-CE1 4.34Å; T346-Y382 HydrophobicContact CG2-CE2 3.78Å; T346-Y382 VanDerWaalsContact CG2-CZ 3.49Å; T346-Y382 WeakPolarHBondContact CG2-OH 3.49Å; T346-L392 HydrophobicContact CG2-CB 4.45Å; T346-L392 VanDerWaalsContact CG2-O 3.24Å; T346-L392 WeakPolarHBondContact CG2-O 3.34Å; T346-L392 PolarHBondContact OG1-O 3.47Å |
| 347 | G | 92.9 | Very high | 97.1 | Very high | 37 Ų | 37 | 28 Ų | 28 | 38% | 0.381 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 104.2 | -163.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S345 R351 | S345-G347 PolarHBondContact OG-N 3.02Å; S345-G347 PolarHBondContact OG-O 3.08Å; G347-R351 WeakPolarHBondContact O-CD 3.32Å; G347-R351 PolarHBondContact O-NH1 2.94Å |
| 348 | G | 92.2 | Very high | 97.2 | Very high | 68 Ų | 68 | 25.8 Ų | 25.8 | 70% | 0.701 | 18% | 0.175 | S | C | * | . | trans | 83.5 | 171.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 349 | S | 90.9 | Very high | 97.3 | Very high | 117 Ų | 117 | 23.5 Ų | 23.5 | 82% | 0.818 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -120 | 131.7 | -179.7 | -174.7 | 0 | 0 | 0 | 0 | 110 | R351 | S349-R351 VanDerWaalsContact C-N 3.3Å; S349-R351 PolarHBondContact O-N 2.9Å |
| 350 | N | 90.8 | Very high | 97.3 | Very high | 90 Ų | 90 | 23.5 Ų | 23.5 | 48% | 0.481 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 46.7 | 47.3 | 178.7 | -164 | 23 | 0 | 0 | 0 | 114.3 | H478 N480 | N350-H478 PolarHBondContact OD1-O 3.46Å; N350-N480 PolarHBondContact O-ND2 3.26Å; N350-N480 WeakPolarHBondContact OD1-CB 3.24Å |
| 351 | R | 96.6 | Very high | 97.3 | Very high | 29 Ų | 29 | 23.3 Ų | 23.3 | 11% | 0.109 | 16% | 0.159 | C | C | . | . | trans | -66.4 | 154.4 | 178.2 | -77.1 | 168.9 | 61.9 | 179.1 | -10.5 | 111.1 | T346 G347 S349 A353 L392 N393 N394 M395 D396 H478 | T346-R351 PolarHBondContact OG1-NH1 3.29Å; T346-R351 PolarHBondContact OG1-NH2 3.49Å; G347-R351 WeakPolarHBondContact O-CD 3.32Å; G347-R351 PolarHBondContact O-NH1 2.94Å; S349-R351 VanDerWaalsContact C-N 3.3Å; S349-R351 PolarHBondContact O-N 2.9Å; R351-A353 PolarHBondContact O-N 3.37Å; R351-L392 PolarHBondContact NH2-O 2.96Å; R351-N393 PolarHBondContact NH2-O 2.83Å; R351-N394 PolarHBondContact NE-O 3.3Å; R351-M395 PolarHBondContact NH2-O 2.96Å; R351-D396 IonicContact CZ-OD1 3.82Å; R351-D396 IonicContact NE-OD1 2.84Å; R351-H478 PolarHBondContact O-CE1 3.21Å | ||
| 352 | P | 98.1 | Very high | 97.2 | Very high | 37 Ų | 37 | 23.3 Ų | 23.3 | 24% | 0.24 | 16% | 0.159 | C | C | . | . | trans | -51.5 | 134.8 | 167.1 | -23.7 | 34.2 | 0 | 0 | 0 | 109.8 | M395 D396 N480 K482 | P352-M395 HydrophobicContact CB-CE 3.88Å; P352-M395 HydrophobicContact CB-CG 4.33Å; P352-M395 CarbonylContact O-C 3.49Å; P352-M395 WeakPolarHBondContact O-CA 3.33Å; P352-M395 VanDerWaalsContact O-CB 3.26Å; P352-M395 WeakPolarHBondContact O-CB 3.33Å; P352-D396 PolarHBondContact O-N 2.89Å; P352-N480 CarbonylContact C-O 3.52Å; P352-N480 WeakPolarHBondContact CA-O 3.45Å; P352-K482 HydrophobicContact CB-CG 3.81Å | ||
| 353 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 156.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R351 D396 F398 N480 I481 K482 | R351-A353 PolarHBondContact O-N 3.37Å; A353-D396 CarbonylContact C-O 3.43Å; A353-D396 WeakPolarHBondContact CA-O 3.27Å; A353-D396 HydrophobicContact CB-CB 4.16Å; A353-F398 HydrophobicContact CB-CD2 3.84Å; A353-F398 HydrophobicContact CB-CE2 3.59Å; A353-N480 PolarHBondContact N-O 3.47Å; A353-I481 HydrophobicContact CB-CG1 4.26Å; A353-I481 CarbonylContact O-C 3.6Å; A353-I481 WeakPolarHBondContact O-CA 3.17Å; A353-K482 PolarHBondContact O-N 3.46Å |
| 354 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 129.9 | 170.1 | -65.7 | 149.9 | 0 | 0 | 0 | 107.4 | I356 I391 M395 D396 I397 F398 A483 I485 M593 T596 | I354-I356 HydrophobicContact CG2-CD1 4.46Å; I354-I356 HydrophobicContact CG2-CG1 4.11Å; I354-I391 HydrophobicContact CD1-CG2 3.98Å; I354-M395 HydrophobicContact CD1-CE 4.05Å; I354-M395 HydrophobicContact CD1-SD 3.95Å; I354-M395 HydrophobicContact CG1-CE 3.85Å; I354-M395 HydrophobicContact CG1-SD 4.41Å; I354-D396 PolarHBondContact N-O 3.03Å; I354-I397 HydrophobicContact CB-CG1 4.46Å; I354-I397 HydrophobicContact CD1-CG1 4.49Å; I354-I397 CarbonylContact O-C 3.6Å; I354-I397 WeakPolarHBondContact O-CA 3.36Å; I354-F398 PolarHBondContact O-N 2.76Å; I354-A483 HydrophobicContact CG1-CB 4.17Å; I354-A483 HydrophobicContact CG2-CB 4.29Å; I354-I485 HydrophobicContact CG2-CD1 4.08Å; I354-M593 HydrophobicContact CD1-CB 3.86Å; I354-M593 HydrophobicContact CD1-CG 3.77Å; I354-M593 HydrophobicContact CD1-SD 4.22Å; I354-M593 HydrophobicContact CG2-CG 4.16Å; I354-M593 HydrophobicContact CG2-SD 4.39Å; I354-T596 HydrophobicContact CG1-CG2 4.3Å |
| 355 | W | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 134.4 | 172.8 | 177.7 | -79 | 0 | 0 | 0 | 110.3 | I330 V341 D357 F398 E400 I471 F474 I481 A483 F484 I485 | I330-W355 HydrophobicContact CD1-CH2 4.03Å; V341-W355 HydrophobicContact CG1-CH2 4.43Å; V341-W355 HydrophobicContact CG1-CZ3 4.19Å; V341-W355 HydrophobicContact CG2-CH2 3.85Å; V341-W355 HydrophobicContact CG2-CZ3 4.27Å; W355-D357 PolarHBondContact NE1-OD2 2.92Å; W355-F398 HydrophobicContact CD2-CB 4.49Å; W355-F398 HydrophobicContact CE3-CB 3.74Å; W355-F398 HydrophobicContact CE3-CG 4.43Å; W355-F398 HydrophobicContact CZ3-CB 4.19Å; W355-E400 HydrophobicContact CH2-CB 4.34Å; W355-E400 HydrophobicContact CZ2-CB 3.96Å; W355-E400 WeakPolarHBondContact CZ2-OE2 3.37Å; W355-I471 HydrophobicContact CH2-CG1 4.33Å; W355-I471 HydrophobicContact CH2-CG2 4.21Å; W355-I471 HydrophobicContact CZ2-CB 4.47Å; W355-I471 HydrophobicContact CZ2-CD1 4.24Å; W355-I471 HydrophobicContact CZ2-CG1 3.97Å; W355-I471 HydrophobicContact CZ2-CG2 3.78Å; W355-F474 AromaticContact CE3-CD1 3.82Å; W355-F474 HydrophobicContact CE3-CD1 3.82Å; W355-F474 AromaticContact CE3-CE1 3.74Å; W355-F474 HydrophobicContact CE3-CE1 3.74Å; W355-F474 HydrophobicContact CH2-CD1 4.33Å; W355-F474 AromaticContact CZ3-CD1 3.37Å; W355-F474 HydrophobicContact CZ3-CD1 3.37Å; W355-F474 AromaticContact CZ3-CE1 3.52Å; W355-F474 HydrophobicContact CZ3-CE1 3.52Å; W355-F474 HydrophobicContact CZ3-CG 4.11Å; W355-F474 HydrophobicContact CZ3-CZ 4.35Å; W355-I481 HydrophobicContact CB-CG2 4.06Å; W355-A483 PolarHBondContact N-O 2.99Å; W355-F484 HydrophobicContact CB-CD2 3.76Å; W355-F484 HydrophobicContact CB-CE2 4.16Å; W355-F484 HydrophobicContact CB-CG 4.21Å; W355-F484 AromaticContact CD1-CD1 3.79Å; W355-F484 AromaticContact CD1-CD2 3.5Å; W355-F484 AromaticContact CD1-CE1 3.48Å; W355-F484 VanDerWaalsContact CD1-CE1 3.48Å; W355-F484 AromaticContact CD1-CE2 3.2Å; W355-F484 AromaticContact CD1-CG 3.79Å; W355-F484 AromaticContact CD1-CZ 3.19Å; W355-F484 HydrophobicContact CD2-CE2 4.01Å; W355-F484 HydrophobicContact CD2-CZ 4.44Å; W355-F484 AromaticContact CE2-CE2 3.99Å; W355-F484 AromaticContact CE2-CZ 4Å; W355-F484 AromaticContact CG-CD2 3.65Å; W355-F484 HydrophobicContact CG-CD2 3.65Å; W355-F484 HydrophobicContact CG-CE1 4.5Å; W355-F484 AromaticContact CG-CE2 3.53Å; W355-F484 HydrophobicContact CG-CE2 3.53Å; W355-F484 HydrophobicContact CG-CG 4.22Å; W355-F484 AromaticContact CG-CZ 3.99Å; W355-F484 HydrophobicContact CG-CZ 3.99Å; W355-F484 AromaticContact NE1-CE1 3.71Å; W355-F484 AromaticContact NE1-CE2 3.49Å; W355-F484 AromaticContact NE1-CZ 3.17Å; W355-F484 WeakPolarHBondContact O-CA 3.36Å; W355-I485 PolarHBondContact O-N 3.44Å |
| 356 | I | 98.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 127.9 | 173 | -52.5 | 175.3 | 0 | 0 | 0 | 108.1 | I354 I397 F398 L399 E400 I485 I487 L589 M593 | I354-I356 HydrophobicContact CG2-CD1 4.46Å; I354-I356 HydrophobicContact CG2-CG1 4.11Å; I356-I397 HydrophobicContact CD1-CG2 4.24Å; I356-F398 PolarHBondContact N-O 3.49Å; I356-L399 HydrophobicContact CB-CD1 3.85Å; I356-L399 HydrophobicContact CG2-CD1 3.75Å; I356-L399 CarbonylContact O-C 3.58Å; I356-L399 VanDerWaalsContact O-CA 3.28Å; I356-L399 WeakPolarHBondContact O-CA 3.41Å; I356-E400 PolarHBondContact O-N 2.81Å; I356-I485 VanDerWaalsContact CA-O 3.31Å; I356-I485 WeakPolarHBondContact CA-O 3.08Å; I356-I485 HydrophobicContact CG1-CB 4.43Å; I356-I485 HydrophobicContact CG1-CD1 4.2Å; I356-I487 HydrophobicContact CG2-CD1 3.73Å; I356-I487 HydrophobicContact CG2-CG1 4.39Å; I356-L589 HydrophobicContact CD1-CD2 4.49Å; I356-M593 HydrophobicContact CD1-SD 4.38Å |
| 357 | D | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 149.7 | 171.1 | 60 | 90.3 | 0 | 0 | 0 | 112.5 | W355 E400 T403 F484 I485 S486 I487 | W355-D357 PolarHBondContact NE1-OD2 2.92Å; D357-E400 WeakPolarHBondContact CA-O 3.3Å; D357-E400 HydrophobicContact CB-CB 4.21Å; D357-T403 WeakPolarHBondContact CB-OG1 3.37Å; D357-F484 WeakPolarHBondContact OD2-CE1 3.04Å; D357-F484 WeakPolarHBondContact OD2-CZ 3.2Å; D357-I485 PolarHBondContact N-O 3.23Å; D357-S486 WeakPolarHBondContact OD1-CA 3.48Å; D357-S486 WeakPolarHBondContact OD1-CB 3.39Å; D357-S486 PolarHBondContact OD1-OG 3.41Å; D357-I487 WeakPolarHBondContact O-CB 3.49Å; D357-I487 PolarHBondContact O-N 3.18Å |
| 358 | T | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 151.2 | 175.3 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | I360 T367 E400 I401 T403 I487 | T358-I360 PolarHBondContact O-N 3.39Å; T358-T367 WeakPolarHBondContact CB-O 3.5Å; T358-T367 VanDerWaalsContact CG2-O 3.22Å; T358-T367 WeakPolarHBondContact CG2-O 3.25Å; T358-E400 PolarHBondContact N-O 3.34Å; T358-E400 PolarHBondContact OG1-O 2.78Å; T358-I401 CarbonylContact O-C 3.09Å; T358-I401 VanDerWaalsContact O-O 3.12Å; T358-I401 VanDerWaalsContact OG1-C 3.25Å; T358-I401 VanDerWaalsContact OG1-CA 3.26Å; T358-I401 WeakPolarHBondContact OG1-CA 3.35Å; T358-I401 PolarHBondContact OG1-O 3.42Å; T358-T403 PolarHBondContact O-N 3.2Å; T358-T403 PolarHBondContact O-OG1 2.89Å; T358-I487 HydrophobicContact CG2-CB 3.94Å; T358-I487 HydrophobicContact CG2-CD1 4.05Å; T358-I487 HydrophobicContact CG2-CG1 4.42Å; T358-I487 HydrophobicContact CG2-CG2 4.36Å |
| 359 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | 72 | 28.9 | 168 | 0 | 0 | 0 | 0 | 0 | 115 | H361 T367 N404 | G359-H361 CarbonylContact C-O 3.5Å; G359-H361 PolarHBondContact O-N 3.15Å; G359-T367 WeakPolarHBondContact CA-OG1 3.3Å; G359-T367 PolarHBondContact N-OG1 3.44Å; G359-N404 WeakPolarHBondContact O-CB 3.31Å; G359-N404 PolarHBondContact O-N 2.89Å | ||
| 360 | I | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -62.5 | -34.1 | 169.6 | -167.4 | 170.8 | 0 | 0 | 0 | 110.5 | T358 T403 N404 P435 W439 H488 | T358-I360 PolarHBondContact O-N 3.39Å; I360-T403 HydrophobicContact CB-CG2 3.88Å; I360-T403 HydrophobicContact CD1-CG2 4.21Å; I360-T403 HydrophobicContact CG1-CG2 3.8Å; I360-N404 WeakPolarHBondContact O-CB 3.28Å; I360-N404 PolarHBondContact O-ND2 2.99Å; I360-P435 HydrophobicContact CD1-CB 4.17Å; I360-P435 HydrophobicContact CG1-CB 3.72Å; I360-P435 HydrophobicContact CG1-CG 3.76Å; I360-P435 WeakPolarHBondContact O-CG 3.46Å; I360-W439 HydrophobicContact CD1-CZ2 4.25Å; I360-H488 WeakPolarHBondContact CG2-CE1 3.29Å |
| 361 | H | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 4.6 Ų | 4.6 | 1% | 0.014 | 2% | 0.024 | C | C | . | . | S | Bend | trans | -96 | 131.6 | 160.4 | -58.7 | 137.3 | 0 | 0 | 0 | 110.5 | G359 E364 R419 D434 N436 H488 | G359-H361 CarbonylContact C-O 3.5Å; G359-H361 PolarHBondContact O-N 3.15Å; H361-E364 VanDerWaalsContact CB-CD 3.44Å; H361-E364 HydrophobicContact CB-CG 3.87Å; H361-E364 WeakPolarHBondContact CB-OE1 3.12Å; H361-E364 IonicContact CE1-OE1 2.69Å; H361-E364 IonicContact CG-OE1 2.66Å; H361-E364 IonicContact ND1-OE1 3.49Å; H361-E364 PolarHBondContact ND1-OE1 3.38Å; H361-E364 IonicContact ND1-OE2 3.62Å; H361-R419 WeakPolarHBondContact CA-O 3.39Å; H361-R419 HydrophobicContact CB-CG 3.96Å; H361-R419 PolarHBondContact CE1-NH1 2.81Å; H361-R419 VanDerWaalsContact CE1-NH1 3.26Å; H361-R419 PolarHBondContact CE1-NH2 3.36Å; H361-R419 VanDerWaalsContact ND1-CZ 3.34Å; H361-R419 PolarHBondContact ND1-NH1 3.38Å; H361-R419 VanDerWaalsContact NE2-CZ 3.32Å; H361-R419 PolarHBondContact NE2-NH2 2.82Å; H361-R419 VanDerWaalsContact NE2-NH2 3.13Å; H361-D434 IonicContact CD2-OD1 3.75Å; H361-D434 IonicContact NE2-OD1 3.83Å; H361-D434 PolarHBondContact NE2-OD1 3.43Å; H361-D434 VanDerWaalsContact NE2-OD1 3.08Å; H361-D434 IonicContact NE2-OD2 3.26Å; H361-N436 WeakPolarHBondContact NE2-CB 3.44Å; H361-H488 AromaticContact CE1-CE1 3.18Å; H361-H488 PolarHBondContact CE1-CE1 3.04Å; H361-H488 AromaticContact CE1-ND1 3.52Å; H361-H488 AromaticContact ND1-CE1 3.25Å; H361-H488 PolarHBondContact ND1-CE1 2.96Å; H361-H488 VanDerWaalsContact ND1-CE1 3.25Å; H361-H488 AromaticContact ND1-ND1 3.13Å; H361-H488 PolarHBondContact ND1-ND1 2.92Å; H361-H488 VanDerWaalsContact ND1-ND1 3.13Å |
| 362 | S | 97.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -35.1 | -165.2 | 35.1 | 0 | 0 | 0 | 0 | 114.5 | E364 W365 G407 W418 R419 | S362-E364 PolarHBondContact O-N 3.23Å; S362-W365 PolarHBondContact O-NE1 2.99Å; S362-G407 WeakPolarHBondContact CB-O 3.42Å; S362-W418 PolarHBondContact OG-O 3.34Å; S362-R419 PolarHBondContact N-O 2.7Å; S362-R419 VanDerWaalsContact N-O 3.15Å; S362-R419 PolarHBondContact OG-O 3.38Å; S362-R419 VanDerWaalsContact OG-O 3.08Å |
| 363 | R | 97.3 | Very high | 98.6 | Very high | 4 Ų | 4 | 3.3 Ų | 3.3 | 2% | 0.015 | 2% | 0.015 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -12.1 | 178 | 64.3 | -164.6 | -171.1 | -179.7 | 3.4 | 115.7 | D231 V232 W365 R416 M417 W418 F571 | D231-R363 IonicContact OD1-CZ 3.08Å; D231-R363 IonicContact OD1-NH1 2.77Å; D231-R363 PolarHBondContact OD1-NH1 2.8Å; D231-R363 IonicContact OD1-NH2 2.59Å; D231-R363 IonicContact OD2-NH1 3.83Å; V232-R363 PolarHBondContact O-NH2 3.28Å; R363-W365 PolarHBondContact O-N 2.92Å; R363-R416 PolarHBondContact O-NH1 3.26Å; R363-M417 WeakPolarHBondContact CD-O 3.32Å; R363-M417 PolarHBondContact NH1-O 2.63Å; R363-W418 VanDerWaalsContact CB-O 3.26Å; R363-W418 WeakPolarHBondContact CB-O 3.35Å; R363-W418 PolarHBondContact N-O 2.85Å; R363-F571 HydrophobicContact CG-CD1 4.12Å; R363-F571 HydrophobicContact CG-CD2 4.28Å; R363-F571 HydrophobicContact CG-CE1 4.41Å; R363-F571 HydrophobicContact CG-CG 4.07Å; R363-F571 VanDerWaalsContact CZ-CE2 3.44Å; R363-F571 VanDerWaalsContact NE-CE2 3.31Å |
| 364 | E | 98.4 | Very high | 98.6 | Very high | 3 Ų | 3 | 3.3 Ų | 3.3 | 1% | 0.014 | 2% | 0.015 | C | C | . | . | trans | -85.7 | 52.3 | -171.3 | -56.5 | 179.3 | -172 | 0 | 0 | 111.9 | H361 S362 V366 T367 Q368 R419 H488 A489 F571 | H361-E364 VanDerWaalsContact CB-CD 3.44Å; H361-E364 HydrophobicContact CB-CG 3.87Å; H361-E364 WeakPolarHBondContact CB-OE1 3.12Å; H361-E364 IonicContact CE1-OE1 2.69Å; H361-E364 IonicContact CG-OE1 2.66Å; H361-E364 IonicContact ND1-OE1 3.49Å; H361-E364 PolarHBondContact ND1-OE1 3.38Å; H361-E364 IonicContact ND1-OE2 3.62Å; S362-E364 PolarHBondContact O-N 3.23Å; E364-V366 PolarHBondContact O-N 3.26Å; E364-T367 HydrophobicContact CB-CG2 4.05Å; E364-T367 WeakPolarHBondContact O-CB 3.23Å; E364-T367 VanDerWaalsContact O-CG2 3.31Å; E364-T367 WeakPolarHBondContact O-CG2 3.42Å; E364-T367 PolarHBondContact O-N 3.32Å; E364-T367 PolarHBondContact O-OG1 3.33Å; E364-Q368 PolarHBondContact O-OE1 3.14Å; E364-R419 IonicContact OE1-NH1 3.26Å; E364-R419 PolarHBondContact OE1-NH1 2.93Å; E364-H488 IonicContact OE1-ND1 3.44Å; E364-H488 WeakPolarHBondContact OE2-CA 3.44Å; E364-H488 VanDerWaalsContact OE2-CB 3.24Å; E364-H488 WeakPolarHBondContact OE2-CB 3.42Å; E364-H488 IonicContact OE2-CG 2.76Å; E364-H488 IonicContact OE2-ND1 3.57Å; E364-H488 PolarHBondContact OE2-ND1 3.29Å; E364-A489 HydrophobicContact CB-CB 4.21Å; E364-A489 WeakPolarHBondContact CG-O 3.37Å; E364-A489 PolarHBondContact OE2-N 3.37Å; E364-F571 HydrophobicContact CG-CD1 4.06Å; E364-F571 HydrophobicContact CG-CE1 4.11Å | ||
| 365 | W | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 3.3 Ų | 3.3 | 3% | 0.027 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -53.6 | -29.4 | -164.9 | -77 | 11.4 | 0 | 0 | 0 | 116.2 | E280 M284 Y304 S362 R363 T367 Q368 A369 Y408 T411 H412 R416 | E280-W365 HydrophobicContact CG-CZ3 4.01Å; E280-W365 VanDerWaalsContact OE1-CZ3 3.26Å; E280-W365 WeakPolarHBondContact OE1-CZ3 3.43Å; M284-W365 HydrophobicContact CE-CH2 4.31Å; M284-W365 HydrophobicContact CE-CZ3 4.22Å; M284-W365 HydrophobicContact SD-CH2 3.98Å; M284-W365 HydrophobicContact SD-CZ3 3.51Å; M284-W365 VanDerWaalsContact SD-CZ3 3.51Å; Y304-W365 HydrophobicContact CD1-CB 3.74Å; Y304-W365 HydrophobicContact CD1-CE3 4.15Å; Y304-W365 AromaticContact CD2-CE3 3.79Å; Y304-W365 HydrophobicContact CD2-CE3 3.79Å; Y304-W365 HydrophobicContact CD2-CZ3 4.37Å; Y304-W365 VanDerWaalsContact CE1-C 3.5Å; Y304-W365 HydrophobicContact CE1-CB 3.56Å; Y304-W365 WeakPolarHBondContact CE1-O 3.42Å; Y304-W365 HydrophobicContact CE2-CE3 4.38Å; Y304-W365 HydrophobicContact CG-CB 4.41Å; Y304-W365 AromaticContact CG-CE3 3.66Å; Y304-W365 HydrophobicContact CG-CE3 3.66Å; Y304-W365 HydrophobicContact CG-CZ3 4.35Å; S362-W365 PolarHBondContact O-NE1 2.99Å; R363-W365 PolarHBondContact O-N 2.92Å; W365-T367 PolarHBondContact O-N 3.15Å; W365-Q368 PolarHBondContact O-N 3.15Å; W365-Q368 PolarHBondContact O-OE1 3.14Å; W365-A369 PolarHBondContact O-N 2.96Å; W365-A369 VanDerWaalsContact O-N 3.16Å; W365-Y408 AromaticContact CD1-CD2 3.95Å; W365-Y408 AromaticContact CD1-CE2 3.45Å; W365-Y408 VanDerWaalsContact CD1-CE2 3.45Å; W365-Y408 HydrophobicContact CG-CE2 4.06Å; W365-Y408 AromaticContact NE1-CD2 3.9Å; W365-Y408 AromaticContact NE1-CE2 3.57Å; W365-T411 PolarHBondContact NE1-OG1 3.01Å; W365-H412 AromaticContact CE2-CD2 3.76Å; W365-H412 AromaticContact CE2-NE2 3.44Å; W365-H412 AromaticContact CH2-CD2 3.93Å; W365-H412 AromaticContact CH2-CE1 3.56Å; W365-H412 AromaticContact CH2-ND1 3.89Å; W365-H412 AromaticContact CH2-NE2 3.61Å; W365-H412 AromaticContact CZ2-CD2 3.24Å; W365-H412 WeakPolarHBondContact CZ2-CD2 3.21Å; W365-H412 AromaticContact CZ2-CE1 3.63Å; W365-H412 AromaticContact CZ2-CG 3.75Å; W365-H412 AromaticContact CZ2-NE2 3.16Å; W365-H412 WeakPolarHBondContact CZ2-NE2 3.07Å; W365-H412 AromaticContact NE1-NE2 3.95Å; W365-R416 VanDerWaalsContact CE2-NE 3.33Å |
| 366 | V | 98.7 | Very high | 98.6 | Very high | 5 Ų | 5 | 4.7 Ų | 4.7 | 3% | 0.03 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -61.8 | -25.7 | 176.7 | 69.1 | 0 | 0 | 0 | 0 | 112.2 | E364 S370 A489 L563 L573 T581 | E364-V366 PolarHBondContact O-N 3.26Å; V366-S370 VanDerWaalsContact O-CB 3.26Å; V366-S370 WeakPolarHBondContact O-CB 3.32Å; V366-S370 PolarHBondContact O-N 3.2Å; V366-S370 PolarHBondContact O-OG 3.26Å; V366-A489 HydrophobicContact CG1-CB 3.44Å; V366-A489 VanDerWaalsContact CG1-CB 3.44Å; V366-L563 HydrophobicContact CG1-CB 4.26Å; V366-L563 HydrophobicContact CG1-CD1 4.35Å; V366-L573 HydrophobicContact CB-CD2 4.12Å; V366-L573 HydrophobicContact CG2-CD2 3.72Å; V366-T581 HydrophobicContact CG2-CG2 3.84Å |
| 367 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -69.2 | -51.3 | 179.2 | 67.4 | 0 | 0 | 0 | 0 | 111 | T358 G359 E364 W365 A369 S370 G371 I487 A489 L563 | T358-T367 WeakPolarHBondContact CB-O 3.5Å; T358-T367 VanDerWaalsContact CG2-O 3.22Å; T358-T367 WeakPolarHBondContact CG2-O 3.25Å; G359-T367 WeakPolarHBondContact CA-OG1 3.3Å; G359-T367 PolarHBondContact N-OG1 3.44Å; E364-T367 HydrophobicContact CB-CG2 4.05Å; E364-T367 WeakPolarHBondContact O-CB 3.23Å; E364-T367 VanDerWaalsContact O-CG2 3.31Å; E364-T367 WeakPolarHBondContact O-CG2 3.42Å; E364-T367 PolarHBondContact O-N 3.32Å; E364-T367 PolarHBondContact O-OG1 3.33Å; W365-T367 PolarHBondContact O-N 3.15Å; T367-A369 VanDerWaalsContact C-N 3.34Å; T367-A369 PolarHBondContact O-N 2.92Å; T367-S370 PolarHBondContact O-N 3.33Å; T367-G371 PolarHBondContact O-N 3.3Å; T367-I487 HydrophobicContact CG2-CG2 4.15Å; T367-I487 WeakPolarHBondContact CG2-O 3.11Å; T367-A489 HydrophobicContact CG2-CB 4.08Å; T367-L563 HydrophobicContact CG2-CD1 4.28Å |
| 368 | Q | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.005 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 177.8 | -60.7 | 87.8 | -18.6 | 0 | 0 | 111 | I310 E364 W365 S370 G371 L372 I401 Y408 | I310-Q368 HydrophobicContact CD1-CB 4.24Å; E364-Q368 PolarHBondContact O-OE1 3.14Å; W365-Q368 PolarHBondContact O-N 3.15Å; W365-Q368 PolarHBondContact O-OE1 3.14Å; Q368-S370 VanDerWaalsContact C-N 3.35Å; Q368-S370 PolarHBondContact O-N 2.65Å; Q368-G371 WeakPolarHBondContact O-CA 3.41Å; Q368-G371 PolarHBondContact O-N 2.77Å; Q368-G371 VanDerWaalsContact O-N 3.15Å; Q368-L372 PolarHBondContact O-N 2.82Å; Q368-I401 HydrophobicContact CB-CG2 4.38Å; Q368-I401 WeakPolarHBondContact CG-O 3.22Å; Q368-Y408 HydrophobicContact CB-CE2 4.31Å; Q368-Y408 HydrophobicContact CG-CD2 4.13Å; Q368-Y408 HydrophobicContact CG-CE2 3.91Å |
| 369 | A | 98.4 | Very high | 98.4 | Very high | 5 Ų | 5 | 8.1 Ų | 8.1 | 4% | 0.041 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y304 W365 T367 G371 L372 W373 I578 | Y304-A369 HydrophobicContact CD1-CB 3.99Å; Y304-A369 HydrophobicContact CE1-CB 4Å; W365-A369 PolarHBondContact O-N 2.96Å; W365-A369 VanDerWaalsContact O-N 3.16Å; T367-A369 VanDerWaalsContact C-N 3.34Å; T367-A369 PolarHBondContact O-N 2.92Å; A369-G371 VanDerWaalsContact C-N 3.34Å; A369-L372 PolarHBondContact O-N 2.89Å; A369-W373 PolarHBondContact O-N 3.36Å; A369-I578 HydrophobicContact CB-CD1 4.08Å; A369-I578 HydrophobicContact CB-CG1 4.17Å; A369-I578 HydrophobicContact CB-CG2 3.64Å |
| 370 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 173.1 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | V366 T367 Q368 L372 W373 F374 | V366-S370 VanDerWaalsContact O-CB 3.26Å; V366-S370 WeakPolarHBondContact O-CB 3.32Å; V366-S370 PolarHBondContact O-N 3.2Å; V366-S370 PolarHBondContact O-OG 3.26Å; T367-S370 PolarHBondContact O-N 3.33Å; Q368-S370 VanDerWaalsContact C-N 3.35Å; Q368-S370 PolarHBondContact O-N 2.65Å; S370-L372 PolarHBondContact O-N 2.88Å; S370-W373 CarbonylContact O-C 3.59Å; S370-W373 WeakPolarHBondContact O-CB 3.39Å; S370-W373 PolarHBondContact O-N 3.1Å; S370-W373 VanDerWaalsContact O-N 3.12Å; S370-F374 WeakPolarHBondContact O-CD2 3.5Å; S370-F374 WeakPolarHBondContact O-CG 3.36Å; S370-F374 PolarHBondContact O-N 3.16Å |
| 371 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.5 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T367 Q368 A369 W373 F374 A375 | T367-G371 PolarHBondContact O-N 3.3Å; Q368-G371 WeakPolarHBondContact O-CA 3.41Å; Q368-G371 PolarHBondContact O-N 2.77Å; Q368-G371 VanDerWaalsContact O-N 3.15Å; A369-G371 VanDerWaalsContact C-N 3.34Å; G371-W373 VanDerWaalsContact C-N 3.34Å; G371-W373 PolarHBondContact O-N 3.15Å; G371-F374 PolarHBondContact O-N 2.86Å; G371-A375 PolarHBondContact O-N 2.83Å |
| 372 | L | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 173.1 | -66.2 | 169.4 | 0 | 0 | 0 | 111.6 | F299 Y301 H305 I310 F313 Q368 A369 S370 A375 K376 I401 | F299-L372 HydrophobicContact CE1-CD1 3.95Å; F299-L372 HydrophobicContact CZ-CD1 4.11Å; Y301-L372 HydrophobicContact CD1-CB 4.33Å; Y301-L372 HydrophobicContact CE1-CB 4.39Å; H305-L372 HydrophobicContact CB-CD1 4.47Å; I310-L372 HydrophobicContact CB-CD2 4.4Å; I310-L372 HydrophobicContact CG1-CD1 4.11Å; I310-L372 HydrophobicContact CG1-CD2 4.2Å; I310-L372 HydrophobicContact CG1-CG 4.48Å; I310-L372 HydrophobicContact CG2-CD2 4.13Å; F313-L372 HydrophobicContact CB-CD2 4.1Å; F313-L372 HydrophobicContact CD1-CD2 3.16Å; F313-L372 HydrophobicContact CD1-CG 4.47Å; F313-L372 HydrophobicContact CE1-CB 4.43Å; F313-L372 HydrophobicContact CE1-CD2 3.71Å; F313-L372 HydrophobicContact CG-CD2 3.72Å; Q368-L372 PolarHBondContact O-N 2.82Å; A369-L372 PolarHBondContact O-N 2.89Å; S370-L372 PolarHBondContact O-N 2.88Å; L372-A375 PolarHBondContact O-N 2.83Å; L372-K376 PolarHBondContact O-N 2.9Å; L372-I401 HydrophobicContact CD2-CD1 4.05Å; L372-I401 HydrophobicContact CD2-CG2 4.34Å; L372-I401 HydrophobicContact CG-CG2 4.29Å |
| 373 | W | 98.7 | Very high | 98 | Very high | 35 Ų | 35 | 17.8 Ų | 17.8 | 13% | 0.133 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 179.6 | -171.3 | 98.8 | 0 | 0 | 0 | 111.7 | Y301 A369 S370 G371 A375 K376 K377 A582 E583 W586 | Y301-W373 HydrophobicContact CD1-CB 4.31Å; A369-W373 PolarHBondContact O-N 3.36Å; S370-W373 CarbonylContact O-C 3.59Å; S370-W373 WeakPolarHBondContact O-CB 3.39Å; S370-W373 PolarHBondContact O-N 3.1Å; S370-W373 VanDerWaalsContact O-N 3.12Å; G371-W373 VanDerWaalsContact C-N 3.34Å; G371-W373 PolarHBondContact O-N 3.15Å; W373-A375 VanDerWaalsContact C-N 3.33Å; W373-A375 PolarHBondContact O-N 3.38Å; W373-K376 PolarHBondContact O-N 2.99Å; W373-K377 HydrophobicContact CE3-CB 3.93Å; W373-K377 HydrophobicContact CE3-CG 4.37Å; W373-K377 HydrophobicContact CH2-CB 4.08Å; W373-K377 HydrophobicContact CH2-CD 3.7Å; W373-K377 HydrophobicContact CH2-CG 3.71Å; W373-K377 HydrophobicContact CZ2-CD 4.24Å; W373-K377 HydrophobicContact CZ3-CB 3.65Å; W373-K377 HydrophobicContact CZ3-CD 4.12Å; W373-K377 HydrophobicContact CZ3-CG 3.59Å; W373-K377 WeakPolarHBondContact O-CB 3.45Å; W373-K377 PolarHBondContact O-N 2.8Å; W373-A582 HydrophobicContact CB-CB 3.9Å; W373-A582 HydrophobicContact CD2-CB 3.69Å; W373-A582 HydrophobicContact CE3-CB 3.75Å; W373-A582 HydrophobicContact CG-CB 3.77Å; W373-E583 HydrophobicContact CH2-CB 4.47Å; W373-E583 HydrophobicContact CH2-CG 3.86Å; W373-E583 HydrophobicContact CZ2-CB 4.49Å; W373-E583 HydrophobicContact CZ2-CG 3.46Å; W373-E583 VanDerWaalsContact CZ2-CG 3.46Å; W373-W586 HydrophobicContact CH2-CB 4.28Å; W373-W586 HydrophobicContact CH2-CG 4.36Å; W373-W586 HydrophobicContact CZ3-CB 3.73Å; W373-W586 HydrophobicContact CZ3-CD2 4.35Å; W373-W586 AromaticContact CZ3-CG 3.88Å; W373-W586 HydrophobicContact CZ3-CG 3.88Å |
| 374 | F | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 175.8 | -58.8 | -35.9 | 0 | 0 | 0 | 111.5 | S370 G371 K376 K377 I378 L399 I487 A582 T585 W586 L589 | S370-F374 WeakPolarHBondContact O-CD2 3.5Å; S370-F374 WeakPolarHBondContact O-CG 3.36Å; S370-F374 PolarHBondContact O-N 3.16Å; G371-F374 PolarHBondContact O-N 2.86Å; F374-K376 VanDerWaalsContact C-N 3.3Å; F374-K376 PolarHBondContact O-N 2.8Å; F374-K377 WeakPolarHBondContact O-CB 3.46Å; F374-K377 PolarHBondContact O-N 3.25Å; F374-K377 VanDerWaalsContact O-N 3.12Å; F374-I378 VanDerWaalsContact O-CG1 3.27Å; F374-I378 WeakPolarHBondContact O-CG1 3.36Å; F374-I378 PolarHBondContact O-N 2.9Å; F374-L399 HydrophobicContact CB-CD2 4.38Å; F374-I487 HydrophobicContact CE2-CD1 3.85Å; F374-A582 HydrophobicContact CE1-CB 4.22Å; F374-A582 WeakPolarHBondContact CE1-O 3.43Å; F374-T585 HydrophobicContact CE1-CG2 4.45Å; F374-T585 HydrophobicContact CZ-CG2 3.75Å; F374-W586 HydrophobicContact CB-CE3 4.43Å; F374-W586 HydrophobicContact CB-CZ3 4.37Å; F374-W586 HydrophobicContact CD1-CB 4.47Å; F374-W586 AromaticContact CD1-CE3 3.72Å; F374-W586 HydrophobicContact CD1-CE3 3.72Å; F374-W586 HydrophobicContact CD1-CZ3 4.46Å; F374-W586 HydrophobicContact CE1-CB 4.27Å; F374-W586 HydrophobicContact CE1-CE3 4.4Å; F374-W586 HydrophobicContact CG-CE3 4.31Å; F374-L589 HydrophobicContact CD1-CD1 4.14Å; F374-L589 HydrophobicContact CD2-CD1 4.06Å; F374-L589 HydrophobicContact CE1-CD1 3.89Å; F374-L589 HydrophobicContact CE2-CD1 3.81Å; F374-L589 HydrophobicContact CG-CD1 4.26Å; F374-L589 HydrophobicContact CZ-CD1 3.73Å |
| 375 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F313 L317 L342 F344 G371 L372 W373 L399 I401 | F313-A375 HydrophobicContact CE1-CB 3.87Å; F313-A375 HydrophobicContact CZ-CB 4.09Å; L317-A375 HydrophobicContact CD2-CB 3.74Å; L342-A375 HydrophobicContact CD1-CB 3.9Å; F344-A375 HydrophobicContact CZ-CB 4.02Å; G371-A375 PolarHBondContact O-N 2.83Å; L372-A375 PolarHBondContact O-N 2.83Å; W373-A375 VanDerWaalsContact C-N 3.33Å; W373-A375 PolarHBondContact O-N 3.38Å; A375-L399 HydrophobicContact CB-CD2 3.77Å; A375-I401 HydrophobicContact CB-CD1 4.33Å |
| 376 | K | 98.1 | Very high | 97.9 | Very high | 29 Ų | 29 | 32.3 Ų | 32.3 | 13% | 0.126 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 175.3 | -176.5 | 58.8 | 174.1 | -179.8 | 0 | 112.3 | T296 D297 Y301 F313 L372 W373 F374 I378 V379 T380 | T296-K376 PolarHBondContact OG1-NZ 3.16Å; D297-K376 VanDerWaalsContact OD1-CE 3.3Å; D297-K376 WeakPolarHBondContact OD1-CE 3.34Å; D297-K376 IonicContact OD1-NZ 3.73Å; D297-K376 PolarHBondContact OD1-NZ 3.1Å; Y301-K376 HydrophobicContact CE1-CB 3.82Å; Y301-K376 HydrophobicContact CE1-CG 4.36Å; Y301-K376 HydrophobicContact CE2-CB 4.44Å; Y301-K376 HydrophobicContact CE2-CG 4.08Å; Y301-K376 WeakPolarHBondContact OH-CB 3.47Å; Y301-K376 VanDerWaalsContact OH-CG 3.29Å; Y301-K376 WeakPolarHBondContact OH-CG 3Å; F313-K376 HydrophobicContact CZ-CB 4.49Å; L372-K376 PolarHBondContact O-N 2.9Å; W373-K376 PolarHBondContact O-N 2.99Å; F374-K376 VanDerWaalsContact C-N 3.3Å; F374-K376 PolarHBondContact O-N 2.8Å; K376-I378 PolarHBondContact O-N 3.08Å; K376-V379 HydrophobicContact CD-CG2 4.04Å; K376-V379 WeakPolarHBondContact O-CG2 3.26Å; K376-V379 PolarHBondContact O-N 3.24Å; K376-T380 VanDerWaalsContact O-CB 3.29Å; K376-T380 WeakPolarHBondContact O-CB 3.37Å; K376-T380 PolarHBondContact O-N 2.84Å; K376-T380 PolarHBondContact O-OG1 3.33Å |
| 377 | K | 97.4 | Very high | 97.8 | Very high | 56 Ų | 56 | 33.5 Ų | 33.5 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 178.7 | -173.6 | 57.6 | 167.7 | 157.3 | 0 | 111.4 | W373 F374 V379 T380 D381 W586 | W373-K377 HydrophobicContact CE3-CB 3.93Å; W373-K377 HydrophobicContact CE3-CG 4.37Å; W373-K377 HydrophobicContact CH2-CB 4.08Å; W373-K377 HydrophobicContact CH2-CD 3.7Å; W373-K377 HydrophobicContact CH2-CG 3.71Å; W373-K377 HydrophobicContact CZ2-CD 4.24Å; W373-K377 HydrophobicContact CZ3-CB 3.65Å; W373-K377 HydrophobicContact CZ3-CD 4.12Å; W373-K377 HydrophobicContact CZ3-CG 3.59Å; W373-K377 WeakPolarHBondContact O-CB 3.45Å; W373-K377 PolarHBondContact O-N 2.8Å; F374-K377 WeakPolarHBondContact O-CB 3.46Å; F374-K377 PolarHBondContact O-N 3.25Å; F374-K377 VanDerWaalsContact O-N 3.12Å; K377-V379 PolarHBondContact O-N 3Å; K377-T380 PolarHBondContact O-N 3.02Å; K377-D381 WeakPolarHBondContact CD-OD2 3.11Å; K377-D381 WeakPolarHBondContact CE-OD2 3.48Å; K377-D381 IonicContact NZ-OD1 3.02Å; K377-D381 PolarHBondContact NZ-OD1 3.28Å; K377-D381 IonicContact NZ-OD2 2.67Å; K377-D381 PolarHBondContact NZ-OD2 3.24Å; K377-D381 WeakPolarHBondContact O-CB 3.4Å; K377-D381 PolarHBondContact O-N 3.03Å; K377-W586 HydrophobicContact CG-CD2 3.88Å; K377-W586 HydrophobicContact CG-CG 4.16Å; K377-W586 HydrophobicContact CG-CZ2 3.95Å |
| 378 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.7 | -51.6 | 178.3 | -68.6 | 162.8 | 0 | 0 | 0 | 111.2 | F344 F374 K376 T380 Y382 L392 I397 W586 | F344-I378 HydrophobicContact CB-CG2 4.19Å; F344-I378 HydrophobicContact CD1-CB 4.09Å; F344-I378 HydrophobicContact CD1-CG2 3.41Å; F344-I378 VanDerWaalsContact CD1-CG2 3.41Å; F344-I378 HydrophobicContact CD2-CD1 4.03Å; F344-I378 HydrophobicContact CD2-CG2 4.49Å; F344-I378 HydrophobicContact CE1-CB 4.03Å; F344-I378 HydrophobicContact CE1-CD1 4.37Å; F344-I378 HydrophobicContact CE1-CG2 3.88Å; F344-I378 HydrophobicContact CE2-CD1 3.85Å; F344-I378 HydrophobicContact CG-CD1 4.39Å; F344-I378 HydrophobicContact CG-CG2 3.78Å; F344-I378 HydrophobicContact CZ-CB 4.48Å; F344-I378 HydrophobicContact CZ-CD1 4.04Å; F374-I378 VanDerWaalsContact O-CG1 3.27Å; F374-I378 WeakPolarHBondContact O-CG1 3.36Å; F374-I378 PolarHBondContact O-N 2.9Å; K376-I378 PolarHBondContact O-N 3.08Å; I378-T380 VanDerWaalsContact C-N 3.32Å; I378-T380 PolarHBondContact O-N 3.31Å; I378-Y382 WeakPolarHBondContact O-CB 3.07Å; I378-Y382 PolarHBondContact O-N 3Å; I378-L392 HydrophobicContact CG2-CD1 3.77Å; I378-I397 HydrophobicContact CD1-CG2 4.36Å; I378-W586 HydrophobicContact CD1-CH2 4.37Å; I378-W586 HydrophobicContact CD1-CZ3 4.47Å; I378-W586 HydrophobicContact CG1-CH2 3.52Å; I378-W586 HydrophobicContact CG1-CZ2 4.46Å; I378-W586 HydrophobicContact CG1-CZ3 4.01Å |
| 379 | V | 97.3 | Very high | 97.8 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.3 | -31.7 | -178.8 | -56.9 | 0 | 0 | 0 | 0 | 112.6 | L317 N321 L324 V325 F344 K376 K377 | L317-V379 HydrophobicContact CD1-CG1 4.07Å; L317-V379 HydrophobicContact CD1-CG2 3.75Å; L317-V379 HydrophobicContact CG-CG1 4.41Å; N321-V379 HydrophobicContact CB-CG1 4.32Å; L324-V379 HydrophobicContact CD2-CG1 4.28Å; V325-V379 HydrophobicContact CG2-CG1 3.5Å; F344-V379 HydrophobicContact CD1-CG1 4.23Å; F344-V379 HydrophobicContact CE1-CG1 3.86Å; K376-V379 HydrophobicContact CD-CG2 4.04Å; K376-V379 WeakPolarHBondContact O-CG2 3.26Å; K376-V379 PolarHBondContact O-N 3.24Å; K377-V379 PolarHBondContact O-N 3Å |
| 380 | T | 95.4 | Very high | 97.8 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 31% | 0.313 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -74 | -35.2 | -176.9 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | K376 K377 I378 K384 | K376-T380 VanDerWaalsContact O-CB 3.29Å; K376-T380 WeakPolarHBondContact O-CB 3.37Å; K376-T380 PolarHBondContact O-N 2.84Å; K376-T380 PolarHBondContact O-OG1 3.33Å; K377-T380 PolarHBondContact O-N 3.02Å; I378-T380 VanDerWaalsContact C-N 3.32Å; I378-T380 PolarHBondContact O-N 3.31Å; T380-K384 WeakPolarHBondContact O-CD 3.38Å; T380-K384 WeakPolarHBondContact O-CE 3.44Å; T380-K384 PolarHBondContact O-NZ 2.96Å |
| 381 | D | 96.8 | Very high | 97.8 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 13% | 0.128 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -94.3 | -20.4 | -175.6 | -77 | 14.1 | 0 | 0 | 0 | 113.3 | K377 G383 K384 D385 L388 | K377-D381 WeakPolarHBondContact CD-OD2 3.11Å; K377-D381 WeakPolarHBondContact CE-OD2 3.48Å; K377-D381 IonicContact NZ-OD1 3.02Å; K377-D381 PolarHBondContact NZ-OD1 3.28Å; K377-D381 IonicContact NZ-OD2 2.67Å; K377-D381 PolarHBondContact NZ-OD2 3.24Å; K377-D381 WeakPolarHBondContact O-CB 3.4Å; K377-D381 PolarHBondContact O-N 3.03Å; D381-G383 PolarHBondContact O-N 3.02Å; D381-K384 WeakPolarHBondContact O-CA 3.35Å; D381-K384 PolarHBondContact O-N 3.22Å; D381-D385 HydrophobicContact CB-CB 4.11Å; D381-D385 PolarHBondContact O-N 3.47Å; D381-L388 HydrophobicContact CB-CD2 3.52Å |
| 382 | Y | 97.5 | Very high | 97.7 | Very high | 73 Ų | 73 | 35.8 Ų | 35.8 | 29% | 0.286 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 126.6 | 174.7 | 177.9 | -105.8 | 0 | 0 | 0 | 111 | L324 T346 I378 K384 T389 L392 N393 | L324-Y382 HydrophobicContact CD1-CD1 4.12Å; L324-Y382 HydrophobicContact CD1-CE1 4.16Å; L324-Y382 HydrophobicContact CD1-CG 4.37Å; L324-Y382 HydrophobicContact CD2-CD1 3.66Å; L324-Y382 HydrophobicContact CD2-CE1 4.41Å; L324-Y382 HydrophobicContact CD2-CG 3.93Å; T346-Y382 HydrophobicContact CG2-CE1 4.34Å; T346-Y382 HydrophobicContact CG2-CE2 3.78Å; T346-Y382 VanDerWaalsContact CG2-CZ 3.49Å; T346-Y382 WeakPolarHBondContact CG2-OH 3.49Å; I378-Y382 WeakPolarHBondContact O-CB 3.07Å; I378-Y382 PolarHBondContact O-N 3Å; Y382-K384 VanDerWaalsContact C-N 3.3Å; Y382-T389 HydrophobicContact CD2-CG2 4.38Å; Y382-T389 HydrophobicContact CE2-CG2 4.06Å; Y382-L392 HydrophobicContact CD2-CB 3.75Å; Y382-L392 HydrophobicContact CD2-CD1 3.51Å; Y382-L392 HydrophobicContact CD2-CG 4.3Å; Y382-L392 HydrophobicContact CE2-CB 3.78Å; Y382-L392 HydrophobicContact CE2-CD1 4.32Å; Y382-L392 HydrophobicContact CG-CD1 3.97Å; Y382-N393 PolarHBondContact OH-OD1 3.45Å; Y382-N393 VanDerWaalsContact OH-OD1 3.12Å |
| 383 | G | 96.1 | Very high | 97.7 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 62% | 0.619 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -4.3 | -172 | 0 | 0 | 0 | 0 | 0 | 115 | D381 T389 | D381-G383 PolarHBondContact O-N 3.02Å; G383-T389 WeakPolarHBondContact CA-OG1 3.39Å; G383-T389 PolarHBondContact N-OG1 3.08Å |
| 384 | K | 96.6 | Very high | 97.6 | Very high | 162 Ų | 162 | 41.5 Ų | 41.5 | 70% | 0.704 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -50.3 | 176.7 | -59.5 | -179.4 | -168 | 149.1 | 0 | 112.3 | T380 D381 Y382 | T380-K384 WeakPolarHBondContact O-CD 3.38Å; T380-K384 WeakPolarHBondContact O-CE 3.44Å; T380-K384 PolarHBondContact O-NZ 2.96Å; D381-K384 WeakPolarHBondContact O-CA 3.35Å; D381-K384 PolarHBondContact O-N 3.22Å; Y382-K384 VanDerWaalsContact C-N 3.3Å |
| 385 | D | 97.2 | Very high | 97.6 | Very high | 56 Ų | 56 | 41.7 Ų | 41.7 | 30% | 0.299 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -83.2 | 120.5 | 173.5 | -178.5 | -88.1 | 0 | 0 | 0 | 109.8 | D381 A387 L388 T389 | D381-D385 HydrophobicContact CB-CB 4.11Å; D381-D385 PolarHBondContact O-N 3.47Å; D385-A387 VanDerWaalsContact C-N 3.34Å; D385-A387 PolarHBondContact O-N 2.87Å; D385-A387 WeakPolarHBondContact OD1-CA 3.49Å; D385-A387 WeakPolarHBondContact OD1-CB 3.44Å; D385-A387 PolarHBondContact OD1-N 3.09Å; D385-L388 HydrophobicContact CB-CB 4.15Å; D385-L388 WeakPolarHBondContact OD1-CB 3.48Å; D385-L388 PolarHBondContact OD1-N 2.95Å; D385-T389 WeakPolarHBondContact O-CB 3.37Å; D385-T389 PolarHBondContact O-N 3.21Å; D385-T389 PolarHBondContact O-OG1 3.48Å |
| 386 | S | 98.1 | Very high | 97.6 | Very high | 100 Ų | 100 | 41.7 Ų | 41.7 | 70% | 0.699 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -67.4 | -33 | -174.1 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | A390 | S386-A390 WeakPolarHBondContact O-CB 3.5Å; S386-A390 PolarHBondContact O-N 2.84Å |
| 387 | A | 97.6 | Very high | 97.7 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 26% | 0.256 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -74.1 | -49.6 | -178 | 0 | 0 | 0 | 0 | 0 | 110.5 | D385 T389 A390 I391 M590 | D385-A387 VanDerWaalsContact C-N 3.34Å; D385-A387 PolarHBondContact O-N 2.87Å; D385-A387 WeakPolarHBondContact OD1-CA 3.49Å; D385-A387 WeakPolarHBondContact OD1-CB 3.44Å; D385-A387 PolarHBondContact OD1-N 3.09Å; A387-T389 VanDerWaalsContact C-N 3.29Å; A387-T389 PolarHBondContact O-N 3.13Å; A387-A390 WeakPolarHBondContact O-CB 3.22Å; A387-A390 PolarHBondContact O-N 3.49Å; A387-A390 VanDerWaalsContact O-N 3.15Å; A387-I391 WeakPolarHBondContact O-CD1 3.38Å; A387-I391 VanDerWaalsContact O-CG1 3.3Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.24Å; A387-M590 HydrophobicContact CB-CE 3.93Å |
| 388 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -41.6 | 175.1 | -179.9 | 66.9 | 0 | 0 | 0 | 111.3 | D381 D385 A390 I391 L392 I397 W586 M590 | D381-L388 HydrophobicContact CB-CD2 3.52Å; D385-L388 HydrophobicContact CB-CB 4.15Å; D385-L388 WeakPolarHBondContact OD1-CB 3.48Å; D385-L388 PolarHBondContact OD1-N 2.95Å; L388-A390 VanDerWaalsContact C-N 3.34Å; L388-A390 PolarHBondContact O-N 2.84Å; L388-I391 PolarHBondContact O-N 2.64Å; L388-L392 HydrophobicContact CD1-CD1 4.26Å; L388-L392 HydrophobicContact CD1-CG 4.41Å; L388-L392 HydrophobicContact CG-CD1 4.23Å; L388-L392 PolarHBondContact O-N 2.91Å; L388-I397 HydrophobicContact CD1-CD1 4.37Å; L388-W586 HydrophobicContact CD1-CH2 4.28Å; L388-W586 HydrophobicContact CD1-CZ2 4.26Å; L388-W586 HydrophobicContact CD2-CZ2 4.27Å; L388-M590 HydrophobicContact CB-CE 3.94Å; L388-M590 HydrophobicContact CB-SD 4.28Å; L388-M590 HydrophobicContact CD1-SD 4.17Å |
| 389 | T | 98.4 | Very high | 97.8 | Very high | 25 Ų | 25 | 37.8 Ų | 37.8 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.6 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | Y382 G383 D385 A387 L392 N393 | Y382-T389 HydrophobicContact CD2-CG2 4.38Å; Y382-T389 HydrophobicContact CE2-CG2 4.06Å; G383-T389 WeakPolarHBondContact CA-OG1 3.39Å; G383-T389 PolarHBondContact N-OG1 3.08Å; D385-T389 WeakPolarHBondContact O-CB 3.37Å; D385-T389 PolarHBondContact O-N 3.21Å; D385-T389 PolarHBondContact O-OG1 3.48Å; A387-T389 VanDerWaalsContact C-N 3.29Å; A387-T389 PolarHBondContact O-N 3.13Å; T389-L392 PolarHBondContact O-N 3.08Å; T389-N393 VanDerWaalsContact O-CB 3.25Å; T389-N393 WeakPolarHBondContact O-CB 3.34Å; T389-N393 PolarHBondContact O-N 2.9Å; T389-N393 PolarHBondContact O-ND2 3.17Å |
| 390 | A | 98.2 | Very high | 97.8 | Very high | 28 Ų | 28 | 37 Ų | 37 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S386 A387 L388 N393 N394 Y597 | S386-A390 WeakPolarHBondContact O-CB 3.5Å; S386-A390 PolarHBondContact O-N 2.84Å; A387-A390 WeakPolarHBondContact O-CB 3.22Å; A387-A390 PolarHBondContact O-N 3.49Å; A387-A390 VanDerWaalsContact O-N 3.15Å; L388-A390 VanDerWaalsContact C-N 3.34Å; L388-A390 PolarHBondContact O-N 2.84Å; A390-N393 PolarHBondContact O-N 3.08Å; A390-N394 PolarHBondContact O-N 2.98Å; A390-N394 PolarHBondContact O-ND2 2.9Å; A390-Y597 HydrophobicContact CB-CE1 3.98Å |
| 391 | I | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.9 | -57.3 | 174.3 | -67.4 | 157.6 | 0 | 0 | 0 | 109.6 | I354 A387 L388 N393 N394 M395 I397 M590 M593 D594 Y597 | I354-I391 HydrophobicContact CD1-CG2 3.98Å; A387-I391 WeakPolarHBondContact O-CD1 3.38Å; A387-I391 VanDerWaalsContact O-CG1 3.3Å; A387-I391 WeakPolarHBondContact O-CG1 3.32Å; A387-I391 PolarHBondContact O-N 3.24Å; L388-I391 PolarHBondContact O-N 2.64Å; I391-N393 PolarHBondContact O-N 3.4Å; I391-N394 PolarHBondContact O-N 3.45Å; I391-M395 HydrophobicContact CG2-CB 4.4Å; I391-M395 WeakPolarHBondContact O-CA 3.5Å; I391-M395 WeakPolarHBondContact O-CB 3.4Å; I391-M395 PolarHBondContact O-N 2.69Å; I391-I397 HydrophobicContact CG2-CD1 4.42Å; I391-M590 HydrophobicContact CD1-CE 4.09Å; I391-M593 HydrophobicContact CD1-CB 3.84Å; I391-D594 HydrophobicContact CD1-CB 4.34Å; I391-Y597 HydrophobicContact CG1-CD1 4.36Å; I391-Y597 HydrophobicContact CG1-CG 4.17Å |
| 392 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.2 | -17.8 | -177.6 | -79.6 | 174.7 | 0 | 0 | 0 | 114.5 | L324 F344 T346 R351 I378 Y382 L388 T389 I397 | L324-L392 HydrophobicContact CD1-CD1 4.39Å; F344-L392 HydrophobicContact CB-CD2 3.78Å; T346-L392 HydrophobicContact CG2-CB 4.45Å; T346-L392 VanDerWaalsContact CG2-O 3.24Å; T346-L392 WeakPolarHBondContact CG2-O 3.34Å; T346-L392 PolarHBondContact OG1-O 3.47Å; R351-L392 PolarHBondContact NH2-O 2.96Å; I378-L392 HydrophobicContact CG2-CD1 3.77Å; Y382-L392 HydrophobicContact CD2-CB 3.75Å; Y382-L392 HydrophobicContact CD2-CD1 3.51Å; Y382-L392 HydrophobicContact CD2-CG 4.3Å; Y382-L392 HydrophobicContact CE2-CB 3.78Å; Y382-L392 HydrophobicContact CE2-CD1 4.32Å; Y382-L392 HydrophobicContact CG-CD1 3.97Å; L388-L392 HydrophobicContact CD1-CD1 4.26Å; L388-L392 HydrophobicContact CD1-CG 4.41Å; L388-L392 HydrophobicContact CG-CD1 4.23Å; L388-L392 PolarHBondContact O-N 2.91Å; T389-L392 PolarHBondContact O-N 3.08Å; L392-I397 HydrophobicContact CD2-CD1 3.89Å; L392-I397 HydrophobicContact CD2-CG1 4.01Å; L392-I397 HydrophobicContact CG-CD1 4.29Å |
| 393 | N | 97.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 30.3 Ų | 30.3 | 41% | 0.406 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -78.9 | -19.9 | 171.6 | -76.3 | -14.7 | 0 | 0 | 0 | 113.2 | R351 Y382 T389 A390 I391 | R351-N393 PolarHBondContact NH2-O 2.83Å; Y382-N393 PolarHBondContact OH-OD1 3.45Å; Y382-N393 VanDerWaalsContact OH-OD1 3.12Å; T389-N393 VanDerWaalsContact O-CB 3.25Å; T389-N393 WeakPolarHBondContact O-CB 3.34Å; T389-N393 PolarHBondContact O-N 2.9Å; T389-N393 PolarHBondContact O-ND2 3.17Å; A390-N393 PolarHBondContact O-N 3.08Å; I391-N393 PolarHBondContact O-N 3.4Å |
| 394 | N | 97.3 | Very high | 98.3 | Very high | 82 Ų | 82 | 27.5 Ų | 27.5 | 44% | 0.439 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -118.4 | -24.3 | -178 | -66.3 | -82.6 | 0 | 0 | 0 | 114.2 | R351 A390 I391 Y597 | R351-N394 PolarHBondContact NE-O 3.3Å; A390-N394 PolarHBondContact O-N 2.98Å; A390-N394 PolarHBondContact O-ND2 2.9Å; I391-N394 PolarHBondContact O-N 3.45Å; N394-Y597 HydrophobicContact CB-CD2 3.99Å; N394-Y597 HydrophobicContact CB-CE2 3.65Å; N394-Y597 WeakPolarHBondContact ND2-CE2 3.28Å |
| 395 | M | 98.4 | Very high | 98.4 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.025 | 12% | 0.123 | C | C | . | . | trans | -125.3 | 157.4 | -178.4 | -56 | -170.6 | 74.6 | 0 | 0 | 112.6 | R351 P352 I354 I391 K482 T596 | R351-M395 PolarHBondContact NH2-O 2.96Å; P352-M395 HydrophobicContact CB-CE 3.88Å; P352-M395 HydrophobicContact CB-CG 4.33Å; P352-M395 CarbonylContact O-C 3.49Å; P352-M395 WeakPolarHBondContact O-CA 3.33Å; P352-M395 VanDerWaalsContact O-CB 3.26Å; P352-M395 WeakPolarHBondContact O-CB 3.33Å; I354-M395 HydrophobicContact CD1-CE 4.05Å; I354-M395 HydrophobicContact CD1-SD 3.95Å; I354-M395 HydrophobicContact CG1-CE 3.85Å; I354-M395 HydrophobicContact CG1-SD 4.41Å; I391-M395 HydrophobicContact CG2-CB 4.4Å; I391-M395 WeakPolarHBondContact O-CA 3.5Å; I391-M395 WeakPolarHBondContact O-CB 3.4Å; I391-M395 PolarHBondContact O-N 2.69Å; M395-K482 HydrophobicContact CE-CB 4Å; M395-K482 HydrophobicContact CE-CG 4.09Å; M395-T596 HydrophobicContact CE-CG2 3.68Å; M395-T596 HydrophobicContact SD-CG2 4.23Å | ||
| 396 | D | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 148.6 | 167.2 | -70.9 | -10 | 0 | 0 | 0 | 109.6 | K343 F344 S345 R351 P352 A353 I354 F398 | K343-D396 WeakPolarHBondContact CE-OD2 3.25Å; K343-D396 IonicContact NZ-OD2 2.95Å; K343-D396 PolarHBondContact NZ-OD2 3.47Å; F344-D396 WeakPolarHBondContact O-CA 3.3Å; S345-D396 WeakPolarHBondContact CB-OD1 3.46Å; S345-D396 PolarHBondContact OG-OD1 2.79Å; R351-D396 IonicContact CZ-OD1 3.82Å; R351-D396 IonicContact NE-OD1 2.84Å; P352-D396 PolarHBondContact O-N 2.89Å; A353-D396 CarbonylContact C-O 3.43Å; A353-D396 WeakPolarHBondContact CA-O 3.27Å; A353-D396 HydrophobicContact CB-CB 4.16Å; I354-D396 PolarHBondContact N-O 3.03Å; D396-F398 HydrophobicContact CB-CE2 4.13Å; D396-F398 HydrophobicContact CB-CZ 4.47Å |
| 397 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.2 | 168.8 | -58 | 173.3 | 0 | 0 | 0 | 108.4 | K343 F344 I354 I356 I378 L388 I391 L392 M593 | K343-I397 WeakPolarHBondContact CA-O 3.46Å; F344-I397 HydrophobicContact CB-CB 4.24Å; F344-I397 HydrophobicContact CD2-CB 4.25Å; F344-I397 HydrophobicContact CD2-CG2 4.29Å; F344-I397 PolarHBondContact N-O 2.78Å; F344-I397 PolarHBondContact O-N 3.29Å; I354-I397 HydrophobicContact CB-CG1 4.46Å; I354-I397 HydrophobicContact CD1-CG1 4.49Å; I354-I397 CarbonylContact O-C 3.6Å; I354-I397 WeakPolarHBondContact O-CA 3.36Å; I356-I397 HydrophobicContact CD1-CG2 4.24Å; I378-I397 HydrophobicContact CD1-CG2 4.36Å; L388-I397 HydrophobicContact CD1-CD1 4.37Å; I391-I397 HydrophobicContact CG2-CD1 4.42Å; L392-I397 HydrophobicContact CD2-CD1 3.89Å; L392-I397 HydrophobicContact CD2-CG1 4.01Å; L392-I397 HydrophobicContact CG-CD1 4.29Å; I397-M593 HydrophobicContact CD1-SD 3.8Å; I397-M593 HydrophobicContact CG1-SD 4.5Å |
| 398 | F | 98.9 | Very high | 98 | Very high | 3 Ų | 3 | 11 Ų | 11 | 1% | 0.013 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.6 | 170.7 | -65.3 | -79.3 | 0 | 0 | 0 | 109 | I328 V341 L342 K343 A353 I354 W355 I356 D396 F474 H478 | I328-F398 HydrophobicContact CD1-CD1 4.43Å; I328-F398 HydrophobicContact CD1-CE1 3.85Å; V341-F398 HydrophobicContact CG1-CB 3.86Å; V341-F398 HydrophobicContact CG1-CD1 3.98Å; V341-F398 HydrophobicContact CG1-CG 4.41Å; L342-F398 CarbonylContact O-C 3.6Å; L342-F398 WeakPolarHBondContact O-CA 3.42Å; K343-F398 HydrophobicContact CB-CD1 3.9Å; K343-F398 HydrophobicContact CB-CE1 3.73Å; K343-F398 HydrophobicContact CD-CE1 3.67Å; K343-F398 HydrophobicContact CD-CZ 4.01Å; K343-F398 HydrophobicContact CG-CD1 4.11Å; K343-F398 HydrophobicContact CG-CE1 3.59Å; K343-F398 HydrophobicContact CG-CZ 4.15Å; A353-F398 HydrophobicContact CB-CD2 3.84Å; A353-F398 HydrophobicContact CB-CE2 3.59Å; I354-F398 PolarHBondContact O-N 2.76Å; W355-F398 HydrophobicContact CD2-CB 4.49Å; W355-F398 HydrophobicContact CE3-CB 3.74Å; W355-F398 HydrophobicContact CE3-CG 4.43Å; W355-F398 HydrophobicContact CZ3-CB 4.19Å; I356-F398 PolarHBondContact N-O 3.49Å; D396-F398 HydrophobicContact CB-CE2 4.13Å; D396-F398 HydrophobicContact CB-CZ 4.47Å; F398-F474 HydrophobicContact CD1-CE1 4.3Å; F398-F474 AromaticContact CD1-CZ 3.73Å; F398-F474 HydrophobicContact CD1-CZ 3.73Å; F398-F474 HydrophobicContact CD2-CE1 4.22Å; F398-F474 HydrophobicContact CD2-CZ 4.24Å; F398-F474 HydrophobicContact CE1-CE1 4.44Å; F398-F474 HydrophobicContact CE1-CE2 4.38Å; F398-F474 AromaticContact CE1-CZ 3.56Å; F398-F474 HydrophobicContact CE1-CZ 3.56Å; F398-F474 HydrophobicContact CE2-CE1 4.36Å; F398-F474 HydrophobicContact CE2-CZ 4.1Å; F398-F474 HydrophobicContact CG-CE1 4.19Å; F398-F474 HydrophobicContact CG-CZ 4.07Å; F398-F474 HydrophobicContact CZ-CE1 4.47Å; F398-F474 AromaticContact CZ-CZ 3.77Å; F398-F474 HydrophobicContact CZ-CZ 3.77Å; F398-H478 AromaticContact CE2-CD2 3.85Å; F398-H478 AromaticContact CE2-NE2 3.56Å; F398-H478 AromaticContact CZ-CD2 3.92Å; F398-H478 AromaticContact CZ-NE2 3.83Å |
| 399 | L | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 113.7 | 179.9 | 178 | 61.7 | 0 | 0 | 0 | 110.6 | L342 F344 I356 F374 A375 I401 | L342-L399 HydrophobicContact CB-CB 4.48Å; L342-L399 PolarHBondContact N-O 2.48Å; L342-L399 PolarHBondContact O-N 2.98Å; F344-L399 HydrophobicContact CE2-CB 3.94Å; F344-L399 HydrophobicContact CE2-CD2 4.24Å; I356-L399 HydrophobicContact CB-CD1 3.85Å; I356-L399 HydrophobicContact CG2-CD1 3.75Å; I356-L399 CarbonylContact O-C 3.58Å; I356-L399 VanDerWaalsContact O-CA 3.28Å; I356-L399 WeakPolarHBondContact O-CA 3.41Å; F374-L399 HydrophobicContact CB-CD2 4.38Å; A375-L399 HydrophobicContact CB-CD2 3.77Å; L399-I401 HydrophobicContact CD2-CG1 4.22Å; L399-I401 HydrophobicContact CG-CG1 4.01Å |
| 400 | E | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 105.4 | 172.6 | -167.7 | 177.1 | -146.5 | 0 | 0 | 110 | V341 W355 I356 D357 T358 T403 I471 | V341-E400 HydrophobicContact CG2-CB 4.14Å; V341-E400 HydrophobicContact CG2-CG 4.16Å; W355-E400 HydrophobicContact CH2-CB 4.34Å; W355-E400 HydrophobicContact CZ2-CB 3.96Å; W355-E400 WeakPolarHBondContact CZ2-OE2 3.37Å; I356-E400 PolarHBondContact O-N 2.81Å; D357-E400 WeakPolarHBondContact CA-O 3.3Å; D357-E400 HydrophobicContact CB-CB 4.21Å; T358-E400 PolarHBondContact N-O 3.34Å; T358-E400 PolarHBondContact OG1-O 2.78Å; E400-T403 VanDerWaalsContact CD-OG1 3.3Å; E400-T403 WeakPolarHBondContact CG-OG1 3.45Å; E400-T403 PolarHBondContact OE2-OG1 2.98Å; E400-I471 WeakPolarHBondContact OE2-CD1 3.36Å |
| 401 | I | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -77.6 | -34 | -171.9 | -61.2 | 178.6 | 0 | 0 | 0 | 112.2 | I310 F313 Q314 L342 T358 Q368 L372 A375 L399 | I310-I401 HydrophobicContact CG2-CB 4.3Å; I310-I401 HydrophobicContact CG2-CG2 3.82Å; F313-I401 HydrophobicContact CE1-CD1 4.35Å; Q314-I401 HydrophobicContact CG-CD1 4.38Å; L342-I401 HydrophobicContact CD1-CD1 4.04Å; T358-I401 CarbonylContact O-C 3.09Å; T358-I401 VanDerWaalsContact O-O 3.12Å; T358-I401 VanDerWaalsContact OG1-C 3.25Å; T358-I401 VanDerWaalsContact OG1-CA 3.26Å; T358-I401 WeakPolarHBondContact OG1-CA 3.35Å; T358-I401 PolarHBondContact OG1-O 3.42Å; Q368-I401 HydrophobicContact CB-CG2 4.38Å; Q368-I401 WeakPolarHBondContact CG-O 3.22Å; L372-I401 HydrophobicContact CD2-CD1 4.05Å; L372-I401 HydrophobicContact CD2-CG2 4.34Å; L372-I401 HydrophobicContact CG-CG2 4.29Å; A375-I401 HydrophobicContact CB-CD1 4.33Å; L399-I401 HydrophobicContact CD2-CG1 4.22Å; L399-I401 HydrophobicContact CG-CG1 4.01Å |
| 402 | A | 98.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | trans | -130.6 | 78.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L307 N404 P405 | L307-A402 HydrophobicContact CD1-CB 3.84Å; A402-N404 VanDerWaalsContact C-N 3.32Å; A402-N404 PolarHBondContact O-N 3.04Å; A402-P405 WeakPolarHBondContact O-CD 3.39Å | ||
| 403 | T | 98.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.012 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -68.1 | -28.5 | -176.8 | -64.2 | 0 | 0 | 0 | 0 | 113.6 | D357 T358 I360 E400 P405 I471 | D357-T403 WeakPolarHBondContact CB-OG1 3.37Å; T358-T403 PolarHBondContact O-N 3.2Å; T358-T403 PolarHBondContact O-OG1 2.89Å; I360-T403 HydrophobicContact CB-CG2 3.88Å; I360-T403 HydrophobicContact CD1-CG2 4.21Å; I360-T403 HydrophobicContact CG1-CG2 3.8Å; E400-T403 VanDerWaalsContact CD-OG1 3.3Å; E400-T403 WeakPolarHBondContact CG-OG1 3.45Å; E400-T403 PolarHBondContact OE2-OG1 2.98Å; T403-P405 VanDerWaalsContact C-CD 3.5Å; T403-P405 WeakPolarHBondContact O-CD 3.39Å; T403-I471 HydrophobicContact CG2-CD1 3.67Å |
| 404 | N | 98.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -118 | 74.9 | 172.7 | 178.9 | 7.8 | 0 | 0 | 0 | 110.4 | G359 I360 A402 D406 G407 Y408 R419 K420 | G359-N404 WeakPolarHBondContact O-CB 3.31Å; G359-N404 PolarHBondContact O-N 2.89Å; I360-N404 WeakPolarHBondContact O-CB 3.28Å; I360-N404 PolarHBondContact O-ND2 2.99Å; A402-N404 VanDerWaalsContact C-N 3.32Å; A402-N404 PolarHBondContact O-N 3.04Å; N404-D406 VanDerWaalsContact C-N 3.33Å; N404-D406 PolarHBondContact O-N 3.22Å; N404-G407 PolarHBondContact O-N 3.19Å; N404-G407 PolarHBondContact OD1-N 2.94Å; N404-Y408 WeakPolarHBondContact O-CB 3.32Å; N404-Y408 PolarHBondContact O-N 2.95Å; N404-R419 PolarHBondContact ND2-O 3.13Å; N404-K420 VanDerWaalsContact ND2-C 3.35Å; N404-K420 PolarHBondContact ND2-O 2.86Å |
| 405 | P | 98.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -68.8 | -30.1 | -172.1 | 28.9 | -36.2 | 0 | 0 | 0 | 112.9 | L307 R337 L339 A402 T403 Y408 Y409 | L307-P405 HydrophobicContact CD1-CB 4.03Å; L307-P405 HydrophobicContact CD2-CB 3.81Å; R337-P405 HydrophobicContact CB-CB 4.33Å; R337-P405 HydrophobicContact CB-CG 4.22Å; L339-P405 HydrophobicContact CD2-CG 3.77Å; A402-P405 WeakPolarHBondContact O-CD 3.39Å; T403-P405 VanDerWaalsContact C-CD 3.5Å; T403-P405 WeakPolarHBondContact O-CD 3.39Å; P405-Y408 PolarHBondContact O-N 3.23Å; P405-Y409 VanDerWaalsContact O-CB 3.32Å; P405-Y409 WeakPolarHBondContact O-CB 3.34Å; P405-Y409 PolarHBondContact O-N 2.81Å |
| 406 | D | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -69.8 | -47.7 | 178.4 | -63.7 | -7.6 | 0 | 0 | 0 | 111 | S333 Y334 E335 R337 N404 Y408 Y409 F410 R422 | S333-D406 VanDerWaalsContact CB-CG 3.44Å; S333-D406 VanDerWaalsContact CB-OD1 3.23Å; S333-D406 WeakPolarHBondContact CB-OD1 3.39Å; S333-D406 VanDerWaalsContact CB-OD2 3.26Å; S333-D406 WeakPolarHBondContact CB-OD2 3.08Å; S333-D406 PolarHBondContact OG-OD1 3.2Å; S333-D406 PolarHBondContact OG-OD2 3.3Å; S333-D406 VanDerWaalsContact OG-OD2 3.11Å; Y334-D406 PolarHBondContact N-OD2 3.13Å; E335-D406 WeakPolarHBondContact CB-OD2 3.41Å; E335-D406 HydrophobicContact CG-CB 4.37Å; E335-D406 WeakPolarHBondContact CG-OD2 3.28Å; E335-D406 PolarHBondContact N-OD2 3.33Å; R337-D406 IonicContact CZ-OD1 3.39Å; R337-D406 VanDerWaalsContact NH1-CG 3.35Å; R337-D406 IonicContact NH1-OD1 3.6Å; R337-D406 PolarHBondContact NH1-OD1 3.19Å; N404-D406 VanDerWaalsContact C-N 3.33Å; N404-D406 PolarHBondContact O-N 3.22Å; D406-Y408 VanDerWaalsContact C-N 3.33Å; D406-Y408 PolarHBondContact O-N 2.88Å; D406-Y409 PolarHBondContact O-N 3.06Å; D406-F410 WeakPolarHBondContact O-CB 3.42Å; D406-F410 PolarHBondContact O-N 2.86Å; D406-R422 HydrophobicContact CB-CB 3.84Å; D406-R422 HydrophobicContact CB-CG 3.77Å |
| 407 | G | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S362 N404 Y409 F410 T411 | S362-G407 WeakPolarHBondContact CB-O 3.42Å; N404-G407 PolarHBondContact O-N 3.19Å; N404-G407 PolarHBondContact OD1-N 2.94Å; G407-Y409 PolarHBondContact O-N 2.66Å; G407-F410 CarbonylContact O-C 3.57Å; G407-F410 WeakPolarHBondContact O-CA 3.14Å; G407-F410 WeakPolarHBondContact O-CB 3.5Å; G407-F410 PolarHBondContact O-N 3.41Å; G407-F410 VanDerWaalsContact O-N 3.09Å; G407-T411 WeakPolarHBondContact O-CG2 3.46Å; G407-T411 PolarHBondContact O-N 3.12Å |
| 408 | Y | 97.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 1% | 0.012 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | -178.8 | -171.7 | -108.5 | 0 | 0 | 0 | 111.2 | H305 L307 I310 W365 Q368 N404 P405 D406 F410 T411 H412 | H305-Y408 WeakPolarHBondContact O-CE1 3.46Å; H305-Y408 PolarHBondContact O-OH 3.48Å; L307-Y408 HydrophobicContact CB-CD1 4.11Å; L307-Y408 HydrophobicContact CD1-CD1 4.17Å; I310-Y408 HydrophobicContact CD1-CD1 4.32Å; I310-Y408 HydrophobicContact CD1-CE1 3.53Å; W365-Y408 AromaticContact CD1-CD2 3.95Å; W365-Y408 AromaticContact CD1-CE2 3.45Å; W365-Y408 VanDerWaalsContact CD1-CE2 3.45Å; W365-Y408 HydrophobicContact CG-CE2 4.06Å; W365-Y408 AromaticContact NE1-CD2 3.9Å; W365-Y408 AromaticContact NE1-CE2 3.57Å; Q368-Y408 HydrophobicContact CB-CE2 4.31Å; Q368-Y408 HydrophobicContact CG-CD2 4.13Å; Q368-Y408 HydrophobicContact CG-CE2 3.91Å; N404-Y408 WeakPolarHBondContact O-CB 3.32Å; N404-Y408 PolarHBondContact O-N 2.95Å; P405-Y408 PolarHBondContact O-N 3.23Å; D406-Y408 VanDerWaalsContact C-N 3.33Å; D406-Y408 PolarHBondContact O-N 2.88Å; Y408-F410 VanDerWaalsContact C-N 3.29Å; Y408-F410 PolarHBondContact O-N 2.91Å; Y408-T411 PolarHBondContact O-N 3.48Å; Y408-T411 VanDerWaalsContact O-N 3.13Å; Y408-T411 PolarHBondContact O-OG1 3.35Å; Y408-H412 AromaticContact CE1-CD2 3.91Å; Y408-H412 AromaticContact CE1-NE2 3.52Å; Y408-H412 AromaticContact CE2-NE2 3.78Å; Y408-H412 AromaticContact CZ-CD2 3.93Å; Y408-H412 AromaticContact CZ-NE2 3.23Å; Y408-H412 PolarHBondContact O-CD2 3.26Å; Y408-H412 PolarHBondContact O-N 3.29Å; Y408-H412 PolarHBondContact OH-NE2 3.11Å |
| 409 | Y | 90 | Very high | 91.6 | Very high | 57 Ų | 57 | 12.7 Ų | 12.7 | 22% | 0.224 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.9 | -45.4 | 172.5 | -176.9 | -89.5 | 0 | 0 | 0 | 111.7 | R337 P405 D406 G407 T411 H412 T413 | R337-Y409 VanDerWaalsContact NH2-CG 3.32Å; P405-Y409 VanDerWaalsContact O-CB 3.32Å; P405-Y409 WeakPolarHBondContact O-CB 3.34Å; P405-Y409 PolarHBondContact O-N 2.81Å; D406-Y409 PolarHBondContact O-N 3.06Å; G407-Y409 PolarHBondContact O-N 2.66Å; Y409-T411 VanDerWaalsContact C-N 3.27Å; Y409-T411 PolarHBondContact O-N 2.9Å; Y409-H412 PolarHBondContact O-N 2.73Å; Y409-H412 VanDerWaalsContact O-N 3.09Å; Y409-T413 HydrophobicContact CD1-CG2 4.17Å; Y409-T413 HydrophobicContact CE1-CG2 3.65Å; Y409-T413 HydrophobicContact CE2-CG2 4.32Å; Y409-T413 PolarHBondContact O-N 3.18Å; Y409-T413 VanDerWaalsContact O-N 3.11Å; Y409-T413 PolarHBondContact O-OG1 3.46Å |
| 410 | F | 86.8 | Confident | 91.5 | Very high | 39 Ų | 39 | 12.8 Ų | 12.8 | 17% | 0.171 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.1 | -29.7 | 178.8 | -167 | -106.8 | 0 | 0 | 0 | 113.3 | D406 G407 Y408 H412 S414 D415 W418 R422 | D406-F410 WeakPolarHBondContact O-CB 3.42Å; D406-F410 PolarHBondContact O-N 2.86Å; G407-F410 CarbonylContact O-C 3.57Å; G407-F410 WeakPolarHBondContact O-CA 3.14Å; G407-F410 WeakPolarHBondContact O-CB 3.5Å; G407-F410 PolarHBondContact O-N 3.41Å; G407-F410 VanDerWaalsContact O-N 3.09Å; Y408-F410 VanDerWaalsContact C-N 3.29Å; Y408-F410 PolarHBondContact O-N 2.91Å; F410-H412 VanDerWaalsContact C-N 3.33Å; F410-S414 VanDerWaalsContact CD2-CB 3.5Å; F410-S414 WeakPolarHBondContact CD2-OG 3.36Å; F410-S414 VanDerWaalsContact CE2-OG 3.27Å; F410-S414 WeakPolarHBondContact CE2-OG 3.39Å; F410-S414 WeakPolarHBondContact O-CA 3.46Å; F410-S414 WeakPolarHBondContact O-CB 2.95Å; F410-S414 PolarHBondContact O-N 2.57Å; F410-D415 HydrophobicContact CD1-CB 4.07Å; F410-D415 HydrophobicContact CE1-CB 3.55Å; F410-D415 HydrophobicContact CZ-CB 4.31Å; F410-D415 PolarHBondContact O-N 3.02Å; F410-W418 HydrophobicContact CD1-CB 3.68Å; F410-W418 AromaticContact CD1-CD1 3.92Å; F410-W418 AromaticContact CD1-CD2 3.66Å; F410-W418 HydrophobicContact CD1-CD2 3.66Å; F410-W418 HydrophobicContact CD1-CE3 4.1Å; F410-W418 AromaticContact CD1-CG 3.46Å; F410-W418 HydrophobicContact CD1-CG 3.46Å; F410-W418 VanDerWaalsContact CD1-CG 3.46Å; F410-W418 HydrophobicContact CE1-CB 4.18Å; F410-W418 AromaticContact CE1-CD2 3.69Å; F410-W418 HydrophobicContact CE1-CD2 3.69Å; F410-W418 AromaticContact CE1-CE3 3.62Å; F410-W418 HydrophobicContact CE1-CE3 3.62Å; F410-W418 AromaticContact CE1-CG 3.95Å; F410-W418 HydrophobicContact CE1-CG 3.95Å; F410-W418 HydrophobicContact CE1-CZ3 4.28Å; F410-R422 HydrophobicContact CB-CG 4.43Å |
| 411 | T | 84.8 | Confident | 91.4 | Very high | 4 Ų | 4 | 12.8 Ų | 12.8 | 3% | 0.025 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.9 | -26.1 | 173.9 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | W365 G407 Y408 Y409 D415 R416 W418 | W365-T411 PolarHBondContact NE1-OG1 3.01Å; G407-T411 WeakPolarHBondContact O-CG2 3.46Å; G407-T411 PolarHBondContact O-N 3.12Å; Y408-T411 PolarHBondContact O-N 3.48Å; Y408-T411 VanDerWaalsContact O-N 3.13Å; Y408-T411 PolarHBondContact O-OG1 3.35Å; Y409-T411 VanDerWaalsContact C-N 3.27Å; Y409-T411 PolarHBondContact O-N 2.9Å; T411-D415 VanDerWaalsContact CA-O 3.31Å; T411-D415 WeakPolarHBondContact CA-O 3.29Å; T411-R416 WeakPolarHBondContact O-CA 3.37Å; T411-W418 HydrophobicContact CG2-CB 3.96Å; T411-W418 WeakPolarHBondContact CG2-O 3.39Å |
| 412 | H | 82.6 | Confident | 91.3 | Very high | 42 Ų | 42 | 14.1 Ų | 14.1 | 19% | 0.194 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -83.1 | -35.7 | 176.7 | -80.6 | -105.1 | 0 | 0 | 0 | 111.9 | M284 H305 W365 Y408 Y409 F410 | M284-H412 VanDerWaalsContact CE-CE1 3.46Å; M284-H412 WeakPolarHBondContact CE-CE1 3.27Å; H305-H412 PolarHBondContact O-CE1 2.66Å; H305-H412 VanDerWaalsContact O-CE1 3.29Å; H305-H412 PolarHBondContact O-NE2 2.79Å; W365-H412 AromaticContact CE2-CD2 3.76Å; W365-H412 AromaticContact CE2-NE2 3.44Å; W365-H412 AromaticContact CH2-CD2 3.93Å; W365-H412 AromaticContact CH2-CE1 3.56Å; W365-H412 AromaticContact CH2-ND1 3.89Å; W365-H412 AromaticContact CH2-NE2 3.61Å; W365-H412 AromaticContact CZ2-CD2 3.24Å; W365-H412 WeakPolarHBondContact CZ2-CD2 3.21Å; W365-H412 AromaticContact CZ2-CE1 3.63Å; W365-H412 AromaticContact CZ2-CG 3.75Å; W365-H412 AromaticContact CZ2-NE2 3.16Å; W365-H412 WeakPolarHBondContact CZ2-NE2 3.07Å; W365-H412 AromaticContact NE1-NE2 3.95Å; Y408-H412 AromaticContact CE1-CD2 3.91Å; Y408-H412 AromaticContact CE1-NE2 3.52Å; Y408-H412 AromaticContact CE2-NE2 3.78Å; Y408-H412 AromaticContact CZ-CD2 3.93Å; Y408-H412 AromaticContact CZ-NE2 3.23Å; Y408-H412 PolarHBondContact O-CD2 3.26Å; Y408-H412 PolarHBondContact O-N 3.29Å; Y408-H412 PolarHBondContact OH-NE2 3.11Å; Y409-H412 PolarHBondContact O-N 2.73Å; Y409-H412 VanDerWaalsContact O-N 3.09Å; F410-H412 VanDerWaalsContact C-N 3.33Å |
| 413 | T | 76.5 | Confident | 90.9 | Very high | 24 Ų | 24 | 16.7 Ų | 16.7 | 15% | 0.147 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -90.3 | -48.3 | -177.2 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | D118 Y409 | D118-T413 WeakPolarHBondContact CB-O 3.43Å; D118-T413 VanDerWaalsContact CG-O 3.25Å; Y409-T413 HydrophobicContact CD1-CG2 4.17Å; Y409-T413 HydrophobicContact CE1-CG2 3.65Å; Y409-T413 HydrophobicContact CE2-CG2 4.32Å; Y409-T413 PolarHBondContact O-N 3.18Å; Y409-T413 VanDerWaalsContact O-N 3.11Å; Y409-T413 PolarHBondContact O-OG1 3.46Å |
| 414 | S | 75.3 | Confident | 90.4 | Very high | 13 Ų | 13 | 19 Ų | 19 | 9% | 0.091 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -67.3 | -157.5 | -47.2 | 0 | 0 | 0 | 0 | 112.9 | D118 F410 | D118-S414 VanDerWaalsContact OD2-CA 3.26Å; D118-S414 WeakPolarHBondContact OD2-CA 3.44Å; D118-S414 WeakPolarHBondContact OD2-CB 2.88Å; D118-S414 PolarHBondContact OD2-OG 2.69Å; F410-S414 VanDerWaalsContact CD2-CB 3.5Å; F410-S414 WeakPolarHBondContact CD2-OG 3.36Å; F410-S414 VanDerWaalsContact CE2-OG 3.27Å; F410-S414 WeakPolarHBondContact CE2-OG 3.39Å; F410-S414 WeakPolarHBondContact O-CA 3.46Å; F410-S414 WeakPolarHBondContact O-CB 2.95Å; F410-S414 PolarHBondContact O-N 2.57Å |
| 415 | D | 81.4 | Confident | 89.7 | Confident | 13 Ų | 13 | 19.5 Ų | 19.5 | 7% | 0.07 | 9% | 0.092 | C | C | . | . | trans | -129.1 | 99.2 | -172.6 | -174.8 | -15.1 | 0 | 0 | 0 | 110.1 | K198 F200 F410 T411 M417 W418 | K198-D415 HydrophobicContact CD-CB 4.36Å; K198-D415 IonicContact NZ-OD2 3.85Å; K198-D415 PolarHBondContact NZ-OD2 3.39Å; F200-D415 WeakPolarHBondContact CZ-OD1 3.14Å; F410-D415 HydrophobicContact CD1-CB 4.07Å; F410-D415 HydrophobicContact CE1-CB 3.55Å; F410-D415 HydrophobicContact CZ-CB 4.31Å; F410-D415 PolarHBondContact O-N 3.02Å; T411-D415 VanDerWaalsContact CA-O 3.31Å; T411-D415 WeakPolarHBondContact CA-O 3.29Å; D415-M417 PolarHBondContact O-N 3.23Å; D415-M417 VanDerWaalsContact O-N 3.08Å; D415-M417 WeakPolarHBondContact OD1-CA 3.38Å; D415-M417 WeakPolarHBondContact OD1-CB 3.49Å; D415-M417 PolarHBondContact OD1-N 2.68Å; D415-W418 HydrophobicContact CB-CB 4.21Å; D415-W418 WeakPolarHBondContact O-CB 3.32Å; D415-W418 PolarHBondContact O-N 3.29Å; D415-W418 PolarHBondContact OD1-N 3.18Å | ||
| 416 | R | 90.6 | Very high | 89 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.015 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20 | -179.3 | -177.1 | 52.4 | -176.9 | 88.8 | -1.5 | 113.8 | L277 E280 R363 W365 T411 F571 L572 | L277-R416 HydrophobicContact CD2-CB 3.98Å; L277-R416 HydrophobicContact CD2-CG 3.35Å; E280-R416 IonicContact OE1-CZ 3.08Å; E280-R416 IonicContact OE1-NE 3.65Å; E280-R416 PolarHBondContact OE1-NE 3.37Å; E280-R416 IonicContact OE1-NH2 3.91Å; E280-R416 IonicContact OE2-CZ 3.98Å; E280-R416 IonicContact OE2-NE 3.95Å; E280-R416 PolarHBondContact OE2-NE 3.37Å; E280-R416 IonicContact OE2-NH2 3.74Å; E280-R416 PolarHBondContact OE2-NH2 2.84Å; R363-R416 PolarHBondContact O-NH1 3.26Å; W365-R416 VanDerWaalsContact CE2-NE 3.33Å; T411-R416 WeakPolarHBondContact O-CA 3.37Å; R416-F571 PolarHBondContact NH2-O 3.25Å; R416-L572 HydrophobicContact CG-CD2 4.26Å |
| 417 | M | 90.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 2.7 | 178 | -63.7 | -60.5 | 114.2 | 0 | 0 | 113.2 | F200 W233 L277 R363 D415 R419 L572 | F200-M417 HydrophobicContact CD1-CG 4.39Å; F200-M417 HydrophobicContact CE1-CB 4.21Å; F200-M417 HydrophobicContact CE1-CG 3.65Å; F200-M417 HydrophobicContact CE2-CG 4.3Å; F200-M417 HydrophobicContact CZ-CB 4Å; F200-M417 HydrophobicContact CZ-CG 3.59Å; W233-M417 HydrophobicContact CH2-SD 4.34Å; W233-M417 HydrophobicContact CZ2-CE 4.4Å; W233-M417 HydrophobicContact CZ2-SD 3.44Å; W233-M417 WeakPolarHBondContact CZ2-SD 3.23Å; L277-M417 HydrophobicContact CD2-CE 4.35Å; R363-M417 WeakPolarHBondContact CD-O 3.32Å; R363-M417 PolarHBondContact NH1-O 2.63Å; D415-M417 PolarHBondContact O-N 3.23Å; D415-M417 VanDerWaalsContact O-N 3.08Å; D415-M417 WeakPolarHBondContact OD1-CA 3.38Å; D415-M417 WeakPolarHBondContact OD1-CB 3.49Å; D415-M417 PolarHBondContact OD1-N 2.68Å; M417-R419 PolarHBondContact O-N 2.75Å; M417-L572 HydrophobicContact CE-CD1 4.23Å; M417-L572 HydrophobicContact CE-CD2 3.54Å; M417-L572 HydrophobicContact CE-CG 4.02Å |
| 418 | W | 92.4 | Very high | 87.4 | Confident | 31 Ų | 31 | 34.9 Ų | 34.9 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | trans | -64.8 | 133 | 179.6 | -167.9 | -97.1 | 0 | 0 | 0 | 112.1 | S362 R363 F410 T411 D415 K420 T421 R422 Y431 | S362-W418 PolarHBondContact OG-O 3.34Å; R363-W418 VanDerWaalsContact CB-O 3.26Å; R363-W418 WeakPolarHBondContact CB-O 3.35Å; R363-W418 PolarHBondContact N-O 2.85Å; F410-W418 HydrophobicContact CD1-CB 3.68Å; F410-W418 AromaticContact CD1-CD1 3.92Å; F410-W418 AromaticContact CD1-CD2 3.66Å; F410-W418 HydrophobicContact CD1-CD2 3.66Å; F410-W418 HydrophobicContact CD1-CE3 4.1Å; F410-W418 AromaticContact CD1-CG 3.46Å; F410-W418 HydrophobicContact CD1-CG 3.46Å; F410-W418 VanDerWaalsContact CD1-CG 3.46Å; F410-W418 HydrophobicContact CE1-CB 4.18Å; F410-W418 AromaticContact CE1-CD2 3.69Å; F410-W418 HydrophobicContact CE1-CD2 3.69Å; F410-W418 AromaticContact CE1-CE3 3.62Å; F410-W418 HydrophobicContact CE1-CE3 3.62Å; F410-W418 AromaticContact CE1-CG 3.95Å; F410-W418 HydrophobicContact CE1-CG 3.95Å; F410-W418 HydrophobicContact CE1-CZ3 4.28Å; T411-W418 HydrophobicContact CG2-CB 3.96Å; T411-W418 WeakPolarHBondContact CG2-O 3.39Å; D415-W418 HydrophobicContact CB-CB 4.21Å; D415-W418 WeakPolarHBondContact O-CB 3.32Å; D415-W418 PolarHBondContact O-N 3.29Å; D415-W418 PolarHBondContact OD1-N 3.18Å; W418-K420 VanDerWaalsContact CD1-O 3.28Å; W418-K420 HydrophobicContact CZ2-CB 4.29Å; W418-K420 PolarHBondContact NE1-O 2.88Å; W418-T421 WeakPolarHBondContact CZ2-O 2.94Å; W418-T421 PolarHBondContact NE1-O 2.89Å; W418-R422 VanDerWaalsContact CZ2-NH1 3.3Å; W418-Y431 WeakPolarHBondContact CH2-O 3.46Å; W418-Y431 WeakPolarHBondContact CZ2-O 3.37Å | ||
| 419 | R | 95.8 | Very high | 86.3 | Confident | 23 Ų | 23 | 38.5 Ų | 38.5 | 9% | 0.087 | 22% | 0.219 | C | C | . | . | trans | -107.7 | -47.3 | -177.6 | 179.4 | -174.7 | 168.5 | 85.2 | -7.6 | 112.6 | H361 S362 E364 N404 M417 D434 E455 | H361-R419 WeakPolarHBondContact CA-O 3.39Å; H361-R419 HydrophobicContact CB-CG 3.96Å; H361-R419 PolarHBondContact CE1-NH1 2.81Å; H361-R419 VanDerWaalsContact CE1-NH1 3.26Å; H361-R419 PolarHBondContact CE1-NH2 3.36Å; H361-R419 VanDerWaalsContact ND1-CZ 3.34Å; H361-R419 PolarHBondContact ND1-NH1 3.38Å; H361-R419 VanDerWaalsContact NE2-CZ 3.32Å; H361-R419 PolarHBondContact NE2-NH2 2.82Å; H361-R419 VanDerWaalsContact NE2-NH2 3.13Å; S362-R419 PolarHBondContact N-O 2.7Å; S362-R419 VanDerWaalsContact N-O 3.15Å; S362-R419 PolarHBondContact OG-O 3.38Å; S362-R419 VanDerWaalsContact OG-O 3.08Å; E364-R419 IonicContact OE1-NH1 3.26Å; E364-R419 PolarHBondContact OE1-NH1 2.93Å; N404-R419 PolarHBondContact ND2-O 3.13Å; M417-R419 PolarHBondContact O-N 2.75Å; R419-D434 IonicContact CZ-OD2 3.89Å; R419-D434 IonicContact NE-OD2 3.45Å; R419-D434 PolarHBondContact NE-OD2 2.9Å; R419-D434 VanDerWaalsContact NE-OD2 3.09Å; R419-D434 IonicContact NH2-OD1 3.28Å; R419-D434 IonicContact NH2-OD2 3.45Å; R419-D434 PolarHBondContact NH2-OD2 3.37Å; R419-E455 WeakPolarHBondContact CB-OE2 3.46Å | ||
| 420 | K | 97.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -76 | 178.7 | -164.1 | -66.1 | -167.1 | -67 | 175.6 | 0 | 114.1 | N404 W418 Y431 G432 V433 P452 S454 | N404-K420 VanDerWaalsContact ND2-C 3.35Å; N404-K420 PolarHBondContact ND2-O 2.86Å; W418-K420 VanDerWaalsContact CD1-O 3.28Å; W418-K420 HydrophobicContact CZ2-CB 4.29Å; W418-K420 PolarHBondContact NE1-O 2.88Å; K420-Y431 VanDerWaalsContact CE-O 3.28Å; K420-Y431 WeakPolarHBondContact CE-O 3.47Å; K420-Y431 PolarHBondContact NZ-O 3.13Å; K420-Y431 VanDerWaalsContact NZ-O 3.12Å; K420-G432 PolarHBondContact NZ-O 3.05Å; K420-V433 WeakPolarHBondContact CA-O 3.43Å; K420-V433 VanDerWaalsContact CB-O 3.28Å; K420-V433 WeakPolarHBondContact CB-O 3.37Å; K420-P452 PolarHBondContact NZ-O 3.29Å; K420-P452 VanDerWaalsContact NZ-O 3.17Å; K420-S454 WeakPolarHBondContact CD-O 3.45Å; K420-S454 PolarHBondContact NZ-O 3.05Å |
| 421 | T | 97.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -66 | -177.9 | 163.8 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | W418 G432 V433 P435 E465 | W418-T421 WeakPolarHBondContact CZ2-O 2.94Å; W418-T421 PolarHBondContact NE1-O 2.89Å; T421-G432 WeakPolarHBondContact O-CA 3.09Å; T421-G432 WeakPolarHBondContact OG1-CA 3.43Å; T421-V433 PolarHBondContact N-O 3.05Å; T421-V433 PolarHBondContact OG1-N 3.36Å; T421-V433 PolarHBondContact OG1-O 3.37Å; T421-P435 HydrophobicContact CG2-CB 4.04Å; T421-P435 HydrophobicContact CG2-CG 4.3Å; T421-E465 WeakPolarHBondContact CB-OE2 3.35Å; T421-E465 HydrophobicContact CG2-CB 4.22Å; T421-E465 HydrophobicContact CG2-CG 4.04Å; T421-E465 PolarHBondContact OG1-OE2 2.84Å | ||
| 422 | R | 95.8 | Very high | 86.2 | Confident | 29 Ų | 29 | 38.7 Ų | 38.7 | 11% | 0.109 | 22% | 0.223 | C | C | . | . | trans | -115.5 | 10 | -179 | -70.3 | -62.9 | -57.1 | 157.4 | 0.9 | 115 | E335 D406 F410 W418 | E335-R422 HydrophobicContact CG-CB 4.4Å; E335-R422 WeakPolarHBondContact OE1-CB 3.39Å; E335-R422 IonicContact OE1-NE 2.77Å; D406-R422 HydrophobicContact CB-CB 3.84Å; D406-R422 HydrophobicContact CB-CG 3.77Å; F410-R422 HydrophobicContact CB-CG 4.43Å; W418-R422 VanDerWaalsContact CZ2-NH1 3.3Å | ||
| 423 | K | 90.9 | Very high | 86.9 | Confident | 59 Ų | 59 | 36.7 Ų | 36.7 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | trans | -64.7 | 127 | 176.8 | -175.9 | 172.4 | -179.3 | -172.2 | 0 | 111.6 | Y334 G432 S464 E465 | Y334-K423 HydrophobicContact CD1-CB 4.3Å; Y334-K423 HydrophobicContact CD2-CB 3.85Å; Y334-K423 HydrophobicContact CD2-CD 4Å; Y334-K423 HydrophobicContact CD2-CG 3.62Å; Y334-K423 HydrophobicContact CE2-CB 4.28Å; Y334-K423 HydrophobicContact CE2-CD 4.27Å; Y334-K423 HydrophobicContact CE2-CG 3.67Å; Y334-K423 HydrophobicContact CG-CB 3.86Å; Y334-K423 HydrophobicContact CG-CG 4.16Å; K423-G432 PolarHBondContact O-N 3.35Å; K423-S464 PolarHBondContact NZ-O 3.48Å; K423-E465 IonicContact NZ-OE1 2.81Å | ||
| 424 | P | 87.5 | Confident | 87.9 | Confident | 51 Ų | 51 | 35.5 Ų | 35.5 | 33% | 0.331 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -62.1 | 139.1 | 174.1 | -17.6 | 27.2 | 0 | 0 | 0 | 111.7 | Y334 P426 Y431 | Y334-P424 HydrophobicContact CE1-CG 4.1Å; Y334-P424 VanDerWaalsContact OH-CD 3.28Å; Y334-P424 WeakPolarHBondContact OH-CD 3.31Å; P424-P426 WeakPolarHBondContact O-CD 3.44Å; P424-Y431 HydrophobicContact CB-CD1 4.09Å; P424-Y431 HydrophobicContact CB-CE1 3.91Å; P424-Y431 HydrophobicContact CG-CD1 4Å; P424-Y431 HydrophobicContact CG-CE1 3.73Å |
| 425 | N | 84.2 | Confident | 89 | Confident | 11 Ų | 11 | 35 Ų | 35 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | trans | -96.2 | 112.6 | 174.5 | -64.4 | -53.7 | 0 | 0 | 0 | 110.1 | G427 Y428 C430 G432 P452 Y457 | N425-G427 PolarHBondContact O-N 3.11Å; N425-Y428 PolarHBondContact O-N 3.29Å; N425-Y428 VanDerWaalsContact O-N 3.11Å; N425-C430 WeakPolarHBondContact CB-O 3.38Å; N425-C430 PolarHBondContact ND2-O 3.02Å; N425-G432 PolarHBondContact ND2-O 3.3Å; N425-G432 VanDerWaalsContact ND2-O 3.12Å; N425-P452 HydrophobicContact CB-CB 3.9Å; N425-Y457 WeakPolarHBondContact OD1-CE1 3.44Å | ||
| 426 | P | 83.1 | Confident | 89.8 | Confident | 124 Ų | 124 | 35.1 Ų | 35.1 | 81% | 0.805 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 130.7 | -176.5 | -26 | 34.9 | 0 | 0 | 0 | 112.7 | P424 Y428 | P424-P426 WeakPolarHBondContact O-CD 3.44Å; P426-Y428 VanDerWaalsContact C-N 3.33Å |
| 427 | G | 77.4 | Confident | 90.2 | Very high | 83 Ų | 83 | 35.2 Ų | 35.2 | 86% | 0.856 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 0.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N425 | N425-G427 PolarHBondContact O-N 3.11Š|
| 428 | Y | 76.6 | Confident | 90.6 | Very high | 116 Ų | 116 | 35 Ų | 35 | 46% | 0.455 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -126.5 | 154.1 | 176.6 | -65.8 | -94.6 | 0 | 0 | 0 | 110.6 | N425 P426 C430 Y451 P452 | N425-Y428 PolarHBondContact O-N 3.29Å; N425-Y428 VanDerWaalsContact O-N 3.11Å; P426-Y428 VanDerWaalsContact C-N 3.33Å; Y428-C430 VanDerWaalsContact C-N 3.25Å; Y428-Y451 HydrophobicContact CD1-CE2 4.37Å; Y428-Y451 HydrophobicContact CE1-CD2 4.3Å; Y428-Y451 AromaticContact CE1-CE2 3.89Å; Y428-Y451 HydrophobicContact CE1-CE2 3.89Å; Y428-P452 HydrophobicContact CD1-CB 4.28Å; Y428-P452 HydrophobicContact CD1-CG 4.3Å; Y428-P452 HydrophobicContact CD2-CB 3.98Å; Y428-P452 HydrophobicContact CD2-CG 3.69Å; Y428-P452 HydrophobicContact CE1-CG 4.21Å; Y428-P452 HydrophobicContact CE2-CB 4.37Å; Y428-P452 HydrophobicContact CE2-CG 3.6Å; Y428-P452 HydrophobicContact CG-CB 3.93Å; Y428-P452 HydrophobicContact CG-CG 4.05Å |
| 429 | S | 74.6 | Confident | 90.9 | Very high | 79 Ų | 79 | 33.5 Ų | 33.5 | 55% | 0.552 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -77.9 | -12.1 | 171.9 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | Y431 | S429-Y431 WeakPolarHBondContact O-CD2 3.46Å; S429-Y431 WeakPolarHBondContact O-CE2 3.4Å |
| 430 | C | 77.4 | Confident | 91 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | trans | -92 | 145.8 | -173.7 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | N425 Y428 C453 | N425-C430 WeakPolarHBondContact CB-O 3.38Å; N425-C430 PolarHBondContact ND2-O 3.02Å; Y428-C430 VanDerWaalsContact C-N 3.25Å; C430-C453 HydrophobicContact CB-CB 3.7Å; C430-C453 WeakPolarHBondContact CB-SG 3.47Å; C430-C453 VanDerWaalsContact SG-CA 3.56Å; C430-C453 WeakPolarHBondContact SG-CB 3.46Å; C430-C453 CovalentContact SG-SG 2.03Å; C430-C453 PolarHBondContact SG-SG 2.99Å | ||
| 431 | Y | 89.9 | Confident | 91.1 | Very high | 69 Ų | 69 | 36.7 Ų | 36.7 | 27% | 0.271 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -109.4 | 157.6 | -177.8 | -68.6 | -112.6 | 0 | 0 | 0 | 110.4 | W418 K420 P424 S429 | W418-Y431 WeakPolarHBondContact CH2-O 3.46Å; W418-Y431 WeakPolarHBondContact CZ2-O 3.37Å; K420-Y431 VanDerWaalsContact CE-O 3.28Å; K420-Y431 WeakPolarHBondContact CE-O 3.47Å; K420-Y431 PolarHBondContact NZ-O 3.13Å; K420-Y431 VanDerWaalsContact NZ-O 3.12Å; P424-Y431 HydrophobicContact CB-CD1 4.09Å; P424-Y431 HydrophobicContact CB-CE1 3.91Å; P424-Y431 HydrophobicContact CG-CD1 4Å; P424-Y431 HydrophobicContact CG-CE1 3.73Å; S429-Y431 WeakPolarHBondContact O-CD2 3.46Å; S429-Y431 WeakPolarHBondContact O-CE2 3.4Å |
| 432 | G | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | 81 | 154.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K420 T421 K423 N425 | K420-G432 PolarHBondContact NZ-O 3.05Å; T421-G432 WeakPolarHBondContact O-CA 3.09Å; T421-G432 WeakPolarHBondContact OG1-CA 3.43Å; K423-G432 PolarHBondContact O-N 3.35Å; N425-G432 PolarHBondContact ND2-O 3.3Å; N425-G432 VanDerWaalsContact ND2-O 3.12Å | ||
| 433 | V | 97.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -114.5 | 148.8 | 169.9 | 171.5 | 0 | 0 | 0 | 0 | 107.3 | K420 T421 P435 N438 Y457 H458 E465 | K420-V433 WeakPolarHBondContact CA-O 3.43Å; K420-V433 VanDerWaalsContact CB-O 3.28Å; K420-V433 WeakPolarHBondContact CB-O 3.37Å; T421-V433 PolarHBondContact N-O 3.05Å; T421-V433 PolarHBondContact OG1-N 3.36Å; T421-V433 PolarHBondContact OG1-O 3.37Å; V433-P435 WeakPolarHBondContact O-CD 3.47Å; V433-N438 HydrophobicContact CG1-CB 3.98Å; V433-Y457 HydrophobicContact CB-CD1 4.42Å; V433-Y457 WeakPolarHBondContact CG1-O 3.39Å; V433-Y457 HydrophobicContact CG2-CD1 3.82Å; V433-Y457 HydrophobicContact CG2-CE1 3.77Å; V433-H458 WeakPolarHBondContact CG1-O 3.2Å; V433-E465 VanDerWaalsContact CB-CD 3.42Å; V433-E465 HydrophobicContact CB-CG 3.65Å; V433-E465 HydrophobicContact CG1-CG 3.78Å; V433-E465 VanDerWaalsContact CG2-CD 3.46Å; V433-E465 HydrophobicContact CG2-CG 4.18Å; V433-E465 WeakPolarHBondContact CG2-OE1 3.37Å | ||
| 434 | D | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -68.8 | 109.5 | 167.4 | -175 | -33.3 | 0 | 0 | 0 | 108.2 | H361 R419 N436 R437 N438 E455 Y457 | H361-D434 IonicContact CD2-OD1 3.75Å; H361-D434 IonicContact NE2-OD1 3.83Å; H361-D434 PolarHBondContact NE2-OD1 3.43Å; H361-D434 VanDerWaalsContact NE2-OD1 3.08Å; H361-D434 IonicContact NE2-OD2 3.26Å; R419-D434 IonicContact CZ-OD2 3.89Å; R419-D434 IonicContact NE-OD2 3.45Å; R419-D434 PolarHBondContact NE-OD2 2.9Å; R419-D434 VanDerWaalsContact NE-OD2 3.09Å; R419-D434 IonicContact NH2-OD1 3.28Å; R419-D434 IonicContact NH2-OD2 3.45Å; R419-D434 PolarHBondContact NH2-OD2 3.37Å; D434-N436 PolarHBondContact O-N 3.04Å; D434-N436 VanDerWaalsContact O-N 3.17Å; D434-N436 WeakPolarHBondContact OD1-CA 3.25Å; D434-N436 PolarHBondContact OD1-N 2.9Å; D434-R437 HydrophobicContact CB-CB 4.02Å; D434-R437 HydrophobicContact CB-CG 3.82Å; D434-R437 PolarHBondContact O-N 2.75Å; D434-R437 PolarHBondContact OD1-N 2.86Å; D434-N438 PolarHBondContact O-N 2.84Å; D434-E455 WeakPolarHBondContact CB-O 3.27Å; D434-Y457 PolarHBondContact N-O 3.33Å | ||
| 435 | P | 98.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19 | -176.1 | 26.8 | -32.6 | 0 | 0 | 0 | 112.8 | I360 T421 V433 W439 V468 | I360-P435 HydrophobicContact CD1-CB 4.17Å; I360-P435 HydrophobicContact CG1-CB 3.72Å; I360-P435 HydrophobicContact CG1-CG 3.76Å; I360-P435 WeakPolarHBondContact O-CG 3.46Å; T421-P435 HydrophobicContact CG2-CB 4.04Å; T421-P435 HydrophobicContact CG2-CG 4.3Å; V433-P435 WeakPolarHBondContact O-CD 3.47Å; P435-W439 VanDerWaalsContact O-CD1 3.23Å; P435-W439 PolarHBondContact O-NE1 2.95Å; P435-V468 HydrophobicContact CB-CG2 4.01Å; P435-V468 WeakPolarHBondContact O-CG2 3.23Å |
| 436 | N | 98.6 | Very high | 91.6 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 21.5 | 173.4 | -160 | 16.4 | 0 | 0 | 0 | 112.8 | H361 D434 H488 G544 S545 T546 | H361-N436 WeakPolarHBondContact NE2-CB 3.44Å; D434-N436 PolarHBondContact O-N 3.04Å; D434-N436 VanDerWaalsContact O-N 3.17Å; D434-N436 WeakPolarHBondContact OD1-CA 3.25Å; D434-N436 PolarHBondContact OD1-N 2.9Å; N436-H488 PolarHBondContact ND2-NE2 3.42Å; N436-H488 VanDerWaalsContact ND2-NE2 3.1Å; N436-G544 CarbonylContact C-O 3.57Å; N436-S545 VanDerWaalsContact OD1-CA 3.25Å; N436-S545 WeakPolarHBondContact OD1-CA 3.31Å; N436-S545 WeakPolarHBondContact OD1-CB 3.2Å; N436-T546 PolarHBondContact OD1-N 3.13Å; N436-T546 PolarHBondContact OD1-OG1 2.86Å |
| 437 | R | 98.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -123.2 | -0.9 | 162.6 | -61 | -61.4 | -176.6 | -83.9 | -4.5 | 112.8 | D434 G447 A448 H458 Y540 S543 G544 | D434-R437 HydrophobicContact CB-CB 4.02Å; D434-R437 HydrophobicContact CB-CG 3.82Å; D434-R437 PolarHBondContact O-N 2.75Å; D434-R437 PolarHBondContact OD1-N 2.86Å; R437-G447 PolarHBondContact NE-O 3.43Å; R437-A448 HydrophobicContact CB-CB 4.12Å; R437-A448 HydrophobicContact CG-CB 4.07Å; R437-H458 HydrophobicContact CB-CB 4.05Å; R437-Y540 PolarHBondContact NH2-OH 3.36Å; R437-S543 WeakPolarHBondContact CD-O 3.43Å; R437-G544 CarbonylContact C-O 3.54Å; R437-G544 WeakPolarHBondContact CA-O 3.31Å; R437-G544 PolarHBondContact N-O 3.36Å |
| 438 | N | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -95.3 | 2.1 | -171.6 | -163.4 | -115.5 | 0 | 0 | 0 | 113.9 | V433 D434 H458 S461 A462 H463 S464 E465 V468 G544 | V433-N438 HydrophobicContact CG1-CB 3.98Å; D434-N438 PolarHBondContact O-N 2.84Å; N438-H458 PolarHBondContact ND2-O 3.34Å; N438-S461 PolarHBondContact ND2-O 3.23Å; N438-S461 VanDerWaalsContact ND2-O 3.11Å; N438-A462 CarbonylContact O-C 3.58Å; N438-A462 WeakPolarHBondContact O-CA 3.49Å; N438-H463 PolarHBondContact O-N 2.64Å; N438-H463 VanDerWaalsContact OD1-CA 3.24Å; N438-H463 WeakPolarHBondContact OD1-CA 3.12Å; N438-H463 PolarHBondContact OD1-N 3.32Å; N438-S464 PolarHBondContact ND2-OG 3.17Å; N438-S464 PolarHBondContact OD1-N 3.32Å; N438-E465 HydrophobicContact CB-CG 4.35Å; N438-E465 PolarHBondContact OD1-N 3.45Å; N438-E465 VanDerWaalsContact OD1-N 3.11Å; N438-V468 HydrophobicContact CB-CG2 4.34Å; N438-G544 PolarHBondContact N-O 3.45Å | ||
| 439 | W | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -83.9 | 150.8 | -177.5 | -58.9 | 76.6 | 0 | 0 | 0 | 112.1 | I360 P435 A441 V468 I471 V472 G544 T546 W549 | I360-W439 HydrophobicContact CD1-CZ2 4.25Å; P435-W439 VanDerWaalsContact O-CD1 3.23Å; P435-W439 PolarHBondContact O-NE1 2.95Å; W439-A441 PolarHBondContact O-N 3.26Å; W439-V468 HydrophobicContact CD2-CG1 3.72Å; W439-V468 HydrophobicContact CE3-CG1 4.06Å; W439-V468 HydrophobicContact CG-CG1 4.17Å; W439-V468 HydrophobicContact CH2-CG1 4.33Å; W439-V468 HydrophobicContact CZ2-CG1 3.99Å; W439-V468 HydrophobicContact CZ2-CG2 4.41Å; W439-V468 HydrophobicContact CZ3-CG1 4.35Å; W439-I471 HydrophobicContact CH2-CB 3.86Å; W439-I471 HydrophobicContact CH2-CD1 4.12Å; W439-I471 HydrophobicContact CH2-CG2 3.76Å; W439-I471 HydrophobicContact CZ2-CD1 4.27Å; W439-I471 HydrophobicContact CZ3-CG2 4.4Å; W439-V472 HydrophobicContact CE3-CG2 3.85Å; W439-V472 HydrophobicContact CZ3-CG2 3.64Å; W439-G544 WeakPolarHBondContact CB-O 3.47Å; W439-G544 VanDerWaalsContact CD1-O 3.25Å; W439-G544 PolarHBondContact N-O 3.43Å; W439-G544 VanDerWaalsContact O-CA 3.25Å; W439-G544 WeakPolarHBondContact O-CA 3.27Å; W439-T546 HydrophobicContact CD2-CG2 4.42Å; W439-T546 VanDerWaalsContact CE2-OG1 3.28Å; W439-T546 HydrophobicContact CH2-CG2 3.81Å; W439-T546 HydrophobicContact CZ2-CG2 3.56Å; W439-T546 HydrophobicContact CZ3-CG2 4.35Å; W439-T546 PolarHBondContact NE1-OG1 3.3Å; W439-W549 HydrophobicContact CB-CB 3.88Å; W439-W549 HydrophobicContact CB-CG 4.34Å; W439-W549 HydrophobicContact CE3-CB 4.11Å; W439-W549 AromaticContact CE3-CD2 3.67Å; W439-W549 HydrophobicContact CE3-CD2 3.67Å; W439-W549 AromaticContact CE3-CE3 3.43Å; W439-W549 HydrophobicContact CE3-CE3 3.43Å; W439-W549 VanDerWaalsContact CE3-CE3 3.43Å; W439-W549 AromaticContact CE3-CG 3.96Å; W439-W549 HydrophobicContact CE3-CG 3.96Å; W439-W549 HydrophobicContact CE3-CZ3 4.16Å; W439-W549 HydrophobicContact CZ3-CD2 4.08Å; W439-W549 AromaticContact CZ3-CE3 3.39Å; W439-W549 HydrophobicContact CZ3-CE3 3.39Å; W439-W549 AromaticContact CZ3-CZ3 3.68Å; W439-W549 HydrophobicContact CZ3-CZ3 3.68Å |
| 440 | N | 98.6 | Very high | 93.3 | Very high | 92 Ų | 92 | 30.6 Ų | 30.6 | 49% | 0.492 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -80.2 | 56.2 | -179.6 | -169 | 47.2 | 0 | 0 | 0 | 113 | A462 H463 | N440-A462 HydrophobicContact CB-CB 3.71Å; N440-H463 WeakPolarHBondContact CB-CE1 3.42Å; N440-H463 WeakPolarHBondContact CB-NE2 3.18Å; N440-H463 PolarHBondContact N-NE2 3.45Å |
| 441 | A | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -135.3 | 100.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | W439 F443 Y500 G544 D548 W549 | W439-A441 PolarHBondContact O-N 3.26Å; A441-F443 PolarHBondContact O-N 2.98Å; A441-Y500 HydrophobicContact CB-CE1 4.48Å; A441-G544 WeakPolarHBondContact O-CA 3.45Å; A441-G544 PolarHBondContact O-N 3Å; A441-D548 HydrophobicContact CB-CB 3.68Å; A441-W549 HydrophobicContact CB-CB 3.84Å |
| 442 | G | 97.5 | Very high | 93.6 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 61.5 | 23.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G444 L445 S543 | G442-G444 PolarHBondContact O-N 2.67Å; G442-L445 WeakPolarHBondContact O-CB 3.39Å; G442-L445 WeakPolarHBondContact O-CG 3.33Å; G442-L445 PolarHBondContact O-N 3.04Å; G442-S543 VanDerWaalsContact O-CB 3.28Å; G442-S543 WeakPolarHBondContact O-CB 3.4Å |
| 443 | F | 98.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 32.3 Ų | 32.3 | 24% | 0.237 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 128.9 | -176.2 | 179.6 | -93 | 0 | 0 | 0 | 113 | A441 L445 H458 S461 A462 | A441-F443 PolarHBondContact O-N 2.98Å; F443-L445 PolarHBondContact O-N 2.96Å; F443-H458 HydrophobicContact CE2-CB 3.99Å; F443-H458 WeakPolarHBondContact CE2-O 3.49Å; F443-H458 HydrophobicContact CZ-CB 4.23Å; F443-H458 AromaticContact CZ-ND1 3.67Å; F443-S461 VanDerWaalsContact CE2-C 3.49Å; F443-S461 VanDerWaalsContact CZ-CA 3.48Å; F443-A462 HydrophobicContact CB-CB 4.09Å; F443-A462 HydrophobicContact CD1-CB 4.3Å; F443-A462 HydrophobicContact CD2-CB 3.68Å; F443-A462 HydrophobicContact CE2-CB 4.17Å; F443-A462 HydrophobicContact CG-CB 3.75Å; F443-A462 VanDerWaalsContact CZ-N 3.28Å |
| 444 | G | 91.6 | Very high | 92.4 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 1.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | G442 | G442-G444 PolarHBondContact O-N 2.67Š|
| 445 | L | 92.9 | Very high | 91.7 | Very high | 85 Ų | 85 | 36.2 Ų | 36.2 | 45% | 0.445 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -73.4 | 172.1 | 169.7 | -64.5 | -176.2 | 0 | 0 | 0 | 111.3 | G442 F443 Y500 S543 | G442-L445 WeakPolarHBondContact O-CB 3.39Å; G442-L445 WeakPolarHBondContact O-CG 3.33Å; G442-L445 PolarHBondContact O-N 3.04Å; F443-L445 PolarHBondContact O-N 2.96Å; L445-Y500 HydrophobicContact CD1-CD2 4.05Å; L445-S543 WeakPolarHBondContact O-CB 3.37Å; L445-S543 PolarHBondContact O-OG 2.8Å |
| 446 | P | 88.1 | Confident | 91.2 | Very high | 80 Ų | 80 | 38 Ų | 38 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 144.6 | 177.7 | -28.8 | 37.2 | 0 | 0 | 0 | 113.2 | S543 | P446-S543 WeakPolarHBondContact O-CB 3.29Š|
| 447 | G | 82.7 | Confident | 90.9 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 31% | 0.309 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 104.1 | 0.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R437 Q541 | R437-G447 PolarHBondContact NE-O 3.43Å; G447-Q541 WeakPolarHBondContact CA-O 3.38Å |
| 448 | A | 87 | Confident | 90.8 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 17% | 0.174 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -136.1 | 159.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | R437 H458 S543 | R437-A448 HydrophobicContact CB-CB 4.12Å; R437-A448 HydrophobicContact CG-CB 4.07Å; A448-H458 HydrophobicContact CB-CB 3.88Å; A448-S543 WeakPolarHBondContact CB-OG 3.41Å |
| 449 | S | 86.5 | Confident | 90.7 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -101.6 | 144.1 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | Y451 S454 T456 Y457 H458 | S449-Y451 WeakPolarHBondContact OG-CB 3.34Å; S449-Y451 PolarHBondContact OG-N 2.97Å; S449-Y451 VanDerWaalsContact OG-N 3.11Å; S449-S454 VanDerWaalsContact CB-CB 3.46Å; S449-S454 VanDerWaalsContact CB-OG 3.29Å; S449-S454 WeakPolarHBondContact CB-OG 3.32Å; S449-S454 WeakPolarHBondContact OG-CB 3.26Å; S449-T456 PolarHBondContact N-O 3.1Å; S449-Y457 CarbonylContact O-C 3.58Å; S449-Y457 VanDerWaalsContact O-CA 3.27Å; S449-Y457 WeakPolarHBondContact O-CA 3.14Å; S449-Y457 WeakPolarHBondContact O-CD2 3.46Å; S449-H458 VanDerWaalsContact C-CD2 3.42Å; S449-H458 PolarHBondContact O-CD2 3.46Å; S449-H458 PolarHBondContact O-N 3.49Å; S449-H458 PolarHBondContact O-NE2 3.33Å |
| 450 | S | 89.6 | Confident | 90.6 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 64% | 0.643 | 27% | 0.266 | S | S | * | . | trans | -89.9 | -6.4 | 169.3 | 60.7 | 0 | 0 | 0 | 0 | 113 | P452 Y457 H458 | S450-P452 WeakPolarHBondContact O-CD 3.25Å; S450-Y457 WeakPolarHBondContact O-CE2 3.48Å; S450-H458 VanDerWaalsContact CA-NE2 3.28Å; S450-H458 WeakPolarHBondContact CA-NE2 3.43Å; S450-H458 WeakPolarHBondContact CB-NE2 3.36Å | ||
| 451 | Y | 87.3 | Confident | 90.6 | Very high | 99 Ų | 99 | 42.1 Ų | 42.1 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -83.1 | 118.5 | -179.8 | -178.6 | -129.5 | 0 | 0 | 0 | 111 | Y428 S449 C453 S454 Y457 | Y428-Y451 HydrophobicContact CD1-CE2 4.37Å; Y428-Y451 HydrophobicContact CE1-CD2 4.3Å; Y428-Y451 AromaticContact CE1-CE2 3.89Å; Y428-Y451 HydrophobicContact CE1-CE2 3.89Å; S449-Y451 WeakPolarHBondContact OG-CB 3.34Å; S449-Y451 PolarHBondContact OG-N 2.97Å; S449-Y451 VanDerWaalsContact OG-N 3.11Å; Y451-C453 HydrophobicContact CD1-CB 4.04Å; Y451-C453 HydrophobicContact CE1-CB 3.47Å; Y451-C453 VanDerWaalsContact CE1-CB 3.47Å; Y451-C453 HydrophobicContact CE2-CB 4.48Å; Y451-C453 PolarHBondContact O-N 3.14Å; Y451-C453 VanDerWaalsContact O-N 3.1Å; Y451-S454 WeakPolarHBondContact O-CB 3.43Å; Y451-S454 PolarHBondContact O-N 3.21Å; Y451-Y457 WeakPolarHBondContact O-CB 3.03Å |
| 452 | P | 86.8 | Confident | 90.6 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.3 | -171.4 | -30.4 | 40.2 | 0 | 0 | 0 | 116.6 | K420 N425 Y428 S450 S454 Y457 | K420-P452 PolarHBondContact NZ-O 3.29Å; K420-P452 VanDerWaalsContact NZ-O 3.17Å; N425-P452 HydrophobicContact CB-CB 3.9Å; Y428-P452 HydrophobicContact CD1-CB 4.28Å; Y428-P452 HydrophobicContact CD1-CG 4.3Å; Y428-P452 HydrophobicContact CD2-CB 3.98Å; Y428-P452 HydrophobicContact CD2-CG 3.69Å; Y428-P452 HydrophobicContact CE1-CG 4.21Å; Y428-P452 HydrophobicContact CE2-CB 4.37Å; Y428-P452 HydrophobicContact CE2-CG 3.6Å; Y428-P452 HydrophobicContact CG-CB 3.93Å; Y428-P452 HydrophobicContact CG-CG 4.05Å; S450-P452 WeakPolarHBondContact O-CD 3.25Å; P452-S454 VanDerWaalsContact C-N 3.34Å; P452-Y457 HydrophobicContact CB-CD1 4.22Å; P452-Y457 HydrophobicContact CB-CE1 3.99Å; P452-Y457 HydrophobicContact CB-CE2 4.44Å; P452-Y457 HydrophobicContact CG-CE1 4.26Å; P452-Y457 HydrophobicContact CG-CE2 4.02Å |
| 453 | C | 80.9 | Confident | 90.6 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.6 | 175.9 | -63 | 0 | 0 | 0 | 0 | 113.6 | C430 Y451 | C430-C453 HydrophobicContact CB-CB 3.7Å; C430-C453 WeakPolarHBondContact CB-SG 3.47Å; C430-C453 VanDerWaalsContact SG-CA 3.56Å; C430-C453 WeakPolarHBondContact SG-CB 3.46Å; C430-C453 CovalentContact SG-SG 2.03Å; C430-C453 PolarHBondContact SG-SG 2.99Å; Y451-C453 HydrophobicContact CD1-CB 4.04Å; Y451-C453 HydrophobicContact CE1-CB 3.47Å; Y451-C453 VanDerWaalsContact CE1-CB 3.47Å; Y451-C453 HydrophobicContact CE2-CB 4.48Å; Y451-C453 PolarHBondContact O-N 3.14Å; Y451-C453 VanDerWaalsContact O-N 3.1Å |
| 454 | S | 83.5 | Confident | 90.7 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -68.3 | 145.6 | 176.8 | -174 | 0 | 0 | 0 | 0 | 111.6 | K420 S449 Y451 P452 T456 Y457 | K420-S454 WeakPolarHBondContact CD-O 3.45Å; K420-S454 PolarHBondContact NZ-O 3.05Å; S449-S454 VanDerWaalsContact CB-CB 3.46Å; S449-S454 VanDerWaalsContact CB-OG 3.29Å; S449-S454 WeakPolarHBondContact CB-OG 3.32Å; S449-S454 WeakPolarHBondContact OG-CB 3.26Å; Y451-S454 WeakPolarHBondContact O-CB 3.43Å; Y451-S454 PolarHBondContact O-N 3.21Å; P452-S454 VanDerWaalsContact C-N 3.34Å; S454-T456 PolarHBondContact O-N 2.81Å; S454-T456 PolarHBondContact OG-N 3.34Å; S454-T456 PolarHBondContact OG-OG1 3Å; S454-Y457 WeakPolarHBondContact O-CB 3.14Å; S454-Y457 PolarHBondContact O-N 3.3Å |
| 455 | E | 83.4 | Confident | 91 | Very high | 58 Ų | 58 | 40.5 Ų | 40.5 | 27% | 0.271 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -20.6 | 171 | -70.3 | -53.8 | 113.1 | 0 | 0 | 113.2 | R419 D434 | R419-E455 WeakPolarHBondContact CB-OE2 3.46Å; D434-E455 WeakPolarHBondContact CB-O 3.27Å |
| 456 | T | 86.6 | Confident | 91.3 | Very high | 39 Ų | 39 | 38 Ų | 38 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 24.1 | 177.6 | 59 | 0 | 0 | 0 | 0 | 112.3 | S449 S454 H458 | S449-T456 PolarHBondContact N-O 3.1Å; S454-T456 PolarHBondContact O-N 2.81Å; S454-T456 PolarHBondContact OG-N 3.34Å; S454-T456 PolarHBondContact OG-OG1 3Å; T456-H458 PolarHBondContact O-N 2.86Å |
| 457 | Y | 93.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 34.3 Ų | 34.3 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -59.5 | 120.9 | 178 | 176 | -132.4 | 0 | 0 | 0 | 111 | N425 V433 D434 S449 S450 Y451 P452 S454 G459 | N425-Y457 WeakPolarHBondContact OD1-CE1 3.44Å; V433-Y457 HydrophobicContact CB-CD1 4.42Å; V433-Y457 WeakPolarHBondContact CG1-O 3.39Å; V433-Y457 HydrophobicContact CG2-CD1 3.82Å; V433-Y457 HydrophobicContact CG2-CE1 3.77Å; D434-Y457 PolarHBondContact N-O 3.33Å; S449-Y457 CarbonylContact O-C 3.58Å; S449-Y457 VanDerWaalsContact O-CA 3.27Å; S449-Y457 WeakPolarHBondContact O-CA 3.14Å; S449-Y457 WeakPolarHBondContact O-CD2 3.46Å; S450-Y457 WeakPolarHBondContact O-CE2 3.48Å; Y451-Y457 WeakPolarHBondContact O-CB 3.03Å; P452-Y457 HydrophobicContact CB-CD1 4.22Å; P452-Y457 HydrophobicContact CB-CE1 3.99Å; P452-Y457 HydrophobicContact CB-CE2 4.44Å; P452-Y457 HydrophobicContact CG-CE1 4.26Å; P452-Y457 HydrophobicContact CG-CE2 4.02Å; S454-Y457 WeakPolarHBondContact O-CB 3.14Å; S454-Y457 PolarHBondContact O-N 3.3Å; Y457-G459 VanDerWaalsContact C-N 3.29Å; Y457-G459 VanDerWaalsContact CE1-CA 3.48Å; Y457-G459 PolarHBondContact O-N 3.27Å |
| 458 | H | 95.6 | Very high | 92.5 | Very high | 26 Ų | 26 | 33 Ų | 33 | 12% | 0.12 | 20% | 0.198 | C | C | . | . | trans | -75.9 | -12.2 | -177.3 | 51.8 | 65.4 | 0 | 0 | 0 | 114.4 | V433 R437 N438 F443 A448 S449 S450 T456 | V433-H458 WeakPolarHBondContact CG1-O 3.2Å; R437-H458 HydrophobicContact CB-CB 4.05Å; N438-H458 PolarHBondContact ND2-O 3.34Å; F443-H458 HydrophobicContact CE2-CB 3.99Å; F443-H458 WeakPolarHBondContact CE2-O 3.49Å; F443-H458 HydrophobicContact CZ-CB 4.23Å; F443-H458 AromaticContact CZ-ND1 3.67Å; A448-H458 HydrophobicContact CB-CB 3.88Å; S449-H458 VanDerWaalsContact C-CD2 3.42Å; S449-H458 PolarHBondContact O-CD2 3.46Å; S449-H458 PolarHBondContact O-N 3.49Å; S449-H458 PolarHBondContact O-NE2 3.33Å; S450-H458 VanDerWaalsContact CA-NE2 3.28Å; S450-H458 WeakPolarHBondContact CA-NE2 3.43Å; S450-H458 WeakPolarHBondContact CB-NE2 3.36Å; T456-H458 PolarHBondContact O-N 2.86Å | ||
| 459 | G | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | 89.6 | 172.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y457 S461 | Y457-G459 VanDerWaalsContact C-N 3.29Å; Y457-G459 VanDerWaalsContact CE1-CA 3.48Å; Y457-G459 PolarHBondContact O-N 3.27Å; G459-S461 VanDerWaalsContact C-N 3.31Å; G459-S461 PolarHBondContact O-N 2.89Å | ||
| 460 | P | 96.8 | Very high | 93.7 | Very high | 93 Ų | 93 | 36.4 Ų | 36.4 | 60% | 0.604 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -71.4 | -23.5 | -176 | 27.7 | -36.2 | 0 | 0 | 0 | 113.8 | ||
| 461 | S | 98.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 32 Ų | 32 | 42% | 0.42 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -161.5 | 158.6 | 179.2 | 61.5 | 0 | 0 | 0 | 0 | 110 | N438 F443 G459 H463 S464 | N438-S461 PolarHBondContact ND2-O 3.23Å; N438-S461 VanDerWaalsContact ND2-O 3.11Å; F443-S461 VanDerWaalsContact CE2-C 3.49Å; F443-S461 VanDerWaalsContact CZ-CA 3.48Å; G459-S461 VanDerWaalsContact C-N 3.31Å; G459-S461 PolarHBondContact O-N 2.89Å; S461-H463 PolarHBondContact O-N 3.02Å; S461-S464 VanDerWaalsContact O-CB 3.26Å; S461-S464 WeakPolarHBondContact O-CB 3.33Å; S461-S464 PolarHBondContact O-N 3.45Å; S461-S464 PolarHBondContact O-OG 3.28Å |
| 462 | A | 98.6 | Very high | 94.7 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 21% | 0.207 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 139.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | N438 N440 F443 S464 | N438-A462 CarbonylContact O-C 3.58Å; N438-A462 WeakPolarHBondContact O-CA 3.49Å; N440-A462 HydrophobicContact CB-CB 3.71Å; F443-A462 HydrophobicContact CB-CB 4.09Å; F443-A462 HydrophobicContact CD1-CB 4.3Å; F443-A462 HydrophobicContact CD2-CB 3.68Å; F443-A462 HydrophobicContact CE2-CB 4.17Å; F443-A462 HydrophobicContact CG-CB 3.75Å; F443-A462 VanDerWaalsContact CZ-N 3.28Å; A462-S464 PolarHBondContact O-N 2.8Å |
| 463 | H | 98.4 | Very high | 95.2 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 15% | 0.148 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 31.7 | -177 | -39 | 140.8 | 0 | 0 | 0 | 113.7 | N438 N440 S461 E465 K469 W549 | N438-H463 PolarHBondContact O-N 2.64Å; N438-H463 VanDerWaalsContact OD1-CA 3.24Å; N438-H463 WeakPolarHBondContact OD1-CA 3.12Å; N438-H463 PolarHBondContact OD1-N 3.32Å; N440-H463 WeakPolarHBondContact CB-CE1 3.42Å; N440-H463 WeakPolarHBondContact CB-NE2 3.18Å; N440-H463 PolarHBondContact N-NE2 3.45Å; S461-H463 PolarHBondContact O-N 3.02Å; H463-E465 PolarHBondContact O-N 2.69Å; H463-K469 HydrophobicContact CB-CD 3.99Å; H463-W549 AromaticContact CE1-NE1 3.91Å; H463-W549 AromaticContact NE2-NE1 3.8Å |
| 464 | S | 98.6 | Very high | 96.1 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | trans | -69.2 | -23.3 | 174.7 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | K423 N438 S461 A462 | K423-S464 PolarHBondContact NZ-O 3.48Å; N438-S464 PolarHBondContact ND2-OG 3.17Å; N438-S464 PolarHBondContact OD1-N 3.32Å; S461-S464 VanDerWaalsContact O-CB 3.26Å; S461-S464 WeakPolarHBondContact O-CB 3.33Å; S461-S464 PolarHBondContact O-N 3.45Å; S461-S464 PolarHBondContact O-OG 3.28Å; A462-S464 PolarHBondContact O-N 2.8Å | ||
| 465 | E | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -88.1 | 129.9 | -178.9 | -55.6 | -47.6 | 93.3 | 0 | 0 | 110.1 | T421 K423 V433 N438 H463 E467 V468 K469 | T421-E465 WeakPolarHBondContact CB-OE2 3.35Å; T421-E465 HydrophobicContact CG2-CB 4.22Å; T421-E465 HydrophobicContact CG2-CG 4.04Å; T421-E465 PolarHBondContact OG1-OE2 2.84Å; K423-E465 IonicContact NZ-OE1 2.81Å; V433-E465 VanDerWaalsContact CB-CD 3.42Å; V433-E465 HydrophobicContact CB-CG 3.65Å; V433-E465 HydrophobicContact CG1-CG 3.78Å; V433-E465 VanDerWaalsContact CG2-CD 3.46Å; V433-E465 HydrophobicContact CG2-CG 4.18Å; V433-E465 WeakPolarHBondContact CG2-OE1 3.37Å; N438-E465 HydrophobicContact CB-CG 4.35Å; N438-E465 PolarHBondContact OD1-N 3.45Å; N438-E465 VanDerWaalsContact OD1-N 3.11Å; H463-E465 PolarHBondContact O-N 2.69Å; E465-E467 PolarHBondContact O-N 3.38Å; E465-V468 HydrophobicContact CB-CB 4.33Å; E465-V468 HydrophobicContact CB-CG2 4.21Å; E465-V468 PolarHBondContact O-N 2.83Å; E465-K469 VanDerWaalsContact O-CB 3.29Å; E465-K469 WeakPolarHBondContact O-CB 3.26Å; E465-K469 PolarHBondContact O-N 2.76Å |
| 466 | S | 98.4 | Very high | 97.5 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.5 | -39.3 | -178.9 | 27.4 | 0 | 0 | 0 | 0 | 112.4 | Q332 Y334 K469 S470 | Q332-S466 WeakPolarHBondContact O-CB 3.04Å; Y334-S466 PolarHBondContact N-OG 3.4Å; S466-K469 PolarHBondContact O-N 3.38Å; S466-S470 WeakPolarHBondContact O-CB 3.47Å; S466-S470 PolarHBondContact O-N 3.31Å; S466-S470 PolarHBondContact O-OG 3.38Å |
| 467 | E | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.4 | -51.9 | 178.3 | -62.2 | 78.9 | 179.7 | 0 | 0 | 110.3 | S333 Y334 L339 E465 I471 | S333-E467 WeakPolarHBondContact CA-OE1 2.95Å; S333-E467 VanDerWaalsContact CB-OE1 3.24Å; S333-E467 WeakPolarHBondContact CB-OE1 3.45Å; Y334-E467 PolarHBondContact N-OE1 3.04Å; L339-E467 HydrophobicContact CD2-CG 4.25Å; E465-E467 PolarHBondContact O-N 3.38Å; E467-I471 PolarHBondContact O-N 3.25Å |
| 468 | V | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67 | -44.8 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | P435 N438 W439 E465 S470 I471 V472 | P435-V468 HydrophobicContact CB-CG2 4.01Å; P435-V468 WeakPolarHBondContact O-CG2 3.23Å; N438-V468 HydrophobicContact CB-CG2 4.34Å; W439-V468 HydrophobicContact CD2-CG1 3.72Å; W439-V468 HydrophobicContact CE3-CG1 4.06Å; W439-V468 HydrophobicContact CG-CG1 4.17Å; W439-V468 HydrophobicContact CH2-CG1 4.33Å; W439-V468 HydrophobicContact CZ2-CG1 3.99Å; W439-V468 HydrophobicContact CZ2-CG2 4.41Å; W439-V468 HydrophobicContact CZ3-CG1 4.35Å; E465-V468 HydrophobicContact CB-CB 4.33Å; E465-V468 HydrophobicContact CB-CG2 4.21Å; E465-V468 PolarHBondContact O-N 2.83Å; V468-S470 VanDerWaalsContact C-N 3.29Å; V468-S470 PolarHBondContact O-N 2.75Å; V468-I471 PolarHBondContact O-N 3.26Å; V468-V472 HydrophobicContact CG1-CG2 4.33Å; V468-V472 WeakPolarHBondContact O-CG2 3.3Å; V468-V472 PolarHBondContact O-N 2.82Å |
| 469 | K | 98.8 | Very high | 98.4 | Very high | 84 Ų | 84 | 37.4 Ų | 37.4 | 37% | 0.365 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.3 | -38.6 | -178.6 | -176.7 | 61.6 | 168.2 | 68.2 | 0 | 112 | H463 E465 S466 V472 D473 | H463-K469 HydrophobicContact CB-CD 3.99Å; E465-K469 VanDerWaalsContact O-CB 3.29Å; E465-K469 WeakPolarHBondContact O-CB 3.26Å; E465-K469 PolarHBondContact O-N 2.76Å; S466-K469 PolarHBondContact O-N 3.38Å; K469-V472 PolarHBondContact O-N 3Å; K469-D473 IonicContact NZ-OD1 3.29Å; K469-D473 PolarHBondContact NZ-OD1 2.61Å; K469-D473 IonicContact NZ-OD2 2.77Å; K469-D473 PolarHBondContact NZ-OD2 3.45Å; K469-D473 WeakPolarHBondContact O-CB 3.23Å; K469-D473 VanDerWaalsContact O-CG 3.25Å; K469-D473 PolarHBondContact O-N 3.22Å |
| 470 | S | 98.9 | Very high | 98.4 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.9 | -81 | 0 | 0 | 0 | 0 | 112.8 | I330 G331 S466 V468 D473 F474 | I330-S470 PolarHBondContact O-OG 3.34Å; G331-S470 WeakPolarHBondContact CA-OG 3.38Å; S466-S470 WeakPolarHBondContact O-CB 3.47Å; S466-S470 PolarHBondContact O-N 3.31Å; S466-S470 PolarHBondContact O-OG 3.38Å; V468-S470 VanDerWaalsContact C-N 3.29Å; V468-S470 PolarHBondContact O-N 2.75Å; S470-D473 PolarHBondContact O-N 3.19Å; S470-F474 WeakPolarHBondContact O-CB 3.37Å; S470-F474 PolarHBondContact O-N 2.96Å |
| 471 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 175.2 | -55.9 | 169.8 | 0 | 0 | 0 | 110.3 | I330 W355 E400 T403 W439 E467 V468 D473 F474 V475 F484 | I330-I471 HydrophobicContact CD1-CG1 4.06Å; W355-I471 HydrophobicContact CH2-CG1 4.33Å; W355-I471 HydrophobicContact CH2-CG2 4.21Å; W355-I471 HydrophobicContact CZ2-CB 4.47Å; W355-I471 HydrophobicContact CZ2-CD1 4.24Å; W355-I471 HydrophobicContact CZ2-CG1 3.97Å; W355-I471 HydrophobicContact CZ2-CG2 3.78Å; E400-I471 WeakPolarHBondContact OE2-CD1 3.36Å; T403-I471 HydrophobicContact CG2-CD1 3.67Å; W439-I471 HydrophobicContact CH2-CB 3.86Å; W439-I471 HydrophobicContact CH2-CD1 4.12Å; W439-I471 HydrophobicContact CH2-CG2 3.76Å; W439-I471 HydrophobicContact CZ2-CD1 4.27Å; W439-I471 HydrophobicContact CZ3-CG2 4.4Å; E467-I471 PolarHBondContact O-N 3.25Å; V468-I471 PolarHBondContact O-N 3.26Å; I471-D473 VanDerWaalsContact C-N 3.31Å; I471-D473 PolarHBondContact O-N 3.12Å; I471-F474 PolarHBondContact O-N 3.11Å; I471-V475 HydrophobicContact CG2-CG2 3.98Å; I471-V475 WeakPolarHBondContact O-CB 3.29Å; I471-V475 VanDerWaalsContact O-CG2 3.25Å; I471-V475 WeakPolarHBondContact O-CG2 3.35Å; I471-V475 PolarHBondContact O-N 3.33Å; I471-F484 HydrophobicContact CG2-CE2 3.97Å; I471-F484 HydrophobicContact CG2-CZ 4.01Å |
| 472 | V | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.2 | -46.3 | 176.5 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | W439 V468 K469 K476 W549 | W439-V472 HydrophobicContact CE3-CG2 3.85Å; W439-V472 HydrophobicContact CZ3-CG2 3.64Å; V468-V472 HydrophobicContact CG1-CG2 4.33Å; V468-V472 WeakPolarHBondContact O-CG2 3.3Å; V468-V472 PolarHBondContact O-N 2.82Å; K469-V472 PolarHBondContact O-N 3Å; V472-K476 HydrophobicContact CG1-CD 4.17Å; V472-K476 WeakPolarHBondContact O-CB 3.36Å; V472-K476 WeakPolarHBondContact O-CG 3.35Å; V472-K476 PolarHBondContact O-N 2.89Å; V472-W549 HydrophobicContact CB-CH2 4.11Å; V472-W549 HydrophobicContact CB-CZ2 4.17Å; V472-W549 HydrophobicContact CG1-CH2 4.1Å; V472-W549 HydrophobicContact CG1-CZ2 3.75Å; V472-W549 HydrophobicContact CG2-CH2 3.91Å; V472-W549 HydrophobicContact CG2-CZ2 3.87Å; V472-W549 HydrophobicContact CG2-CZ3 4.26Å |
| 473 | D | 98.8 | Very high | 98.5 | Very high | 73 Ų | 73 | 32.5 Ų | 32.5 | 39% | 0.39 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67.8 | -39.8 | 179 | -69.8 | -17.3 | 0 | 0 | 0 | 111.6 | K469 S470 I471 S477 | K469-D473 IonicContact NZ-OD1 3.29Å; K469-D473 PolarHBondContact NZ-OD1 2.61Å; K469-D473 IonicContact NZ-OD2 2.77Å; K469-D473 PolarHBondContact NZ-OD2 3.45Å; K469-D473 WeakPolarHBondContact O-CB 3.23Å; K469-D473 VanDerWaalsContact O-CG 3.25Å; K469-D473 PolarHBondContact O-N 3.22Å; S470-D473 PolarHBondContact O-N 3.19Å; I471-D473 VanDerWaalsContact C-N 3.31Å; I471-D473 PolarHBondContact O-N 3.12Å; D473-S477 VanDerWaalsContact O-CB 3.22Å; D473-S477 WeakPolarHBondContact O-CB 3.24Å; D473-S477 PolarHBondContact O-N 2.9Å; D473-S477 PolarHBondContact O-OG 2.77Å |
| 474 | F | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 31 Ų | 31 | 12% | 0.118 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -50.7 | 175.2 | -177.6 | -91 | 0 | 0 | 0 | 111.7 | I330 W355 F398 S470 I471 K476 S477 H478 I481 | I330-F474 HydrophobicContact CB-CD2 4.45Å; I330-F474 HydrophobicContact CG2-CB 4.39Å; I330-F474 HydrophobicContact CG2-CD2 3.54Å; I330-F474 HydrophobicContact CG2-CE2 4.09Å; I330-F474 HydrophobicContact CG2-CG 4.11Å; W355-F474 AromaticContact CE3-CD1 3.82Å; W355-F474 HydrophobicContact CE3-CD1 3.82Å; W355-F474 AromaticContact CE3-CE1 3.74Å; W355-F474 HydrophobicContact CE3-CE1 3.74Å; W355-F474 HydrophobicContact CH2-CD1 4.33Å; W355-F474 AromaticContact CZ3-CD1 3.37Å; W355-F474 HydrophobicContact CZ3-CD1 3.37Å; W355-F474 AromaticContact CZ3-CE1 3.52Å; W355-F474 HydrophobicContact CZ3-CE1 3.52Å; W355-F474 HydrophobicContact CZ3-CG 4.11Å; W355-F474 HydrophobicContact CZ3-CZ 4.35Å; F398-F474 HydrophobicContact CD1-CE1 4.3Å; F398-F474 AromaticContact CD1-CZ 3.73Å; F398-F474 HydrophobicContact CD1-CZ 3.73Å; F398-F474 HydrophobicContact CD2-CE1 4.22Å; F398-F474 HydrophobicContact CD2-CZ 4.24Å; F398-F474 HydrophobicContact CE1-CE1 4.44Å; F398-F474 HydrophobicContact CE1-CE2 4.38Å; F398-F474 AromaticContact CE1-CZ 3.56Å; F398-F474 HydrophobicContact CE1-CZ 3.56Å; F398-F474 HydrophobicContact CE2-CE1 4.36Å; F398-F474 HydrophobicContact CE2-CZ 4.1Å; F398-F474 HydrophobicContact CG-CE1 4.19Å; F398-F474 HydrophobicContact CG-CZ 4.07Å; F398-F474 HydrophobicContact CZ-CE1 4.47Å; F398-F474 AromaticContact CZ-CZ 3.77Å; F398-F474 HydrophobicContact CZ-CZ 3.77Å; S470-F474 WeakPolarHBondContact O-CB 3.37Å; S470-F474 PolarHBondContact O-N 2.96Å; I471-F474 PolarHBondContact O-N 3.11Å; F474-K476 VanDerWaalsContact C-N 3.34Å; F474-K476 PolarHBondContact O-N 3.22Å; F474-S477 WeakPolarHBondContact CA-OG 3.33Å; F474-S477 PolarHBondContact O-N 3.36Å; F474-S477 PolarHBondContact O-OG 3.48Å; F474-H478 HydrophobicContact CE1-CB 4.39Å; F474-H478 VanDerWaalsContact O-CB 3.3Å; F474-H478 WeakPolarHBondContact O-CB 3.45Å; F474-H478 PolarHBondContact O-N 3.11Å; F474-I481 HydrophobicContact CD1-CD1 4.28Å; F474-I481 HydrophobicContact CE1-CD1 4.12Å |
| 475 | V | 98.6 | Very high | 98.6 | Very high | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | -179.2 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | I471 G479 I481 F484 W549 I555 | I471-V475 HydrophobicContact CG2-CG2 3.98Å; I471-V475 WeakPolarHBondContact O-CB 3.29Å; I471-V475 VanDerWaalsContact O-CG2 3.25Å; I471-V475 WeakPolarHBondContact O-CG2 3.35Å; I471-V475 PolarHBondContact O-N 3.33Å; V475-G479 PolarHBondContact O-N 3.28Å; V475-I481 HydrophobicContact CB-CD1 4.22Å; V475-I481 HydrophobicContact CG1-CD1 4.36Å; V475-I481 HydrophobicContact CG2-CD1 3.81Å; V475-F484 HydrophobicContact CG2-CD2 4.33Å; V475-F484 HydrophobicContact CG2-CE2 3.89Å; V475-W549 HydrophobicContact CB-CH2 4Å; V475-W549 HydrophobicContact CB-CZ3 4.14Å; V475-W549 HydrophobicContact CG1-CH2 3.88Å; V475-W549 HydrophobicContact CG1-CZ3 3.96Å; V475-W549 HydrophobicContact CG2-CZ3 4.29Å; V475-I555 HydrophobicContact CG1-CD1 3.72Å |
| 476 | K | 98.4 | Very high | 98.6 | Very high | 122 Ų | 122 | 30 Ų | 30 | 53% | 0.53 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 178.8 | -75.5 | -179.8 | 171.5 | 176.9 | 0 | 113 | V472 F474 | V472-K476 HydrophobicContact CG1-CD 4.17Å; V472-K476 WeakPolarHBondContact O-CB 3.36Å; V472-K476 WeakPolarHBondContact O-CG 3.35Å; V472-K476 PolarHBondContact O-N 2.89Å; F474-K476 VanDerWaalsContact C-N 3.34Å; F474-K476 PolarHBondContact O-N 3.22Å |
| 477 | S | 98.1 | Very high | 98.6 | Very high | 99 Ų | 99 | 28.4 Ų | 28.4 | 69% | 0.692 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -73.1 | -35.9 | 179.9 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | D473 F474 | D473-S477 VanDerWaalsContact O-CB 3.22Å; D473-S477 WeakPolarHBondContact O-CB 3.24Å; D473-S477 PolarHBondContact O-N 2.9Å; D473-S477 PolarHBondContact O-OG 2.77Å; F474-S477 WeakPolarHBondContact CA-OG 3.33Å; F474-S477 PolarHBondContact O-N 3.36Å; F474-S477 PolarHBondContact O-OG 3.48Å |
| 478 | H | 97.9 | Very high | 98.6 | Very high | 25 Ų | 25 | 28.3 Ų | 28.3 | 12% | 0.116 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.6 | -48.7 | 173.9 | -170.3 | -82.6 | 0 | 0 | 0 | 111.1 | N350 R351 F398 F474 N480 I481 | N350-H478 PolarHBondContact OD1-O 3.46Å; R351-H478 PolarHBondContact O-CE1 3.21Å; F398-H478 AromaticContact CE2-CD2 3.85Å; F398-H478 AromaticContact CE2-NE2 3.56Å; F398-H478 AromaticContact CZ-CD2 3.92Å; F398-H478 AromaticContact CZ-NE2 3.83Å; F474-H478 HydrophobicContact CE1-CB 4.39Å; F474-H478 VanDerWaalsContact O-CB 3.3Å; F474-H478 WeakPolarHBondContact O-CB 3.45Å; F474-H478 PolarHBondContact O-N 3.11Å; H478-N480 PolarHBondContact ND1-N 3.11Å; H478-N480 PolarHBondContact O-N 2.81Å; H478-I481 HydrophobicContact CB-CD1 4.41Å; H478-I481 HydrophobicContact CB-CG1 4.4Å |
| 479 | G | 97.2 | Very high | 98.3 | Very high | 63 Ų | 63 | 28.3 Ų | 28.3 | 65% | 0.649 | 16% | 0.163 | S | C | * | . | trans | 68.4 | -7.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | V475 | V475-G479 PolarHBondContact O-N 3.28Š| ||
| 480 | N | 98 | Very high | 98.2 | Very high | 32 Ų | 32 | 24.7 Ų | 24.7 | 17% | 0.171 | 15% | 0.147 | C | C | . | . | trans | -123.6 | 28.8 | -178.6 | -153.4 | 13.5 | 0 | 0 | 0 | 114.3 | N350 P352 A353 H478 K482 | N350-N480 PolarHBondContact O-ND2 3.26Å; N350-N480 WeakPolarHBondContact OD1-CB 3.24Å; P352-N480 CarbonylContact C-O 3.52Å; P352-N480 WeakPolarHBondContact CA-O 3.45Å; A353-N480 PolarHBondContact N-O 3.47Å; H478-N480 PolarHBondContact ND1-N 3.11Å; H478-N480 PolarHBondContact O-N 2.81Å; N480-K482 WeakPolarHBondContact OD1-CE 3.34Å; N480-K482 PolarHBondContact OD1-NZ 3.26Å | ||
| 481 | I | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.2 | 172.7 | -61 | 172.7 | 0 | 0 | 0 | 108.8 | A353 W355 F474 V475 H478 A483 I555 | A353-I481 HydrophobicContact CB-CG1 4.26Å; A353-I481 CarbonylContact O-C 3.6Å; A353-I481 WeakPolarHBondContact O-CA 3.17Å; W355-I481 HydrophobicContact CB-CG2 4.06Å; F474-I481 HydrophobicContact CD1-CD1 4.28Å; F474-I481 HydrophobicContact CE1-CD1 4.12Å; V475-I481 HydrophobicContact CB-CD1 4.22Å; V475-I481 HydrophobicContact CG1-CD1 4.36Å; V475-I481 HydrophobicContact CG2-CD1 3.81Å; H478-I481 HydrophobicContact CB-CD1 4.41Å; H478-I481 HydrophobicContact CB-CG1 4.4Å; I481-A483 VanDerWaalsContact CG2-O 3.23Å; I481-A483 WeakPolarHBondContact CG2-O 3.25Å; I481-I555 HydrophobicContact CB-CD1 4.03Å; I481-I555 HydrophobicContact CG2-CD1 3.94Å; I481-I555 HydrophobicContact CG2-CG2 4.28Å |
| 482 | K | 98.6 | Very high | 97.8 | Very high | 31 Ų | 31 | 25.8 Ų | 25.8 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -31.4 | -174.9 | -58.3 | -54 | -177.8 | -175 | 0 | 113.5 | P352 A353 M395 N480 I555 T596 Y601 | P352-K482 HydrophobicContact CB-CG 3.81Å; A353-K482 PolarHBondContact O-N 3.46Å; M395-K482 HydrophobicContact CE-CB 4Å; M395-K482 HydrophobicContact CE-CG 4.09Å; N480-K482 WeakPolarHBondContact OD1-CE 3.34Å; N480-K482 PolarHBondContact OD1-NZ 3.26Å; K482-I555 WeakPolarHBondContact O-CG2 3.22Å; K482-T596 HydrophobicContact CB-CG2 3.64Å; K482-Y601 WeakPolarHBondContact CD-O 3.33Å; K482-Y601 WeakPolarHBondContact CE-O 3.46Å; K482-Y601 PolarHBondContact NZ-O 2.97Å; K482-Y601 PolarHBondContact O-OH 3.29Å |
| 483 | A | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I354 W355 I481 Y557 T596 | I354-A483 HydrophobicContact CG1-CB 4.17Å; I354-A483 HydrophobicContact CG2-CB 4.29Å; W355-A483 PolarHBondContact N-O 2.99Å; I481-A483 VanDerWaalsContact CG2-O 3.23Å; I481-A483 WeakPolarHBondContact CG2-O 3.25Å; A483-Y557 CarbonylContact C-O 3.55Å; A483-Y557 VanDerWaalsContact CA-O 3.23Å; A483-Y557 WeakPolarHBondContact CA-O 3.4Å; A483-T596 HydrophobicContact CB-CG2 3.95Å |
| 484 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 119 | 177.5 | -165.4 | -67.3 | 0 | 0 | 0 | 109 | W355 D357 I471 V475 T546 T550 I555 Y557 S558 Y559 | W355-F484 HydrophobicContact CB-CD2 3.76Å; W355-F484 HydrophobicContact CB-CE2 4.16Å; W355-F484 HydrophobicContact CB-CG 4.21Å; W355-F484 AromaticContact CD1-CD1 3.79Å; W355-F484 AromaticContact CD1-CD2 3.5Å; W355-F484 AromaticContact CD1-CE1 3.48Å; W355-F484 VanDerWaalsContact CD1-CE1 3.48Å; W355-F484 AromaticContact CD1-CE2 3.2Å; W355-F484 AromaticContact CD1-CG 3.79Å; W355-F484 AromaticContact CD1-CZ 3.19Å; W355-F484 HydrophobicContact CD2-CE2 4.01Å; W355-F484 HydrophobicContact CD2-CZ 4.44Å; W355-F484 AromaticContact CE2-CE2 3.99Å; W355-F484 AromaticContact CE2-CZ 4Å; W355-F484 AromaticContact CG-CD2 3.65Å; W355-F484 HydrophobicContact CG-CD2 3.65Å; W355-F484 HydrophobicContact CG-CE1 4.5Å; W355-F484 AromaticContact CG-CE2 3.53Å; W355-F484 HydrophobicContact CG-CE2 3.53Å; W355-F484 HydrophobicContact CG-CG 4.22Å; W355-F484 AromaticContact CG-CZ 3.99Å; W355-F484 HydrophobicContact CG-CZ 3.99Å; W355-F484 AromaticContact NE1-CE1 3.71Å; W355-F484 AromaticContact NE1-CE2 3.49Å; W355-F484 AromaticContact NE1-CZ 3.17Å; W355-F484 WeakPolarHBondContact O-CA 3.36Å; D357-F484 WeakPolarHBondContact OD2-CE1 3.04Å; D357-F484 WeakPolarHBondContact OD2-CZ 3.2Å; I471-F484 HydrophobicContact CG2-CE2 3.97Å; I471-F484 HydrophobicContact CG2-CZ 4.01Å; V475-F484 HydrophobicContact CG2-CD2 4.33Å; V475-F484 HydrophobicContact CG2-CE2 3.89Å; F484-T546 HydrophobicContact CD1-CG2 4.15Å; F484-T546 HydrophobicContact CE1-CG2 3.29Å; F484-T546 HydrophobicContact CZ-CG2 3.67Å; F484-T550 HydrophobicContact CB-CG2 4.11Å; F484-T550 HydrophobicContact CD1-CG2 3.88Å; F484-T550 HydrophobicContact CD2-CG2 3.41Å; F484-T550 VanDerWaalsContact CD2-CG2 3.41Å; F484-T550 HydrophobicContact CE1-CG2 4.13Å; F484-T550 HydrophobicContact CE2-CG2 3.66Å; F484-T550 HydrophobicContact CG-CG2 3.53Å; F484-T550 HydrophobicContact CZ-CG2 4.01Å; F484-I555 HydrophobicContact CB-CG2 4.06Å; F484-I555 HydrophobicContact CD2-CD1 4.41Å; F484-Y557 PolarHBondContact N-O 3.32Å; F484-S558 CarbonylContact O-C 3.42Å; F484-S558 WeakPolarHBondContact O-CA 3.47Å; F484-Y559 PolarHBondContact O-N 3.23Å |
| 485 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 109 | -174.4 | -59 | 141.5 | 0 | 0 | 0 | 109.2 | I354 W355 I356 D357 I487 Y559 F561 L589 L592 | I354-I485 HydrophobicContact CG2-CD1 4.08Å; W355-I485 PolarHBondContact O-N 3.44Å; I356-I485 VanDerWaalsContact CA-O 3.31Å; I356-I485 WeakPolarHBondContact CA-O 3.08Å; I356-I485 HydrophobicContact CG1-CB 4.43Å; I356-I485 HydrophobicContact CG1-CD1 4.2Å; D357-I485 PolarHBondContact N-O 3.23Å; I485-I487 HydrophobicContact CG2-CD1 4.43Å; I485-I487 HydrophobicContact CG2-CG1 4Å; I485-Y559 VanDerWaalsContact CA-O 3.3Å; I485-Y559 WeakPolarHBondContact CA-O 3.35Å; I485-F561 HydrophobicContact CG2-CD2 3.75Å; I485-F561 HydrophobicContact CG2-CE2 3.84Å; I485-L589 HydrophobicContact CD1-CD2 4.11Å; I485-L589 HydrophobicContact CG2-CD2 3.77Å; I485-L592 HydrophobicContact CD1-CB 4.49Å; I485-L592 HydrophobicContact CD1-CD1 4.28Å; I485-L592 HydrophobicContact CG1-CD1 4.14Å |
| 486 | S | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.4 | 178.4 | -171.8 | 0 | 0 | 0 | 0 | 110.5 | D357 Y559 T560 F561 | D357-S486 WeakPolarHBondContact OD1-CA 3.48Å; D357-S486 WeakPolarHBondContact OD1-CB 3.39Å; D357-S486 PolarHBondContact OD1-OG 3.41Å; S486-Y559 PolarHBondContact N-O 3.43Å; S486-T560 WeakPolarHBondContact O-CA 3.45Å; S486-T560 WeakPolarHBondContact O-CB 3.27Å; S486-T560 PolarHBondContact O-OG1 3.09Å; S486-F561 PolarHBondContact O-N 3.14Å; S486-F561 VanDerWaalsContact O-N 3.1Å |
| 487 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.1 | -167.6 | -55.4 | 179.1 | 0 | 0 | 0 | 110.7 | I356 D357 T358 T367 F374 I485 F561 L563 L589 | I356-I487 HydrophobicContact CG2-CD1 3.73Å; I356-I487 HydrophobicContact CG2-CG1 4.39Å; D357-I487 WeakPolarHBondContact O-CB 3.49Å; D357-I487 PolarHBondContact O-N 3.18Å; T358-I487 HydrophobicContact CG2-CB 3.94Å; T358-I487 HydrophobicContact CG2-CD1 4.05Å; T358-I487 HydrophobicContact CG2-CG1 4.42Å; T358-I487 HydrophobicContact CG2-CG2 4.36Å; T367-I487 HydrophobicContact CG2-CG2 4.15Å; T367-I487 WeakPolarHBondContact CG2-O 3.11Å; F374-I487 HydrophobicContact CE2-CD1 3.85Å; I485-I487 HydrophobicContact CG2-CD1 4.43Å; I485-I487 HydrophobicContact CG2-CG1 4Å; I487-F561 HydrophobicContact CG1-CB 4.44Å; I487-F561 HydrophobicContact CG1-CD2 4.4Å; I487-F561 HydrophobicContact CG2-CB 4.13Å; I487-L563 HydrophobicContact CG2-CD1 3.61Å; I487-L563 HydrophobicContact CG2-CD2 4.08Å; I487-L563 HydrophobicContact CG2-CG 3.75Å; I487-L589 HydrophobicContact CD1-CD1 4.43Å; I487-L589 HydrophobicContact CD1-CD2 4.42Å |
| 488 | H | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 171.8 | 179.9 | -70.7 | -84 | 0 | 0 | 0 | 112.6 | I360 H361 E364 N436 T560 F561 E562 L563 | I360-H488 WeakPolarHBondContact CG2-CE1 3.29Å; H361-H488 AromaticContact CE1-CE1 3.18Å; H361-H488 PolarHBondContact CE1-CE1 3.04Å; H361-H488 AromaticContact CE1-ND1 3.52Å; H361-H488 AromaticContact ND1-CE1 3.25Å; H361-H488 PolarHBondContact ND1-CE1 2.96Å; H361-H488 VanDerWaalsContact ND1-CE1 3.25Å; H361-H488 AromaticContact ND1-ND1 3.13Å; H361-H488 PolarHBondContact ND1-ND1 2.92Å; H361-H488 VanDerWaalsContact ND1-ND1 3.13Å; E364-H488 IonicContact OE1-ND1 3.44Å; E364-H488 WeakPolarHBondContact OE2-CA 3.44Å; E364-H488 VanDerWaalsContact OE2-CB 3.24Å; E364-H488 WeakPolarHBondContact OE2-CB 3.42Å; E364-H488 IonicContact OE2-CG 2.76Å; E364-H488 IonicContact OE2-ND1 3.57Å; E364-H488 PolarHBondContact OE2-ND1 3.29Å; N436-H488 PolarHBondContact ND2-NE2 3.42Å; N436-H488 VanDerWaalsContact ND2-NE2 3.1Å; H488-T560 PolarHBondContact CD2-OG1 3.3Å; H488-F561 CarbonylContact C-O 3.01Å; H488-F561 VanDerWaalsContact CA-O 3.31Å; H488-F561 WeakPolarHBondContact CA-O 3.28Å; H488-F561 VanDerWaalsContact CB-O 3.23Å; H488-F561 WeakPolarHBondContact CB-O 3.38Å; H488-F561 PolarHBondContact N-O 3.45Å; H488-E562 VanDerWaalsContact CB-OE2 3.25Å; H488-E562 WeakPolarHBondContact CB-OE2 3.31Å; H488-E562 CarbonylContact O-C 3.54Å; H488-E562 WeakPolarHBondContact O-CA 3.31Å; H488-L563 VanDerWaalsContact O-CG 3.31Å; H488-L563 WeakPolarHBondContact O-CG 3.35Å; H488-L563 PolarHBondContact O-N 3.29Å |
| 489 | A | 92.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 2% | 0.017 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | E364 V366 T367 E562 L563 F571 | E364-A489 HydrophobicContact CB-CB 4.21Å; E364-A489 WeakPolarHBondContact CG-O 3.37Å; E364-A489 PolarHBondContact OE2-N 3.37Å; V366-A489 HydrophobicContact CG1-CB 3.44Å; V366-A489 VanDerWaalsContact CG1-CB 3.44Å; T367-A489 HydrophobicContact CG2-CB 4.08Å; A489-E562 WeakPolarHBondContact CA-OE2 3.21Å; A489-E562 PolarHBondContact N-OE2 3.26Å; A489-L563 HydrophobicContact CB-CB 4.15Å; A489-F571 VanDerWaalsContact O-CE1 3.23Å; A489-F571 WeakPolarHBondContact O-CE1 3.31Å |
| 490 | Y | 96.2 | Very high | 97.5 | Very high | 7 Ų | 7 | 10.5 Ų | 10.5 | 3% | 0.027 | 5% | 0.048 | C | C | . | . | S | Bend | cis | -125.6 | 162.9 | 5.9 | 64.7 | -81.5 | 0 | 0 | 0 | 109.2 | W233 M234 D244 E562 L563 G567 G570 F571 | W233-Y490 HydrophobicContact CB-CE1 4.13Å; W233-Y490 VanDerWaalsContact CB-OH 3.3Å; W233-Y490 WeakPolarHBondContact CB-OH 3.32Å; W233-Y490 HydrophobicContact CE3-CE1 4.22Å; M234-Y490 HydrophobicContact CE-CD2 4.23Å; M234-Y490 HydrophobicContact CE-CE2 3.54Å; D244-Y490 WeakPolarHBondContact CB-OH 3.42Å; D244-Y490 PolarHBondContact OD2-OH 3.19Å; D244-Y490 VanDerWaalsContact OD2-OH 3.1Å; Y490-E562 PolarHBondContact N-OE2 3.33Å; Y490-L563 WeakPolarHBondContact CA-O 3.38Å; Y490-G567 VanDerWaalsContact CE2-CA 3.45Å; Y490-G570 VanDerWaalsContact CD1-CA 3.41Å; Y490-F571 AromaticContact CD1-CD1 3.69Å; Y490-F571 HydrophobicContact CD1-CD1 3.69Å; Y490-F571 AromaticContact CD1-CE1 3.53Å; Y490-F571 HydrophobicContact CD1-CE1 3.53Å; Y490-F571 HydrophobicContact CD1-CG 4.26Å; Y490-F571 AromaticContact CD1-CZ 3.96Å; Y490-F571 HydrophobicContact CD1-CZ 3.96Å; Y490-F571 HydrophobicContact CE1-CD1 4.1Å; Y490-F571 HydrophobicContact CE1-CD2 4.31Å; Y490-F571 AromaticContact CE1-CE1 3.73Å; Y490-F571 HydrophobicContact CE1-CE1 3.73Å; Y490-F571 AromaticContact CE1-CE2 3.97Å; Y490-F571 HydrophobicContact CE1-CE2 3.97Å; Y490-F571 HydrophobicContact CE1-CG 4.36Å; Y490-F571 AromaticContact CE1-CZ 3.65Å; Y490-F571 HydrophobicContact CE1-CZ 3.65Å |
| 491 | S | 91.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 10.5 Ų | 10.5 | 8% | 0.084 | 5% | 0.05 | C | C | . | . | S | Bend | trans | 164.6 | -7.5 | 161 | -83.5 | 0 | 0 | 0 | 0 | 112.7 | M234 L563 D565 | M234-S491 VanDerWaalsContact CE-OG 3.32Å; M234-S491 WeakPolarHBondContact CE-OG 3.45Å; S491-L563 PolarHBondContact N-O 2.81Å; S491-D565 CarbonylContact C-O 3.5Å; S491-D565 WeakPolarHBondContact CA-O 3.43Å; S491-D565 PolarHBondContact N-O 3.35Å; S491-D565 VanDerWaalsContact N-O 3.13Å |
| 492 | Q | 97.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 15.2 Ų | 15.2 | 12% | 0.121 | 8% | 0.079 | C | C | . | . | trans | 57.3 | 65.9 | -170.7 | -61.6 | 175.3 | -170.6 | 0 | 0 | 111.9 | T528 R529 Y530 R531 E562 L563 R564 T566 | Q492-T528 HydrophobicContact CG-CG2 4.27Å; Q492-R529 WeakPolarHBondContact CB-O 3.13Å; Q492-R529 PolarHBondContact NE2-O 3.45Å; Q492-Y530 HydrophobicContact CB-CD1 4.24Å; Q492-Y530 HydrophobicContact CB-CD2 3.64Å; Q492-Y530 HydrophobicContact CB-CE1 4.28Å; Q492-Y530 HydrophobicContact CB-CE2 3.67Å; Q492-Y530 HydrophobicContact CB-CG 3.91Å; Q492-Y530 HydrophobicContact CG-CD2 4.12Å; Q492-Y530 HydrophobicContact CG-CE2 3.68Å; Q492-Y530 CarbonylContact O-C 3.47Å; Q492-Y530 WeakPolarHBondContact O-CA 3.44Å; Q492-R531 PolarHBondContact O-N 3.01Å; Q492-E562 CarbonylContact C-O 3.58Å; Q492-E562 WeakPolarHBondContact CA-O 3.44Å; Q492-E562 PolarHBondContact N-O 3.31Å; Q492-L563 PolarHBondContact N-O 3.32Å; Q492-R564 HydrophobicContact CG-CG 4.43Å; Q492-T566 HydrophobicContact CB-CG2 4.23Å; Q492-T566 HydrophobicContact CG-CG2 4.1Å | ||
| 493 | M | 97.3 | Very high | 97.2 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.039 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 145.5 | 178.6 | -51.4 | -178.2 | 178.9 | 0 | 0 | 111.6 | M495 Y530 R531 V538 I539 F561 E562 | M493-M495 HydrophobicContact CB-CE 4.09Å; M493-M495 HydrophobicContact CB-CG 4.14Å; M493-M495 HydrophobicContact CB-SD 4.2Å; M493-M495 HydrophobicContact SD-CE 4.43Å; M493-M495 HydrophobicContact SD-SD 4.1Å; M493-Y530 VanDerWaalsContact N-CD1 3.3Å; M493-R531 CarbonylContact C-O 3.51Å; M493-R531 VanDerWaalsContact CA-O 3.25Å; M493-R531 WeakPolarHBondContact CA-O 3.43Å; M493-R531 HydrophobicContact CG-CB 4.42Å; M493-V538 HydrophobicContact CB-CG1 4.2Å; M493-V538 HydrophobicContact CG-CG1 4.09Å; M493-V538 HydrophobicContact SD-CG1 3.65Å; M493-I539 HydrophobicContact CE-CG1 4.24Å; M493-I539 HydrophobicContact SD-CB 4.02Å; M493-I539 HydrophobicContact SD-CD1 4.25Å; M493-I539 HydrophobicContact SD-CG1 3.97Å; M493-F561 CarbonylContact O-C 3.59Å; M493-F561 WeakPolarHBondContact O-CA 3.41Å; M493-E562 HydrophobicContact CB-CB 3.96Å; M493-E562 HydrophobicContact CB-CG 4.25Å; M493-E562 HydrophobicContact CG-CB 4.33Å; M493-E562 PolarHBondContact N-O 3.5Å; M493-E562 PolarHBondContact O-N 3.23Å |
| 494 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 110.3 | 166.1 | 172.8 | 58.9 | 0 | 0 | 0 | 108.9 | A515 A518 I519 R531 Y532 G533 Y559 F561 | L494-A515 HydrophobicContact CD2-CB 4.07Å; L494-A515 HydrophobicContact CG-CB 4.27Å; L494-A518 HydrophobicContact CD2-CB 3.7Å; L494-I519 HydrophobicContact CB-CD1 3.51Å; L494-I519 HydrophobicContact CB-CG1 3.85Å; L494-I519 HydrophobicContact CD2-CD1 3.83Å; L494-I519 HydrophobicContact CD2-CG1 3.97Å; L494-I519 HydrophobicContact CG-CD1 4.32Å; L494-R531 PolarHBondContact N-O 3.17Å; L494-Y532 WeakPolarHBondContact O-CA 3.41Å; L494-Y532 WeakPolarHBondContact O-CB 3.1Å; L494-G533 PolarHBondContact O-N 2.9Å; L494-Y559 HydrophobicContact CD1-CD1 3.89Å; L494-Y559 HydrophobicContact CD1-CG 4.29Å; L494-Y559 HydrophobicContact CG-CD1 4.29Å; L494-F561 HydrophobicContact CB-CD1 4.5Å; L494-F561 HydrophobicContact CB-CE1 4.35Å; L494-F561 HydrophobicContact CD1-CD1 4.14Å; L494-F561 HydrophobicContact CD1-CD2 3.79Å; L494-F561 HydrophobicContact CD1-CE1 3.9Å; L494-F561 HydrophobicContact CD1-CE2 3.53Å; L494-F561 HydrophobicContact CD1-CG 4.09Å; L494-F561 HydrophobicContact CD1-CZ 3.59Å; L494-F561 HydrophobicContact CD2-CE1 4.29Å; L494-F561 HydrophobicContact CD2-CZ 4.08Å; L494-F561 HydrophobicContact CG-CE1 4.41Å; L494-F561 HydrophobicContact CG-CZ 4.35Å |
| 495 | M | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 154.6 | -170.6 | -58.4 | 171.5 | -72.7 | 0 | 0 | 111.7 | M493 G533 I535 V538 I539 Y559 T560 E562 | M493-M495 HydrophobicContact CB-CE 4.09Å; M493-M495 HydrophobicContact CB-CG 4.14Å; M493-M495 HydrophobicContact CB-SD 4.2Å; M493-M495 HydrophobicContact SD-CE 4.43Å; M493-M495 HydrophobicContact SD-SD 4.1Å; M495-G533 CarbonylContact C-O 3.33Å; M495-G533 WeakPolarHBondContact CA-O 3.41Å; M495-I535 HydrophobicContact CB-CG1 3.71Å; M495-I535 HydrophobicContact SD-CG1 4.36Å; M495-V538 HydrophobicContact CG-CB 3.94Å; M495-V538 HydrophobicContact CG-CG1 3.92Å; M495-V538 HydrophobicContact CG-CG2 4.35Å; M495-V538 HydrophobicContact SD-CB 3.98Å; M495-V538 HydrophobicContact SD-CG1 3.97Å; M495-I539 HydrophobicContact CE-CG2 4.4Å; M495-I539 HydrophobicContact SD-CB 3.84Å; M495-I539 HydrophobicContact SD-CG2 3.77Å; M495-Y559 CarbonylContact O-C 3.59Å; M495-Y559 VanDerWaalsContact O-CA 3.31Å; M495-Y559 WeakPolarHBondContact O-CA 3.35Å; M495-Y559 WeakPolarHBondContact O-CD1 3.22Å; M495-T560 HydrophobicContact CB-CG2 3.76Å; M495-T560 HydrophobicContact CE-CG2 3.89Å; M495-T560 PolarHBondContact N-O 3.35Å; M495-T560 PolarHBondContact O-N 2.55Å; M495-E562 HydrophobicContact CE-CG 3.62Å |
| 496 | Y | 98.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 170 | 171.4 | 55.9 | -95.7 | 0 | 0 | 0 | 109.7 | V505 Q508 L511 H512 A515 G533 S534 I535 Y559 | Y496-V505 HydrophobicContact CD2-CG2 4.09Å; Y496-V505 HydrophobicContact CE2-CG2 4.15Å; Y496-Q508 HydrophobicContact CE2-CG 4.11Å; Y496-L511 HydrophobicContact CD1-CB 4.23Å; Y496-L511 HydrophobicContact CD2-CB 4.07Å; Y496-L511 HydrophobicContact CD2-CD1 4.29Å; Y496-L511 HydrophobicContact CG-CB 3.96Å; Y496-H512 HydrophobicContact CE1-CB 4.03Å; Y496-H512 AromaticContact CE1-ND1 3.81Å; Y496-H512 AromaticContact CZ-ND1 3.76Å; Y496-H512 PolarHBondContact OH-ND1 3.23Å; Y496-A515 HydrophobicContact CD1-CB 4.35Å; Y496-G533 WeakPolarHBondContact CD1-O 3.39Å; Y496-G533 VanDerWaalsContact CE1-CA 3.44Å; Y496-G533 WeakPolarHBondContact CE1-O 3.26Å; Y496-G533 VanDerWaalsContact CZ-C 3.45Å; Y496-G533 PolarHBondContact N-O 2.98Å; Y496-S534 CarbonylContact O-C 3.52Å; Y496-S534 WeakPolarHBondContact O-CA 3.24Å; Y496-I535 PolarHBondContact O-N 3.33Å; Y496-Y559 HydrophobicContact CD1-CE1 4.08Å; Y496-Y559 HydrophobicContact CG-CE1 4.36Å |
| 497 | P | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -61.5 | 158 | 180 | -28.4 | 38.3 | 0 | 0 | 0 | 114.2 | V505 V547 D548 Y551 S558 | P497-V505 HydrophobicContact CB-CG1 3.7Å; P497-V505 VanDerWaalsContact O-CG1 3.28Å; P497-V505 WeakPolarHBondContact O-CG1 3.39Å; P497-V547 HydrophobicContact CG-CB 4.21Å; P497-V547 HydrophobicContact CG-CG2 4.2Å; P497-V547 WeakPolarHBondContact CG-O 3.4Å; P497-D548 WeakPolarHBondContact CB-OD1 3.46Å; P497-Y551 HydrophobicContact CB-CG 4.34Å; P497-Y551 HydrophobicContact CG-CG 4.14Å; P497-S558 VanDerWaalsContact CD-O 3.22Å; P497-S558 WeakPolarHBondContact CD-O 3.47Å |
| 498 | Y | 98.4 | Very high | 97 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | cis | -98.7 | 154.1 | -0.4 | -68.6 | -76.6 | 0 | 0 | 0 | 113.2 | Y500 T501 T503 V505 I536 D548 Y551 E552 | Y498-Y500 HydrophobicContact CD1-CD1 4.05Å; Y498-Y500 AromaticContact CD1-CE1 3.52Å; Y498-Y500 HydrophobicContact CD1-CE1 3.52Å; Y498-Y500 AromaticContact CE1-CE1 3.91Å; Y498-Y500 HydrophobicContact CE1-CE1 3.91Å; Y498-Y500 HydrophobicContact CG-CE1 4.26Å; Y498-T501 HydrophobicContact CD2-CG2 4.01Å; Y498-T501 HydrophobicContact CG-CG2 3.83Å; Y498-T503 WeakPolarHBondContact CD2-O 3.43Å; Y498-V505 HydrophobicContact CD2-CG1 3.55Å; Y498-V505 HydrophobicContact CE2-CB 4.28Å; Y498-V505 HydrophobicContact CE2-CG1 3.42Å; Y498-V505 VanDerWaalsContact CE2-CG1 3.42Å; Y498-V505 HydrophobicContact CG-CG1 4.24Å; Y498-I536 WeakPolarHBondContact O-CG2 3.49Å; Y498-I536 PolarHBondContact O-N 3.34Å; Y498-I536 VanDerWaalsContact O-N 3.1Å; Y498-D548 WeakPolarHBondContact CA-OD1 3.34Å; Y498-D548 HydrophobicContact CD1-CB 4.14Å; Y498-Y551 HydrophobicContact CE1-CD1 4.11Å; Y498-Y551 HydrophobicContact CE2-CE1 4.38Å; Y498-Y551 AromaticContact CZ-CD1 3.77Å; Y498-Y551 AromaticContact CZ-CE1 3.97Å; Y498-Y551 WeakPolarHBondContact OH-CD1 3.48Å; Y498-Y551 WeakPolarHBondContact OH-CE1 3.44Å; Y498-E552 HydrophobicContact CE1-CG 3.98Å | ||
| 499 | G | 94.6 | Very high | 97 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -93.6 | -39.6 | 165 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q541 A542 D548 | G499-Q541 WeakPolarHBondContact O-CA 3.43Å; G499-A542 CarbonylContact C-O 3.6Å; G499-A542 PolarHBondContact O-N 2.95Å; G499-D548 WeakPolarHBondContact CA-OD2 3.45Å; G499-D548 VanDerWaalsContact N-CG 3.32Å; G499-D548 PolarHBondContact N-OD1 2.89Å; G499-D548 PolarHBondContact N-OD2 2.82Å |
| 500 | Y | 95.9 | Very high | 97.3 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -81.5 | -17.5 | -171 | 77.7 | -94.5 | 0 | 0 | 0 | 114.6 | A441 L445 Y498 Q541 A542 D548 E552 | A441-Y500 HydrophobicContact CB-CE1 4.48Å; L445-Y500 HydrophobicContact CD1-CD2 4.05Å; Y498-Y500 HydrophobicContact CD1-CD1 4.05Å; Y498-Y500 AromaticContact CD1-CE1 3.52Å; Y498-Y500 HydrophobicContact CD1-CE1 3.52Å; Y498-Y500 AromaticContact CE1-CE1 3.91Å; Y498-Y500 HydrophobicContact CE1-CE1 3.91Å; Y498-Y500 HydrophobicContact CG-CE1 4.26Å; Y500-Q541 PolarHBondContact O-NE2 3.37Å; Y500-A542 VanDerWaalsContact CA-O 3.31Å; Y500-A542 WeakPolarHBondContact CA-O 3.2Å; Y500-A542 PolarHBondContact N-O 3.43Å; Y500-D548 HydrophobicContact CD1-CB 4.11Å; Y500-D548 WeakPolarHBondContact CD1-OD2 3.38Å; Y500-D548 HydrophobicContact CE1-CB 4.39Å; Y500-D548 PolarHBondContact N-OD2 2.97Å; Y500-E552 VanDerWaalsContact CE1-OE1 3.23Å; Y500-E552 WeakPolarHBondContact CE1-OE1 3.47Å; Y500-E552 VanDerWaalsContact CZ-OE1 3.31Å; Y500-E552 PolarHBondContact OH-OE1 3.12Å |
| 501 | T | 96.4 | Very high | 97.4 | Very high | 32 Ų | 32 | 41.8 Ų | 41.8 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | trans | -140 | 150.4 | -174 | -177 | 0 | 0 | 0 | 0 | 112.3 | Y498 T503 | Y498-T501 HydrophobicContact CD2-CG2 4.01Å; Y498-T501 HydrophobicContact CG-CG2 3.83Å; T501-T503 VanDerWaalsContact C-N 3.27Å; T501-T503 PolarHBondContact OG1-N 3.36Å | ||
| 502 | T | 95.1 | Very high | 97.7 | Very high | 110 Ų | 110 | 44.3 Ų | 44.3 | 68% | 0.675 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -79.1 | -11 | 174.6 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | P504 I536 | T502-P504 VanDerWaalsContact O-CD 3.3Å; T502-P504 WeakPolarHBondContact O-CD 3.42Å; T502-I536 HydrophobicContact CG2-CD1 3.63Å |
| 503 | T | 97.3 | Very high | 97.8 | Very high | 87 Ų | 87 | 45.6 Ų | 45.6 | 53% | 0.534 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -64.3 | 123.7 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | Y498 T501 | Y498-T503 WeakPolarHBondContact CD2-O 3.43Å; T501-T503 VanDerWaalsContact C-N 3.27Å; T501-T503 PolarHBondContact OG1-N 3.36Å |
| 504 | P | 97.5 | Very high | 97.9 | Very high | 80 Ų | 80 | 45.5 Ų | 45.5 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -58 | 146.3 | 174.3 | -32.5 | 41.2 | 0 | 0 | 0 | 114.4 | T502 Q508 | T502-P504 VanDerWaalsContact O-CD 3.3Å; T502-P504 WeakPolarHBondContact O-CD 3.42Å; P504-Q508 VanDerWaalsContact CB-OE1 3.23Å |
| 505 | V | 98 | Very high | 97.9 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 143.1 | 162.2 | -75.6 | 0 | 0 | 0 | 0 | 111.2 | Y496 P497 Y498 D507 Q508 L511 Y551 | Y496-V505 HydrophobicContact CD2-CG2 4.09Å; Y496-V505 HydrophobicContact CE2-CG2 4.15Å; P497-V505 HydrophobicContact CB-CG1 3.7Å; P497-V505 VanDerWaalsContact O-CG1 3.28Å; P497-V505 WeakPolarHBondContact O-CG1 3.39Å; Y498-V505 HydrophobicContact CD2-CG1 3.55Å; Y498-V505 HydrophobicContact CE2-CB 4.28Å; Y498-V505 HydrophobicContact CE2-CG1 3.42Å; Y498-V505 VanDerWaalsContact CE2-CG1 3.42Å; Y498-V505 HydrophobicContact CG-CG1 4.24Å; V505-D507 PolarHBondContact O-N 3.04Å; V505-D507 VanDerWaalsContact O-N 3.14Å; V505-Q508 HydrophobicContact CG2-CB 3.86Å; V505-Q508 HydrophobicContact CG2-CG 4.38Å; V505-Q508 WeakPolarHBondContact O-CB 3.4Å; V505-Q508 PolarHBondContact O-N 2.91Å; V505-Q508 VanDerWaalsContact O-N 3.13Å; V505-L511 HydrophobicContact CG2-CD1 4.02Å; V505-Y551 HydrophobicContact CB-CE1 3.88Å; V505-Y551 HydrophobicContact CB-CE2 4.35Å; V505-Y551 WeakPolarHBondContact CB-OH 3.32Å; V505-Y551 HydrophobicContact CG1-CD1 3.89Å; V505-Y551 HydrophobicContact CG1-CE1 3.49Å; V505-Y551 VanDerWaalsContact CG1-CE1 3.49Å; V505-Y551 HydrophobicContact CG1-CE2 4.23Å; V505-Y551 HydrophobicContact CG1-CG 4.42Å |
| 506 | K | 98.1 | Very high | 97.9 | Very high | 181 Ų | 181 | 49.8 Ų | 49.8 | 79% | 0.787 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -32.9 | 175.9 | 62 | 168.5 | -166.5 | -169.1 | 0 | 113.2 | Y551 | K506-Y551 WeakPolarHBondContact CG-OH 3.44Å; K506-Y551 PolarHBondContact N-OH 3.32Å |
| 507 | D | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 54 Ų | 54 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 18.9 | -176.3 | -63.3 | -70 | 0 | 0 | 0 | 113.3 | V505 A509 E510 L511 Y551 K556 | V505-D507 PolarHBondContact O-N 3.04Å; V505-D507 VanDerWaalsContact O-N 3.14Å; D507-A509 VanDerWaalsContact C-N 3.3Å; D507-A509 PolarHBondContact O-N 3.17Å; D507-A509 VanDerWaalsContact O-N 3.14Å; D507-E510 PolarHBondContact O-N 2.81Å; D507-E510 VanDerWaalsContact O-N 3.1Å; D507-L511 HydrophobicContact CB-CD1 4.19Å; D507-L511 HydrophobicContact CB-CG 4.16Å; D507-L511 PolarHBondContact O-N 2.95Å; D507-Y551 PolarHBondContact N-OH 2.92Å; D507-Y551 PolarHBondContact OD2-OH 3.1Å; D507-Y551 VanDerWaalsContact OD2-OH 3.05Å; D507-K556 HydrophobicContact CB-CD 4.21Å; D507-K556 HydrophobicContact CB-CG 4.37Å; D507-K556 WeakPolarHBondContact OD1-CE 3.38Å; D507-K556 IonicContact OD1-NZ 3.46Å; D507-K556 PolarHBondContact OD1-NZ 3.47Å |
| 508 | Q | 98.4 | Very high | 97.9 | Very high | 77 Ų | 77 | 54 Ų | 54 | 36% | 0.36 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -51 | -45.4 | -170.3 | -169.8 | -165.5 | -69.8 | 0 | 0 | 113.5 | Y496 P504 V505 E510 L511 H512 | Y496-Q508 HydrophobicContact CE2-CG 4.11Å; P504-Q508 VanDerWaalsContact CB-OE1 3.23Å; V505-Q508 HydrophobicContact CG2-CB 3.86Å; V505-Q508 HydrophobicContact CG2-CG 4.38Å; V505-Q508 WeakPolarHBondContact O-CB 3.4Å; V505-Q508 PolarHBondContact O-N 2.91Å; V505-Q508 VanDerWaalsContact O-N 3.13Å; Q508-E510 VanDerWaalsContact C-N 3.33Å; Q508-E510 PolarHBondContact O-N 3.36Å; Q508-L511 PolarHBondContact O-N 2.82Å; Q508-H512 WeakPolarHBondContact O-CB 3.14Å; Q508-H512 PolarHBondContact O-N 3.37Å |
| 509 | A | 98.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 53 Ų | 53 | 69% | 0.686 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D507 A513 | D507-A509 VanDerWaalsContact C-N 3.3Å; D507-A509 PolarHBondContact O-N 3.17Å; D507-A509 VanDerWaalsContact O-N 3.14Å; A509-A513 WeakPolarHBondContact O-CB 3.47Å; A509-A513 PolarHBondContact O-N 3.27Å; A509-A513 VanDerWaalsContact O-N 3.13Å |
| 510 | E | 98.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 57.1 Ų | 57.1 | 27% | 0.271 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.4 | -46 | 178.4 | -173.6 | 178.3 | 161.6 | 0 | 0 | 111.1 | D507 Q508 H512 A513 L514 K556 Y557 H595 | D507-E510 PolarHBondContact O-N 2.81Å; D507-E510 VanDerWaalsContact O-N 3.1Å; Q508-E510 VanDerWaalsContact C-N 3.33Å; Q508-E510 PolarHBondContact O-N 3.36Å; E510-H512 VanDerWaalsContact C-N 3.28Å; E510-H512 PolarHBondContact O-N 3.12Å; E510-A513 PolarHBondContact O-N 2.96Å; E510-L514 WeakPolarHBondContact O-CB 3.43Å; E510-L514 PolarHBondContact O-N 3.46Å; E510-K556 IonicContact OE1-NZ 3.09Å; E510-K556 WeakPolarHBondContact OE2-CE 3.06Å; E510-K556 IonicContact OE2-NZ 3.49Å; E510-K556 PolarHBondContact OE2-NZ 3.23Å; E510-Y557 VanDerWaalsContact OE1-CE1 3.3Å; E510-Y557 WeakPolarHBondContact OE1-CE1 3.41Å; E510-Y557 PolarHBondContact OE1-OH 2.99Å; E510-H595 IonicContact OE1-CD2 3.65Å; E510-H595 IonicContact OE1-CE1 3.33Å; E510-H595 IonicContact OE1-NE2 2.75Å; E510-H595 PolarHBondContact OE1-NE2 3.31Å |
| 511 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -37.7 | -178.8 | -65.7 | 177.9 | 0 | 0 | 0 | 112.2 | Y496 V505 D507 Q508 A515 Y551 K556 Y557 Y559 | Y496-L511 HydrophobicContact CD1-CB 4.23Å; Y496-L511 HydrophobicContact CD2-CB 4.07Å; Y496-L511 HydrophobicContact CD2-CD1 4.29Å; Y496-L511 HydrophobicContact CG-CB 3.96Å; V505-L511 HydrophobicContact CG2-CD1 4.02Å; D507-L511 HydrophobicContact CB-CD1 4.19Å; D507-L511 HydrophobicContact CB-CG 4.16Å; D507-L511 PolarHBondContact O-N 2.95Å; Q508-L511 PolarHBondContact O-N 2.82Å; L511-A515 WeakPolarHBondContact O-CB 2.94Å; L511-A515 PolarHBondContact O-N 2.84Å; L511-Y551 HydrophobicContact CD1-CD2 4.4Å; L511-Y551 HydrophobicContact CD1-CE2 3.87Å; L511-K556 WeakPolarHBondContact CD2-O 3.43Å; L511-Y557 HydrophobicContact CD2-CD1 3.85Å; L511-Y557 HydrophobicContact CD2-CE1 4.47Å; L511-Y559 WeakPolarHBondContact CA-OH 3.39Å; L511-Y559 HydrophobicContact CD2-CE2 4Å; L511-Y559 WeakPolarHBondContact CD2-OH 3.5Å; L511-Y559 PolarHBondContact O-OH 3.41Å |
| 512 | H | 98.8 | Very high | 98.3 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 30% | 0.301 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.2 | -45.2 | 177.4 | -165.9 | 87.8 | 0 | 0 | 0 | 112.4 | Y496 Q508 E510 L514 A515 Q516 Y532 | Y496-H512 HydrophobicContact CE1-CB 4.03Å; Y496-H512 AromaticContact CE1-ND1 3.81Å; Y496-H512 AromaticContact CZ-ND1 3.76Å; Y496-H512 PolarHBondContact OH-ND1 3.23Å; Q508-H512 WeakPolarHBondContact O-CB 3.14Å; Q508-H512 PolarHBondContact O-N 3.37Å; E510-H512 VanDerWaalsContact C-N 3.28Å; E510-H512 PolarHBondContact O-N 3.12Å; H512-L514 VanDerWaalsContact C-N 3.32Å; H512-L514 PolarHBondContact O-N 3Å; H512-A515 PolarHBondContact O-N 3.33Å; H512-Q516 PolarHBondContact O-N 3.19Å; H512-Y532 AromaticContact CE1-CD2 3.89Å; H512-Y532 AromaticContact CE1-CE2 3.75Å; H512-Y532 AromaticContact NE2-CE2 3.5Å |
| 513 | A | 98.8 | Very high | 98.5 | Very high | 52 Ų | 52 | 52 Ų | 52 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A509 E510 Q516 K517 | A509-A513 WeakPolarHBondContact O-CB 3.47Å; A509-A513 PolarHBondContact O-N 3.27Å; A509-A513 VanDerWaalsContact O-N 3.13Å; E510-A513 PolarHBondContact O-N 2.96Å; A513-Q516 PolarHBondContact O-N 2.93Å; A513-K517 PolarHBondContact O-N 3.38Å |
| 514 | L | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 176.1 | 178.2 | 58.8 | 0 | 0 | 0 | 111.9 | E510 H512 Q516 K517 A518 Y557 Y559 L592 H595 | E510-L514 WeakPolarHBondContact O-CB 3.43Å; E510-L514 PolarHBondContact O-N 3.46Å; H512-L514 VanDerWaalsContact C-N 3.32Å; H512-L514 PolarHBondContact O-N 3Å; L514-Q516 VanDerWaalsContact C-N 3.34Å; L514-Q516 PolarHBondContact O-N 3.2Å; L514-K517 PolarHBondContact O-N 2.95Å; L514-A518 WeakPolarHBondContact O-CB 3.32Å; L514-A518 PolarHBondContact O-N 3.22Å; L514-Y557 HydrophobicContact CD2-CD1 4.01Å; L514-Y557 HydrophobicContact CD2-CE1 4.23Å; L514-Y559 WeakPolarHBondContact CB-OH 3.46Å; L514-Y559 HydrophobicContact CD2-CE2 4.05Å; L514-L592 HydrophobicContact CD1-CD2 4.07Å; L514-L592 HydrophobicContact CD2-CD2 3.83Å; L514-L592 HydrophobicContact CG-CD2 3.59Å; L514-H595 HydrophobicContact CD1-CB 3.56Å; L514-H595 HydrophobicContact CD2-CB 3.91Å; L514-H595 HydrophobicContact CG-CB 4.4Å |
| 515 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L494 Y496 L511 H512 K517 A518 I519 Y532 Y559 | L494-A515 HydrophobicContact CD2-CB 4.07Å; L494-A515 HydrophobicContact CG-CB 4.27Å; Y496-A515 HydrophobicContact CD1-CB 4.35Å; L511-A515 WeakPolarHBondContact O-CB 2.94Å; L511-A515 PolarHBondContact O-N 2.84Å; H512-A515 PolarHBondContact O-N 3.33Å; A515-K517 VanDerWaalsContact C-N 3.34Å; A515-K517 PolarHBondContact O-N 3.05Å; A515-A518 PolarHBondContact O-N 3.23Å; A515-I519 WeakPolarHBondContact O-CG1 3.28Å; A515-I519 PolarHBondContact O-N 3.28Å; A515-Y532 HydrophobicContact CB-CD2 4.18Å; A515-Y532 HydrophobicContact CB-CG 4.37Å; A515-Y559 HydrophobicContact CB-CE1 4.04Å |
| 516 | Q | 98.8 | Very high | 98.5 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -45.2 | 175.6 | 179.4 | 175.1 | 32.2 | 0 | 0 | 111.7 | H512 A513 L514 T520 Y532 | H512-Q516 PolarHBondContact O-N 3.19Å; A513-Q516 PolarHBondContact O-N 2.93Å; L514-Q516 VanDerWaalsContact C-N 3.34Å; L514-Q516 PolarHBondContact O-N 3.2Å; Q516-T520 WeakPolarHBondContact O-CB 3.47Å; Q516-T520 PolarHBondContact O-N 3.16Å; Q516-T520 PolarHBondContact O-OG1 3.15Å; Q516-Y532 HydrophobicContact CB-CD2 4.39Å; Q516-Y532 HydrophobicContact CB-CE1 4.41Å; Q516-Y532 HydrophobicContact CB-CE2 3.68Å; Q516-Y532 HydrophobicContact CG-CE1 4.45Å; Q516-Y532 HydrophobicContact CG-CE2 4.26Å; Q516-Y532 WeakPolarHBondContact CG-OH 3.2Å; Q516-Y532 PolarHBondContact NE2-OH 3.48Å |
| 517 | K | 98.8 | Very high | 98.5 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 41% | 0.413 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 176.2 | -175.7 | -172.2 | 179.6 | -61.8 | 0 | 111 | A513 L514 A515 I519 T520 D521 | A513-K517 PolarHBondContact O-N 3.38Å; L514-K517 PolarHBondContact O-N 2.95Å; A515-K517 VanDerWaalsContact C-N 3.34Å; A515-K517 PolarHBondContact O-N 3.05Å; K517-I519 VanDerWaalsContact C-N 3.31Å; K517-I519 PolarHBondContact O-N 2.83Å; K517-T520 WeakPolarHBondContact O-CB 3.28Å; K517-T520 PolarHBondContact O-N 3.12Å; K517-T520 VanDerWaalsContact O-N 3.09Å; K517-D521 IonicContact NZ-OD2 3.77Å; K517-D521 PolarHBondContact NZ-OD2 3.39Å; K517-D521 PolarHBondContact O-N 2.94Å |
| 518 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -42 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L494 L514 A515 D521 L522 A588 A591 L592 | L494-A518 HydrophobicContact CD2-CB 3.7Å; L514-A518 WeakPolarHBondContact O-CB 3.32Å; L514-A518 PolarHBondContact O-N 3.22Å; A515-A518 PolarHBondContact O-N 3.23Å; A518-D521 PolarHBondContact O-N 3.15Å; A518-L522 WeakPolarHBondContact O-CB 3.28Å; A518-L522 PolarHBondContact O-N 2.88Å; A518-A588 HydrophobicContact CB-CB 3.99Å; A518-A588 WeakPolarHBondContact O-CB 3.48Å; A518-A591 HydrophobicContact CB-CB 4.12Å; A518-L592 HydrophobicContact CB-CD2 4Å; A518-L592 HydrophobicContact CB-CG 4.3Å |
| 519 | I | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.4 | -34.1 | 175.4 | -67.5 | -43 | 0 | 0 | 0 | 112.8 | L494 A515 K517 D521 L522 A523 Y530 Y532 | L494-I519 HydrophobicContact CB-CD1 3.51Å; L494-I519 HydrophobicContact CB-CG1 3.85Å; L494-I519 HydrophobicContact CD2-CD1 3.83Å; L494-I519 HydrophobicContact CD2-CG1 3.97Å; L494-I519 HydrophobicContact CG-CD1 4.32Å; A515-I519 WeakPolarHBondContact O-CG1 3.28Å; A515-I519 PolarHBondContact O-N 3.28Å; K517-I519 VanDerWaalsContact C-N 3.31Å; K517-I519 PolarHBondContact O-N 2.83Å; I519-D521 VanDerWaalsContact C-N 3.33Å; I519-L522 HydrophobicContact CD1-CD1 4.29Å; I519-L522 PolarHBondContact O-N 3.15Å; I519-A523 VanDerWaalsContact O-CB 3.31Å; I519-A523 WeakPolarHBondContact O-CB 3.39Å; I519-A523 PolarHBondContact O-N 3.16Å; I519-Y530 VanDerWaalsContact CD1-CB 3.41Å; I519-Y530 HydrophobicContact CD1-CD1 3.73Å; I519-Y530 HydrophobicContact CD1-CG 3.74Å; I519-Y532 HydrophobicContact CB-CD1 4.15Å; I519-Y532 HydrophobicContact CG1-CD1 4.06Å; I519-Y532 HydrophobicContact CG1-CG 4.47Å; I519-Y532 HydrophobicContact CG2-CD1 4.24Å |
| 520 | T | 98.8 | Very high | 98.4 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 54% | 0.54 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 173.6 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | Q516 K517 A523 S524 | Q516-T520 WeakPolarHBondContact O-CB 3.47Å; Q516-T520 PolarHBondContact O-N 3.16Å; Q516-T520 PolarHBondContact O-OG1 3.15Å; K517-T520 WeakPolarHBondContact O-CB 3.28Å; K517-T520 PolarHBondContact O-N 3.12Å; K517-T520 VanDerWaalsContact O-N 3.09Å; T520-A523 PolarHBondContact O-N 3.33Å; T520-S524 PolarHBondContact O-N 3.42Å |
| 521 | D | 98.6 | Very high | 98.3 | Very high | 50 Ų | 50 | 54.7 Ų | 54.7 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 178 | -65.6 | -13.2 | 0 | 0 | 0 | 111.1 | K517 A518 I519 S524 L587 A591 | K517-D521 IonicContact NZ-OD2 3.77Å; K517-D521 PolarHBondContact NZ-OD2 3.39Å; K517-D521 PolarHBondContact O-N 2.94Å; A518-D521 PolarHBondContact O-N 3.15Å; I519-D521 VanDerWaalsContact C-N 3.33Å; D521-S524 WeakPolarHBondContact O-CB 3.45Å; D521-S524 PolarHBondContact O-N 3.34Å; D521-S524 PolarHBondContact O-OG 3.47Å; D521-L587 HydrophobicContact CB-CB 4.31Å; D521-L587 VanDerWaalsContact O-CD1 3.3Å; D521-L587 WeakPolarHBondContact O-CD1 3.47Å; D521-A591 WeakPolarHBondContact OD2-CB 3.15Å |
| 522 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.1 | -51.1 | 173.6 | -175.5 | 157.1 | 0 | 0 | 0 | 112 | A518 I519 S524 L525 Y530 F561 E584 A588 | A518-L522 WeakPolarHBondContact O-CB 3.28Å; A518-L522 PolarHBondContact O-N 2.88Å; I519-L522 HydrophobicContact CD1-CD1 4.29Å; I519-L522 PolarHBondContact O-N 3.15Å; L522-S524 PolarHBondContact O-N 2.93Å; L522-S524 VanDerWaalsContact O-N 3.13Å; L522-L525 PolarHBondContact O-N 2.94Å; L522-Y530 HydrophobicContact CD1-CD1 4.34Å; L522-Y530 HydrophobicContact CD1-CD2 4.16Å; L522-Y530 HydrophobicContact CD1-CE1 4.09Å; L522-Y530 HydrophobicContact CD1-CE2 3.91Å; L522-Y530 HydrophobicContact CD1-CG 4.4Å; L522-Y530 HydrophobicContact CD2-CD2 3.7Å; L522-Y530 HydrophobicContact CD2-CE2 3.66Å; L522-Y530 HydrophobicContact CG-CE2 4.48Å; L522-F561 HydrophobicContact CD1-CE1 4.48Å; L522-E584 HydrophobicContact CD1-CG 4.38Å; L522-E584 HydrophobicContact CD2-CB 4.12Å; L522-E584 HydrophobicContact CD2-CG 3.93Å; L522-E584 HydrophobicContact CG-CB 3.89Å; L522-E584 HydrophobicContact CG-CG 3.88Å; L522-E584 WeakPolarHBondContact CG-O 3.31Å; L522-A588 HydrophobicContact CB-CB 4.14Å; L522-A588 HydrophobicContact CD1-CB 4.15Å |
| 523 | A | 98.4 | Very high | 98.2 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 26% | 0.264 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64 | -20.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I519 T520 L525 G527 T528 | I519-A523 VanDerWaalsContact O-CB 3.31Å; I519-A523 WeakPolarHBondContact O-CB 3.39Å; I519-A523 PolarHBondContact O-N 3.16Å; T520-A523 PolarHBondContact O-N 3.33Å; A523-L525 PolarHBondContact O-N 2.91Å; A523-G527 WeakPolarHBondContact O-CA 3.4Å; A523-G527 PolarHBondContact O-N 3.44Å; A523-T528 WeakPolarHBondContact CB-O 3.49Å |
| 524 | S | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 53.2 Ų | 53.2 | 63% | 0.629 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.4 | -24.5 | -179.7 | 77.4 | 0 | 0 | 0 | 0 | 113.9 | T520 D521 L522 | T520-S524 PolarHBondContact O-N 3.42Å; D521-S524 WeakPolarHBondContact O-CB 3.45Å; D521-S524 PolarHBondContact O-N 3.34Å; D521-S524 PolarHBondContact O-OG 3.47Å; L522-S524 PolarHBondContact O-N 2.93Å; L522-S524 VanDerWaalsContact O-N 3.13Å |
| 525 | L | 97.8 | Very high | 98 | Very high | 75 Ų | 75 | 53.5 Ų | 53.5 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -84.3 | -52.4 | -175.5 | -168.3 | 62.3 | 0 | 0 | 0 | 112.5 | L522 A523 E583 E584 L587 | L522-L525 PolarHBondContact O-N 2.94Å; A523-L525 PolarHBondContact O-N 2.91Å; L525-E583 HydrophobicContact CD2-CB 3.61Å; L525-E584 HydrophobicContact CB-CB 4.4Å; L525-E584 HydrophobicContact CD2-CB 4.26Å; L525-L587 HydrophobicContact CB-CD1 3.87Å; L525-L587 HydrophobicContact CD2-CD1 4.38Å |
| 526 | Y | 97.8 | Very high | 97.6 | Very high | 110 Ų | 110 | 54.7 Ų | 54.7 | 43% | 0.431 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -124 | 1.9 | -173.8 | -63.1 | -53.6 | 0 | 0 | 0 | 114.4 | T528 P580 E583 E584 | Y526-T528 PolarHBondContact O-N 2.81Å; Y526-P580 HydrophobicContact CD2-CB 4.18Å; Y526-P580 HydrophobicContact CE2-CB 3.78Å; Y526-P580 VanDerWaalsContact CE2-O 3.31Å; Y526-P580 WeakPolarHBondContact CE2-O 3.22Å; Y526-E583 HydrophobicContact CE2-CB 4.31Å; Y526-E583 PolarHBondContact OH-OE2 2.83Å; Y526-E584 HydrophobicContact CD2-CB 4.05Å |
| 527 | G | 98 | Very high | 97.1 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | trans | 72.9 | 9.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A523 R529 | A523-G527 WeakPolarHBondContact O-CA 3.4Å; A523-G527 PolarHBondContact O-N 3.44Å; G527-R529 PolarHBondContact O-N 3.31Å | ||
| 528 | T | 97.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | trans | -64.3 | 125.5 | -179 | -46.7 | 0 | 0 | 0 | 0 | 110.2 | Q492 A523 Y526 Y530 R564 E584 | Q492-T528 HydrophobicContact CG-CG2 4.27Å; A523-T528 WeakPolarHBondContact CB-O 3.49Å; Y526-T528 PolarHBondContact O-N 2.81Å; T528-Y530 HydrophobicContact CG2-CD2 4.1Å; T528-Y530 HydrophobicContact CG2-CE2 3.68Å; T528-R564 HydrophobicContact CG2-CG 4.38Å; T528-R564 PolarHBondContact OG1-NH2 3.04Å; T528-E584 VanDerWaalsContact CB-OE2 3.22Å; T528-E584 WeakPolarHBondContact CB-OE2 3.31Å; T528-E584 PolarHBondContact OG1-OE1 3.43Å; T528-E584 PolarHBondContact OG1-OE2 3.17Å | ||
| 529 | R | 96.9 | Very high | 95.8 | Very high | 216 Ų | 216 | 52.4 Ų | 52.4 | 82% | 0.815 | 27% | 0.272 | S | S | * | . | trans | -97.3 | 120.6 | -173.6 | -63 | -174.7 | 179.4 | -173.8 | -0.7 | 110.4 | Q492 G527 | Q492-R529 WeakPolarHBondContact CB-O 3.13Å; Q492-R529 PolarHBondContact NE2-O 3.45Å; G527-R529 PolarHBondContact O-N 3.31Å | ||
| 530 | Y | 97.9 | Very high | 94.9 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | trans | -107.8 | 145.9 | 173.8 | -81.5 | -129.1 | 0 | 0 | 0 | 111 | Q492 M493 I519 L522 T528 F561 E562 L563 | Q492-Y530 HydrophobicContact CB-CD1 4.24Å; Q492-Y530 HydrophobicContact CB-CD2 3.64Å; Q492-Y530 HydrophobicContact CB-CE1 4.28Å; Q492-Y530 HydrophobicContact CB-CE2 3.67Å; Q492-Y530 HydrophobicContact CB-CG 3.91Å; Q492-Y530 HydrophobicContact CG-CD2 4.12Å; Q492-Y530 HydrophobicContact CG-CE2 3.68Å; Q492-Y530 CarbonylContact O-C 3.47Å; Q492-Y530 WeakPolarHBondContact O-CA 3.44Å; M493-Y530 VanDerWaalsContact N-CD1 3.3Å; I519-Y530 VanDerWaalsContact CD1-CB 3.41Å; I519-Y530 HydrophobicContact CD1-CD1 3.73Å; I519-Y530 HydrophobicContact CD1-CG 3.74Å; L522-Y530 HydrophobicContact CD1-CD1 4.34Å; L522-Y530 HydrophobicContact CD1-CD2 4.16Å; L522-Y530 HydrophobicContact CD1-CE1 4.09Å; L522-Y530 HydrophobicContact CD1-CE2 3.91Å; L522-Y530 HydrophobicContact CD1-CG 4.4Å; L522-Y530 HydrophobicContact CD2-CD2 3.7Å; L522-Y530 HydrophobicContact CD2-CE2 3.66Å; L522-Y530 HydrophobicContact CG-CE2 4.48Å; T528-Y530 HydrophobicContact CG2-CD2 4.1Å; T528-Y530 HydrophobicContact CG2-CE2 3.68Å; Y530-F561 HydrophobicContact CE1-CD1 4.25Å; Y530-E562 VanDerWaalsContact CE1-O 3.25Å; Y530-E562 WeakPolarHBondContact CE1-O 3.5Å; Y530-L563 WeakPolarHBondContact OH-CA 3.02Å | ||
| 531 | R | 95.6 | Very high | 94.4 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 33% | 0.328 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 152.7 | 163.4 | -65.9 | 174.7 | 65.3 | -146.4 | -4.1 | 109.4 | Q492 M493 L494 V538 | Q492-R531 PolarHBondContact O-N 3.01Å; M493-R531 CarbonylContact C-O 3.51Å; M493-R531 VanDerWaalsContact CA-O 3.25Å; M493-R531 WeakPolarHBondContact CA-O 3.43Å; M493-R531 HydrophobicContact CG-CB 4.42Å; L494-R531 PolarHBondContact N-O 3.17Å; R531-V538 HydrophobicContact CB-CG1 3.97Å; R531-V538 PolarHBondContact NH1-O 3.18Å; R531-V538 PolarHBondContact NH2-O 3.48Å |
| 532 | Y | 98.2 | Very high | 93.8 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.1 | 176.6 | 60.3 | -92.1 | 0 | 0 | 0 | 112.6 | L494 H512 A515 Q516 I519 V538 | L494-Y532 WeakPolarHBondContact O-CA 3.41Å; L494-Y532 WeakPolarHBondContact O-CB 3.1Å; H512-Y532 AromaticContact CE1-CD2 3.89Å; H512-Y532 AromaticContact CE1-CE2 3.75Å; H512-Y532 AromaticContact NE2-CE2 3.5Å; A515-Y532 HydrophobicContact CB-CD2 4.18Å; A515-Y532 HydrophobicContact CB-CG 4.37Å; Q516-Y532 HydrophobicContact CB-CD2 4.39Å; Q516-Y532 HydrophobicContact CB-CE1 4.41Å; Q516-Y532 HydrophobicContact CB-CE2 3.68Å; Q516-Y532 HydrophobicContact CG-CE1 4.45Å; Q516-Y532 HydrophobicContact CG-CE2 4.26Å; Q516-Y532 WeakPolarHBondContact CG-OH 3.2Å; Q516-Y532 PolarHBondContact NE2-OH 3.48Å; I519-Y532 HydrophobicContact CB-CD1 4.15Å; I519-Y532 HydrophobicContact CG1-CD1 4.06Å; I519-Y532 HydrophobicContact CG1-CG 4.47Å; I519-Y532 HydrophobicContact CG2-CD1 4.24Å; Y532-V538 VanDerWaalsContact C-CG2 3.48Å |
| 533 | G | 98 | Very high | 93.6 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.6 | -169.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L494 M495 Y496 | L494-G533 PolarHBondContact O-N 2.9Å; M495-G533 CarbonylContact C-O 3.33Å; M495-G533 WeakPolarHBondContact CA-O 3.41Å; Y496-G533 WeakPolarHBondContact CD1-O 3.39Å; Y496-G533 VanDerWaalsContact CE1-CA 3.44Å; Y496-G533 WeakPolarHBondContact CE1-O 3.26Å; Y496-G533 VanDerWaalsContact CZ-C 3.45Å; Y496-G533 PolarHBondContact N-O 2.98Å |
| 534 | S | 97.9 | Very high | 93.5 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 147.1 | 173.1 | 60.4 | 0 | 0 | 0 | 0 | 110.9 | Y496 I536 N537 V538 | Y496-S534 CarbonylContact O-C 3.52Å; Y496-S534 WeakPolarHBondContact O-CA 3.24Å; S534-I536 VanDerWaalsContact C-N 3.31Å; S534-I536 PolarHBondContact O-N 2.85Å; S534-N537 PolarHBondContact O-N 3.28Å; S534-N537 PolarHBondContact OG-ND2 3.13Å; S534-V538 WeakPolarHBondContact O-CG2 3.43Å; S534-V538 PolarHBondContact O-N 3.36Å |
| 535 | I | 95 | Very high | 93.5 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -48 | -53.4 | -178.2 | -68 | 166.3 | 0 | 0 | 0 | 111 | M495 Y496 N537 V538 I539 Y540 A542 V547 T560 | M495-I535 HydrophobicContact CB-CG1 3.71Å; M495-I535 HydrophobicContact SD-CG1 4.36Å; Y496-I535 PolarHBondContact O-N 3.33Å; I535-N537 PolarHBondContact O-N 3.42Å; I535-N537 VanDerWaalsContact O-N 3.12Å; I535-V538 PolarHBondContact O-N 3.19Å; I535-I539 HydrophobicContact CG2-CG2 3.73Å; I535-I539 WeakPolarHBondContact O-CG2 3.48Å; I535-I539 PolarHBondContact O-N 3.42Å; I535-Y540 PolarHBondContact O-N 2.9Å; I535-A542 HydrophobicContact CG2-CB 4.48Å; I535-V547 HydrophobicContact CD1-CG2 3.42Å; I535-V547 VanDerWaalsContact CD1-CG2 3.42Å; I535-T560 HydrophobicContact CD1-CG2 4.08Å; I535-T560 HydrophobicContact CG1-CG2 4.11Å |
| 536 | I | 91.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 42.7 Ų | 42.7 | 13% | 0.133 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59 | -30.1 | -176.3 | -166.7 | 163.2 | 0 | 0 | 0 | 114.2 | Y498 T502 S534 Q541 | Y498-I536 WeakPolarHBondContact O-CG2 3.49Å; Y498-I536 PolarHBondContact O-N 3.34Å; Y498-I536 VanDerWaalsContact O-N 3.1Å; T502-I536 HydrophobicContact CG2-CD1 3.63Å; S534-I536 VanDerWaalsContact C-N 3.31Å; S534-I536 PolarHBondContact O-N 2.85Å; I536-Q541 HydrophobicContact CD1-CB 3.91Å; I536-Q541 HydrophobicContact CD1-CG 3.93Å; I536-Q541 HydrophobicContact CG1-CB 4.02Å |
| 537 | N | 88.6 | Confident | 93.6 | Very high | 116 Ų | 116 | 37.6 Ų | 37.6 | 62% | 0.62 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -92.4 | -24.9 | -176.7 | -72 | -39.1 | 0 | 0 | 0 | 112.9 | S534 I535 | S534-N537 PolarHBondContact O-N 3.28Å; S534-N537 PolarHBondContact OG-ND2 3.13Å; I535-N537 PolarHBondContact O-N 3.42Å; I535-N537 VanDerWaalsContact O-N 3.12Å |
| 538 | V | 87.3 | Confident | 93.6 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 5% | 0.048 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -92 | -46.8 | -178 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | M493 M495 R531 Y532 S534 I535 | M493-V538 HydrophobicContact CB-CG1 4.2Å; M493-V538 HydrophobicContact CG-CG1 4.09Å; M493-V538 HydrophobicContact SD-CG1 3.65Å; M495-V538 HydrophobicContact CG-CB 3.94Å; M495-V538 HydrophobicContact CG-CG1 3.92Å; M495-V538 HydrophobicContact CG-CG2 4.35Å; M495-V538 HydrophobicContact SD-CB 3.98Å; M495-V538 HydrophobicContact SD-CG1 3.97Å; R531-V538 HydrophobicContact CB-CG1 3.97Å; R531-V538 PolarHBondContact NH1-O 3.18Å; R531-V538 PolarHBondContact NH2-O 3.48Å; Y532-V538 VanDerWaalsContact C-CG2 3.48Å; S534-V538 WeakPolarHBondContact O-CG2 3.43Å; S534-V538 PolarHBondContact O-N 3.36Å; I535-V538 PolarHBondContact O-N 3.19Å |
| 539 | I | 82.6 | Confident | 93.7 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 8% | 0.082 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -107.4 | -87.7 | -178.7 | -149.8 | -178.7 | 0 | 0 | 0 | 109.3 | T237 M493 M495 I535 | T237-I539 WeakPolarHBondContact CA-O 3.38Å; T237-I539 WeakPolarHBondContact CB-O 3.48Å; T237-I539 HydrophobicContact CG2-CG1 4.19Å; T237-I539 WeakPolarHBondContact CG2-O 3.48Å; M493-I539 HydrophobicContact CE-CG1 4.24Å; M493-I539 HydrophobicContact SD-CB 4.02Å; M493-I539 HydrophobicContact SD-CD1 4.25Å; M493-I539 HydrophobicContact SD-CG1 3.97Å; M495-I539 HydrophobicContact CE-CG2 4.4Å; M495-I539 HydrophobicContact SD-CB 3.84Å; M495-I539 HydrophobicContact SD-CG2 3.77Å; I535-I539 HydrophobicContact CG2-CG2 3.73Å; I535-I539 WeakPolarHBondContact O-CG2 3.48Å; I535-I539 PolarHBondContact O-N 3.42Å |
| 540 | Y | 79.8 | Confident | 93.8 | Very high | 52 Ų | 52 | 24.4 Ų | 24.4 | 20% | 0.204 | 11% | 0.114 | C | C | . | . | trans | -164.6 | 170.3 | -177.9 | 53.7 | -101.4 | 0 | 0 | 0 | 110.1 | T237 R437 I535 A542 | T237-Y540 HydrophobicContact CG2-CD1 4.07Å; R437-Y540 PolarHBondContact NH2-OH 3.36Å; I535-Y540 PolarHBondContact O-N 2.9Å; Y540-A542 HydrophobicContact CD2-CB 4.14Å; Y540-A542 HydrophobicContact CE2-CB 3.81Å; Y540-A542 PolarHBondContact O-N 3.21Å | ||
| 541 | Q | 87.6 | Confident | 93.8 | Very high | 82 Ų | 82 | 24.4 Ų | 24.4 | 38% | 0.383 | 11% | 0.114 | S | C | . | . | trans | -65.7 | 118 | 173.1 | -174.9 | 177.7 | 19.9 | 0 | 0 | 111 | G447 G499 Y500 I536 | G447-Q541 WeakPolarHBondContact CA-O 3.38Å; G499-Q541 WeakPolarHBondContact O-CA 3.43Å; Y500-Q541 PolarHBondContact O-NE2 3.37Å; I536-Q541 HydrophobicContact CD1-CB 3.91Å; I536-Q541 HydrophobicContact CD1-CG 3.93Å; I536-Q541 HydrophobicContact CG1-CB 4.02Å | ||
| 542 | A | 86.5 | Confident | 94 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 3% | 0.033 | 12% | 0.115 | C | C | . | . | trans | -133.4 | 122.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G499 Y500 I535 Y540 | G499-A542 CarbonylContact C-O 3.6Å; G499-A542 PolarHBondContact O-N 2.95Å; Y500-A542 VanDerWaalsContact CA-O 3.31Å; Y500-A542 WeakPolarHBondContact CA-O 3.2Å; Y500-A542 PolarHBondContact N-O 3.43Å; I535-A542 HydrophobicContact CG2-CB 4.48Å; Y540-A542 HydrophobicContact CD2-CB 4.14Å; Y540-A542 HydrophobicContact CE2-CB 3.81Å; Y540-A542 PolarHBondContact O-N 3.21Å | ||
| 543 | S | 93.5 | Very high | 94 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -97.9 | 151.9 | -178.8 | 64.3 | 0 | 0 | 0 | 0 | 112.8 | R437 G442 L445 P446 A448 S545 | R437-S543 WeakPolarHBondContact CD-O 3.43Å; G442-S543 VanDerWaalsContact O-CB 3.28Å; G442-S543 WeakPolarHBondContact O-CB 3.4Å; L445-S543 WeakPolarHBondContact O-CB 3.37Å; L445-S543 PolarHBondContact O-OG 2.8Å; P446-S543 WeakPolarHBondContact O-CB 3.29Å; A448-S543 WeakPolarHBondContact CB-OG 3.41Å; S543-S545 PolarHBondContact O-N 3.46Å |
| 544 | G | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 67.9 | 33.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N436 R437 N438 W439 A441 | N436-G544 CarbonylContact C-O 3.57Å; R437-G544 CarbonylContact C-O 3.54Å; R437-G544 WeakPolarHBondContact CA-O 3.31Å; R437-G544 PolarHBondContact N-O 3.36Å; N438-G544 PolarHBondContact N-O 3.45Å; W439-G544 WeakPolarHBondContact CB-O 3.47Å; W439-G544 VanDerWaalsContact CD1-O 3.25Å; W439-G544 PolarHBondContact N-O 3.43Å; W439-G544 VanDerWaalsContact O-CA 3.25Å; W439-G544 WeakPolarHBondContact O-CA 3.27Å; A441-G544 WeakPolarHBondContact O-CA 3.45Å; A441-G544 PolarHBondContact O-N 3Å |
| 545 | S | 97.7 | Very high | 94 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | trans | -84.9 | 154.7 | -179.4 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | N436 S543 V547 D548 W549 | N436-S545 VanDerWaalsContact OD1-CA 3.25Å; N436-S545 WeakPolarHBondContact OD1-CA 3.31Å; N436-S545 WeakPolarHBondContact OD1-CB 3.2Å; S543-S545 PolarHBondContact O-N 3.46Å; S545-V547 PolarHBondContact O-N 2.93Å; S545-D548 WeakPolarHBondContact OG-CB 3.18Å; S545-D548 PolarHBondContact OG-OD2 3.17Å; S545-W549 PolarHBondContact O-N 3.26Å | ||
| 546 | T | 98.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.2 | -53.9 | -179.4 | -53 | 0 | 0 | 0 | 0 | 112.1 | N436 W439 F484 D548 W549 T550 | N436-T546 PolarHBondContact OD1-N 3.13Å; N436-T546 PolarHBondContact OD1-OG1 2.86Å; W439-T546 HydrophobicContact CD2-CG2 4.42Å; W439-T546 VanDerWaalsContact CE2-OG1 3.28Å; W439-T546 HydrophobicContact CH2-CG2 3.81Å; W439-T546 HydrophobicContact CZ2-CG2 3.56Å; W439-T546 HydrophobicContact CZ3-CG2 4.35Å; W439-T546 PolarHBondContact NE1-OG1 3.3Å; F484-T546 HydrophobicContact CD1-CG2 4.15Å; F484-T546 HydrophobicContact CE1-CG2 3.29Å; F484-T546 HydrophobicContact CZ-CG2 3.67Å; T546-D548 PolarHBondContact O-N 3.39Å; T546-W549 PolarHBondContact O-N 3.24Å; T546-T550 HydrophobicContact CG2-CG2 4.47Å; T546-T550 WeakPolarHBondContact O-CG2 3.47Å; T546-T550 PolarHBondContact O-N 3.19Å; T546-T550 PolarHBondContact O-OG1 3.11Å |
| 547 | V | 98.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -77.8 | -24.8 | -169 | -63 | 0 | 0 | 0 | 0 | 113.3 | P497 I535 S545 W549 T550 Y551 Y559 T560 | P497-V547 HydrophobicContact CG-CB 4.21Å; P497-V547 HydrophobicContact CG-CG2 4.2Å; P497-V547 WeakPolarHBondContact CG-O 3.4Å; I535-V547 HydrophobicContact CD1-CG2 3.42Å; I535-V547 VanDerWaalsContact CD1-CG2 3.42Å; S545-V547 PolarHBondContact O-N 2.93Å; V547-W549 VanDerWaalsContact C-N 3.35Å; V547-T550 VanDerWaalsContact CA-OG1 3.32Å; V547-T550 WeakPolarHBondContact CA-OG1 3.45Å; V547-T550 PolarHBondContact O-OG1 3.17Å; V547-Y551 VanDerWaalsContact O-CB 3.3Å; V547-Y551 WeakPolarHBondContact O-CB 3.33Å; V547-Y551 PolarHBondContact O-N 3.39Å; V547-Y551 VanDerWaalsContact O-N 3.14Å; V547-Y559 VanDerWaalsContact CG1-O 3.29Å; V547-Y559 WeakPolarHBondContact CG1-O 3.29Å; V547-T560 HydrophobicContact CG2-CG2 4.15Å |
| 548 | D | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 169.3 | -69.4 | -15.7 | 0 | 0 | 0 | 109.8 | A441 P497 Y498 G499 Y500 S545 T546 E552 | A441-D548 HydrophobicContact CB-CB 3.68Å; P497-D548 WeakPolarHBondContact CB-OD1 3.46Å; Y498-D548 WeakPolarHBondContact CA-OD1 3.34Å; Y498-D548 HydrophobicContact CD1-CB 4.14Å; G499-D548 WeakPolarHBondContact CA-OD2 3.45Å; G499-D548 VanDerWaalsContact N-CG 3.32Å; G499-D548 PolarHBondContact N-OD1 2.89Å; G499-D548 PolarHBondContact N-OD2 2.82Å; Y500-D548 HydrophobicContact CD1-CB 4.11Å; Y500-D548 WeakPolarHBondContact CD1-OD2 3.38Å; Y500-D548 HydrophobicContact CE1-CB 4.39Å; Y500-D548 PolarHBondContact N-OD2 2.97Å; S545-D548 WeakPolarHBondContact OG-CB 3.18Å; S545-D548 PolarHBondContact OG-OD2 3.17Å; T546-D548 PolarHBondContact O-N 3.39Å; D548-E552 WeakPolarHBondContact O-CG 3.28Å; D548-E552 PolarHBondContact O-N 3.17Å |
| 549 | W | 98.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 179 | 177.6 | 80.8 | 0 | 0 | 0 | 112.6 | W439 A441 H463 V472 V475 S545 T546 V547 Y551 E552 Q553 | W439-W549 HydrophobicContact CB-CB 3.88Å; W439-W549 HydrophobicContact CB-CG 4.34Å; W439-W549 HydrophobicContact CE3-CB 4.11Å; W439-W549 AromaticContact CE3-CD2 3.67Å; W439-W549 HydrophobicContact CE3-CD2 3.67Å; W439-W549 AromaticContact CE3-CE3 3.43Å; W439-W549 HydrophobicContact CE3-CE3 3.43Å; W439-W549 VanDerWaalsContact CE3-CE3 3.43Å; W439-W549 AromaticContact CE3-CG 3.96Å; W439-W549 HydrophobicContact CE3-CG 3.96Å; W439-W549 HydrophobicContact CE3-CZ3 4.16Å; W439-W549 HydrophobicContact CZ3-CD2 4.08Å; W439-W549 AromaticContact CZ3-CE3 3.39Å; W439-W549 HydrophobicContact CZ3-CE3 3.39Å; W439-W549 AromaticContact CZ3-CZ3 3.68Å; W439-W549 HydrophobicContact CZ3-CZ3 3.68Å; A441-W549 HydrophobicContact CB-CB 3.84Å; H463-W549 AromaticContact CE1-NE1 3.91Å; H463-W549 AromaticContact NE2-NE1 3.8Å; V472-W549 HydrophobicContact CB-CH2 4.11Å; V472-W549 HydrophobicContact CB-CZ2 4.17Å; V472-W549 HydrophobicContact CG1-CH2 4.1Å; V472-W549 HydrophobicContact CG1-CZ2 3.75Å; V472-W549 HydrophobicContact CG2-CH2 3.91Å; V472-W549 HydrophobicContact CG2-CZ2 3.87Å; V472-W549 HydrophobicContact CG2-CZ3 4.26Å; V475-W549 HydrophobicContact CB-CH2 4Å; V475-W549 HydrophobicContact CB-CZ3 4.14Å; V475-W549 HydrophobicContact CG1-CH2 3.88Å; V475-W549 HydrophobicContact CG1-CZ3 3.96Å; V475-W549 HydrophobicContact CG2-CZ3 4.29Å; S545-W549 PolarHBondContact O-N 3.26Å; T546-W549 PolarHBondContact O-N 3.24Å; V547-W549 VanDerWaalsContact C-N 3.35Å; W549-Y551 VanDerWaalsContact C-N 3.29Å; W549-Y551 PolarHBondContact O-N 2.97Å; W549-E552 CarbonylContact O-C 3.57Å; W549-E552 PolarHBondContact O-N 3.23Å; W549-E552 VanDerWaalsContact O-N 3.16Å; W549-Q553 HydrophobicContact CD2-CG 3.91Å; W549-Q553 VanDerWaalsContact CE2-CG 3.5Å; W549-Q553 HydrophobicContact CE3-CG 4.18Å; W549-Q553 HydrophobicContact CH2-CG 3.74Å; W549-Q553 HydrophobicContact CZ2-CG 3.42Å; W549-Q553 VanDerWaalsContact CZ2-CG 3.42Å; W549-Q553 HydrophobicContact CZ3-CG 4.1Å; W549-Q553 WeakPolarHBondContact O-CG 3.35Å; W549-Q553 PolarHBondContact O-N 3.42Å |
| 550 | T | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.2 | -37.8 | -179.4 | 56 | 0 | 0 | 0 | 0 | 111.7 | F484 T546 V547 Q553 G554 I555 S558 | F484-T550 HydrophobicContact CB-CG2 4.11Å; F484-T550 HydrophobicContact CD1-CG2 3.88Å; F484-T550 HydrophobicContact CD2-CG2 3.41Å; F484-T550 VanDerWaalsContact CD2-CG2 3.41Å; F484-T550 HydrophobicContact CE1-CG2 4.13Å; F484-T550 HydrophobicContact CE2-CG2 3.66Å; F484-T550 HydrophobicContact CG-CG2 3.53Å; F484-T550 HydrophobicContact CZ-CG2 4.01Å; T546-T550 HydrophobicContact CG2-CG2 4.47Å; T546-T550 WeakPolarHBondContact O-CG2 3.47Å; T546-T550 PolarHBondContact O-N 3.19Å; T546-T550 PolarHBondContact O-OG1 3.11Å; V547-T550 VanDerWaalsContact CA-OG1 3.32Å; V547-T550 WeakPolarHBondContact CA-OG1 3.45Å; V547-T550 PolarHBondContact O-OG1 3.17Å; T550-Q553 PolarHBondContact O-N 2.65Å; T550-G554 PolarHBondContact O-N 2.92Å; T550-I555 HydrophobicContact CG2-CD1 4.45Å; T550-I555 VanDerWaalsContact O-CB 3.31Å; T550-I555 WeakPolarHBondContact O-CB 3.36Å; T550-I555 PolarHBondContact O-N 3.07Å; T550-S558 WeakPolarHBondContact CB-OG 3.45Å; T550-S558 VanDerWaalsContact OG1-CB 3.3Å; T550-S558 WeakPolarHBondContact OG1-CB 3.41Å; T550-S558 PolarHBondContact OG1-OG 3.16Å |
| 551 | Y | 98.8 | Very high | 97.2 | Very high | 15 Ų | 15 | 17.3 Ų | 17.3 | 6% | 0.059 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 174.2 | -174.9 | -91.8 | 0 | 0 | 0 | 112.3 | P497 Y498 V505 K506 D507 L511 V547 W549 Q553 G554 K556 S558 | P497-Y551 HydrophobicContact CB-CG 4.34Å; P497-Y551 HydrophobicContact CG-CG 4.14Å; Y498-Y551 HydrophobicContact CE1-CD1 4.11Å; Y498-Y551 HydrophobicContact CE2-CE1 4.38Å; Y498-Y551 AromaticContact CZ-CD1 3.77Å; Y498-Y551 AromaticContact CZ-CE1 3.97Å; Y498-Y551 WeakPolarHBondContact OH-CD1 3.48Å; Y498-Y551 WeakPolarHBondContact OH-CE1 3.44Å; V505-Y551 HydrophobicContact CB-CE1 3.88Å; V505-Y551 HydrophobicContact CB-CE2 4.35Å; V505-Y551 WeakPolarHBondContact CB-OH 3.32Å; V505-Y551 HydrophobicContact CG1-CD1 3.89Å; V505-Y551 HydrophobicContact CG1-CE1 3.49Å; V505-Y551 VanDerWaalsContact CG1-CE1 3.49Å; V505-Y551 HydrophobicContact CG1-CE2 4.23Å; V505-Y551 HydrophobicContact CG1-CG 4.42Å; K506-Y551 WeakPolarHBondContact CG-OH 3.44Å; K506-Y551 PolarHBondContact N-OH 3.32Å; D507-Y551 PolarHBondContact N-OH 2.92Å; D507-Y551 PolarHBondContact OD2-OH 3.1Å; D507-Y551 VanDerWaalsContact OD2-OH 3.05Å; L511-Y551 HydrophobicContact CD1-CD2 4.4Å; L511-Y551 HydrophobicContact CD1-CE2 3.87Å; V547-Y551 VanDerWaalsContact O-CB 3.3Å; V547-Y551 WeakPolarHBondContact O-CB 3.33Å; V547-Y551 PolarHBondContact O-N 3.39Å; V547-Y551 VanDerWaalsContact O-N 3.14Å; W549-Y551 VanDerWaalsContact C-N 3.29Å; W549-Y551 PolarHBondContact O-N 2.97Å; Y551-Q553 PolarHBondContact O-N 3.36Å; Y551-G554 WeakPolarHBondContact O-CA 3.49Å; Y551-G554 PolarHBondContact O-N 2.93Å; Y551-K556 WeakPolarHBondContact CD2-O 3.35Å; Y551-K556 HydrophobicContact CE2-CB 4.34Å; Y551-S558 PolarHBondContact N-OG 3.06Å |
| 552 | E | 98.5 | Very high | 97.7 | Very high | 72 Ų | 72 | 14.7 Ų | 14.7 | 34% | 0.336 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -64.8 | -25 | 172.6 | -73.5 | -178.6 | 177.5 | 0 | 0 | 113.1 | Y498 Y500 D548 W549 G554 | Y498-E552 HydrophobicContact CE1-CG 3.98Å; Y500-E552 VanDerWaalsContact CE1-OE1 3.23Å; Y500-E552 WeakPolarHBondContact CE1-OE1 3.47Å; Y500-E552 VanDerWaalsContact CZ-OE1 3.31Å; Y500-E552 PolarHBondContact OH-OE1 3.12Å; D548-E552 WeakPolarHBondContact O-CG 3.28Å; D548-E552 PolarHBondContact O-N 3.17Å; W549-E552 CarbonylContact O-C 3.57Å; W549-E552 PolarHBondContact O-N 3.23Å; W549-E552 VanDerWaalsContact O-N 3.16Å; E552-G554 PolarHBondContact O-N 2.93Å |
| 553 | Q | 98.3 | Very high | 98.3 | Very high | 87 Ų | 87 | 14.5 Ų | 14.5 | 41% | 0.407 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.6 | 170.1 | -60.2 | -41.9 | -84 | 0 | 0 | 113.6 | W549 T550 Y551 | W549-Q553 HydrophobicContact CD2-CG 3.91Å; W549-Q553 VanDerWaalsContact CE2-CG 3.5Å; W549-Q553 HydrophobicContact CE3-CG 4.18Å; W549-Q553 HydrophobicContact CH2-CG 3.74Å; W549-Q553 HydrophobicContact CZ2-CG 3.42Å; W549-Q553 VanDerWaalsContact CZ2-CG 3.42Å; W549-Q553 HydrophobicContact CZ3-CG 4.1Å; W549-Q553 WeakPolarHBondContact O-CG 3.35Å; W549-Q553 PolarHBondContact O-N 3.42Å; T550-Q553 PolarHBondContact O-N 2.65Å; Y551-Q553 PolarHBondContact O-N 3.36Å |
| 554 | G | 98 | Very high | 98.5 | Very high | 49 Ų | 49 | 15.8 Ų | 15.8 | 51% | 0.505 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | 7.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | T550 Y551 E552 K556 | T550-G554 PolarHBondContact O-N 2.92Å; Y551-G554 WeakPolarHBondContact O-CA 3.49Å; Y551-G554 PolarHBondContact O-N 2.93Å; E552-G554 PolarHBondContact O-N 2.93Å; G554-K556 PolarHBondContact O-N 2.97Å; G554-K556 VanDerWaalsContact O-N 3.11Å |
| 555 | I | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.036 | 9% | 0.088 | C | C | . | . | trans | -81.9 | 86.9 | 173.3 | -50.1 | 176.4 | 0 | 0 | 0 | 108.2 | V475 I481 K482 F484 T550 Y557 S558 | V475-I555 HydrophobicContact CG1-CD1 3.72Å; I481-I555 HydrophobicContact CB-CD1 4.03Å; I481-I555 HydrophobicContact CG2-CD1 3.94Å; I481-I555 HydrophobicContact CG2-CG2 4.28Å; K482-I555 WeakPolarHBondContact O-CG2 3.22Å; F484-I555 HydrophobicContact CB-CG2 4.06Å; F484-I555 HydrophobicContact CD2-CD1 4.41Å; T550-I555 HydrophobicContact CG2-CD1 4.45Å; T550-I555 VanDerWaalsContact O-CB 3.31Å; T550-I555 WeakPolarHBondContact O-CB 3.36Å; T550-I555 PolarHBondContact O-N 3.07Å; I555-Y557 PolarHBondContact O-N 3.49Å; I555-S558 PolarHBondContact O-OG 3.48Å | ||
| 556 | K | 98.5 | Very high | 98 | Very high | 30 Ų | 30 | 19.3 Ų | 19.3 | 13% | 0.13 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -61.3 | -40.1 | -170.1 | 140.2 | 179.1 | -175.6 | 163.9 | 0 | 114 | D507 E510 L511 Y551 G554 S558 Y601 | D507-K556 HydrophobicContact CB-CD 4.21Å; D507-K556 HydrophobicContact CB-CG 4.37Å; D507-K556 WeakPolarHBondContact OD1-CE 3.38Å; D507-K556 IonicContact OD1-NZ 3.46Å; D507-K556 PolarHBondContact OD1-NZ 3.47Å; E510-K556 IonicContact OE1-NZ 3.09Å; E510-K556 WeakPolarHBondContact OE2-CE 3.06Å; E510-K556 IonicContact OE2-NZ 3.49Å; E510-K556 PolarHBondContact OE2-NZ 3.23Å; L511-K556 WeakPolarHBondContact CD2-O 3.43Å; Y551-K556 WeakPolarHBondContact CD2-O 3.35Å; Y551-K556 HydrophobicContact CE2-CB 4.34Å; G554-K556 PolarHBondContact O-N 2.97Å; G554-K556 VanDerWaalsContact O-N 3.11Å; K556-S558 PolarHBondContact O-N 3.31Å; K556-Y601 VanDerWaalsContact CA-OH 3.28Å; K556-Y601 WeakPolarHBondContact CA-OH 3.5Å; K556-Y601 HydrophobicContact CB-CE1 3.82Å; K556-Y601 HydrophobicContact CB-CE2 3.78Å; K556-Y601 WeakPolarHBondContact CB-OH 3.35Å; K556-Y601 HydrophobicContact CD-CD1 3.87Å; K556-Y601 HydrophobicContact CD-CE1 3.42Å; K556-Y601 VanDerWaalsContact CD-CE1 3.42Å; K556-Y601 HydrophobicContact CG-CD1 4.46Å; K556-Y601 HydrophobicContact CG-CE1 3.54Å; K556-Y601 HydrophobicContact CG-CE2 4.43Å; K556-Y601 PolarHBondContact N-OH 3.22Å |
| 557 | Y | 98.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.008 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 64.3 | 175.5 | -56.2 | -51.7 | 0 | 0 | 0 | 111.3 | A483 F484 E510 L511 L514 I555 H595 T596 N599 Y601 | A483-Y557 CarbonylContact C-O 3.55Å; A483-Y557 VanDerWaalsContact CA-O 3.23Å; A483-Y557 WeakPolarHBondContact CA-O 3.4Å; F484-Y557 PolarHBondContact N-O 3.32Å; E510-Y557 VanDerWaalsContact OE1-CE1 3.3Å; E510-Y557 WeakPolarHBondContact OE1-CE1 3.41Å; E510-Y557 PolarHBondContact OE1-OH 2.99Å; L511-Y557 HydrophobicContact CD2-CD1 3.85Å; L511-Y557 HydrophobicContact CD2-CE1 4.47Å; L514-Y557 HydrophobicContact CD2-CD1 4.01Å; L514-Y557 HydrophobicContact CD2-CE1 4.23Å; I555-Y557 PolarHBondContact O-N 3.49Å; Y557-H595 AromaticContact CE1-CD2 3.49Å; Y557-H595 VanDerWaalsContact CE1-CD2 3.49Å; Y557-H595 WeakPolarHBondContact CE1-CD2 3.46Å; Y557-H595 AromaticContact CE1-NE2 3.64Å; Y557-H595 AromaticContact CZ-CD2 3.34Å; Y557-H595 AromaticContact CZ-NE2 3.57Å; Y557-H595 PolarHBondContact OH-CD2 3.01Å; Y557-H595 PolarHBondContact OH-NE2 3.23Å; Y557-T596 HydrophobicContact CD2-CG2 3.83Å; Y557-T596 VanDerWaalsContact CD2-OG1 3.27Å; Y557-T596 WeakPolarHBondContact CD2-OG1 3.35Å; Y557-T596 HydrophobicContact CE2-CG2 4.25Å; Y557-N599 VanDerWaalsContact OH-CB 3.24Å; Y557-N599 WeakPolarHBondContact OH-CB 3.26Å; Y557-Y601 AromaticContact CD2-CE1 3.6Å; Y557-Y601 HydrophobicContact CD2-CE1 3.6Å; Y557-Y601 AromaticContact CD2-CZ 3.76Å; Y557-Y601 WeakPolarHBondContact CD2-OH 3.38Å; Y557-Y601 HydrophobicContact CE1-CE1 4.22Å; Y557-Y601 HydrophobicContact CE2-CD1 4.03Å; Y557-Y601 AromaticContact CE2-CE1 3.16Å; Y557-Y601 HydrophobicContact CE2-CE1 3.16Å; Y557-Y601 AromaticContact CE2-CZ 3.82Å; Y557-Y601 HydrophobicContact CG-CE1 4.3Å; Y557-Y601 AromaticContact CZ-CE1 3.47Å; Y557-Y601 VanDerWaalsContact CZ-CE1 3.47Å; Y557-Y601 PolarHBondContact N-OH 3.34Å |
| 558 | S | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.4 | 173.8 | -67 | 0 | 0 | 0 | 0 | 110 | F484 P497 T550 Y551 I555 K556 | F484-S558 CarbonylContact O-C 3.42Å; F484-S558 WeakPolarHBondContact O-CA 3.47Å; P497-S558 VanDerWaalsContact CD-O 3.22Å; P497-S558 WeakPolarHBondContact CD-O 3.47Å; T550-S558 WeakPolarHBondContact CB-OG 3.45Å; T550-S558 VanDerWaalsContact OG1-CB 3.3Å; T550-S558 WeakPolarHBondContact OG1-CB 3.41Å; T550-S558 PolarHBondContact OG1-OG 3.16Å; Y551-S558 PolarHBondContact N-OG 3.06Å; I555-S558 PolarHBondContact O-OG 3.48Å; K556-S558 PolarHBondContact O-N 3.31Å |
| 559 | Y | 98.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 150.8 | -176.2 | -73.7 | -82.7 | 0 | 0 | 0 | 111.8 | F484 I485 S486 L494 M495 Y496 L511 L514 A515 V547 L592 | F484-Y559 PolarHBondContact O-N 3.23Å; I485-Y559 VanDerWaalsContact CA-O 3.3Å; I485-Y559 WeakPolarHBondContact CA-O 3.35Å; S486-Y559 PolarHBondContact N-O 3.43Å; L494-Y559 HydrophobicContact CD1-CD1 3.89Å; L494-Y559 HydrophobicContact CD1-CG 4.29Å; L494-Y559 HydrophobicContact CG-CD1 4.29Å; M495-Y559 CarbonylContact O-C 3.59Å; M495-Y559 VanDerWaalsContact O-CA 3.31Å; M495-Y559 WeakPolarHBondContact O-CA 3.35Å; M495-Y559 WeakPolarHBondContact O-CD1 3.22Å; Y496-Y559 HydrophobicContact CD1-CE1 4.08Å; Y496-Y559 HydrophobicContact CG-CE1 4.36Å; L511-Y559 WeakPolarHBondContact CA-OH 3.39Å; L511-Y559 HydrophobicContact CD2-CE2 4Å; L511-Y559 WeakPolarHBondContact CD2-OH 3.5Å; L511-Y559 PolarHBondContact O-OH 3.41Å; L514-Y559 WeakPolarHBondContact CB-OH 3.46Å; L514-Y559 HydrophobicContact CD2-CE2 4.05Å; A515-Y559 HydrophobicContact CB-CE1 4.04Å; V547-Y559 VanDerWaalsContact CG1-O 3.29Å; V547-Y559 WeakPolarHBondContact CG1-O 3.29Å; Y559-L592 HydrophobicContact CD2-CD1 4.09Å; Y559-L592 HydrophobicContact CD2-CD2 4.07Å; Y559-L592 HydrophobicContact CE2-CD2 3.88Å; Y559-L592 HydrophobicContact CG-CD1 4.16Å; Y559-L592 HydrophobicContact CG-CD2 4.48Å |
| 560 | T | 98.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 4% | 0.043 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.1 | 170.8 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | S486 H488 M495 I535 V547 | S486-T560 WeakPolarHBondContact O-CA 3.45Å; S486-T560 WeakPolarHBondContact O-CB 3.27Å; S486-T560 PolarHBondContact O-OG1 3.09Å; H488-T560 PolarHBondContact CD2-OG1 3.3Å; M495-T560 HydrophobicContact CB-CG2 3.76Å; M495-T560 HydrophobicContact CE-CG2 3.89Å; M495-T560 PolarHBondContact N-O 3.35Å; M495-T560 PolarHBondContact O-N 2.55Å; I535-T560 HydrophobicContact CD1-CG2 4.08Å; I535-T560 HydrophobicContact CG1-CG2 4.11Å; V547-T560 HydrophobicContact CG2-CG2 4.15Å |
| 561 | F | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 140.8 | 174.7 | -81.2 | -95.9 | 0 | 0 | 0 | 109.7 | I485 S486 I487 H488 M493 L494 L522 Y530 L563 T585 A588 L589 L592 | I485-F561 HydrophobicContact CG2-CD2 3.75Å; I485-F561 HydrophobicContact CG2-CE2 3.84Å; S486-F561 PolarHBondContact O-N 3.14Å; S486-F561 VanDerWaalsContact O-N 3.1Å; I487-F561 HydrophobicContact CG1-CB 4.44Å; I487-F561 HydrophobicContact CG1-CD2 4.4Å; I487-F561 HydrophobicContact CG2-CB 4.13Å; H488-F561 CarbonylContact C-O 3.01Å; H488-F561 VanDerWaalsContact CA-O 3.31Å; H488-F561 WeakPolarHBondContact CA-O 3.28Å; H488-F561 VanDerWaalsContact CB-O 3.23Å; H488-F561 WeakPolarHBondContact CB-O 3.38Å; H488-F561 PolarHBondContact N-O 3.45Å; M493-F561 CarbonylContact O-C 3.59Å; M493-F561 WeakPolarHBondContact O-CA 3.41Å; L494-F561 HydrophobicContact CB-CD1 4.5Å; L494-F561 HydrophobicContact CB-CE1 4.35Å; L494-F561 HydrophobicContact CD1-CD1 4.14Å; L494-F561 HydrophobicContact CD1-CD2 3.79Å; L494-F561 HydrophobicContact CD1-CE1 3.9Å; L494-F561 HydrophobicContact CD1-CE2 3.53Å; L494-F561 HydrophobicContact CD1-CG 4.09Å; L494-F561 HydrophobicContact CD1-CZ 3.59Å; L494-F561 HydrophobicContact CD2-CE1 4.29Å; L494-F561 HydrophobicContact CD2-CZ 4.08Å; L494-F561 HydrophobicContact CG-CE1 4.41Å; L494-F561 HydrophobicContact CG-CZ 4.35Å; L522-F561 HydrophobicContact CD1-CE1 4.48Å; Y530-F561 HydrophobicContact CE1-CD1 4.25Å; F561-L563 HydrophobicContact CB-CD2 4.04Å; F561-L563 HydrophobicContact CD1-CD2 4.26Å; F561-L563 HydrophobicContact CG-CD2 4.46Å; F561-T585 HydrophobicContact CD1-CG2 4.38Å; F561-T585 HydrophobicContact CE1-CG2 4.36Å; F561-A588 HydrophobicContact CE1-CB 3.77Å; F561-A588 HydrophobicContact CZ-CB 3.63Å; F561-L589 HydrophobicContact CE2-CD2 4.07Å; F561-L592 HydrophobicContact CE2-CD1 3.84Å; F561-L592 HydrophobicContact CZ-CD1 4.17Å |
| 562 | E | 98 | Very high | 95 | Very high | 26 Ų | 26 | 26.3 Ų | 26.3 | 12% | 0.121 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111 | 156.5 | -68.1 | -71.9 | -179.8 | 0 | 0 | 106.7 | H488 A489 Y490 Q492 M493 M495 Y530 | H488-E562 VanDerWaalsContact CB-OE2 3.25Å; H488-E562 WeakPolarHBondContact CB-OE2 3.31Å; H488-E562 CarbonylContact O-C 3.54Å; H488-E562 WeakPolarHBondContact O-CA 3.31Å; A489-E562 WeakPolarHBondContact CA-OE2 3.21Å; A489-E562 PolarHBondContact N-OE2 3.26Å; Y490-E562 PolarHBondContact N-OE2 3.33Å; Q492-E562 CarbonylContact C-O 3.58Å; Q492-E562 WeakPolarHBondContact CA-O 3.44Å; Q492-E562 PolarHBondContact N-O 3.31Å; M493-E562 HydrophobicContact CB-CB 3.96Å; M493-E562 HydrophobicContact CB-CG 4.25Å; M493-E562 HydrophobicContact CG-CB 4.33Å; M493-E562 PolarHBondContact N-O 3.5Å; M493-E562 PolarHBondContact O-N 3.23Å; M495-E562 HydrophobicContact CE-CG 3.62Å; Y530-E562 VanDerWaalsContact CE1-O 3.25Å; Y530-E562 WeakPolarHBondContact CE1-O 3.5Å |
| 563 | L | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -168.8 | -174.6 | -61.2 | -174.3 | 0 | 0 | 0 | 112.5 | V366 T367 I487 H488 A489 Y490 S491 Q492 Y530 F561 T581 T585 | V366-L563 HydrophobicContact CG1-CB 4.26Å; V366-L563 HydrophobicContact CG1-CD1 4.35Å; T367-L563 HydrophobicContact CG2-CD1 4.28Å; I487-L563 HydrophobicContact CG2-CD1 3.61Å; I487-L563 HydrophobicContact CG2-CD2 4.08Å; I487-L563 HydrophobicContact CG2-CG 3.75Å; H488-L563 VanDerWaalsContact O-CG 3.31Å; H488-L563 WeakPolarHBondContact O-CG 3.35Å; H488-L563 PolarHBondContact O-N 3.29Å; A489-L563 HydrophobicContact CB-CB 4.15Å; Y490-L563 WeakPolarHBondContact CA-O 3.38Å; S491-L563 PolarHBondContact N-O 2.81Å; Q492-L563 PolarHBondContact N-O 3.32Å; Y530-L563 WeakPolarHBondContact OH-CA 3.02Å; F561-L563 HydrophobicContact CB-CD2 4.04Å; F561-L563 HydrophobicContact CD1-CD2 4.26Å; F561-L563 HydrophobicContact CG-CD2 4.46Å; L563-T581 HydrophobicContact CB-CG2 3.99Å; L563-T581 HydrophobicContact CD1-CG2 3.97Å; L563-T581 HydrophobicContact CG-CG2 4.39Å; L563-T585 HydrophobicContact CD2-CG2 3.82Å; L563-T585 WeakPolarHBondContact CD2-OG1 3.31Å |
| 564 | R | 96.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 20 Ų | 20 | 11% | 0.106 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -59 | 153.3 | 174.1 | -68.7 | -165.9 | -172.1 | -173.4 | 4.3 | 111.9 | Q492 T528 L573 T581 E584 | Q492-R564 HydrophobicContact CG-CG 4.43Å; T528-R564 HydrophobicContact CG2-CG 4.38Å; T528-R564 PolarHBondContact OG1-NH2 3.04Å; R564-L573 HydrophobicContact CB-CD1 4.35Å; R564-L573 HydrophobicContact CB-CD2 3.96Å; R564-T581 HydrophobicContact CB-CG2 4.34Å; R564-T581 WeakPolarHBondContact CD-OG1 3.41Å; R564-T581 HydrophobicContact CG-CG2 4.28Å; R564-E584 IonicContact CZ-OE1 2.64Å; R564-E584 IonicContact CZ-OE2 2.67Å; R564-E584 IonicContact NE-OE1 3.75Å; R564-E584 PolarHBondContact NE-OE1 2.86Å; R564-E584 IonicContact NE-OE2 3.79Å; R564-E584 VanDerWaalsContact NH2-CD 3.31Å; R564-E584 IonicContact NH2-OE1 2.85Å; R564-E584 PolarHBondContact NH2-OE1 3.04Å; R564-E584 IonicContact NH2-OE2 2.67Å; R564-E584 PolarHBondContact NH2-OE2 3Å |
| 565 | D | 95.9 | Very high | 94 | Very high | 10 Ų | 10 | 17.9 Ų | 17.9 | 5% | 0.053 | 10% | 0.096 | C | C | . | . | cis | -105.4 | -149 | -4.6 | 64 | 7.2 | 0 | 0 | 0 | 111.5 | S491 G567 S568 Y569 G570 L573 | S491-D565 CarbonylContact C-O 3.5Å; S491-D565 WeakPolarHBondContact CA-O 3.43Å; S491-D565 PolarHBondContact N-O 3.35Å; S491-D565 VanDerWaalsContact N-O 3.13Å; D565-G567 VanDerWaalsContact OD1-CA 3.31Å; D565-G567 WeakPolarHBondContact OD1-CA 3.39Å; D565-G567 PolarHBondContact OD1-N 3.24Å; D565-S568 PolarHBondContact OD1-N 3.42Å; D565-S568 WeakPolarHBondContact OD2-CB 3.49Å; D565-S568 PolarHBondContact OD2-N 3.48Å; D565-Y569 VanDerWaalsContact OD2-CD2 3.32Å; D565-Y569 WeakPolarHBondContact OD2-CD2 3.5Å; D565-Y569 PolarHBondContact OD2-N 3.47Å; D565-G570 PolarHBondContact OD1-N 3.23Å; D565-L573 HydrophobicContact CB-CD1 3.88Å | ||
| 566 | T | 89.3 | Confident | 93.7 | Very high | 67 Ų | 67 | 25.1 Ų | 25.1 | 41% | 0.411 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -107.6 | 25.6 | 172.8 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | R207 Q492 | R207-T566 PolarHBondContact NH1-O 3.36Å; R207-T566 PolarHBondContact NH2-O 2.85Å; Q492-T566 HydrophobicContact CB-CG2 4.23Å; Q492-T566 HydrophobicContact CG-CG2 4.1Å |
| 567 | G | 82.8 | Confident | 93.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | S | Bend | trans | 107.4 | 0.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | M269 Y490 D565 Y569 | M269-G567 WeakPolarHBondContact CE-O 3.22Å; Y490-G567 VanDerWaalsContact CE2-CA 3.45Å; D565-G567 VanDerWaalsContact OD1-CA 3.31Å; D565-G567 WeakPolarHBondContact OD1-CA 3.39Å; D565-G567 PolarHBondContact OD1-N 3.24Å; G567-Y569 PolarHBondContact O-N 3.32Å |
| 568 | S | 85.6 | Confident | 93.4 | Very high | 74 Ų | 74 | 25.4 Ų | 25.4 | 52% | 0.517 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -59.4 | -35.2 | 175 | -55.3 | 0 | 0 | 0 | 0 | 111.9 | D565 | D565-S568 PolarHBondContact OD1-N 3.42Å; D565-S568 WeakPolarHBondContact OD2-CB 3.49Å; D565-S568 PolarHBondContact OD2-N 3.48Å |
| 569 | Y | 87.4 | Confident | 93.3 | Very high | 80 Ų | 80 | 28 Ų | 28 | 31% | 0.314 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -122.1 | -24.2 | 172.4 | -58.8 | -76.3 | 0 | 0 | 0 | 112.1 | D565 G567 F571 L572 L573 P574 | D565-Y569 VanDerWaalsContact OD2-CD2 3.32Å; D565-Y569 WeakPolarHBondContact OD2-CD2 3.5Å; D565-Y569 PolarHBondContact OD2-N 3.47Å; G567-Y569 PolarHBondContact O-N 3.32Å; Y569-F571 PolarHBondContact O-N 3.29Å; Y569-L572 PolarHBondContact O-N 2.97Å; Y569-L573 HydrophobicContact CD2-CD1 4.28Å; Y569-P574 HydrophobicContact CD1-CG 3.82Å; Y569-P574 VanDerWaalsContact CD2-CD 3.48Å; Y569-P574 HydrophobicContact CD2-CG 4Å; Y569-P574 HydrophobicContact CE1-CG 3.66Å; Y569-P574 HydrophobicContact CE2-CG 3.83Å; Y569-P574 VanDerWaalsContact CG-CD 3.43Å; Y569-P574 HydrophobicContact CG-CG 4Å |
| 570 | G | 90.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -119.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y490 D565 L572 | Y490-G570 VanDerWaalsContact CD1-CA 3.41Å; D565-G570 PolarHBondContact OD1-N 3.23Å; G570-L572 PolarHBondContact O-N 3.01Å |
| 571 | F | 91.8 | Very high | 93.3 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.035 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9.9 | 179.1 | -51.4 | -58.8 | 0 | 0 | 0 | 114.3 | W233 R363 E364 R416 A489 Y490 Y569 | W233-F571 HydrophobicContact CB-CE2 3.69Å; W233-F571 HydrophobicContact CB-CZ 4.24Å; W233-F571 AromaticContact CD1-CE2 3.71Å; W233-F571 AromaticContact CD2-CD2 3.65Å; W233-F571 HydrophobicContact CD2-CD2 3.65Å; W233-F571 AromaticContact CD2-CE2 3.66Å; W233-F571 HydrophobicContact CD2-CE2 3.66Å; W233-F571 AromaticContact CE2-CD2 3.82Å; W233-F571 AromaticContact CE3-CD2 3.96Å; W233-F571 HydrophobicContact CE3-CD2 3.96Å; W233-F571 HydrophobicContact CE3-CE2 4.22Å; W233-F571 AromaticContact CG-CD2 3.94Å; W233-F571 HydrophobicContact CG-CD2 3.94Å; W233-F571 AromaticContact CG-CE2 3.42Å; W233-F571 HydrophobicContact CG-CE2 3.42Å; W233-F571 VanDerWaalsContact CG-CE2 3.42Å; W233-F571 HydrophobicContact CG-CZ 4.41Å; W233-F571 HydrophobicContact CZ2-CD2 4.3Å; W233-F571 HydrophobicContact CZ3-CD2 4.4Å; R363-F571 HydrophobicContact CG-CD1 4.12Å; R363-F571 HydrophobicContact CG-CD2 4.28Å; R363-F571 HydrophobicContact CG-CE1 4.41Å; R363-F571 HydrophobicContact CG-CG 4.07Å; R363-F571 VanDerWaalsContact CZ-CE2 3.44Å; R363-F571 VanDerWaalsContact NE-CE2 3.31Å; E364-F571 HydrophobicContact CG-CD1 4.06Å; E364-F571 HydrophobicContact CG-CE1 4.11Å; R416-F571 PolarHBondContact NH2-O 3.25Å; A489-F571 VanDerWaalsContact O-CE1 3.23Å; A489-F571 WeakPolarHBondContact O-CE1 3.31Å; Y490-F571 AromaticContact CD1-CD1 3.69Å; Y490-F571 HydrophobicContact CD1-CD1 3.69Å; Y490-F571 AromaticContact CD1-CE1 3.53Å; Y490-F571 HydrophobicContact CD1-CE1 3.53Å; Y490-F571 HydrophobicContact CD1-CG 4.26Å; Y490-F571 AromaticContact CD1-CZ 3.96Å; Y490-F571 HydrophobicContact CD1-CZ 3.96Å; Y490-F571 HydrophobicContact CE1-CD1 4.1Å; Y490-F571 HydrophobicContact CE1-CD2 4.31Å; Y490-F571 AromaticContact CE1-CE1 3.73Å; Y490-F571 HydrophobicContact CE1-CE1 3.73Å; Y490-F571 AromaticContact CE1-CE2 3.97Å; Y490-F571 HydrophobicContact CE1-CE2 3.97Å; Y490-F571 HydrophobicContact CE1-CG 4.36Å; Y490-F571 AromaticContact CE1-CZ 3.65Å; Y490-F571 HydrophobicContact CE1-CZ 3.65Å; Y569-F571 PolarHBondContact O-N 3.29Å |
| 572 | L | 91.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | trans | -103.2 | 37.8 | -177.6 | -58.9 | -177.3 | 0 | 0 | 0 | 112.1 | W233 V273 I276 L277 R416 M417 Y569 G570 | W233-L572 HydrophobicContact CH2-CD1 4.38Å; W233-L572 HydrophobicContact CH2-CG 4.4Å; V273-L572 HydrophobicContact CG1-CD1 4Å; I276-L572 HydrophobicContact CB-CD1 3.95Å; I276-L572 HydrophobicContact CG2-CB 3.66Å; I276-L572 HydrophobicContact CG2-CD1 3.88Å; I276-L572 HydrophobicContact CG2-CG 4.39Å; L277-L572 HydrophobicContact CD2-CD1 4.05Å; L277-L572 HydrophobicContact CD2-CD2 3.49Å; L277-L572 VanDerWaalsContact CD2-CD2 3.49Å; L277-L572 HydrophobicContact CD2-CG 4.44Å; L277-L572 HydrophobicContact CG-CD1 4.17Å; L277-L572 HydrophobicContact CG-CD2 4.47Å; R416-L572 HydrophobicContact CG-CD2 4.26Å; M417-L572 HydrophobicContact CE-CD1 4.23Å; M417-L572 HydrophobicContact CE-CD2 3.54Å; M417-L572 HydrophobicContact CE-CG 4.02Å; Y569-L572 PolarHBondContact O-N 2.97Å; G570-L572 PolarHBondContact O-N 3.01Å | ||
| 573 | L | 91.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | trans | -57.1 | 129.7 | -176.8 | -166.2 | 73.1 | 0 | 0 | 0 | 110.4 | Y304 V366 R564 D565 Y569 A575 Q577 | Y304-L573 WeakPolarHBondContact CE2-O 3.47Å; Y304-L573 PolarHBondContact OH-O 3.12Å; V366-L573 HydrophobicContact CB-CD2 4.12Å; V366-L573 HydrophobicContact CG2-CD2 3.72Å; R564-L573 HydrophobicContact CB-CD1 4.35Å; R564-L573 HydrophobicContact CB-CD2 3.96Å; D565-L573 HydrophobicContact CB-CD1 3.88Å; Y569-L573 HydrophobicContact CD2-CD1 4.28Å; L573-A575 PolarHBondContact O-N 3.2Å; L573-Q577 HydrophobicContact CD1-CB 4.38Å; L573-Q577 HydrophobicContact CD2-CB 3.88Å; L573-Q577 HydrophobicContact CG-CB 3.95Å | ||
| 574 | P | 92.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 16% | 0.156 | 16% | 0.157 | C | C | . | . | trans | -60.7 | 139.8 | -178.7 | -27.2 | 35 | 0 | 0 | 0 | 112.2 | Y569 K576 Q577 | Y569-P574 HydrophobicContact CD1-CG 3.82Å; Y569-P574 VanDerWaalsContact CD2-CD 3.48Å; Y569-P574 HydrophobicContact CD2-CG 4Å; Y569-P574 HydrophobicContact CE1-CG 3.66Å; Y569-P574 HydrophobicContact CE2-CG 3.83Å; Y569-P574 VanDerWaalsContact CG-CD 3.43Å; Y569-P574 HydrophobicContact CG-CG 4Å; P574-K576 HydrophobicContact CB-CG 4.04Å; P574-K576 PolarHBondContact O-N 3.12Å; P574-Q577 WeakPolarHBondContact O-CB 3.47Å; P574-Q577 PolarHBondContact O-N 2.95Å | ||
| 575 | A | 90.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.033 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -52 | -35.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A302 L573 Q577 I578 | A302-A575 CarbonylContact O-C 3.57Å; A302-A575 WeakPolarHBondContact O-CB 3.43Å; L573-A575 PolarHBondContact O-N 3.2Å; A575-Q577 PolarHBondContact O-N 3.36Å; A575-I578 HydrophobicContact CB-CD1 4.1Å; A575-I578 VanDerWaalsContact O-CB 3.29Å; A575-I578 WeakPolarHBondContact O-CB 3.4Å; A575-I578 WeakPolarHBondContact O-CD1 3.43Å; A575-I578 VanDerWaalsContact O-CG1 3.23Å; A575-I578 WeakPolarHBondContact O-CG1 3.39Å; A575-I578 PolarHBondContact O-N 3.48Å |
| 576 | K | 92.6 | Very high | 93.6 | Very high | 159 Ų | 159 | 29.4 Ų | 29.4 | 69% | 0.691 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -57.3 | -16.3 | 173.9 | 69.3 | 179.2 | -178.1 | -177.2 | 0 | 115.3 | P574 P580 | P574-K576 HydrophobicContact CB-CG 4.04Å; P574-K576 PolarHBondContact O-N 3.12Å; K576-P580 WeakPolarHBondContact O-CD 3.39Å |
| 577 | Q | 95.8 | Very high | 94 | Very high | 38 Ų | 38 | 29 Ų | 29 | 18% | 0.178 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -95.5 | -4.2 | 176.4 | -65.4 | -148.5 | 56.4 | 0 | 0 | 113.6 | L573 P574 A575 T581 | L573-Q577 HydrophobicContact CD1-CB 4.38Å; L573-Q577 HydrophobicContact CD2-CB 3.88Å; L573-Q577 HydrophobicContact CG-CB 3.95Å; P574-Q577 WeakPolarHBondContact O-CB 3.47Å; P574-Q577 PolarHBondContact O-N 2.95Å; A575-Q577 PolarHBondContact O-N 3.36Å; Q577-T581 VanDerWaalsContact O-CB 3.26Å; Q577-T581 WeakPolarHBondContact O-CB 3.28Å; Q577-T581 PolarHBondContact O-N 3.44Å; Q577-T581 PolarHBondContact O-OG1 3.06Å |
| 578 | I | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -57.4 | 178.8 | -67.9 | 167.1 | 0 | 0 | 0 | 110.5 | Y301 Y304 A369 A575 T581 A582 | Y301-I578 VanDerWaalsContact O-CG2 3.32Å; Y301-I578 WeakPolarHBondContact O-CG2 3.37Å; Y304-I578 HydrophobicContact CD1-CD1 3.77Å; Y304-I578 HydrophobicContact CD2-CD1 4.36Å; Y304-I578 HydrophobicContact CE1-CD1 3.63Å; Y304-I578 HydrophobicContact CE1-CG1 3.9Å; Y304-I578 HydrophobicContact CE2-CD1 4.26Å; Y304-I578 HydrophobicContact CG-CD1 4.13Å; A369-I578 HydrophobicContact CB-CD1 4.08Å; A369-I578 HydrophobicContact CB-CG1 4.17Å; A369-I578 HydrophobicContact CB-CG2 3.64Å; A575-I578 HydrophobicContact CB-CD1 4.1Å; A575-I578 VanDerWaalsContact O-CB 3.29Å; A575-I578 WeakPolarHBondContact O-CB 3.4Å; A575-I578 WeakPolarHBondContact O-CD1 3.43Å; A575-I578 VanDerWaalsContact O-CG1 3.23Å; A575-I578 WeakPolarHBondContact O-CG1 3.39Å; A575-I578 PolarHBondContact O-N 3.48Å; I578-T581 PolarHBondContact O-N 2.81Å; I578-A582 PolarHBondContact O-N 3.44Å |
| 579 | I | 97.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 25.4 Ų | 25.4 | 28% | 0.277 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -61.8 | -49 | -178.1 | -65.1 | 173 | 0 | 0 | 0 | 111.6 | A302 T581 A582 E583 | A302-I579 HydrophobicContact CB-CD1 3.78Å; A302-I579 HydrophobicContact CB-CG1 4.45Å; I579-T581 VanDerWaalsContact C-N 3.26Å; I579-T581 PolarHBondContact O-N 3.31Å; I579-A582 PolarHBondContact O-N 2.86Å; I579-A582 VanDerWaalsContact O-N 3.13Å; I579-E583 HydrophobicContact CG2-CG 4.02Å; I579-E583 WeakPolarHBondContact O-CG 3.39Å; I579-E583 PolarHBondContact O-N 2.92Å |
| 580 | P | 98.3 | Very high | 95.9 | Very high | 31 Ų | 31 | 22.9 Ų | 22.9 | 20% | 0.201 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -55.8 | -39.1 | 175.3 | -28.9 | 35 | 0 | 0 | 0 | 114.1 | Y526 K576 E584 | Y526-P580 HydrophobicContact CD2-CB 4.18Å; Y526-P580 HydrophobicContact CE2-CB 3.78Å; Y526-P580 VanDerWaalsContact CE2-O 3.31Å; Y526-P580 WeakPolarHBondContact CE2-O 3.22Å; K576-P580 WeakPolarHBondContact O-CD 3.39Å; P580-E584 WeakPolarHBondContact O-CG 3.3Å; P580-E584 PolarHBondContact O-N 2.77Å |
| 581 | T | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.6 | -43.4 | 177.5 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | V366 L563 R564 Q577 I578 I579 E584 T585 | V366-T581 HydrophobicContact CG2-CG2 3.84Å; L563-T581 HydrophobicContact CB-CG2 3.99Å; L563-T581 HydrophobicContact CD1-CG2 3.97Å; L563-T581 HydrophobicContact CG-CG2 4.39Å; R564-T581 HydrophobicContact CB-CG2 4.34Å; R564-T581 WeakPolarHBondContact CD-OG1 3.41Å; R564-T581 HydrophobicContact CG-CG2 4.28Å; Q577-T581 VanDerWaalsContact O-CB 3.26Å; Q577-T581 WeakPolarHBondContact O-CB 3.28Å; Q577-T581 PolarHBondContact O-N 3.44Å; Q577-T581 PolarHBondContact O-OG1 3.06Å; I578-T581 PolarHBondContact O-N 2.81Å; I579-T581 VanDerWaalsContact C-N 3.26Å; I579-T581 PolarHBondContact O-N 3.31Å; T581-E584 WeakPolarHBondContact O-CG 3.45Å; T581-T585 WeakPolarHBondContact O-CB 3.46Å; T581-T585 PolarHBondContact O-N 2.61Å; T581-T585 VanDerWaalsContact O-N 3.14Å; T581-T585 PolarHBondContact O-OG1 3.42Å |
| 582 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -46.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W373 F374 I578 I579 E584 T585 W586 | W373-A582 HydrophobicContact CB-CB 3.9Å; W373-A582 HydrophobicContact CD2-CB 3.69Å; W373-A582 HydrophobicContact CE3-CB 3.75Å; W373-A582 HydrophobicContact CG-CB 3.77Å; F374-A582 HydrophobicContact CE1-CB 4.22Å; F374-A582 WeakPolarHBondContact CE1-O 3.43Å; I578-A582 PolarHBondContact O-N 3.44Å; I579-A582 PolarHBondContact O-N 2.86Å; I579-A582 VanDerWaalsContact O-N 3.13Å; A582-E584 PolarHBondContact O-N 2.95Å; A582-T585 PolarHBondContact O-N 2.73Å; A582-W586 WeakPolarHBondContact O-CB 3.29Å; A582-W586 PolarHBondContact O-N 3.07Å |
| 583 | E | 98.6 | Very high | 97 | Very high | 60 Ų | 60 | 22.6 Ų | 22.6 | 28% | 0.28 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.5 | -44.9 | -177.7 | -72.8 | 176.3 | 148.1 | 0 | 0 | 113 | W373 L525 Y526 I579 W586 | W373-E583 HydrophobicContact CH2-CB 4.47Å; W373-E583 HydrophobicContact CH2-CG 3.86Å; W373-E583 HydrophobicContact CZ2-CB 4.49Å; W373-E583 HydrophobicContact CZ2-CG 3.46Å; W373-E583 VanDerWaalsContact CZ2-CG 3.46Å; L525-E583 HydrophobicContact CD2-CB 3.61Å; Y526-E583 HydrophobicContact CE2-CB 4.31Å; Y526-E583 PolarHBondContact OH-OE2 2.83Å; I579-E583 HydrophobicContact CG2-CG 4.02Å; I579-E583 WeakPolarHBondContact O-CG 3.39Å; I579-E583 PolarHBondContact O-N 2.92Å; E583-W586 WeakPolarHBondContact O-CB 3.2Å; E583-W586 PolarHBondContact O-N 3.42Å |
| 584 | E | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.8 | -38.4 | 178.7 | 72.2 | -173 | -175.1 | 0 | 0 | 111.7 | L522 L525 Y526 T528 R564 P580 T581 A582 W586 L587 | L522-E584 HydrophobicContact CD1-CG 4.38Å; L522-E584 HydrophobicContact CD2-CB 4.12Å; L522-E584 HydrophobicContact CD2-CG 3.93Å; L522-E584 HydrophobicContact CG-CB 3.89Å; L522-E584 HydrophobicContact CG-CG 3.88Å; L522-E584 WeakPolarHBondContact CG-O 3.31Å; L525-E584 HydrophobicContact CB-CB 4.4Å; L525-E584 HydrophobicContact CD2-CB 4.26Å; Y526-E584 HydrophobicContact CD2-CB 4.05Å; T528-E584 VanDerWaalsContact CB-OE2 3.22Å; T528-E584 WeakPolarHBondContact CB-OE2 3.31Å; T528-E584 PolarHBondContact OG1-OE1 3.43Å; T528-E584 PolarHBondContact OG1-OE2 3.17Å; R564-E584 IonicContact CZ-OE1 2.64Å; R564-E584 IonicContact CZ-OE2 2.67Å; R564-E584 IonicContact NE-OE1 3.75Å; R564-E584 PolarHBondContact NE-OE1 2.86Å; R564-E584 IonicContact NE-OE2 3.79Å; R564-E584 VanDerWaalsContact NH2-CD 3.31Å; R564-E584 IonicContact NH2-OE1 2.85Å; R564-E584 PolarHBondContact NH2-OE1 3.04Å; R564-E584 IonicContact NH2-OE2 2.67Å; R564-E584 PolarHBondContact NH2-OE2 3Å; P580-E584 WeakPolarHBondContact O-CG 3.3Å; P580-E584 PolarHBondContact O-N 2.77Å; T581-E584 WeakPolarHBondContact O-CG 3.45Å; A582-E584 PolarHBondContact O-N 2.95Å; E584-W586 VanDerWaalsContact C-N 3.26Å; E584-W586 PolarHBondContact O-N 2.91Å; E584-L587 WeakPolarHBondContact O-CB 3.12Å; E584-L587 PolarHBondContact O-N 2.58Å |
| 585 | T | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -35.1 | 177.3 | -58 | 0 | 0 | 0 | 0 | 110.8 | F374 F561 L563 T581 A582 L587 A588 L589 | F374-T585 HydrophobicContact CE1-CG2 4.45Å; F374-T585 HydrophobicContact CZ-CG2 3.75Å; F561-T585 HydrophobicContact CD1-CG2 4.38Å; F561-T585 HydrophobicContact CE1-CG2 4.36Å; L563-T585 HydrophobicContact CD2-CG2 3.82Å; L563-T585 WeakPolarHBondContact CD2-OG1 3.31Å; T581-T585 WeakPolarHBondContact O-CB 3.46Å; T581-T585 PolarHBondContact O-N 2.61Å; T581-T585 VanDerWaalsContact O-N 3.14Å; T581-T585 PolarHBondContact O-OG1 3.42Å; A582-T585 PolarHBondContact O-N 2.73Å; T585-L587 VanDerWaalsContact C-N 3.27Å; T585-L587 PolarHBondContact O-N 3.4Å; T585-A588 WeakPolarHBondContact O-CB 3.41Å; T585-A588 PolarHBondContact O-N 3.47Å; T585-A588 VanDerWaalsContact O-N 3.14Å; T585-L589 HydrophobicContact CG2-CD1 4.22Å; T585-L589 HydrophobicContact CG2-CG 4.28Å; T585-L589 WeakPolarHBondContact O-CG 3.36Å; T585-L589 PolarHBondContact O-N 2.8Å |
| 586 | W | 98.9 | Very high | 98 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 5% | 0.045 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -36.1 | 176.1 | -177 | -110.1 | 0 | 0 | 0 | 112.8 | W373 F374 K377 I378 L388 A582 E583 E584 L589 M590 M593 | W373-W586 HydrophobicContact CH2-CB 4.28Å; W373-W586 HydrophobicContact CH2-CG 4.36Å; W373-W586 HydrophobicContact CZ3-CB 3.73Å; W373-W586 HydrophobicContact CZ3-CD2 4.35Å; W373-W586 AromaticContact CZ3-CG 3.88Å; W373-W586 HydrophobicContact CZ3-CG 3.88Å; F374-W586 HydrophobicContact CB-CE3 4.43Å; F374-W586 HydrophobicContact CB-CZ3 4.37Å; F374-W586 HydrophobicContact CD1-CB 4.47Å; F374-W586 AromaticContact CD1-CE3 3.72Å; F374-W586 HydrophobicContact CD1-CE3 3.72Å; F374-W586 HydrophobicContact CD1-CZ3 4.46Å; F374-W586 HydrophobicContact CE1-CB 4.27Å; F374-W586 HydrophobicContact CE1-CE3 4.4Å; F374-W586 HydrophobicContact CG-CE3 4.31Å; K377-W586 HydrophobicContact CG-CD2 3.88Å; K377-W586 HydrophobicContact CG-CG 4.16Å; K377-W586 HydrophobicContact CG-CZ2 3.95Å; I378-W586 HydrophobicContact CD1-CH2 4.37Å; I378-W586 HydrophobicContact CD1-CZ3 4.47Å; I378-W586 HydrophobicContact CG1-CH2 3.52Å; I378-W586 HydrophobicContact CG1-CZ2 4.46Å; I378-W586 HydrophobicContact CG1-CZ3 4.01Å; L388-W586 HydrophobicContact CD1-CH2 4.28Å; L388-W586 HydrophobicContact CD1-CZ2 4.26Å; L388-W586 HydrophobicContact CD2-CZ2 4.27Å; A582-W586 WeakPolarHBondContact O-CB 3.29Å; A582-W586 PolarHBondContact O-N 3.07Å; E583-W586 WeakPolarHBondContact O-CB 3.2Å; E583-W586 PolarHBondContact O-N 3.42Å; E584-W586 VanDerWaalsContact C-N 3.26Å; E584-W586 PolarHBondContact O-N 2.91Å; W586-L589 HydrophobicContact CE3-CB 4.41Å; W586-L589 HydrophobicContact CE3-CD1 4.15Å; W586-L589 PolarHBondContact O-N 2.91Å; W586-M590 HydrophobicContact CD2-CG 4.25Å; W586-M590 HydrophobicContact CG-CG 4.5Å; W586-M590 HydrophobicContact CH2-SD 4.17Å; W586-M590 HydrophobicContact CZ2-CG 3.98Å; W586-M590 HydrophobicContact CZ2-SD 3.56Å; W586-M590 VanDerWaalsContact CZ2-SD 3.56Å; W586-M590 WeakPolarHBondContact O-CB 3.43Å; W586-M590 WeakPolarHBondContact O-CG 3.3Å; W586-M590 PolarHBondContact O-N 3.42Å; W586-M593 HydrophobicContact CH2-CE 3.79Å; W586-M593 HydrophobicContact CZ2-CE 4.41Å; W586-M593 HydrophobicContact CZ3-CE 4.02Å |
| 587 | L | 98.8 | Very high | 98.3 | Very high | 57 Ų | 57 | 20.8 Ų | 20.8 | 30% | 0.298 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.3 | -60.5 | -178.7 | 0 | 0 | 0 | 111.6 | D521 L525 E584 T585 M590 A591 | D521-L587 HydrophobicContact CB-CB 4.31Å; D521-L587 VanDerWaalsContact O-CD1 3.3Å; D521-L587 WeakPolarHBondContact O-CD1 3.47Å; L525-L587 HydrophobicContact CB-CD1 3.87Å; L525-L587 HydrophobicContact CD2-CD1 4.38Å; E584-L587 WeakPolarHBondContact O-CB 3.12Å; E584-L587 PolarHBondContact O-N 2.58Å; T585-L587 VanDerWaalsContact C-N 3.27Å; T585-L587 PolarHBondContact O-N 3.4Å; L587-M590 PolarHBondContact O-N 3.02Å; L587-A591 PolarHBondContact O-N 3.12Å; L587-A591 VanDerWaalsContact O-N 3.1Å |
| 588 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A518 L522 F561 T585 M590 A591 L592 | A518-A588 HydrophobicContact CB-CB 3.99Å; A518-A588 WeakPolarHBondContact O-CB 3.48Å; L522-A588 HydrophobicContact CB-CB 4.14Å; L522-A588 HydrophobicContact CD1-CB 4.15Å; F561-A588 HydrophobicContact CE1-CB 3.77Å; F561-A588 HydrophobicContact CZ-CB 3.63Å; T585-A588 WeakPolarHBondContact O-CB 3.41Å; T585-A588 PolarHBondContact O-N 3.47Å; T585-A588 VanDerWaalsContact O-N 3.14Å; A588-M590 VanDerWaalsContact C-N 3.33Å; A588-M590 PolarHBondContact O-N 2.87Å; A588-A591 WeakPolarHBondContact O-CB 3.26Å; A588-A591 PolarHBondContact O-N 3.16Å; A588-A591 VanDerWaalsContact O-N 3.13Å; A588-L592 WeakPolarHBondContact O-CG 3.42Å; A588-L592 PolarHBondContact O-N 3.13Å |
| 589 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.8 | -45.8 | 176.5 | -71.6 | 173.5 | 0 | 0 | 0 | 111.2 | I356 F374 I485 I487 F561 T585 W586 A591 L592 M593 | I356-L589 HydrophobicContact CD1-CD2 4.49Å; F374-L589 HydrophobicContact CD1-CD1 4.14Å; F374-L589 HydrophobicContact CD2-CD1 4.06Å; F374-L589 HydrophobicContact CE1-CD1 3.89Å; F374-L589 HydrophobicContact CE2-CD1 3.81Å; F374-L589 HydrophobicContact CG-CD1 4.26Å; F374-L589 HydrophobicContact CZ-CD1 3.73Å; I485-L589 HydrophobicContact CD1-CD2 4.11Å; I485-L589 HydrophobicContact CG2-CD2 3.77Å; I487-L589 HydrophobicContact CD1-CD1 4.43Å; I487-L589 HydrophobicContact CD1-CD2 4.42Å; F561-L589 HydrophobicContact CE2-CD2 4.07Å; T585-L589 HydrophobicContact CG2-CD1 4.22Å; T585-L589 HydrophobicContact CG2-CG 4.28Å; T585-L589 WeakPolarHBondContact O-CG 3.36Å; T585-L589 PolarHBondContact O-N 2.8Å; W586-L589 HydrophobicContact CE3-CB 4.41Å; W586-L589 HydrophobicContact CE3-CD1 4.15Å; W586-L589 PolarHBondContact O-N 2.91Å; L589-A591 VanDerWaalsContact C-N 3.3Å; L589-A591 PolarHBondContact O-N 3.33Å; L589-L592 PolarHBondContact O-N 2.03Å; L589-L592 VanDerWaalsContact O-N 3.16Å; L589-M593 HydrophobicContact CB-CE 4.33Å; L589-M593 WeakPolarHBondContact O-CB 3.22Å; L589-M593 VanDerWaalsContact O-CG 3.25Å; L589-M593 WeakPolarHBondContact O-CG 3.5Å; L589-M593 PolarHBondContact O-N 2.94Å |
| 590 | M | 98.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 29.8 Ų | 29.8 | 13% | 0.133 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.9 | -39.9 | 176 | -78.2 | -59.8 | -60.1 | 0 | 0 | 112.2 | A387 L388 I391 W586 L587 A588 M593 D594 | A387-M590 HydrophobicContact CB-CE 3.93Å; L388-M590 HydrophobicContact CB-CE 3.94Å; L388-M590 HydrophobicContact CB-SD 4.28Å; L388-M590 HydrophobicContact CD1-SD 4.17Å; I391-M590 HydrophobicContact CD1-CE 4.09Å; W586-M590 HydrophobicContact CD2-CG 4.25Å; W586-M590 HydrophobicContact CG-CG 4.5Å; W586-M590 HydrophobicContact CH2-SD 4.17Å; W586-M590 HydrophobicContact CZ2-CG 3.98Å; W586-M590 HydrophobicContact CZ2-SD 3.56Å; W586-M590 VanDerWaalsContact CZ2-SD 3.56Å; W586-M590 WeakPolarHBondContact O-CB 3.43Å; W586-M590 WeakPolarHBondContact O-CG 3.3Å; W586-M590 PolarHBondContact O-N 3.42Å; L587-M590 PolarHBondContact O-N 3.02Å; A588-M590 VanDerWaalsContact C-N 3.33Å; A588-M590 PolarHBondContact O-N 2.87Å; M590-M593 HydrophobicContact CG-CE 4.31Å; M590-M593 PolarHBondContact O-N 3.11Å; M590-M593 HydrophobicContact SD-CE 3.53Å; M590-M593 VanDerWaalsContact SD-CE 3.53Å; M590-D594 WeakPolarHBondContact O-CB 3.46Å; M590-D594 PolarHBondContact O-N 3.27Å |
| 591 | A | 98.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A518 D521 L587 A588 L589 H595 | A518-A591 HydrophobicContact CB-CB 4.12Å; D521-A591 WeakPolarHBondContact OD2-CB 3.15Å; L587-A591 PolarHBondContact O-N 3.12Å; L587-A591 VanDerWaalsContact O-N 3.1Å; A588-A591 WeakPolarHBondContact O-CB 3.26Å; A588-A591 PolarHBondContact O-N 3.16Å; A588-A591 VanDerWaalsContact O-N 3.13Å; L589-A591 VanDerWaalsContact C-N 3.3Å; L589-A591 PolarHBondContact O-N 3.33Å; A591-H595 WeakPolarHBondContact O-CB 3.48Å; A591-H595 PolarHBondContact O-N 2.94Å; A591-H595 VanDerWaalsContact O-N 3.13Å |
| 592 | L | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.9 | -45.3 | 177 | -60.7 | -177.7 | 0 | 0 | 0 | 111.7 | I485 L514 A518 Y559 F561 A588 L589 T596 | I485-L592 HydrophobicContact CD1-CB 4.49Å; I485-L592 HydrophobicContact CD1-CD1 4.28Å; I485-L592 HydrophobicContact CG1-CD1 4.14Å; L514-L592 HydrophobicContact CD1-CD2 4.07Å; L514-L592 HydrophobicContact CD2-CD2 3.83Å; L514-L592 HydrophobicContact CG-CD2 3.59Å; A518-L592 HydrophobicContact CB-CD2 4Å; A518-L592 HydrophobicContact CB-CG 4.3Å; Y559-L592 HydrophobicContact CD2-CD1 4.09Å; Y559-L592 HydrophobicContact CD2-CD2 4.07Å; Y559-L592 HydrophobicContact CE2-CD2 3.88Å; Y559-L592 HydrophobicContact CG-CD1 4.16Å; Y559-L592 HydrophobicContact CG-CD2 4.48Å; F561-L592 HydrophobicContact CE2-CD1 3.84Å; F561-L592 HydrophobicContact CZ-CD1 4.17Å; A588-L592 WeakPolarHBondContact O-CG 3.42Å; A588-L592 PolarHBondContact O-N 3.13Å; L589-L592 PolarHBondContact O-N 2.03Å; L589-L592 VanDerWaalsContact O-N 3.16Å; L592-T596 WeakPolarHBondContact O-CB 3.4Å; L592-T596 PolarHBondContact O-N 2.92Å; L592-T596 PolarHBondContact O-OG1 2.78Å |
| 593 | M | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.1 | -42.8 | -178.7 | -66.4 | -169.3 | -67.8 | 0 | 0 | 112.2 | I354 I356 I391 I397 W586 L589 M590 T596 Y597 | I354-M593 HydrophobicContact CD1-CB 3.86Å; I354-M593 HydrophobicContact CD1-CG 3.77Å; I354-M593 HydrophobicContact CD1-SD 4.22Å; I354-M593 HydrophobicContact CG2-CG 4.16Å; I354-M593 HydrophobicContact CG2-SD 4.39Å; I356-M593 HydrophobicContact CD1-SD 4.38Å; I391-M593 HydrophobicContact CD1-CB 3.84Å; I397-M593 HydrophobicContact CD1-SD 3.8Å; I397-M593 HydrophobicContact CG1-SD 4.5Å; W586-M593 HydrophobicContact CH2-CE 3.79Å; W586-M593 HydrophobicContact CZ2-CE 4.41Å; W586-M593 HydrophobicContact CZ3-CE 4.02Å; L589-M593 HydrophobicContact CB-CE 4.33Å; L589-M593 WeakPolarHBondContact O-CB 3.22Å; L589-M593 VanDerWaalsContact O-CG 3.25Å; L589-M593 WeakPolarHBondContact O-CG 3.5Å; L589-M593 PolarHBondContact O-N 2.94Å; M590-M593 HydrophobicContact CG-CE 4.31Å; M590-M593 PolarHBondContact O-N 3.11Å; M590-M593 HydrophobicContact SD-CE 3.53Å; M590-M593 VanDerWaalsContact SD-CE 3.53Å; M593-T596 WeakPolarHBondContact O-CB 2.95Å; M593-T596 PolarHBondContact O-N 3Å; M593-Y597 WeakPolarHBondContact O-CB 3.41Å; M593-Y597 PolarHBondContact O-N 3.03Å |
| 594 | D | 98.6 | Very high | 96 | Very high | 33 Ų | 33 | 35.9 Ų | 35.9 | 18% | 0.176 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 177 | 178.8 | 62 | 0 | 0 | 0 | 111.6 | I391 M590 Y597 K598 | I391-D594 HydrophobicContact CD1-CB 4.34Å; M590-D594 WeakPolarHBondContact O-CB 3.46Å; M590-D594 PolarHBondContact O-N 3.27Å; D594-Y597 PolarHBondContact O-N 2.78Å; D594-K598 WeakPolarHBondContact O-CB 3.45Å; D594-K598 WeakPolarHBondContact O-CG 3.47Å; D594-K598 PolarHBondContact O-N 3.37Å; D594-K598 WeakPolarHBondContact OD1-CE 3.39Å; D594-K598 IonicContact OD1-NZ 2.87Å; D594-K598 PolarHBondContact OD1-NZ 2.8Å; D594-K598 WeakPolarHBondContact OD2-CE 3.21Å; D594-K598 IonicContact OD2-NZ 3.47Å; D594-K598 PolarHBondContact OD2-NZ 2.9Å |
| 595 | H | 98.6 | Very high | 95.9 | Very high | 44 Ų | 44 | 38.1 Ų | 38.1 | 20% | 0.204 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 173.7 | -172.9 | 94.4 | 0 | 0 | 0 | 111.6 | E510 L514 Y557 A591 Y597 K598 N599 | E510-H595 IonicContact OE1-CD2 3.65Å; E510-H595 IonicContact OE1-CE1 3.33Å; E510-H595 IonicContact OE1-NE2 2.75Å; E510-H595 PolarHBondContact OE1-NE2 3.31Å; L514-H595 HydrophobicContact CD1-CB 3.56Å; L514-H595 HydrophobicContact CD2-CB 3.91Å; L514-H595 HydrophobicContact CG-CB 4.4Å; Y557-H595 AromaticContact CE1-CD2 3.49Å; Y557-H595 VanDerWaalsContact CE1-CD2 3.49Å; Y557-H595 WeakPolarHBondContact CE1-CD2 3.46Å; Y557-H595 AromaticContact CE1-NE2 3.64Å; Y557-H595 AromaticContact CZ-CD2 3.34Å; Y557-H595 AromaticContact CZ-NE2 3.57Å; Y557-H595 PolarHBondContact OH-CD2 3.01Å; Y557-H595 PolarHBondContact OH-NE2 3.23Å; A591-H595 WeakPolarHBondContact O-CB 3.48Å; A591-H595 PolarHBondContact O-N 2.94Å; A591-H595 VanDerWaalsContact O-N 3.13Å; H595-Y597 PolarHBondContact O-N 3.4Å; H595-K598 PolarHBondContact O-N 3.48Å; H595-N599 PolarHBondContact CE1-ND2 3.45Å; H595-N599 PolarHBondContact NE2-ND2 2.8Å; H595-N599 WeakPolarHBondContact O-CB 3.39Å; H595-N599 PolarHBondContact O-N 3.25Å; H595-N599 PolarHBondContact O-ND2 2.82Å |
| 596 | T | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 176.8 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | I354 M395 K482 A483 Y557 L592 M593 K598 N599 | I354-T596 HydrophobicContact CG1-CG2 4.3Å; M395-T596 HydrophobicContact CE-CG2 3.68Å; M395-T596 HydrophobicContact SD-CG2 4.23Å; K482-T596 HydrophobicContact CB-CG2 3.64Å; A483-T596 HydrophobicContact CB-CG2 3.95Å; Y557-T596 HydrophobicContact CD2-CG2 3.83Å; Y557-T596 VanDerWaalsContact CD2-OG1 3.27Å; Y557-T596 WeakPolarHBondContact CD2-OG1 3.35Å; Y557-T596 HydrophobicContact CE2-CG2 4.25Å; L592-T596 WeakPolarHBondContact O-CB 3.4Å; L592-T596 PolarHBondContact O-N 2.92Å; L592-T596 PolarHBondContact O-OG1 2.78Å; M593-T596 WeakPolarHBondContact O-CB 2.95Å; M593-T596 PolarHBondContact O-N 3Å; T596-K598 VanDerWaalsContact C-N 3.33Å; T596-K598 PolarHBondContact O-N 2.8Å; T596-N599 CarbonylContact O-C 3.55Å; T596-N599 PolarHBondContact O-N 2.92Å |
| 597 | Y | 97.8 | Very high | 95.5 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 29% | 0.286 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.3 | -40.8 | 177.1 | 162.2 | -115.5 | 0 | 0 | 0 | 112.6 | A390 I391 N394 M593 D594 H595 N599 | A390-Y597 HydrophobicContact CB-CE1 3.98Å; I391-Y597 HydrophobicContact CG1-CD1 4.36Å; I391-Y597 HydrophobicContact CG1-CG 4.17Å; N394-Y597 HydrophobicContact CB-CD2 3.99Å; N394-Y597 HydrophobicContact CB-CE2 3.65Å; N394-Y597 WeakPolarHBondContact ND2-CE2 3.28Å; M593-Y597 WeakPolarHBondContact O-CB 3.41Å; M593-Y597 PolarHBondContact O-N 3.03Å; D594-Y597 PolarHBondContact O-N 2.78Å; H595-Y597 PolarHBondContact O-N 3.4Å; Y597-N599 VanDerWaalsContact C-N 3.31Å; Y597-N599 PolarHBondContact O-N 3.21Å |
| 598 | K | 97.8 | Very high | 95.2 | Very high | 125 Ų | 125 | 41.3 Ų | 41.3 | 54% | 0.543 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -76.6 | -16.9 | -179.9 | -72.2 | 170.1 | 179.8 | 164.4 | 0 | 113.8 | D594 H595 T596 P600 | D594-K598 WeakPolarHBondContact O-CB 3.45Å; D594-K598 WeakPolarHBondContact O-CG 3.47Å; D594-K598 PolarHBondContact O-N 3.37Å; D594-K598 WeakPolarHBondContact OD1-CE 3.39Å; D594-K598 IonicContact OD1-NZ 2.87Å; D594-K598 PolarHBondContact OD1-NZ 2.8Å; D594-K598 WeakPolarHBondContact OD2-CE 3.21Å; D594-K598 IonicContact OD2-NZ 3.47Å; D594-K598 PolarHBondContact OD2-NZ 2.9Å; H595-K598 PolarHBondContact O-N 3.48Å; T596-K598 VanDerWaalsContact C-N 3.33Å; T596-K598 PolarHBondContact O-N 2.8Å; K598-P600 VanDerWaalsContact C-CD 3.43Å |
| 599 | N | 96.9 | Very high | 95 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -129.2 | 61.7 | -177.5 | -58.6 | -83 | 0 | 0 | 0 | 111.5 | Y557 H595 T596 Y597 Y601 | Y557-N599 VanDerWaalsContact OH-CB 3.24Å; Y557-N599 WeakPolarHBondContact OH-CB 3.26Å; H595-N599 PolarHBondContact CE1-ND2 3.45Å; H595-N599 PolarHBondContact NE2-ND2 2.8Å; H595-N599 WeakPolarHBondContact O-CB 3.39Å; H595-N599 PolarHBondContact O-N 3.25Å; H595-N599 PolarHBondContact O-ND2 2.82Å; T596-N599 CarbonylContact O-C 3.55Å; T596-N599 PolarHBondContact O-N 2.92Å; Y597-N599 VanDerWaalsContact C-N 3.31Å; Y597-N599 PolarHBondContact O-N 3.21Å; N599-Y601 WeakPolarHBondContact O-CD1 3.37Å; N599-Y601 PolarHBondContact O-N 2.89Å; N599-Y601 VanDerWaalsContact O-N 3.12Å |
| 600 | P | 78.8 | Confident | 94.6 | Very high | 88 Ų | 88 | 48.2 Ų | 48.2 | 57% | 0.571 | 23% | 0.231 | S | C | * | . | trans | -74.8 | 103.6 | 179.9 | 31.1 | -32.1 | 0 | 0 | 0 | 109.6 | K598 | K598-P600 VanDerWaalsContact C-CD 3.43Š| ||
| 601 | Y | 73.7 | Confident | 94.2 | Very high | 113 Ų | 113 | 50.1 Ų | 50.1 | 44% | 0.443 | 24% | 0.24 | S | C | . | . | trans | -97.6 | 0 | 173.8 | 52 | -105.8 | 0 | 0 | 0 | 113 | K482 K556 Y557 N599 | K482-Y601 WeakPolarHBondContact CD-O 3.33Å; K482-Y601 WeakPolarHBondContact CE-O 3.46Å; K482-Y601 PolarHBondContact NZ-O 2.97Å; K482-Y601 PolarHBondContact O-OH 3.29Å; K556-Y601 VanDerWaalsContact CA-OH 3.28Å; K556-Y601 WeakPolarHBondContact CA-OH 3.5Å; K556-Y601 HydrophobicContact CB-CE1 3.82Å; K556-Y601 HydrophobicContact CB-CE2 3.78Å; K556-Y601 WeakPolarHBondContact CB-OH 3.35Å; K556-Y601 HydrophobicContact CD-CD1 3.87Å; K556-Y601 HydrophobicContact CD-CE1 3.42Å; K556-Y601 VanDerWaalsContact CD-CE1 3.42Å; K556-Y601 HydrophobicContact CG-CD1 4.46Å; K556-Y601 HydrophobicContact CG-CE1 3.54Å; K556-Y601 HydrophobicContact CG-CE2 4.43Å; K556-Y601 PolarHBondContact N-OH 3.22Å; Y557-Y601 AromaticContact CD2-CE1 3.6Å; Y557-Y601 HydrophobicContact CD2-CE1 3.6Å; Y557-Y601 AromaticContact CD2-CZ 3.76Å; Y557-Y601 WeakPolarHBondContact CD2-OH 3.38Å; Y557-Y601 HydrophobicContact CE1-CE1 4.22Å; Y557-Y601 HydrophobicContact CE2-CD1 4.03Å; Y557-Y601 AromaticContact CE2-CE1 3.16Å; Y557-Y601 HydrophobicContact CE2-CE1 3.16Å; Y557-Y601 AromaticContact CE2-CZ 3.82Å; Y557-Y601 HydrophobicContact CG-CE1 4.3Å; Y557-Y601 AromaticContact CZ-CE1 3.47Å; Y557-Y601 VanDerWaalsContact CZ-CE1 3.47Å; Y557-Y601 PolarHBondContact N-OH 3.34Å; N599-Y601 WeakPolarHBondContact O-CD1 3.37Å; N599-Y601 PolarHBondContact O-N 2.89Å; N599-Y601 VanDerWaalsContact O-N 3.12Å |
Retrieved 601 of 601 residues in 681.9 ms
(Link to these results)