| 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 | E | 31.9 | Very low | 33.9 | Very low | 222 Ų | 222 | 124.6 Ų | 124.6 | 100% | 1.037 | 66% | 0.661 | S | S | * | * | 0 | 146.9 | 0 | -59.2 | 99.9 | 131.4 | 0 | 0 | 110.1 | |||||
| 2 | T | 24.8 | Very low | 35.7 | Very low | 139 Ų | 139 | 120.5 Ų | 120.5 | 85% | 0.853 | 63% | 0.633 | S | S | * | * | trans | -101.2 | 102.8 | -179.5 | 25.9 | 0 | 0 | 0 | 0 | 111.7 | S4 | T2-S4 PolarHBondContact O-N 3.23Š| ||
| 3 | F | 24.9 | Very low | 37.1 | Very low | 188 Ų | 188 | 115.3 Ų | 115.3 | 83% | 0.825 | 61% | 0.613 | S | S | * | * | trans | -75.2 | 79.2 | -176.7 | -97.8 | -74.7 | 0 | 0 | 0 | 113.5 | V5 | F3-V5 HydrophobicContact CB-CG2 4.23Å; F3-V5 HydrophobicContact CD1-CG2 3.63Å; F3-V5 HydrophobicContact CE1-CG2 4.48Å; F3-V5 HydrophobicContact CG-CG2 4.37Å; F3-V5 PolarHBondContact O-N 3Å | ||
| 4 | S | 24.9 | Very low | 38.7 | Very low | 121 Ų | 121 | 108.8 Ų | 108.8 | 85% | 0.846 | 58% | 0.58 | S | S | * | * | trans | -72.6 | 64.6 | 165.6 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | T2 L6 | T2-S4 PolarHBondContact O-N 3.23Å; S4-L6 PolarHBondContact O-N 3.36Å | ||
| 5 | V | 30.8 | Very low | 40 | Very low | 73 Ų | 73 | 101.9 Ų | 101.9 | 44% | 0.442 | 54% | 0.544 | S | S | . | . | trans | -73 | 108.2 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | F3 F7 | F3-V5 HydrophobicContact CB-CG2 4.23Å; F3-V5 HydrophobicContact CD1-CG2 3.63Å; F3-V5 HydrophobicContact CE1-CG2 4.48Å; F3-V5 HydrophobicContact CG-CG2 4.37Å; F3-V5 PolarHBondContact O-N 3Å; V5-F7 VanDerWaalsContact C-N 3.28Å; V5-F7 HydrophobicContact CB-CD2 3.92Å; V5-F7 HydrophobicContact CB-CE2 3.65Å; V5-F7 HydrophobicContact CB-CZ 4.26Å; V5-F7 HydrophobicContact CG1-CD1 4.28Å; V5-F7 HydrophobicContact CG1-CD2 3.71Å; V5-F7 HydrophobicContact CG1-CE1 4.19Å; V5-F7 HydrophobicContact CG1-CE2 3.62Å; V5-F7 HydrophobicContact CG1-CG 4.05Å; V5-F7 HydrophobicContact CG1-CZ 3.87Å; V5-F7 VanDerWaalsContact O-CD2 3.3Å; V5-F7 WeakPolarHBondContact O-CD2 3.37Å; V5-F7 PolarHBondContact O-N 2.96Å | ||
| 6 | L | 31.9 | Very low | 41.6 | Very low | 158 Ų | 158 | 101 Ų | 101 | 83% | 0.827 | 53% | 0.533 | S | S | * | . | trans | -72.6 | 81.5 | 173 | -152.3 | 85.9 | 0 | 0 | 0 | 109.9 | S4 V8 | S4-L6 PolarHBondContact O-N 3.36Å; L6-V8 PolarHBondContact O-N 3.4Å | ||
| 7 | F | 35.7 | Very low | 43 | Very low | 126 Ų | 126 | 99.1 Ų | 99.1 | 55% | 0.553 | 52% | 0.52 | S | S | * | . | trans | -63.3 | 102 | -177 | -80.9 | -85.7 | 0 | 0 | 0 | 112 | V5 F9 H20 | V5-F7 VanDerWaalsContact C-N 3.28Å; V5-F7 HydrophobicContact CB-CD2 3.92Å; V5-F7 HydrophobicContact CB-CE2 3.65Å; V5-F7 HydrophobicContact CB-CZ 4.26Å; V5-F7 HydrophobicContact CG1-CD1 4.28Å; V5-F7 HydrophobicContact CG1-CD2 3.71Å; V5-F7 HydrophobicContact CG1-CE1 4.19Å; V5-F7 HydrophobicContact CG1-CE2 3.62Å; V5-F7 HydrophobicContact CG1-CG 4.05Å; V5-F7 HydrophobicContact CG1-CZ 3.87Å; V5-F7 VanDerWaalsContact O-CD2 3.3Å; V5-F7 WeakPolarHBondContact O-CD2 3.37Å; V5-F7 PolarHBondContact O-N 2.96Å; F7-F9 HydrophobicContact CB-CD2 4.02Å; F7-F9 HydrophobicContact CB-CE2 3.47Å; F7-F9 VanDerWaalsContact CB-CE2 3.47Å; F7-F9 HydrophobicContact CB-CZ 4.07Å; F7-F9 HydrophobicContact CG-CE2 4.36Å; F7-F9 WeakPolarHBondContact O-CD2 3.41Å; F7-F9 PolarHBondContact O-N 3.1Å; F7-H20 AromaticContact CD1-CD2 3.88Å; F7-H20 AromaticContact CD1-NE2 3.95Å | ||
| 8 | V | 37.4 | Very low | 44.4 | Very low | 92 Ų | 92 | 100.1 Ų | 100.1 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | trans | -75.7 | 92.7 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | L6 K21 | L6-V8 PolarHBondContact O-N 3.4Å; V8-K21 HydrophobicContact CG1-CD 4.5Å; V8-K21 PolarHBondContact O-N 3.11Å | ||
| 9 | F | 43.8 | Very low | 45.5 | Very low | 103 Ų | 103 | 95.4 Ų | 95.4 | 45% | 0.452 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.3 | 169.8 | -65.6 | -86.1 | 0 | 0 | 0 | 111.4 | F7 A19 H20 | F7-F9 HydrophobicContact CB-CD2 4.02Å; F7-F9 HydrophobicContact CB-CE2 3.47Å; F7-F9 VanDerWaalsContact CB-CE2 3.47Å; F7-F9 HydrophobicContact CB-CZ 4.07Å; F7-F9 HydrophobicContact CG-CE2 4.36Å; F7-F9 WeakPolarHBondContact O-CD2 3.41Å; F7-F9 PolarHBondContact O-N 3.1Å; F9-A19 CarbonylContact C-O 3.6Å; F9-A19 WeakPolarHBondContact CA-O 3.32Å; F9-H20 AromaticContact CD1-CD2 3.74Å; F9-H20 AromaticContact CE1-CD2 3.22Å; F9-H20 WeakPolarHBondContact CE1-CD2 3.47Å; F9-H20 AromaticContact CE1-NE2 3.31Å; F9-H20 VanDerWaalsContact CE1-NE2 3.31Å; F9-H20 WeakPolarHBondContact CE1-NE2 3.47Å; F9-H20 AromaticContact CZ-CD2 3.71Å; F9-H20 AromaticContact CZ-NE2 3.61Å |
| 10 | L | 41.5 | Very low | 46.9 | Very low | 84 Ų | 84 | 94.5 Ų | 94.5 | 44% | 0.44 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 129.6 | 159.3 | -73.5 | 172.3 | 0 | 0 | 0 | 108.6 | K18 A19 K21 A24 | L10-K18 WeakPolarHBondContact O-CA 3.05Å; L10-A19 PolarHBondContact N-O 3.16Å; L10-A19 PolarHBondContact O-N 3.14Å; L10-K21 HydrophobicContact CD1-CB 4.5Å; L10-K21 HydrophobicContact CD1-CG 4.22Å; L10-K21 HydrophobicContact CG-CB 4.47Å; L10-K21 HydrophobicContact CG-CG 4.5Å; L10-A24 HydrophobicContact CB-CB 4.39Å; L10-A24 HydrophobicContact CD1-CB 3.65Å |
| 11 | C | 45.4 | Very low | 48 | Very low | 65 Ų | 65 | 96.8 Ų | 96.8 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116.2 | -179.5 | -178 | 0 | 0 | 0 | 0 | 109.4 | S13 F17 K18 | C11-S13 PolarHBondContact O-N 3.39Å; C11-F17 WeakPolarHBondContact CA-O 3.48Å; C11-K18 HydrophobicContact CB-CG 4.14Å |
| 12 | F | 55.3 | Low | 50 | Low | 75 Ų | 75 | 97.5 Ų | 97.5 | 33% | 0.329 | 49% | 0.489 | S | S | . | . | trans | -68.1 | 120.3 | 176.8 | -76.7 | -95 | 0 | 0 | 0 | 109.7 | V14 C15 K16 F17 | F12-V14 PolarHBondContact O-N 3.09Å; F12-V14 VanDerWaalsContact O-N 3.12Å; F12-C15 WeakPolarHBondContact CB-SG 3.48Å; F12-K16 VanDerWaalsContact O-CA 3.27Å; F12-K16 WeakPolarHBondContact O-CA 3.45Å; F12-K16 PolarHBondContact O-N 3Å; F12-F17 HydrophobicContact CD2-CB 4.44Å; F12-F17 AromaticContact CD2-CD1 3.89Å; F12-F17 HydrophobicContact CD2-CD1 3.89Å; F12-F17 HydrophobicContact CE2-CD1 4.13Å; F12-F17 PolarHBondContact N-O 3.41Å | ||
| 13 | S | 54.4 | Low | 52.2 | Low | 53 Ų | 53 | 93.7 Ų | 93.7 | 37% | 0.371 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.1 | -170.2 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | C11 Q162 | C11-S13 PolarHBondContact O-N 3.39Å; S13-Q162 WeakPolarHBondContact O-CG 3.46Å; S13-Q162 PolarHBondContact O-NE2 3.01Å |
| 14 | V | 59.5 | Low | 54.2 | Low | 24 Ų | 24 | 85.6 Ų | 85.6 | 15% | 0.145 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -56.8 | -175.2 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | F12 K32 K161 Q162 P166 | F12-V14 PolarHBondContact O-N 3.09Å; F12-V14 VanDerWaalsContact O-N 3.12Å; V14-K32 HydrophobicContact CG1-CB 3.86Å; V14-K161 HydrophobicContact CG2-CB 4.02Å; V14-Q162 WeakPolarHBondContact O-CG 3.48Å; V14-P166 HydrophobicContact CG1-CG 3.64Å |
| 15 | C | 58.5 | Low | 56.1 | Low | 6 Ų | 6 | 86.4 Ų | 86.4 | 4% | 0.041 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.3 | -178.5 | 56.6 | 0 | 0 | 0 | 0 | 114.2 | F12 F17 L57 L86 | F12-C15 WeakPolarHBondContact CB-SG 3.48Å; C15-F17 PolarHBondContact O-N 3.38Å; C15-F17 VanDerWaalsContact SG-CB 3.6Å; C15-L57 WeakPolarHBondContact O-CD2 3.3Å; C15-L86 HydrophobicContact CB-CD1 4.16Å; C15-L86 HydrophobicContact CB-CD2 4.27Å |
| 16 | K | 65.4 | Low | 57.8 | Low | 87 Ų | 87 | 94 Ų | 94 | 38% | 0.378 | 46% | 0.456 | S | S | . | . | trans | 61.5 | 9.5 | -172.3 | -61.9 | -69.6 | -158.5 | -176.5 | 0 | 115.1 | F12 K18 Q162 | F12-K16 VanDerWaalsContact O-CA 3.27Å; F12-K16 WeakPolarHBondContact O-CA 3.45Å; F12-K16 PolarHBondContact O-N 3Å; K16-K18 PolarHBondContact O-N 3.02Å; K16-Q162 VanDerWaalsContact CE-CD 3.49Å | ||
| 17 | F | 65.4 | Low | 59.3 | Low | 69 Ų | 69 | 88 Ų | 88 | 30% | 0.303 | 43% | 0.428 | S | S | . | . | trans | -59.3 | 130.9 | 172.5 | -178.5 | -102.5 | 0 | 0 | 0 | 110.5 | C11 F12 C15 A19 A27 L57 | C11-F17 WeakPolarHBondContact CA-O 3.48Å; F12-F17 HydrophobicContact CD2-CB 4.44Å; F12-F17 AromaticContact CD2-CD1 3.89Å; F12-F17 HydrophobicContact CD2-CD1 3.89Å; F12-F17 HydrophobicContact CE2-CD1 4.13Å; F12-F17 PolarHBondContact N-O 3.41Å; C15-F17 PolarHBondContact O-N 3.38Å; C15-F17 VanDerWaalsContact SG-CB 3.6Å; F17-A19 HydrophobicContact CE1-CB 3.88Å; F17-A27 HydrophobicContact CE1-CB 3.72Å; F17-A27 HydrophobicContact CZ-CB 4.16Å; F17-L57 HydrophobicContact CD2-CD1 4.29Å | ||
| 18 | K | 67.4 | Low | 60.4 | Low | 117 Ų | 117 | 86.9 Ų | 86.9 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.2 | -179.2 | -66.2 | 170.3 | -175.2 | 160.6 | 0 | 109.4 | L10 C11 K16 N60 | L10-K18 WeakPolarHBondContact O-CA 3.05Å; C11-K18 HydrophobicContact CB-CG 4.14Å; K16-K18 PolarHBondContact O-N 3.02Å; K18-N60 PolarHBondContact NZ-OD1 2.86Å |
| 19 | A | 66.4 | Low | 61.4 | Low | 10 Ų | 10 | 88.6 Ų | 88.6 | 8% | 0.083 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | F9 L10 F17 A24 | F9-A19 CarbonylContact C-O 3.6Å; F9-A19 WeakPolarHBondContact CA-O 3.32Å; L10-A19 PolarHBondContact N-O 3.16Å; L10-A19 PolarHBondContact O-N 3.14Å; F17-A19 HydrophobicContact CE1-CB 3.88Å; A19-A24 HydrophobicContact CB-CB 4.29Å |
| 20 | H | 72.5 | Confident | 62.3 | Low | 77 Ų | 77 | 89 Ų | 89 | 36% | 0.356 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 147.1 | 169.1 | -53.4 | 120.4 | 0 | 0 | 0 | 110.2 | F7 F9 R22 C23 A24 | F7-H20 AromaticContact CD1-CD2 3.88Å; F7-H20 AromaticContact CD1-NE2 3.95Å; F9-H20 AromaticContact CD1-CD2 3.74Å; F9-H20 AromaticContact CE1-CD2 3.22Å; F9-H20 WeakPolarHBondContact CE1-CD2 3.47Å; F9-H20 AromaticContact CE1-NE2 3.31Å; F9-H20 VanDerWaalsContact CE1-NE2 3.31Å; F9-H20 WeakPolarHBondContact CE1-NE2 3.47Å; F9-H20 AromaticContact CZ-CD2 3.71Å; F9-H20 AromaticContact CZ-NE2 3.61Å; H20-R22 PolarHBondContact O-N 3.49Å; H20-C23 HydrophobicContact CB-CB 4.11Å; H20-C23 WeakPolarHBondContact O-CA 3.38Å; H20-C23 PolarHBondContact O-N 3.45Å; H20-A24 PolarHBondContact O-N 3.21Å |
| 21 | K | 70.7 | Confident | 63.5 | Low | 143 Ų | 143 | 86.8 Ų | 86.8 | 62% | 0.622 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -35.3 | 178.7 | -173.6 | 176.4 | 178.5 | -178.4 | 0 | 113.6 | V8 L10 | V8-K21 HydrophobicContact CG1-CD 4.5Å; V8-K21 PolarHBondContact O-N 3.11Å; L10-K21 HydrophobicContact CD1-CB 4.5Å; L10-K21 HydrophobicContact CD1-CG 4.22Å; L10-K21 HydrophobicContact CG-CB 4.47Å; L10-K21 HydrophobicContact CG-CG 4.5Å |
| 22 | R | 72.8 | Confident | 65 | Low | 237 Ų | 237 | 84 Ų | 84 | 89% | 0.894 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -26.2 | 175.6 | -64 | -178.3 | -179.2 | 171.2 | -0 | 114.2 | H20 | H20-R22 PolarHBondContact O-N 3.49Š|
| 23 | C | 71.2 | Confident | 66.2 | Low | 59 Ų | 59 | 82.3 Ų | 82.3 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -22.5 | -178.3 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | H20 V25 R26 A27 | H20-C23 HydrophobicContact CB-CB 4.11Å; H20-C23 WeakPolarHBondContact O-CA 3.38Å; H20-C23 PolarHBondContact O-N 3.45Å; C23-V25 VanDerWaalsContact C-N 3.25Å; C23-V25 PolarHBondContact O-N 3.4Å; C23-R26 CarbonylContact O-C 3.55Å; C23-R26 WeakPolarHBondContact O-CA 3.5Å; C23-R26 PolarHBondContact O-N 3.43Å; C23-A27 PolarHBondContact O-N 3.09Å; C23-A27 VanDerWaalsContact O-N 3.13Å |
| 24 | A | 66.3 | Low | 67.3 | Low | 19 Ų | 19 | 82 Ų | 82 | 16% | 0.157 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -58.6 | -31.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | L10 A19 H20 R26 A27 | L10-A24 HydrophobicContact CB-CB 4.39Å; L10-A24 HydrophobicContact CD1-CB 3.65Å; A19-A24 HydrophobicContact CB-CB 4.29Å; H20-A24 PolarHBondContact O-N 3.21Å; A24-R26 VanDerWaalsContact C-N 3.26Å; A24-R26 PolarHBondContact O-N 3.35Å; A24-A27 PolarHBondContact O-N 3.36Å |
| 25 | V | 66.2 | Low | 68 | Low | 138 Ų | 138 | 81.3 Ų | 81.3 | 84% | 0.836 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -71.1 | -21.8 | 175.9 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | C23 | C23-V25 VanDerWaalsContact C-N 3.25Å; C23-V25 PolarHBondContact O-N 3.4Å |
| 26 | R | 65.8 | Low | 68.5 | Low | 233 Ų | 233 | 83 Ų | 83 | 88% | 0.879 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -102.5 | 4 | 176.6 | -68.5 | -179.6 | 60.7 | -173.1 | -2 | 113.1 | C23 A24 | C23-R26 CarbonylContact O-C 3.55Å; C23-R26 WeakPolarHBondContact O-CA 3.5Å; C23-R26 PolarHBondContact O-N 3.43Å; A24-R26 VanDerWaalsContact C-N 3.26Å; A24-R26 PolarHBondContact O-N 3.35Å |
| 27 | A | 63 | Low | 68.6 | Low | 30 Ų | 30 | 83 Ų | 83 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -83 | 137.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | F17 C23 A24 N29 | F17-A27 HydrophobicContact CE1-CB 3.72Å; F17-A27 HydrophobicContact CZ-CB 4.16Å; C23-A27 PolarHBondContact O-N 3.09Å; C23-A27 VanDerWaalsContact O-N 3.13Å; A24-A27 PolarHBondContact O-N 3.36Å; A27-N29 PolarHBondContact O-N 3.18Å |
| 28 | T | 60.2 | Low | 68.7 | Low | 103 Ų | 103 | 81.8 Ų | 81.8 | 63% | 0.632 | 42% | 0.424 | S | S | * | . | trans | -62.9 | 128.3 | 171.2 | 42.9 | 0 | 0 | 0 | 0 | 109.8 | N30 | T28-N30 PolarHBondContact O-N 2.94Š| ||
| 29 | N | 57.7 | Low | 68.9 | Low | 129 Ų | 129 | 76.5 Ų | 76.5 | 69% | 0.69 | 40% | 0.401 | S | S | * | . | trans | -79.9 | 50.7 | -174.7 | -168.7 | 17.6 | 0 | 0 | 0 | 112.1 | A27 C31 | A27-N29 PolarHBondContact O-N 3.18Å; N29-C31 PolarHBondContact O-N 3.18Å | ||
| 30 | N | 61.8 | Low | 69 | Low | 112 Ų | 112 | 78 Ų | 78 | 60% | 0.599 | 42% | 0.418 | S | S | * | . | trans | -79.2 | 52 | -177.4 | -64.4 | 12 | 0 | 0 | 0 | 110.4 | T28 | T28-N30 PolarHBondContact O-N 2.94Š| ||
| 31 | C | 67.4 | Low | 68.4 | Low | 36 Ų | 36 | 84.1 Ų | 84.1 | 24% | 0.243 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 164.7 | 174.6 | -159.7 | 0 | 0 | 0 | 0 | 110.4 | N29 W33 Q55 | N29-C31 PolarHBondContact O-N 3.18Å; C31-W33 PolarHBondContact O-N 3.25Å; C31-Q55 PolarHBondContact O-NE2 2.97Å |
| 32 | K | 77.4 | Confident | 68.2 | Low | 8 Ų | 8 | 82.1 Ų | 82.1 | 4% | 0.035 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 127.2 | 179.7 | -173 | 176.3 | -178.9 | -175.4 | 0 | 109.9 | V14 L86 W87 Q162 L163 L164 | V14-K32 HydrophobicContact CG1-CB 3.86Å; K32-L86 HydrophobicContact CB-CD1 4.36Å; K32-L86 HydrophobicContact CG-CB 4.48Å; K32-W87 HydrophobicContact CD-CH2 4.36Å; K32-W87 HydrophobicContact CD-CZ2 4.19Å; K32-W87 VanDerWaalsContact CE-CE3 3.42Å; K32-W87 VanDerWaalsContact CE-CH2 3.46Å; K32-W87 HydrophobicContact CG-CH2 4.18Å; K32-W87 HydrophobicContact CG-CZ2 3.59Å; K32-Q162 PolarHBondContact NZ-O 3.12Å; K32-L163 PolarHBondContact NZ-O 3Å; K32-L164 PolarHBondContact NZ-O 2.81Å |
| 33 | W | 80.8 | Confident | 68.3 | Low | 39 Ų | 39 | 73.1 Ų | 73.1 | 15% | 0.148 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -55 | 152.9 | 177.9 | -63.5 | -40 | 0 | 0 | 0 | 111.5 | C31 S38 I39 M52 P53 Q55 W87 P116 | C31-W33 PolarHBondContact O-N 3.25Å; W33-S38 PolarHBondContact NE1-O 2.99Å; W33-I39 HydrophobicContact CB-CG1 4.45Å; W33-I39 HydrophobicContact CD2-CG1 4.06Å; W33-I39 HydrophobicContact CE3-CG1 3.96Å; W33-I39 HydrophobicContact CG-CG1 4.31Å; W33-I39 HydrophobicContact CH2-CG2 4.48Å; W33-I39 HydrophobicContact CZ3-CG2 4.46Å; W33-M52 HydrophobicContact CE3-CE 3.85Å; W33-M52 HydrophobicContact CZ3-CE 4.04Å; W33-P53 HydrophobicContact CH2-CG 3.86Å; W33-P53 HydrophobicContact CZ3-CG 3.94Å; W33-Q55 HydrophobicContact CD2-CB 4.19Å; W33-Q55 VanDerWaalsContact CD2-CD 3.42Å; W33-Q55 HydrophobicContact CD2-CG 3.83Å; W33-Q55 HydrophobicContact CE3-CB 3.7Å; W33-Q55 HydrophobicContact CE3-CG 3.87Å; W33-Q55 HydrophobicContact CH2-CB 4.01Å; W33-Q55 HydrophobicContact CH2-CG 3.99Å; W33-Q55 HydrophobicContact CZ2-CB 4.47Å; W33-Q55 HydrophobicContact CZ2-CG 3.95Å; W33-Q55 HydrophobicContact CZ3-CB 3.6Å; W33-Q55 HydrophobicContact CZ3-CG 3.95Å; W33-W87 HydrophobicContact CB-CZ2 4.16Å; W33-W87 WeakPolarHBondContact O-CH2 3.44Å; W33-W87 WeakPolarHBondContact O-CZ2 3.44Å; W33-P116 HydrophobicContact CB-CB 4.45Å; W33-P116 HydrophobicContact CB-CG 4.05Å |
| 34 | T | 75.9 | Confident | 68.5 | Low | 47 Ų | 47 | 72.1 Ų | 72.1 | 29% | 0.288 | 40% | 0.399 | S | S | . | . | trans | -129.1 | -37.9 | -176.2 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | S38 L119 N165 P166 | T34-S38 PolarHBondContact N-OG 3.45Å; T34-L119 VanDerWaalsContact O-CD1 3.27Å; T34-L119 WeakPolarHBondContact O-CD1 3.34Å; T34-N165 PolarHBondContact O-ND2 2.93Å; T34-P166 HydrophobicContact CG2-CB 3.94Å; T34-P166 HydrophobicContact CG2-CG 4.05Å | ||
| 35 | T | 74.9 | Confident | 68.8 | Low | 9 Ų | 9 | 78.6 Ų | 78.6 | 6% | 0.055 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -137.2 | 167.9 | -175.4 | 64.2 | 0 | 0 | 0 | 0 | 111.6 | A37 S38 P116 L119 W128 | T35-A37 VanDerWaalsContact C-N 3.29Å; T35-A37 PolarHBondContact O-N 2.86Å; T35-S38 PolarHBondContact N-OG 2.64Å; T35-S38 VanDerWaalsContact N-OG 3.08Å; T35-S38 WeakPolarHBondContact O-CB 3.49Å; T35-S38 PolarHBondContact O-N 2.83Å; T35-S38 PolarHBondContact O-OG 2.82Å; T35-P116 CarbonylContact C-O 3.52Å; T35-P116 VanDerWaalsContact C-O 3.31Å; T35-L119 HydrophobicContact CG2-CB 3.96Å; T35-W128 HydrophobicContact CG2-CD2 3.95Å; T35-W128 HydrophobicContact CG2-CE3 3.76Å; T35-W128 HydrophobicContact CG2-CH2 3.75Å; T35-W128 HydrophobicContact CG2-CZ2 3.93Å; T35-W128 HydrophobicContact CG2-CZ3 3.66Å |
| 36 | L | 70.1 | Confident | 68.9 | Low | 41 Ų | 41 | 75 Ų | 75 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.8 | -44.3 | -178 | -175.9 | 70.9 | 0 | 0 | 0 | 111.5 | S38 I39 G40 I43 P116 T117 L119 N120 | L36-S38 PolarHBondContact O-N 2.94Å; L36-S38 VanDerWaalsContact O-N 3.1Å; L36-I39 PolarHBondContact O-N 3.33Å; L36-G40 PolarHBondContact O-N 2.7Å; L36-I43 HydrophobicContact CD1-CD1 3.72Å; L36-I43 HydrophobicContact CD1-CG1 4.48Å; L36-I43 HydrophobicContact CG-CD1 4.35Å; L36-P116 PolarHBondContact N-O 3.18Å; L36-T117 HydrophobicContact CD1-CG2 4.07Å; L36-L119 PolarHBondContact N-O 3.06Å; L36-L119 VanDerWaalsContact N-O 3.08Å; L36-N120 WeakPolarHBondContact CB-OD1 3.47Å; L36-N120 HydrophobicContact CD2-CB 4.42Å |
| 37 | A | 66.1 | Low | 68.3 | Low | 87 Ų | 87 | 73.9 Ų | 73.9 | 72% | 0.719 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.3 | -21.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | T35 | T35-A37 VanDerWaalsContact C-N 3.29Å; T35-A37 PolarHBondContact O-N 2.86Å |
| 38 | S | 68.8 | Low | 68.1 | Low | 43 Ų | 43 | 79.9 Ų | 79.9 | 30% | 0.301 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -84.6 | -16 | 175.8 | 71.9 | 0 | 0 | 0 | 0 | 114.3 | W33 T34 T35 L36 | W33-S38 PolarHBondContact NE1-O 2.99Å; T34-S38 PolarHBondContact N-OG 3.45Å; T35-S38 PolarHBondContact N-OG 2.64Å; T35-S38 VanDerWaalsContact N-OG 3.08Å; T35-S38 WeakPolarHBondContact O-CB 3.49Å; T35-S38 PolarHBondContact O-N 2.83Å; T35-S38 PolarHBondContact O-OG 2.82Å; L36-S38 PolarHBondContact O-N 2.94Å; L36-S38 VanDerWaalsContact O-N 3.1Å |
| 39 | I | 69.9 | Low | 68.4 | Low | 6 Ų | 6 | 76.7 Ų | 76.7 | 3% | 0.031 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -80.9 | -38.4 | 169.7 | -57.5 | 169.6 | 0 | 0 | 0 | 110 | W33 L36 K41 D42 I43 M52 P116 T117 | W33-I39 HydrophobicContact CB-CG1 4.45Å; W33-I39 HydrophobicContact CD2-CG1 4.06Å; W33-I39 HydrophobicContact CE3-CG1 3.96Å; W33-I39 HydrophobicContact CG-CG1 4.31Å; W33-I39 HydrophobicContact CH2-CG2 4.48Å; W33-I39 HydrophobicContact CZ3-CG2 4.46Å; L36-I39 PolarHBondContact O-N 3.33Å; I39-K41 PolarHBondContact O-N 2.66Å; I39-D42 HydrophobicContact CG2-CB 4.2Å; I39-I43 HydrophobicContact CB-CG1 4.23Å; I39-I43 HydrophobicContact CG2-CG1 3.71Å; I39-M52 HydrophobicContact CD1-CB 4Å; I39-P116 HydrophobicContact CD1-CB 3.92Å; I39-P116 HydrophobicContact CG1-CB 4.27Å; I39-T117 HydrophobicContact CD1-CG2 3.59Å |
| 40 | G | 68.6 | Low | 69.1 | Low | 41 Ų | 41 | 74.9 Ų | 74.9 | 42% | 0.423 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | -119.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L36 I43 | L36-G40 PolarHBondContact O-N 2.7Å; G40-I43 WeakPolarHBondContact O-CD1 3.49Å |
| 41 | K | 61.8 | Low | 69.7 | Low | 207 Ų | 207 | 70.6 Ų | 70.6 | 90% | 0.9 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.8 | -174.2 | -66 | -171.7 | 177.9 | -174.1 | 0 | 114.6 | I39 I43 | I39-K41 PolarHBondContact O-N 2.66Å; K41-I43 PolarHBondContact O-N 2.94Å |
| 42 | D | 65.9 | Low | 70.4 | Confident | 100 Ų | 100 | 69.3 Ų | 69.3 | 54% | 0.535 | 38% | 0.382 | S | S | . | . | trans | -84.5 | 12.6 | -173 | -56.4 | -28.9 | 0 | 0 | 0 | 113.1 | I39 P53 | I39-D42 HydrophobicContact CG2-CB 4.2Å; D42-P53 HydrophobicContact CB-CG 4.09Å; D42-P53 WeakPolarHBondContact O-CD 3.01Å; D42-P53 WeakPolarHBondContact O-CG 3.38Å | ||
| 43 | I | 75.1 | Confident | 70.8 | Confident | 48 Ų | 48 | 70 Ų | 70 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | trans | -67.3 | 142.1 | -178.6 | -63.1 | 168.4 | 0 | 0 | 0 | 110 | L36 I39 G40 K41 E45 I50 | L36-I43 HydrophobicContact CD1-CD1 3.72Å; L36-I43 HydrophobicContact CD1-CG1 4.48Å; L36-I43 HydrophobicContact CG-CD1 4.35Å; I39-I43 HydrophobicContact CB-CG1 4.23Å; I39-I43 HydrophobicContact CG2-CG1 3.71Å; G40-I43 WeakPolarHBondContact O-CD1 3.49Å; K41-I43 PolarHBondContact O-N 2.94Å; I43-E45 HydrophobicContact CG2-CG 4.02Å; I43-I50 HydrophobicContact CG2-CG2 3.59Å | ||
| 44 | I | 75.4 | Confident | 71 | Confident | 39 Ų | 39 | 68.7 Ų | 68.7 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.1 | 171.8 | -53.2 | 175.1 | 0 | 0 | 0 | 107.2 | D46 A51 P53 R102 K103 | I44-D46 WeakPolarHBondContact CG2-OD2 3.18Å; I44-A51 HydrophobicContact CB-CB 4.18Å; I44-A51 PolarHBondContact N-O 2.75Å; I44-A51 PolarHBondContact O-N 2.72Å; I44-A51 VanDerWaalsContact O-O 3.08Å; I44-P53 HydrophobicContact CD1-CB 4.14Å; I44-R102 HydrophobicContact CD1-CB 4.12Å; I44-K103 HydrophobicContact CD1-CG 4.16Å |
| 45 | E | 72 | Confident | 71.5 | Confident | 155 Ų | 155 | 67 Ų | 67 | 72% | 0.724 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.2 | 175.7 | -62 | -178 | 168.4 | 0 | 0 | 108.6 | I43 | I43-E45 HydrophobicContact CG2-CG 4.02Å |
| 46 | D | 67.6 | Low | 72.1 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 169.3 | -179.7 | -59.6 | -91.4 | 0 | 0 | 0 | 109.9 | I44 D48 G49 K103 | I44-D46 WeakPolarHBondContact CG2-OD2 3.18Å; D46-D48 PolarHBondContact O-N 2.77Å; D46-G49 PolarHBondContact N-O 2.81Å; D46-G49 VanDerWaalsContact N-O 3.16Å; D46-G49 WeakPolarHBondContact O-CA 3.25Å; D46-G49 PolarHBondContact O-N 2.98Å; D46-K103 WeakPolarHBondContact OD1-CE 3.1Å; D46-K103 IonicContact OD1-NZ 3.19Å; D46-K103 PolarHBondContact OD1-NZ 3.08Å; D46-K103 WeakPolarHBondContact OD2-CE 3.39Å; D46-K103 IonicContact OD2-NZ 2.72Å; D46-K103 PolarHBondContact OD2-NZ 3.39Å |
| 47 | E | 54.7 | Low | 72.8 | Confident | 211 Ų | 211 | 68.7 Ų | 68.7 | 99% | 0.986 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.8 | 173.5 | -60.4 | -165 | 151.2 | 0 | 0 | 113 | G49 | E47-G49 PolarHBondContact O-N 3.09Š|
| 48 | D | 57 | Low | 73.6 | Confident | 156 Ų | 156 | 69.1 Ų | 69.1 | 83% | 0.834 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -6.6 | 170 | -62.9 | -55.5 | 0 | 0 | 0 | 113.7 | D46 | D46-D48 PolarHBondContact O-N 2.77Š|
| 49 | G | 66.8 | Low | 74 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 107.9 | -159.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D46 E47 A51 | D46-G49 PolarHBondContact N-O 2.81Å; D46-G49 VanDerWaalsContact N-O 3.16Å; D46-G49 WeakPolarHBondContact O-CA 3.25Å; D46-G49 PolarHBondContact O-N 2.98Å; E47-G49 PolarHBondContact O-N 3.09Å; G49-A51 PolarHBondContact O-N 3.04Å |
| 50 | I | 73.2 | Confident | 74.1 | Confident | 91 Ų | 91 | 70.4 Ų | 70.4 | 47% | 0.467 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 109.9 | -170.4 | -56.4 | 178.6 | 0 | 0 | 0 | 111.4 | I43 T117 | I43-I50 HydrophobicContact CG2-CG2 3.59Å; I50-T117 HydrophobicContact CG2-CG2 3.99Å |
| 51 | A | 73.3 | Confident | 74.7 | Confident | 23 Ų | 23 | 70 Ų | 70 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 155.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I44 G49 K103 | I44-A51 HydrophobicContact CB-CB 4.18Å; I44-A51 PolarHBondContact N-O 2.75Å; I44-A51 PolarHBondContact O-N 2.72Å; I44-A51 VanDerWaalsContact O-O 3.08Å; G49-A51 PolarHBondContact O-N 3.04Å; A51-K103 HydrophobicContact CB-CD 4.3Å; A51-K103 HydrophobicContact CB-CG 4.44Å |
| 52 | M | 82.7 | Confident | 75.4 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.039 | 34% | 0.336 | C | S | . | . | trans | -109.5 | 144.8 | 174 | 64.8 | 165.7 | -72.9 | 0 | 0 | 111.8 | W33 I39 W87 C104 L106 P116 T117 | W33-M52 HydrophobicContact CE3-CE 3.85Å; W33-M52 HydrophobicContact CZ3-CE 4.04Å; I39-M52 HydrophobicContact CD1-CB 4Å; M52-W87 HydrophobicContact CE-CD2 4.16Å; M52-W87 HydrophobicContact CE-CG 3.96Å; M52-C104 HydrophobicContact CG-CB 4.42Å; M52-C104 PolarHBondContact O-N 2.9Å; M52-L106 HydrophobicContact SD-CD2 3.81Å; M52-P116 HydrophobicContact SD-CG 4.35Å; M52-T117 HydrophobicContact CB-CG2 4.09Å | ||
| 53 | P | 85.8 | Confident | 75.7 | Confident | 23 Ų | 23 | 65.2 Ų | 65.2 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -76.8 | 170.6 | 176.6 | 35.7 | -40 | 0 | 0 | 0 | 111.5 | W33 D42 I44 Q55 R102 | W33-P53 HydrophobicContact CH2-CG 3.86Å; W33-P53 HydrophobicContact CZ3-CG 3.94Å; D42-P53 HydrophobicContact CB-CG 4.09Å; D42-P53 WeakPolarHBondContact O-CD 3.01Å; D42-P53 WeakPolarHBondContact O-CG 3.38Å; I44-P53 HydrophobicContact CD1-CB 4.14Å; P53-Q55 PolarHBondContact O-N 2.73Å; P53-R102 VanDerWaalsContact CA-O 3.3Å; P53-R102 WeakPolarHBondContact CA-O 2.9Å |
| 54 | H | 85.9 | Confident | 75.9 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.056 | 37% | 0.373 | C | S | . | . | trans | -68 | 111.9 | 168.7 | -76.6 | -96.1 | 0 | 0 | 0 | 111.9 | W56 C85 C88 Y100 P101 R102 K103 C104 | H54-W56 HydrophobicContact CB-CD2 4.12Å; H54-W56 HydrophobicContact CB-CG 4.43Å; H54-W56 HydrophobicContact CB-CH2 4.49Å; H54-W56 HydrophobicContact CB-CZ2 3.61Å; H54-W56 VanDerWaalsContact CB-NE1 3.3Å; H54-W56 AromaticContact CG-CZ2 3.76Å; H54-W56 AromaticContact ND1-CZ2 3.97Å; H54-W56 PolarHBondContact O-N 2.94Å; H54-W56 VanDerWaalsContact O-N 3.12Å; H54-W56 PolarHBondContact O-NE1 2.79Å; H54-C85 PolarHBondContact ND1-SG 3.42Å; H54-C88 PolarHBondContact CE1-SG 3.32Å; H54-C88 PolarHBondContact ND1-SG 2.75Å; H54-Y100 AromaticContact CE1-CE1 3.48Å; H54-Y100 VanDerWaalsContact CE1-CE1 3.48Å; H54-Y100 WeakPolarHBondContact CE1-CE1 3.26Å; H54-Y100 AromaticContact NE2-CD1 3.92Å; H54-Y100 AromaticContact NE2-CE1 3.54Å; H54-P101 PolarHBondContact CD2-O 3.39Å; H54-P101 PolarHBondContact NE2-O 2.87Å; H54-R102 PolarHBondContact CD2-O 3.02Å; H54-R102 PolarHBondContact N-O 3.19Å; H54-K103 PolarHBondContact NE2-O 3.41Å; H54-C104 PolarHBondContact ND1-SG 3.36Å; H54-C104 WeakPolarHBondContact NE2-CA 3.47Å | ||
| 55 | Q | 86.6 | Confident | 76.4 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.056 | 37% | 0.365 | C | S | . | . | trans | -73 | 100.8 | 167.5 | -160.4 | -175.6 | 9.4 | 0 | 0 | 109.8 | C31 W33 P53 C85 L86 W87 | C31-Q55 PolarHBondContact O-NE2 2.97Å; W33-Q55 HydrophobicContact CD2-CB 4.19Å; W33-Q55 VanDerWaalsContact CD2-CD 3.42Å; W33-Q55 HydrophobicContact CD2-CG 3.83Å; W33-Q55 HydrophobicContact CE3-CB 3.7Å; W33-Q55 HydrophobicContact CE3-CG 3.87Å; W33-Q55 HydrophobicContact CH2-CB 4.01Å; W33-Q55 HydrophobicContact CH2-CG 3.99Å; W33-Q55 HydrophobicContact CZ2-CB 4.47Å; W33-Q55 HydrophobicContact CZ2-CG 3.95Å; W33-Q55 HydrophobicContact CZ3-CB 3.6Å; W33-Q55 HydrophobicContact CZ3-CG 3.95Å; P53-Q55 PolarHBondContact O-N 2.73Å; Q55-C85 CarbonylContact O-C 3.54Å; Q55-C85 WeakPolarHBondContact O-CA 3.43Å; Q55-L86 HydrophobicContact CG-CD1 4.29Å; Q55-L86 PolarHBondContact O-N 3.11Å; Q55-W87 VanDerWaalsContact OE1-NE1 3.08Å | ||
| 56 | W | 86.5 | Confident | 77.2 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 148 | -177.9 | -61.7 | 104.4 | 0 | 0 | 0 | 112.9 | H54 W83 C85 V92 M97 Y100 | H54-W56 HydrophobicContact CB-CD2 4.12Å; H54-W56 HydrophobicContact CB-CG 4.43Å; H54-W56 HydrophobicContact CB-CH2 4.49Å; H54-W56 HydrophobicContact CB-CZ2 3.61Å; H54-W56 VanDerWaalsContact CB-NE1 3.3Å; H54-W56 AromaticContact CG-CZ2 3.76Å; H54-W56 AromaticContact ND1-CZ2 3.97Å; H54-W56 PolarHBondContact O-N 2.94Å; H54-W56 VanDerWaalsContact O-N 3.12Å; H54-W56 PolarHBondContact O-NE1 2.79Å; W56-W83 HydrophobicContact CB-CE3 3.88Å; W56-W83 HydrophobicContact CD2-CB 4.33Å; W56-W83 HydrophobicContact CE3-CB 3.82Å; W56-W83 HydrophobicContact CZ3-CB 4.48Å; W56-C85 HydrophobicContact CE3-CB 3.95Å; W56-C85 HydrophobicContact CH2-CB 4.34Å; W56-C85 HydrophobicContact CZ3-CB 3.86Å; W56-V92 HydrophobicContact CE3-CG2 4.26Å; W56-V92 HydrophobicContact CH2-CG1 4.04Å; W56-V92 HydrophobicContact CH2-CG2 3.7Å; W56-V92 HydrophobicContact CZ2-CG2 4.28Å; W56-V92 HydrophobicContact CZ3-CG1 4.46Å; W56-V92 HydrophobicContact CZ3-CG2 3.68Å; W56-M97 HydrophobicContact CB-CE 4.4Å; W56-M97 HydrophobicContact CG-CE 3.96Å; W56-Y100 HydrophobicContact CH2-CD1 4.12Å; W56-Y100 HydrophobicContact CZ2-CD1 4.07Å |
| 57 | L | 84.9 | Confident | 78.3 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 15% | 0.152 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.7 | 169.8 | -177.3 | 70.6 | 0 | 0 | 0 | 109.1 | C15 F17 R84 L86 | C15-L57 WeakPolarHBondContact O-CD2 3.3Å; F17-L57 HydrophobicContact CD2-CD1 4.29Å; L57-R84 PolarHBondContact N-O 2.9Å; L57-R84 PolarHBondContact O-N 3.21Å; L57-L86 HydrophobicContact CB-CD2 4.07Å; L57-L86 HydrophobicContact CB-CG 4.2Å; L57-L86 HydrophobicContact CD2-CD2 4.01Å |
| 58 | E | 83.4 | Confident | 79.9 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 134.3 | 179.4 | -168.5 | 179 | -161.1 | 0 | 0 | 112.3 | W83 | E58-W83 HydrophobicContact CB-CE3 4Å; E58-W83 HydrophobicContact CB-CH2 4.07Å; E58-W83 HydrophobicContact CB-CZ3 3.77Å; E58-W83 HydrophobicContact CG-CH2 4.49Å |
| 59 | G | 76.9 | Confident | 81.5 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 64.6 | -159.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L61 D82 | G59-L61 PolarHBondContact O-N 3.43Å; G59-D82 PolarHBondContact N-O 3Å |
| 60 | N | 71.2 | Confident | 82.6 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | trans | 51.2 | 38.7 | -173.8 | -172.6 | 72.7 | 0 | 0 | 0 | 112.1 | K18 L80 | K18-N60 PolarHBondContact NZ-OD1 2.86Å; N60-L80 HydrophobicContact CB-CD2 4.39Å | ||
| 61 | L | 81.3 | Confident | 83.3 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 151.7 | 175.2 | -55.3 | -167.2 | 0 | 0 | 0 | 110.8 | G59 A65 C74 D82 R84 M91 | G59-L61 PolarHBondContact O-N 3.43Å; L61-A65 HydrophobicContact CB-CB 3.92Å; L61-A65 HydrophobicContact CD1-CB 4.24Å; L61-C74 HydrophobicContact CD1-CB 3.63Å; L61-D82 HydrophobicContact CD1-CB 4.01Å; L61-R84 HydrophobicContact CD2-CB 3.49Å; L61-R84 VanDerWaalsContact CD2-CB 3.49Å; L61-R84 HydrophobicContact CD2-CG 4.31Å; L61-M91 HydrophobicContact CD2-CG 4.24Å; L61-M91 HydrophobicContact CD2-SD 4.3Å |
| 62 | P | 78.1 | Confident | 84.1 | Confident | 73 Ų | 73 | 56.4 Ų | 56.4 | 47% | 0.474 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 150.3 | 172 | 28.4 | -33.9 | 0 | 0 | 0 | 111.2 | S64 A65 M91 | P62-S64 PolarHBondContact O-N 2.82Å; P62-A65 HydrophobicContact CG-CB 4.06Å; P62-A65 VanDerWaalsContact O-CB 3.24Å; P62-A65 WeakPolarHBondContact O-CB 3.39Å; P62-A65 PolarHBondContact O-N 3.23Å; P62-M91 HydrophobicContact CG-SD 4.07Å |
| 63 | V | 71.8 | Confident | 84.4 | Confident | 134 Ų | 134 | 61.1 Ų | 61.1 | 81% | 0.812 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 136 | 165.4 | -172.2 | 0 | 0 | 0 | 0 | 107.9 | ||
| 64 | S | 79.2 | Confident | 84.4 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 75% | 0.748 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 20.1 | -167.9 | 78.9 | 0 | 0 | 0 | 0 | 117.5 | P62 K66 | P62-S64 PolarHBondContact O-N 2.82Å; S64-K66 PolarHBondContact O-N 2.78Å |
| 65 | A | 85.1 | Confident | 84.3 | Confident | 4 Ų | 4 | 61.3 Ų | 61.3 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | trans | -53 | 139 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L61 P62 T73 C74 M91 | L61-A65 HydrophobicContact CB-CB 3.92Å; L61-A65 HydrophobicContact CD1-CB 4.24Å; P62-A65 HydrophobicContact CG-CB 4.06Å; P62-A65 VanDerWaalsContact O-CB 3.24Å; P62-A65 WeakPolarHBondContact O-CB 3.39Å; P62-A65 PolarHBondContact O-N 3.23Å; A65-T73 CarbonylContact O-C 3.57Å; A65-T73 VanDerWaalsContact O-CA 3.28Å; A65-T73 WeakPolarHBondContact O-CA 3.5Å; A65-C74 HydrophobicContact CB-CB 4.34Å; A65-C74 PolarHBondContact O-N 3.2Å; A65-M91 HydrophobicContact CB-CE 3.9Å; A65-M91 HydrophobicContact CB-SD 3.63Å | ||
| 66 | K | 89.8 | Confident | 83.8 | Confident | 104 Ų | 104 | 63.4 Ų | 63.4 | 45% | 0.452 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -121 | 153.4 | 176.3 | -70.6 | -170 | 167.2 | -163 | 0 | 111.9 | S64 D71 K72 | S64-K66 PolarHBondContact O-N 2.78Å; K66-D71 VanDerWaalsContact CD-O 3.3Å; K66-D71 WeakPolarHBondContact CD-O 3.3Å; K66-D71 VanDerWaalsContact CD-OD1 3.24Å; K66-D71 WeakPolarHBondContact CD-OD1 3.27Å; K66-D71 WeakPolarHBondContact CG-O 3.37Å; K66-D71 VanDerWaalsContact NZ-CG 3.32Å; K66-D71 IonicContact NZ-OD1 2.73Å; K66-D71 PolarHBondContact NZ-OD1 2.77Å; K66-D71 IonicContact NZ-OD2 3.59Å; K66-D71 PolarHBondContact NZ-OD2 2.82Å; K66-K72 WeakPolarHBondContact CA-O 3.44Å |
| 67 | C | 90.4 | Very high | 83.1 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.02 | 40% | 0.398 | C | S | . | . | trans | -76.9 | 126.6 | 176.4 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | V69 C70 D71 K72 C74 M91 H93 | C67-V69 PolarHBondContact O-N 2.67Å; C67-V69 VanDerWaalsContact O-N 3.12Å; C67-C70 WeakPolarHBondContact CB-SG 3.33Å; C67-C70 PolarHBondContact O-N 2.6Å; C67-C70 VanDerWaalsContact SG-SG 3.61Å; C67-D71 VanDerWaalsContact O-CA 3.28Å; C67-D71 WeakPolarHBondContact O-CA 3.45Å; C67-D71 PolarHBondContact O-N 2.89Å; C67-K72 WeakPolarHBondContact CB-O 3.46Å; C67-K72 PolarHBondContact N-O 2.91Å; C67-C74 WeakPolarHBondContact CA-SG 3.45Å; C67-C74 WeakPolarHBondContact CB-SG 3.46Å; C67-C74 PolarHBondContact N-SG 2.84Å; C67-C74 VanDerWaalsContact N-SG 3.38Å; C67-M91 CarbonylContact C-O 3.33Å; C67-M91 WeakPolarHBondContact CA-O 3.36Å; C67-H93 WeakPolarHBondContact CB-ND1 3.48Å; C67-H93 PolarHBondContact SG-ND1 2.95Å; C67-H93 VanDerWaalsContact SG-ND1 3.42Å | ||
| 68 | A | 89 | Confident | 82.4 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 45% | 0.446 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A90 M91 V92 Y100 | A68-A90 HydrophobicContact CB-CB 4.36Å; A68-M91 PolarHBondContact N-O 2.92Å; A68-V92 HydrophobicContact CB-CG1 4.34Å; A68-Y100 HydrophobicContact CB-CD2 4.24Å; A68-Y100 HydrophobicContact CB-CE2 3.59Å |
| 69 | V | 89.6 | Confident | 81.9 | Confident | 60 Ų | 60 | 77.2 Ų | 77.2 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -40.9 | 175.3 | 179 | 0 | 0 | 0 | 0 | 112.2 | C67 V92 C96 L99 Y100 | C67-V69 PolarHBondContact O-N 2.67Å; C67-V69 VanDerWaalsContact O-N 3.12Å; V69-V92 HydrophobicContact CG2-CG1 4.25Å; V69-C96 HydrophobicContact CB-CB 3.96Å; V69-C96 HydrophobicContact CG1-CB 4.31Å; V69-C96 HydrophobicContact CG2-CB 4.05Å; V69-L99 HydrophobicContact CG1-CB 4.17Å; V69-L99 HydrophobicContact CG1-CD1 4.35Å; V69-Y100 HydrophobicContact CG2-CD2 3.73Å; V69-Y100 HydrophobicContact CG2-CG 4.47Å |
| 70 | C | 89.7 | Confident | 81.9 | Confident | 51 Ų | 51 | 82 Ų | 82 | 35% | 0.345 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 6 | -170 | 71.7 | 0 | 0 | 0 | 0 | 115.2 | C67 K72 | C67-C70 WeakPolarHBondContact CB-SG 3.33Å; C67-C70 PolarHBondContact O-N 2.6Å; C67-C70 VanDerWaalsContact SG-SG 3.61Å; C70-K72 PolarHBondContact O-N 2.78Å |
| 71 | D | 89 | Confident | 82.3 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 54% | 0.535 | 46% | 0.457 | S | S | . | . | trans | 56.8 | -8.3 | 179 | -159.8 | 63.5 | 0 | 0 | 0 | 116.9 | K66 C67 | K66-D71 VanDerWaalsContact CD-O 3.3Å; K66-D71 WeakPolarHBondContact CD-O 3.3Å; K66-D71 VanDerWaalsContact CD-OD1 3.24Å; K66-D71 WeakPolarHBondContact CD-OD1 3.27Å; K66-D71 WeakPolarHBondContact CG-O 3.37Å; K66-D71 VanDerWaalsContact NZ-CG 3.32Å; K66-D71 IonicContact NZ-OD1 2.73Å; K66-D71 PolarHBondContact NZ-OD1 2.77Å; K66-D71 IonicContact NZ-OD2 3.59Å; K66-D71 PolarHBondContact NZ-OD2 2.82Å; C67-D71 VanDerWaalsContact O-CA 3.28Å; C67-D71 WeakPolarHBondContact O-CA 3.45Å; C67-D71 PolarHBondContact O-N 2.89Å | ||
| 72 | K | 89.4 | Confident | 82.7 | Confident | 152 Ų | 152 | 79.6 Ų | 79.6 | 66% | 0.661 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -63.9 | 155 | 171.9 | -65.6 | 175.3 | -175.6 | 179.2 | 0 | 111.4 | K66 C67 C70 | K66-K72 WeakPolarHBondContact CA-O 3.44Å; C67-K72 WeakPolarHBondContact CB-O 3.46Å; C67-K72 PolarHBondContact N-O 2.91Å; C70-K72 PolarHBondContact O-N 2.78Å |
| 73 | T | 88.1 | Confident | 83.2 | Confident | 107 Ų | 107 | 79.1 Ų | 79.1 | 66% | 0.656 | 44% | 0.439 | S | S | * | . | B | Isolated β-bridge | trans | -62.9 | 139.2 | -178.5 | 40.7 | 0 | 0 | 0 | 0 | 112.9 | A65 H93 | A65-T73 CarbonylContact O-C 3.57Å; A65-T73 VanDerWaalsContact O-CA 3.28Å; A65-T73 WeakPolarHBondContact O-CA 3.5Å; T73-H93 PolarHBondContact O-CE1 2.83Å; T73-H93 PolarHBondContact O-NE2 3.09Å |
| 74 | C | 86.3 | Confident | 84 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 7% | 0.068 | 41% | 0.411 | C | S | . | . | trans | -114.2 | 154.1 | 178.1 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | L61 A65 C67 D82 H93 | L61-C74 HydrophobicContact CD1-CB 3.63Å; A65-C74 HydrophobicContact CB-CB 4.34Å; A65-C74 PolarHBondContact O-N 3.2Å; C67-C74 WeakPolarHBondContact CA-SG 3.45Å; C67-C74 WeakPolarHBondContact CB-SG 3.46Å; C67-C74 PolarHBondContact N-SG 2.84Å; C67-C74 VanDerWaalsContact N-SG 3.38Å; C74-D82 HydrophobicContact CB-CB 4.26Å; C74-H93 VanDerWaalsContact SG-CE1 3.54Å; C74-H93 PolarHBondContact SG-NE2 2.84Å; C74-H93 VanDerWaalsContact SG-NE2 3.42Å | ||
| 75 | G | 83.3 | Confident | 84.4 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | trans | 85.1 | 172.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D82 | G75-D82 PolarHBondContact N-OD2 3.08Š| ||
| 76 | S | 76.8 | Confident | 84.4 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | trans | -137.2 | 150.6 | 177.4 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | L78 | S76-L78 PolarHBondContact OG-N 2.85Š| ||
| 77 | V | 71.4 | Confident | 84.2 | Confident | 141 Ų | 141 | 66 Ų | 66 | 86% | 0.855 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -79.2 | -26.2 | 171.2 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 78 | L | 70.4 | Confident | 84.1 | Confident | 170 Ų | 170 | 66.9 Ų | 66.9 | 89% | 0.89 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -90 | -21 | -173.9 | -61.9 | 176 | 0 | 0 | 0 | 113.7 | S76 | S76-L78 PolarHBondContact OG-N 2.85Š|
| 79 | R | 73.7 | Confident | 84 | Confident | 158 Ų | 158 | 67 Ų | 67 | 60% | 0.596 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -150.2 | 158 | -178.8 | 62.4 | 170.2 | -174.3 | 160.5 | -5 | 112.1 | Q81 | R79-Q81 HydrophobicContact CG-CB 4.25Å; R79-Q81 PolarHBondContact O-N 2.98Å |
| 80 | L | 76.6 | Confident | 83.9 | Confident | 106 Ų | 106 | 65 Ų | 65 | 56% | 0.555 | 34% | 0.341 | S | S | * | . | trans | -65 | 131.1 | 159 | -58.9 | 177.5 | 0 | 0 | 0 | 108 | N60 | N60-L80 HydrophobicContact CB-CD2 4.39Š| ||
| 81 | Q | 80 | Confident | 84 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | trans | -162.2 | 148.9 | -178.9 | -172.7 | -170.3 | -42.3 | 0 | 0 | 107.7 | R79 | R79-Q81 HydrophobicContact CG-CB 4.25Å; R79-Q81 PolarHBondContact O-N 2.98Å | ||
| 82 | D | 89.1 | Confident | 84.1 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 65.1 | 163.6 | 177.5 | -54.7 | -39.9 | 0 | 0 | 0 | 113.4 | G59 L61 C74 G75 V92 H93 T94 | G59-D82 PolarHBondContact N-O 3Å; L61-D82 HydrophobicContact CD1-CB 4.01Å; C74-D82 HydrophobicContact CB-CB 4.26Å; G75-D82 PolarHBondContact N-OD2 3.08Å; D82-V92 WeakPolarHBondContact CB-O 3.49Å; D82-H93 VanDerWaalsContact OD1-CA 3.31Å; D82-H93 WeakPolarHBondContact OD1-CA 3.38Å; D82-H93 IonicContact OD1-CD2 3.7Å; D82-H93 IonicContact OD2-CD2 2.73Å; D82-H93 PolarHBondContact OD2-CD2 3.32Å; D82-T94 PolarHBondContact OD1-N 3.07Å |
| 83 | W | 87.8 | Confident | 84.1 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 146.4 | -163.8 | -60.5 | 89.9 | 0 | 0 | 0 | 112.4 | W56 E58 M91 V92 T94 M97 | W56-W83 HydrophobicContact CB-CE3 3.88Å; W56-W83 HydrophobicContact CD2-CB 4.33Å; W56-W83 HydrophobicContact CE3-CB 3.82Å; W56-W83 HydrophobicContact CZ3-CB 4.48Å; E58-W83 HydrophobicContact CB-CE3 4Å; E58-W83 HydrophobicContact CB-CH2 4.07Å; E58-W83 HydrophobicContact CB-CZ3 3.77Å; E58-W83 HydrophobicContact CG-CH2 4.49Å; W83-M91 CarbonylContact O-C 3.56Å; W83-M91 VanDerWaalsContact O-CA 3.24Å; W83-M91 WeakPolarHBondContact O-CA 3.46Å; W83-V92 HydrophobicContact CB-CG2 4.05Å; W83-V92 PolarHBondContact N-O 3.06Å; W83-V92 PolarHBondContact O-N 3.34Å; W83-T94 PolarHBondContact NE1-OG1 3.02Å; W83-T94 VanDerWaalsContact NE1-OG1 3.16Å; W83-M97 HydrophobicContact CD2-SD 4.06Å; W83-M97 HydrophobicContact CG-SD 3.88Å |
| 84 | R | 88.7 | Confident | 84.2 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.7 | 174.7 | 176.9 | 168.1 | 173 | -91.3 | 4.6 | 112.1 | L57 L61 A90 M91 | L57-R84 PolarHBondContact N-O 2.9Å; L57-R84 PolarHBondContact O-N 3.21Å; L61-R84 HydrophobicContact CD2-CB 3.49Å; L61-R84 VanDerWaalsContact CD2-CB 3.49Å; L61-R84 HydrophobicContact CD2-CG 4.31Å; R84-A90 WeakPolarHBondContact CA-O 3.39Å; R84-M91 HydrophobicContact CB-CG 4.07Å; R84-M91 HydrophobicContact CG-CG 3.9Å |
| 85 | C | 88.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 130.2 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | H54 Q55 W56 W87 K89 A90 | H54-C85 PolarHBondContact ND1-SG 3.42Å; Q55-C85 CarbonylContact O-C 3.54Å; Q55-C85 WeakPolarHBondContact O-CA 3.43Å; W56-C85 HydrophobicContact CE3-CB 3.95Å; W56-C85 HydrophobicContact CH2-CB 4.34Å; W56-C85 HydrophobicContact CZ3-CB 3.86Å; C85-W87 PolarHBondContact O-N 3.39Å; C85-W87 PolarHBondContact SG-N 2.93Å; C85-K89 VanDerWaalsContact O-CA 3.3Å; C85-K89 WeakPolarHBondContact O-CA 3.36Å; C85-K89 PolarHBondContact O-N 3.31Å; C85-A90 PolarHBondContact N-O 3.12Å |
| 86 | L | 85.1 | Confident | 84.6 | Confident | 10 Ų | 10 | 55.6 Ų | 55.6 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.6 | 177.4 | -70.3 | -177.9 | 0 | 0 | 0 | 113.7 | C15 K32 Q55 L57 K89 | C15-L86 HydrophobicContact CB-CD1 4.16Å; C15-L86 HydrophobicContact CB-CD2 4.27Å; K32-L86 HydrophobicContact CB-CD1 4.36Å; K32-L86 HydrophobicContact CG-CB 4.48Å; Q55-L86 HydrophobicContact CG-CD1 4.29Å; Q55-L86 PolarHBondContact O-N 3.11Å; L57-L86 HydrophobicContact CB-CD2 4.07Å; L57-L86 HydrophobicContact CB-CG 4.2Å; L57-L86 HydrophobicContact CD2-CD2 4.01Å; L86-K89 PolarHBondContact O-NZ 3.23Å |
| 87 | W | 85.9 | Confident | 85 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -83.3 | 179.7 | -63.5 | 89.6 | 0 | 0 | 0 | 111.4 | K32 W33 M52 Q55 C85 K89 L106 I113 P116 N165 | K32-W87 HydrophobicContact CD-CH2 4.36Å; K32-W87 HydrophobicContact CD-CZ2 4.19Å; K32-W87 VanDerWaalsContact CE-CE3 3.42Å; K32-W87 VanDerWaalsContact CE-CH2 3.46Å; K32-W87 HydrophobicContact CG-CH2 4.18Å; K32-W87 HydrophobicContact CG-CZ2 3.59Å; W33-W87 HydrophobicContact CB-CZ2 4.16Å; W33-W87 WeakPolarHBondContact O-CH2 3.44Å; W33-W87 WeakPolarHBondContact O-CZ2 3.44Å; M52-W87 HydrophobicContact CE-CD2 4.16Å; M52-W87 HydrophobicContact CE-CG 3.96Å; Q55-W87 VanDerWaalsContact OE1-NE1 3.08Å; C85-W87 PolarHBondContact O-N 3.39Å; C85-W87 PolarHBondContact SG-N 2.93Å; W87-K89 VanDerWaalsContact O-CD 3.23Å; W87-K89 WeakPolarHBondContact O-CD 3.36Å; W87-K89 VanDerWaalsContact O-CE 3.3Å; W87-K89 WeakPolarHBondContact O-CE 3.42Å; W87-K89 PolarHBondContact O-N 3.46Å; W87-K89 VanDerWaalsContact O-N 3.13Å; W87-K89 PolarHBondContact O-NZ 3.35Å; W87-L106 CarbonylContact C-O 3.51Å; W87-L106 HydrophobicContact CB-CD2 4.37Å; W87-L106 HydrophobicContact CD2-CD2 4.38Å; W87-L106 HydrophobicContact CE3-CD2 4Å; W87-I113 HydrophobicContact CE3-CG2 4.28Å; W87-I113 HydrophobicContact CZ3-CG2 3.88Å; W87-P116 HydrophobicContact CH2-CG 3.52Å; W87-P116 HydrophobicContact CZ2-CG 3.49Å; W87-P116 VanDerWaalsContact CZ2-CG 3.49Å; W87-P116 HydrophobicContact CZ3-CG 4.46Å; W87-N165 HydrophobicContact CH2-CB 4.13Å; W87-N165 HydrophobicContact CZ3-CB 4.23Å |
| 88 | C | 86.8 | Confident | 85.6 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 14% | 0.142 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -8.6 | -175.8 | 70.3 | 0 | 0 | 0 | 0 | 115.6 | H54 A90 P105 L106 | H54-C88 PolarHBondContact CE1-SG 3.32Å; H54-C88 PolarHBondContact ND1-SG 2.75Å; C88-A90 PolarHBondContact O-N 3.29Å; C88-A90 VanDerWaalsContact O-N 3.16Å; C88-A90 VanDerWaalsContact SG-CB 3.53Å; C88-P105 HydrophobicContact CB-CG 4.28Å; C88-L106 WeakPolarHBondContact CA-O 3.39Å; C88-L106 PolarHBondContact N-O 3.34Å |
| 89 | K | 87 | Confident | 86.4 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 25% | 0.248 | 28% | 0.275 | C | S | . | . | trans | 64.1 | 6.6 | -177.9 | -39.8 | -50.9 | -175 | -142.8 | 0 | 115.9 | C85 L86 W87 Q162 | C85-K89 VanDerWaalsContact O-CA 3.3Å; C85-K89 WeakPolarHBondContact O-CA 3.36Å; C85-K89 PolarHBondContact O-N 3.31Å; L86-K89 PolarHBondContact O-NZ 3.23Å; W87-K89 VanDerWaalsContact O-CD 3.23Å; W87-K89 WeakPolarHBondContact O-CD 3.36Å; W87-K89 VanDerWaalsContact O-CE 3.3Å; W87-K89 WeakPolarHBondContact O-CE 3.42Å; W87-K89 PolarHBondContact O-N 3.46Å; W87-K89 VanDerWaalsContact O-N 3.13Å; W87-K89 PolarHBondContact O-NZ 3.35Å; K89-Q162 PolarHBondContact NZ-O 3.45Å | ||
| 90 | A | 88.6 | Confident | 87 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | trans | -53.1 | 146.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | A68 R84 C85 C88 Y100 | A68-A90 HydrophobicContact CB-CB 4.36Å; R84-A90 WeakPolarHBondContact CA-O 3.39Å; C85-A90 PolarHBondContact N-O 3.12Å; C88-A90 PolarHBondContact O-N 3.29Å; C88-A90 VanDerWaalsContact O-N 3.16Å; C88-A90 VanDerWaalsContact SG-CB 3.53Å; A90-Y100 HydrophobicContact CB-CE1 4.35Å | ||
| 91 | M | 90.7 | Very high | 87.4 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 17% | 0.172 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 134.8 | -177.5 | -61.5 | 172 | -64.7 | 0 | 0 | 108.3 | L61 P62 A65 C67 A68 W83 R84 | L61-M91 HydrophobicContact CD2-CG 4.24Å; L61-M91 HydrophobicContact CD2-SD 4.3Å; P62-M91 HydrophobicContact CG-SD 4.07Å; A65-M91 HydrophobicContact CB-CE 3.9Å; A65-M91 HydrophobicContact CB-SD 3.63Å; C67-M91 CarbonylContact C-O 3.33Å; C67-M91 WeakPolarHBondContact CA-O 3.36Å; A68-M91 PolarHBondContact N-O 2.92Å; W83-M91 CarbonylContact O-C 3.56Å; W83-M91 VanDerWaalsContact O-CA 3.24Å; W83-M91 WeakPolarHBondContact O-CA 3.46Å; R84-M91 HydrophobicContact CB-CG 4.07Å; R84-M91 HydrophobicContact CG-CG 3.9Å |
| 92 | V | 91.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 143.8 | -176.5 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | W56 A68 V69 D82 W83 C96 M97 Y100 | W56-V92 HydrophobicContact CE3-CG2 4.26Å; W56-V92 HydrophobicContact CH2-CG1 4.04Å; W56-V92 HydrophobicContact CH2-CG2 3.7Å; W56-V92 HydrophobicContact CZ2-CG2 4.28Å; W56-V92 HydrophobicContact CZ3-CG1 4.46Å; W56-V92 HydrophobicContact CZ3-CG2 3.68Å; A68-V92 HydrophobicContact CB-CG1 4.34Å; V69-V92 HydrophobicContact CG2-CG1 4.25Å; D82-V92 WeakPolarHBondContact CB-O 3.49Å; W83-V92 HydrophobicContact CB-CG2 4.05Å; W83-V92 PolarHBondContact N-O 3.06Å; W83-V92 PolarHBondContact O-N 3.34Å; V92-C96 HydrophobicContact CB-CB 4.44Å; V92-M97 HydrophobicContact CG2-CB 4.21Å; V92-M97 HydrophobicContact CG2-CG 4.43Å; V92-Y100 HydrophobicContact CG1-CD2 4Å; V92-Y100 HydrophobicContact CG1-CG 4.14Å |
| 93 | H | 90.8 | Very high | 87.4 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 17% | 0.167 | 30% | 0.298 | C | S | . | . | trans | -61.7 | 152.9 | 166.3 | -59.8 | 107.5 | 0 | 0 | 0 | 110.6 | C67 T73 C74 D82 A95 C96 M97 | C67-H93 WeakPolarHBondContact CB-ND1 3.48Å; C67-H93 PolarHBondContact SG-ND1 2.95Å; C67-H93 VanDerWaalsContact SG-ND1 3.42Å; T73-H93 PolarHBondContact O-CE1 2.83Å; T73-H93 PolarHBondContact O-NE2 3.09Å; C74-H93 VanDerWaalsContact SG-CE1 3.54Å; C74-H93 PolarHBondContact SG-NE2 2.84Å; C74-H93 VanDerWaalsContact SG-NE2 3.42Å; D82-H93 VanDerWaalsContact OD1-CA 3.31Å; D82-H93 WeakPolarHBondContact OD1-CA 3.38Å; D82-H93 IonicContact OD1-CD2 3.7Å; D82-H93 IonicContact OD2-CD2 2.73Å; D82-H93 PolarHBondContact OD2-CD2 3.32Å; H93-A95 PolarHBondContact O-N 3.22Å; H93-C96 HydrophobicContact CB-CB 4.16Å; H93-C96 CarbonylContact O-C 3.58Å; H93-C96 WeakPolarHBondContact O-CA 3.47Å; H93-C96 PolarHBondContact O-N 3.34Å; H93-M97 PolarHBondContact O-N 3.11Å; H93-M97 VanDerWaalsContact O-N 3.14Å | ||
| 94 | T | 89 | Confident | 87.2 | Confident | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.46 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -53 | -42.4 | 174.2 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | D82 W83 C96 M97 | D82-T94 PolarHBondContact OD1-N 3.07Å; W83-T94 PolarHBondContact NE1-OG1 3.02Å; W83-T94 VanDerWaalsContact NE1-OG1 3.16Å; T94-C96 VanDerWaalsContact C-N 3.26Å; T94-C96 PolarHBondContact O-N 3.43Å; T94-M97 WeakPolarHBondContact O-CB 3.44Å; T94-M97 PolarHBondContact O-N 3.1Å |
| 95 | A | 88.6 | Confident | 86.9 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 74% | 0.736 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -75.2 | -7.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | H93 | H93-A95 PolarHBondContact O-N 3.22Š|
| 96 | C | 89 | Confident | 86.6 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -104.8 | -1.2 | 174.7 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | V69 V92 H93 T94 L99 | V69-C96 HydrophobicContact CB-CB 3.96Å; V69-C96 HydrophobicContact CG1-CB 4.31Å; V69-C96 HydrophobicContact CG2-CB 4.05Å; V92-C96 HydrophobicContact CB-CB 4.44Å; H93-C96 HydrophobicContact CB-CB 4.16Å; H93-C96 CarbonylContact O-C 3.58Å; H93-C96 WeakPolarHBondContact O-CA 3.47Å; H93-C96 PolarHBondContact O-N 3.34Å; T94-C96 VanDerWaalsContact C-N 3.26Å; T94-C96 PolarHBondContact O-N 3.43Å; C96-L99 PolarHBondContact O-N 3.21Å |
| 97 | M | 85.6 | Confident | 86.5 | Confident | 55 Ų | 55 | 58.5 Ų | 58.5 | 27% | 0.271 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -66.5 | -45.8 | -172.9 | -174.7 | 169.7 | 168.3 | 0 | 0 | 112.1 | W56 W83 V92 H93 T94 L99 Y100 | W56-M97 HydrophobicContact CB-CE 4.4Å; W56-M97 HydrophobicContact CG-CE 3.96Å; W83-M97 HydrophobicContact CD2-SD 4.06Å; W83-M97 HydrophobicContact CG-SD 3.88Å; V92-M97 HydrophobicContact CG2-CB 4.21Å; V92-M97 HydrophobicContact CG2-CG 4.43Å; H93-M97 PolarHBondContact O-N 3.11Å; H93-M97 VanDerWaalsContact O-N 3.14Å; T94-M97 WeakPolarHBondContact O-CB 3.44Å; T94-M97 PolarHBondContact O-N 3.1Å; M97-L99 VanDerWaalsContact C-N 3.26Å; M97-L99 PolarHBondContact O-N 3.23Å; M97-Y100 PolarHBondContact O-N 3.12Å |
| 98 | D | 84.8 | Confident | 86 | Confident | 137 Ų | 137 | 64 Ų | 64 | 73% | 0.733 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -16.4 | 179 | -60.7 | -67.9 | 0 | 0 | 0 | 114 | Y100 | D98-Y100 VanDerWaalsContact C-N 3.35Š|
| 99 | L | 86 | Confident | 85.5 | Confident | 129 Ų | 129 | 63.7 Ų | 63.7 | 68% | 0.675 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -9 | 175 | -60.8 | 177 | 0 | 0 | 0 | 112.8 | V69 C96 M97 | V69-L99 HydrophobicContact CG1-CB 4.17Å; V69-L99 HydrophobicContact CG1-CD1 4.35Å; C96-L99 PolarHBondContact O-N 3.21Å; M97-L99 VanDerWaalsContact C-N 3.26Å; M97-L99 PolarHBondContact O-N 3.23Å |
| 100 | Y | 86.3 | Confident | 85.1 | Confident | 51 Ų | 51 | 67.2 Ų | 67.2 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -90.9 | 142.9 | -180 | -159.7 | -96.8 | 0 | 0 | 0 | 111.2 | H54 W56 A68 V69 A90 V92 M97 D98 R102 | H54-Y100 AromaticContact CE1-CE1 3.48Å; H54-Y100 VanDerWaalsContact CE1-CE1 3.48Å; H54-Y100 WeakPolarHBondContact CE1-CE1 3.26Å; H54-Y100 AromaticContact NE2-CD1 3.92Å; H54-Y100 AromaticContact NE2-CE1 3.54Å; W56-Y100 HydrophobicContact CH2-CD1 4.12Å; W56-Y100 HydrophobicContact CZ2-CD1 4.07Å; A68-Y100 HydrophobicContact CB-CD2 4.24Å; A68-Y100 HydrophobicContact CB-CE2 3.59Å; V69-Y100 HydrophobicContact CG2-CD2 3.73Å; V69-Y100 HydrophobicContact CG2-CG 4.47Å; A90-Y100 HydrophobicContact CB-CE1 4.35Å; V92-Y100 HydrophobicContact CG1-CD2 4Å; V92-Y100 HydrophobicContact CG1-CG 4.14Å; M97-Y100 PolarHBondContact O-N 3.12Å; D98-Y100 VanDerWaalsContact C-N 3.35Å; Y100-R102 PolarHBondContact O-N 3.19Å |
| 101 | P | 86.1 | Confident | 84.7 | Confident | 87 Ų | 87 | 69.1 Ų | 69.1 | 57% | 0.565 | 37% | 0.368 | S | S | * | . | trans | -52.9 | 136 | 178.4 | -29.3 | 36.2 | 0 | 0 | 0 | 113.4 | H54 | H54-P101 PolarHBondContact CD2-O 3.39Å; H54-P101 PolarHBondContact NE2-O 2.87Å | ||
| 102 | R | 83.3 | Confident | 84.4 | Confident | 192 Ų | 192 | 67.4 Ų | 67.4 | 73% | 0.725 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -72.8 | -34.7 | -176.3 | -68.6 | -172.8 | 173.6 | -161.1 | -3.7 | 113.7 | I44 P53 H54 Y100 | I44-R102 HydrophobicContact CD1-CB 4.12Å; P53-R102 VanDerWaalsContact CA-O 3.3Å; P53-R102 WeakPolarHBondContact CA-O 2.9Å; H54-R102 PolarHBondContact CD2-O 3.02Å; H54-R102 PolarHBondContact N-O 3.19Å; Y100-R102 PolarHBondContact O-N 3.19Å |
| 103 | K | 85.3 | Confident | 84 | Confident | 90 Ų | 90 | 67.6 Ų | 67.6 | 39% | 0.391 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -77.1 | 126.2 | -178.9 | -52.1 | -172.8 | -167.6 | -167 | 0 | 111.1 | I44 D46 A51 H54 P105 | I44-K103 HydrophobicContact CD1-CG 4.16Å; D46-K103 WeakPolarHBondContact OD1-CE 3.1Å; D46-K103 IonicContact OD1-NZ 3.19Å; D46-K103 PolarHBondContact OD1-NZ 3.08Å; D46-K103 WeakPolarHBondContact OD2-CE 3.39Å; D46-K103 IonicContact OD2-NZ 2.72Å; D46-K103 PolarHBondContact OD2-NZ 3.39Å; A51-K103 HydrophobicContact CB-CD 4.3Å; A51-K103 HydrophobicContact CB-CG 4.44Å; H54-K103 PolarHBondContact NE2-O 3.41Å; K103-P105 WeakPolarHBondContact O-CD 3.48Å |
| 104 | C | 84.4 | Confident | 83.6 | Confident | 15 Ų | 15 | 66 Ų | 66 | 10% | 0.101 | 35% | 0.353 | C | S | . | . | trans | -83.6 | 120 | -175.8 | -163.6 | 0 | 0 | 0 | 0 | 113.3 | M52 H54 L106 | M52-C104 HydrophobicContact CG-CB 4.42Å; M52-C104 PolarHBondContact O-N 2.9Å; H54-C104 PolarHBondContact ND1-SG 3.36Å; H54-C104 WeakPolarHBondContact NE2-CA 3.47Å; C104-L106 PolarHBondContact O-N 3.02Å; C104-L106 VanDerWaalsContact O-N 3.11Å | ||
| 105 | P | 82.4 | Confident | 83.2 | Confident | 77 Ų | 77 | 63 Ų | 63 | 50% | 0.5 | 34% | 0.335 | S | S | . | . | trans | -79.6 | 10.7 | -178.9 | 34.2 | -37.6 | 0 | 0 | 0 | 114 | C88 K103 G107 | C88-P105 HydrophobicContact CB-CG 4.28Å; K103-P105 WeakPolarHBondContact O-CD 3.48Å; P105-G107 PolarHBondContact O-N 3.22Å | ||
| 106 | L | 80.9 | Confident | 82.7 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.12 | 30% | 0.3 | C | S | . | . | trans | 58 | -18.6 | -173.6 | -55.7 | 174.7 | 0 | 0 | 0 | 116.9 | M52 W87 C88 C104 K110 I113 P115 | M52-L106 HydrophobicContact SD-CD2 3.81Å; W87-L106 CarbonylContact C-O 3.51Å; W87-L106 HydrophobicContact CB-CD2 4.37Å; W87-L106 HydrophobicContact CD2-CD2 4.38Å; W87-L106 HydrophobicContact CE3-CD2 4Å; C88-L106 WeakPolarHBondContact CA-O 3.39Å; C88-L106 PolarHBondContact N-O 3.34Å; C104-L106 PolarHBondContact O-N 3.02Å; C104-L106 VanDerWaalsContact O-N 3.11Å; L106-K110 HydrophobicContact CB-CB 4.01Å; L106-I113 HydrophobicContact CD1-CB 4.49Å; L106-I113 HydrophobicContact CD1-CG2 4.17Å; L106-P115 HydrophobicContact CD1-CB 4.17Å | ||
| 107 | G | 82.7 | Confident | 82 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 23% | 0.227 | 30% | 0.3 | C | S | . | . | trans | 87 | -157.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P105 C109 K110 | P105-G107 PolarHBondContact O-N 3.22Å; G107-C109 VanDerWaalsContact C-N 3.3Å; G107-C109 PolarHBondContact O-N 2.91Å; G107-K110 WeakPolarHBondContact O-CB 3.39Å; G107-K110 PolarHBondContact O-N 3.46Å; G107-K110 VanDerWaalsContact O-N 3.11Å | ||
| 108 | Q | 75.9 | Confident | 81.4 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -43 | -171.9 | -170.2 | 177.3 | 7 | 0 | 0 | 113.3 | K110 E251 | Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 2.73Å; Q108-E251 PolarHBondContact NE2-OE2 3.28Å |
| 109 | C | 77 | Confident | 80.9 | Confident | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.095 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 22 | -177.1 | -52.4 | 0 | 0 | 0 | 0 | 114.2 | G107 V111 S112 I113 | G107-C109 VanDerWaalsContact C-N 3.3Å; G107-C109 PolarHBondContact O-N 2.91Å; C109-V111 PolarHBondContact O-N 3.45Å; C109-V111 VanDerWaalsContact O-N 3.13Å; C109-S112 PolarHBondContact O-N 2.93Å; C109-S112 VanDerWaalsContact O-N 3.12Å; C109-I113 HydrophobicContact CB-CD1 3.88Å; C109-I113 HydrophobicContact CB-CG1 4.21Å; C109-I113 VanDerWaalsContact O-CG1 3.31Å; C109-I113 WeakPolarHBondContact O-CG1 3.4Å; C109-I113 PolarHBondContact O-N 3.26Å; C109-I113 VanDerWaalsContact O-N 3.11Å |
| 110 | K | 79.1 | Confident | 79.8 | Confident | 130 Ų | 130 | 47.1 Ų | 47.1 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32.1 | -173.2 | 65.9 | 171.8 | -173.3 | 170.8 | 0 | 114.3 | L106 G107 Q108 | L106-K110 HydrophobicContact CB-CB 4.01Å; G107-K110 WeakPolarHBondContact O-CB 3.39Å; G107-K110 PolarHBondContact O-N 3.46Å; G107-K110 VanDerWaalsContact O-N 3.11Å; Q108-K110 VanDerWaalsContact C-N 3.28Å; Q108-K110 PolarHBondContact O-N 2.73Å |
| 111 | V | 79.2 | Confident | 78.4 | Confident | 56 Ų | 56 | 47 Ų | 47 | 34% | 0.339 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -41.4 | -179.4 | -173.6 | 0 | 0 | 0 | 0 | 110.6 | C109 | C109-V111 PolarHBondContact O-N 3.45Å; C109-V111 VanDerWaalsContact O-N 3.13Å |
| 112 | S | 83.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -17 | 178.4 | -64.3 | 0 | 0 | 0 | 0 | 114.3 | C109 L140 R191 E254 | C109-S112 PolarHBondContact O-N 2.93Å; C109-S112 VanDerWaalsContact O-N 3.12Å; S112-L140 PolarHBondContact O-N 2.82Å; S112-R191 PolarHBondContact OG-NH2 2.89Å; S112-E254 VanDerWaalsContact CB-OE1 3.31Å; S112-E254 WeakPolarHBondContact CB-OE1 3.34Å; S112-E254 PolarHBondContact N-OE1 2.99Å; S112-E254 PolarHBondContact OG-OE1 3.41Å |
| 113 | I | 84.6 | Confident | 75.6 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | trans | -94.8 | 110.2 | -177 | -66 | 169.6 | 0 | 0 | 0 | 111.5 | W87 L106 C109 P115 L164 | W87-I113 HydrophobicContact CE3-CG2 4.28Å; W87-I113 HydrophobicContact CZ3-CG2 3.88Å; L106-I113 HydrophobicContact CD1-CB 4.49Å; L106-I113 HydrophobicContact CD1-CG2 4.17Å; C109-I113 HydrophobicContact CB-CD1 3.88Å; C109-I113 HydrophobicContact CB-CG1 4.21Å; C109-I113 VanDerWaalsContact O-CG1 3.31Å; C109-I113 WeakPolarHBondContact O-CG1 3.4Å; C109-I113 PolarHBondContact O-N 3.26Å; C109-I113 VanDerWaalsContact O-N 3.11Å; I113-P115 WeakPolarHBondContact O-CD 3.49Å; I113-L164 HydrophobicContact CG1-CD2 3.75Å | ||
| 114 | I | 82.6 | Confident | 73.8 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | trans | -60.1 | 116.6 | 152.1 | -53.9 | 172.5 | 0 | 0 | 0 | 108.7 | A118 L119 P139 N165 Q168 F184 F187 | I114-A118 HydrophobicContact CG2-CB 3.55Å; I114-L119 HydrophobicContact CG2-CD1 4.37Å; I114-L119 HydrophobicContact CG2-CG 4.29Å; I114-P139 HydrophobicContact CD1-CB 3.95Å; I114-P139 HydrophobicContact CG1-CB 3.43Å; I114-P139 VanDerWaalsContact CG1-CB 3.43Å; I114-P139 HydrophobicContact CG1-CG 4.31Å; I114-N165 PolarHBondContact O-ND2 3.37Å; I114-Q168 VanDerWaalsContact CB-NE2 3.32Å; I114-Q168 HydrophobicContact CD1-CG 4.42Å; I114-Q168 PolarHBondContact O-NE2 3.01Å; I114-F184 HydrophobicContact CD1-CD1 4.45Å; I114-F184 HydrophobicContact CD1-CE1 3.64Å; I114-F184 HydrophobicContact CD1-CE2 3.97Å; I114-F184 HydrophobicContact CD1-CZ 3.37Å; I114-F184 HydrophobicContact CG1-CZ 4.47Å; I114-F187 HydrophobicContact CD1-CE2 3.68Å; I114-F187 HydrophobicContact CD1-CZ 3.58Å; I114-F187 HydrophobicContact CG1-CZ 4.03Å | ||
| 115 | P | 79.5 | Confident | 72.4 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | trans | -69.5 | 157.5 | 176.5 | 29.9 | -34.6 | 0 | 0 | 0 | 111.1 | L106 I113 T117 A118 P133 | L106-P115 HydrophobicContact CD1-CB 4.17Å; I113-P115 WeakPolarHBondContact O-CD 3.49Å; P115-T117 PolarHBondContact O-N 2.93Å; P115-A118 HydrophobicContact CG-CB 4.1Å; P115-A118 WeakPolarHBondContact O-CB 3.39Å; P115-A118 PolarHBondContact O-N 3.47Å; P115-A118 VanDerWaalsContact O-N 3.1Å; P115-P133 HydrophobicContact CG-CG 4.09Å | ||
| 116 | P | 78.3 | Confident | 71 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -56.5 | -30.8 | 173.4 | -23.7 | 34.1 | 0 | 0 | 0 | 113.3 | W33 T35 L36 I39 M52 W87 A118 L119 | W33-P116 HydrophobicContact CB-CB 4.45Å; W33-P116 HydrophobicContact CB-CG 4.05Å; T35-P116 CarbonylContact C-O 3.52Å; T35-P116 VanDerWaalsContact C-O 3.31Å; L36-P116 PolarHBondContact N-O 3.18Å; I39-P116 HydrophobicContact CD1-CB 3.92Å; I39-P116 HydrophobicContact CG1-CB 4.27Å; M52-P116 HydrophobicContact SD-CG 4.35Å; W87-P116 HydrophobicContact CH2-CG 3.52Å; W87-P116 HydrophobicContact CZ2-CG 3.49Å; W87-P116 VanDerWaalsContact CZ2-CG 3.49Å; W87-P116 HydrophobicContact CZ3-CG 4.46Å; P116-A118 PolarHBondContact O-N 2.95Å; P116-A118 VanDerWaalsContact O-N 3.14Å; P116-L119 PolarHBondContact O-N 2.83Å; P116-L119 VanDerWaalsContact O-N 3.09Å |
| 117 | T | 74.6 | Confident | 69.8 | Low | 19 Ų | 19 | 47.9 Ų | 47.9 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -67.3 | -4.7 | 177.2 | 53.1 | 0 | 0 | 0 | 0 | 115.3 | L36 I39 I50 M52 P115 N120 | L36-T117 HydrophobicContact CD1-CG2 4.07Å; I39-T117 HydrophobicContact CD1-CG2 3.59Å; I50-T117 HydrophobicContact CG2-CG2 3.99Å; M52-T117 HydrophobicContact CB-CG2 4.09Å; P115-T117 PolarHBondContact O-N 2.93Å; T117-N120 PolarHBondContact O-ND2 2.88Å; T117-N120 PolarHBondContact O-OD1 2.98Å |
| 118 | A | 72.8 | Confident | 68.7 | Low | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -96.1 | -10.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I114 P115 P116 A130 T131 P133 | I114-A118 HydrophobicContact CG2-CB 3.55Å; P115-A118 HydrophobicContact CG-CB 4.1Å; P115-A118 WeakPolarHBondContact O-CB 3.39Å; P115-A118 PolarHBondContact O-N 3.47Å; P115-A118 VanDerWaalsContact O-N 3.1Å; P116-A118 PolarHBondContact O-N 2.95Å; P116-A118 VanDerWaalsContact O-N 3.14Å; A118-A130 CarbonylContact O-C 3.51Å; A118-A130 WeakPolarHBondContact O-CA 3.4Å; A118-T131 WeakPolarHBondContact CB-O 2.79Å; A118-T131 PolarHBondContact O-N 2.85Å; A118-P133 HydrophobicContact CB-CG 3.77Å |
| 119 | L | 74.4 | Confident | 67.7 | Low | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 88.9 | -173.7 | -71.2 | 163.2 | 0 | 0 | 0 | 109.2 | T34 T35 L36 I114 P116 A130 A167 L183 | T34-L119 VanDerWaalsContact O-CD1 3.27Å; T34-L119 WeakPolarHBondContact O-CD1 3.34Å; T35-L119 HydrophobicContact CG2-CB 3.96Å; L36-L119 PolarHBondContact N-O 3.06Å; L36-L119 VanDerWaalsContact N-O 3.08Å; I114-L119 HydrophobicContact CG2-CD1 4.37Å; I114-L119 HydrophobicContact CG2-CG 4.29Å; P116-L119 PolarHBondContact O-N 2.83Å; P116-L119 VanDerWaalsContact O-N 3.09Å; L119-A130 HydrophobicContact CD2-CB 3.9Å; L119-A167 HydrophobicContact CD1-CB 4.12Å; L119-L183 HydrophobicContact CD2-CD1 3.97Å |
| 120 | N | 62.1 | Low | 67 | Low | 68 Ų | 68 | 49.9 Ų | 49.9 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -22.3 | -153.2 | -65.3 | -8.1 | 0 | 0 | 0 | 114.4 | L36 T117 K129 | L36-N120 WeakPolarHBondContact CB-OD1 3.47Å; L36-N120 HydrophobicContact CD2-CB 4.42Å; T117-N120 PolarHBondContact O-ND2 2.88Å; T117-N120 PolarHBondContact O-OD1 2.98Å; N120-K129 PolarHBondContact N-O 3.06Å |
| 121 | S | 56.8 | Low | 66.1 | Low | 49 Ų | 49 | 47.2 Ų | 47.2 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163.8 | 172.9 | 82 | 0 | 0 | 0 | 0 | 112.2 | K129 | S121-K129 PolarHBondContact O-N 3.05Å |
| 122 | I | 58.8 | Low | 65 | Low | 92 Ų | 92 | 47.7 Ų | 47.7 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133 | 161.2 | -57.2 | -179.8 | 0 | 0 | 0 | 105.9 | G126 F127 W128 | I122-G126 VanDerWaalsContact CG2-CA 3.45Å; I122-G126 WeakPolarHBondContact CG2-O 3.4Å; I122-F127 CarbonylContact C-O 3.5Å; I122-F127 WeakPolarHBondContact CA-O 3.38Å; I122-W128 HydrophobicContact CD1-CH2 3.9Å; I122-W128 HydrophobicContact CD1-CZ2 3.88Å; I122-W128 HydrophobicContact CD1-CZ3 4.28Å; I122-W128 HydrophobicContact CG1-CD2 3.99Å; I122-W128 HydrophobicContact CG1-CE3 3.79Å; I122-W128 HydrophobicContact CG1-CH2 3.9Å; I122-W128 HydrophobicContact CG1-CZ2 4.1Å; I122-W128 HydrophobicContact CG1-CZ3 3.75Å |
| 123 | D | 53.3 | Low | 63.6 | Low | 58 Ų | 58 | 48.9 Ų | 48.9 | 31% | 0.31 | 28% | 0.282 | S | S | . | . | trans | -72.6 | 166.3 | 174 | -113.9 | -34 | 0 | 0 | 0 | 110.9 | D125 G126 F127 K186 | D123-D125 PolarHBondContact O-N 3.25Å; D123-G126 PolarHBondContact O-N 3.14Å; D123-F127 PolarHBondContact N-O 2.8Å; D123-K186 IonicContact OD2-NZ 3.23Å; D123-K186 PolarHBondContact OD2-NZ 3.5Å | ||
| 124 | S | 46.8 | Very low | 62.1 | Low | 123 Ų | 123 | 55.7 Ų | 55.7 | 86% | 0.86 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -29 | -177.8 | -51.2 | 0 | 0 | 0 | 0 | 114.7 | G126 | S124-G126 VanDerWaalsContact C-N 3.34Š|
| 125 | D | 54.2 | Low | 60.6 | Low | 97 Ų | 97 | 60.8 Ų | 60.8 | 52% | 0.519 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -0.6 | 179.4 | -68.7 | 11.8 | 0 | 0 | 0 | 114.3 | D123 F127 R182 | D123-D125 PolarHBondContact O-N 3.25Å; D125-F127 HydrophobicContact CB-CD2 3.61Å; D125-F127 HydrophobicContact CB-CE2 3.83Å; D125-F127 WeakPolarHBondContact O-CE2 3.38Å; D125-R182 IonicContact OD2-CZ 3.29Å; D125-R182 VanDerWaalsContact OD2-CZ 3.23Å; D125-R182 IonicContact OD2-NH1 3.29Å; D125-R182 PolarHBondContact OD2-NH1 2.94Å; D125-R182 IonicContact OD2-NH2 2.69Å; D125-R182 PolarHBondContact OD2-NH2 3.16Å |
| 126 | G | 53.7 | Low | 59.5 | Low | 50 Ų | 50 | 60.4 Ų | 60.4 | 52% | 0.515 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 88.8 | 11.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | I122 D123 S124 | I122-G126 VanDerWaalsContact CG2-CA 3.45Å; I122-G126 WeakPolarHBondContact CG2-O 3.4Å; D123-G126 PolarHBondContact O-N 3.14Å; S124-G126 VanDerWaalsContact C-N 3.34Å |
| 127 | F | 56.2 | Low | 58.6 | Low | 82 Ų | 82 | 64.7 Ų | 64.7 | 36% | 0.36 | 40% | 0.395 | S | S | . | . | trans | -106.7 | 144.2 | -178.4 | -58.8 | -68.6 | 0 | 0 | 0 | 113.5 | I122 D123 D125 L179 R182 | I122-F127 CarbonylContact C-O 3.5Å; I122-F127 WeakPolarHBondContact CA-O 3.38Å; D123-F127 PolarHBondContact N-O 2.8Å; D125-F127 HydrophobicContact CB-CD2 3.61Å; D125-F127 HydrophobicContact CB-CE2 3.83Å; D125-F127 WeakPolarHBondContact O-CE2 3.38Å; F127-L179 HydrophobicContact CD1-CD2 4.13Å; F127-L179 HydrophobicContact CE1-CD2 3.49Å; F127-L179 VanDerWaalsContact CE1-CD2 3.49Å; F127-L179 HydrophobicContact CZ-CD2 4.18Å; F127-R182 VanDerWaalsContact CD2-NH1 3.31Å; F127-R182 VanDerWaalsContact CE2-NH1 3.31Å | ||
| 128 | W | 58.2 | Low | 58.6 | Low | 105 Ų | 105 | 64.9 Ų | 64.9 | 40% | 0.398 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 137.1 | -180 | -67.3 | 97 | 0 | 0 | 0 | 112.7 | T35 I122 L183 | T35-W128 HydrophobicContact CG2-CD2 3.95Å; T35-W128 HydrophobicContact CG2-CE3 3.76Å; T35-W128 HydrophobicContact CG2-CH2 3.75Å; T35-W128 HydrophobicContact CG2-CZ2 3.93Å; T35-W128 HydrophobicContact CG2-CZ3 3.66Å; I122-W128 HydrophobicContact CD1-CH2 3.9Å; I122-W128 HydrophobicContact CD1-CZ2 3.88Å; I122-W128 HydrophobicContact CD1-CZ3 4.28Å; I122-W128 HydrophobicContact CG1-CD2 3.99Å; I122-W128 HydrophobicContact CG1-CE3 3.79Å; I122-W128 HydrophobicContact CG1-CH2 3.9Å; I122-W128 HydrophobicContact CG1-CZ2 4.1Å; I122-W128 HydrophobicContact CG1-CZ3 3.75Å; W128-L183 HydrophobicContact CB-CD1 3.88Å; W128-L183 WeakPolarHBondContact O-CD1 3.43Å |
| 129 | K | 56.8 | Low | 59.3 | Low | 85 Ų | 85 | 64.9 Ų | 64.9 | 37% | 0.37 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 115 | 174.4 | -175.9 | 175.1 | 178 | 178.7 | 0 | 109.4 | N120 S121 K186 | N120-K129 PolarHBondContact N-O 3.06Å; S121-K129 PolarHBondContact O-N 3.05Å; K129-K186 HydrophobicContact CG-CD 4.21Å |
| 130 | A | 61.2 | Low | 60.1 | Low | 9 Ų | 9 | 64.7 Ų | 64.7 | 7% | 0.074 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 146.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | A118 L119 L183 F187 | A118-A130 CarbonylContact O-C 3.51Å; A118-A130 WeakPolarHBondContact O-CA 3.4Å; L119-A130 HydrophobicContact CD2-CB 3.9Å; A130-L183 HydrophobicContact CB-CD1 4.47Å; A130-F187 HydrophobicContact CB-CE2 3.51Å; A130-F187 HydrophobicContact CB-CZ 3.61Å |
| 131 | T | 60.7 | Low | 61.5 | Low | 74 Ų | 74 | 61.4 Ų | 61.4 | 45% | 0.454 | 38% | 0.378 | S | S | . | . | trans | -124.6 | 119.8 | 176.1 | -33.7 | 0 | 0 | 0 | 0 | 106.7 | A118 P133 | A118-T131 WeakPolarHBondContact CB-O 2.79Å; A118-T131 PolarHBondContact O-N 2.85Å; T131-P133 VanDerWaalsContact O-CD 3.24Å; T131-P133 WeakPolarHBondContact O-CD 3.3Å | ||
| 132 | C | 55.5 | Low | 63.3 | Low | 67 Ų | 67 | 59.1 Ų | 59.1 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | trans | -71.7 | 119.9 | -171.3 | -165.8 | 0 | 0 | 0 | 0 | 111.7 | F187 | C132-F187 HydrophobicContact CB-CD1 3.98Å; C132-F187 HydrophobicContact CB-CE1 3.93Å | ||
| 133 | P | 55.3 | Low | 65 | Low | 25 Ų | 25 | 54.7 Ų | 54.7 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | trans | -74.1 | 142.7 | 170.1 | -13 | 30.1 | 0 | 0 | 0 | 110.1 | P115 A118 T131 S135 C136 | P115-P133 HydrophobicContact CG-CG 4.09Å; A118-P133 HydrophobicContact CB-CG 3.77Å; T131-P133 VanDerWaalsContact O-CD 3.24Å; T131-P133 WeakPolarHBondContact O-CD 3.3Å; P133-S135 PolarHBondContact O-N 2.75Å; P133-C136 HydrophobicContact CG-CB 4.42Å; P133-C136 PolarHBondContact O-N 2.83Å | ||
| 134 | P | 52.1 | Low | 66.9 | Low | 146 Ų | 146 | 52 Ų | 52 | 95% | 0.948 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -20.1 | 177.9 | -27.8 | 35.4 | 0 | 0 | 0 | 115.2 | ||
| 135 | S | 51.6 | Low | 69.1 | Low | 109 Ų | 109 | 47.4 Ų | 47.4 | 76% | 0.762 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4.2 | 179.9 | 55.6 | 0 | 0 | 0 | 0 | 115.4 | P133 | P133-S135 PolarHBondContact O-N 2.75Š|
| 136 | C | 55.3 | Low | 70.6 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | trans | -112.6 | 67.5 | -172.2 | -159.9 | 0 | 0 | 0 | 0 | 112.8 | P133 S138 | P133-C136 HydrophobicContact CG-CB 4.42Å; P133-C136 PolarHBondContact O-N 2.83Å; C136-S138 VanDerWaalsContact C-N 3.26Å; C136-S138 PolarHBondContact O-N 3.35Å; C136-S138 VanDerWaalsContact O-N 3.16Å | ||
| 137 | A | 60.4 | Low | 72 | Confident | 89 Ų | 89 | 47.9 Ų | 47.9 | 74% | 0.736 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -66.4 | -14.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 138 | S | 75.5 | Confident | 73.2 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -162.7 | 80.1 | 178.4 | -172.1 | 0 | 0 | 0 | 0 | 112 | C136 R191 | C136-S138 VanDerWaalsContact C-N 3.26Å; C136-S138 PolarHBondContact O-N 3.35Å; C136-S138 VanDerWaalsContact O-N 3.16Å; S138-R191 PolarHBondContact O-NH2 3.37Å; S138-R191 WeakPolarHBondContact OG-CG 3.38Å; S138-R191 PolarHBondContact OG-NE 2.79Å |
| 139 | P | 86.6 | Confident | 73.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | trans | -67.7 | 160 | 179.3 | 28.9 | -35.3 | 0 | 0 | 0 | 112.4 | I114 F184 F187 F190 R191 | I114-P139 HydrophobicContact CD1-CB 3.95Å; I114-P139 HydrophobicContact CG1-CB 3.43Å; I114-P139 VanDerWaalsContact CG1-CB 3.43Å; I114-P139 HydrophobicContact CG1-CG 4.31Å; P139-F184 HydrophobicContact CB-CE1 4.11Å; P139-F184 HydrophobicContact CG-CE1 4.22Å; P139-F187 HydrophobicContact CG-CD1 3.85Å; P139-F187 HydrophobicContact CG-CD2 4.41Å; P139-F187 HydrophobicContact CG-CE1 3.93Å; P139-F187 HydrophobicContact CG-CE2 4.48Å; P139-F187 HydrophobicContact CG-CG 4.1Å; P139-F187 HydrophobicContact CG-CZ 4.25Å; P139-F190 HydrophobicContact CG-CB 4.01Å; P139-R191 PolarHBondContact O-N 2.91Å | ||
| 140 | L | 90.8 | Very high | 74.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 122.2 | -178.8 | -176.6 | 63.4 | 0 | 0 | 0 | 112.6 | S112 V142 L164 R191 L193 L250 L253 | S112-L140 PolarHBondContact O-N 2.82Å; L140-V142 HydrophobicContact CD2-CG2 3.95Å; L140-V142 HydrophobicContact CG-CG2 3.86Å; L140-L164 HydrophobicContact CD2-CD1 4.06Å; L140-R191 WeakPolarHBondContact CA-O 3.46Å; L140-R191 HydrophobicContact CD1-CB 3.85Å; L140-L193 HydrophobicContact CD1-CB 4.11Å; L140-L250 HydrophobicContact CD2-CD2 3.38Å; L140-L253 HydrophobicContact CD1-CD2 3.69Å; L140-L253 HydrophobicContact CD2-CD2 3.96Å |
| 141 | L | 92.3 | Very high | 75.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.2 | 166.2 | 174.8 | 57 | 0 | 0 | 0 | 109.2 | F143 F170 G180 L181 F184 F190 R191 I192 L193 | L141-F143 HydrophobicContact CD1-CE1 4.47Å; L141-F143 HydrophobicContact CD1-CE2 4.35Å; L141-F143 HydrophobicContact CD1-CZ 4.1Å; L141-F143 HydrophobicContact CD2-CE2 3.54Å; L141-F143 HydrophobicContact CD2-CZ 3.68Å; L141-F143 HydrophobicContact CG-CD2 4.33Å; L141-F143 HydrophobicContact CG-CE2 3.76Å; L141-F143 HydrophobicContact CG-CZ 3.98Å; L141-F170 HydrophobicContact CD1-CD2 3.58Å; L141-F170 HydrophobicContact CD1-CE2 3.66Å; L141-G180 WeakPolarHBondContact CD2-O 3.43Å; L141-L181 HydrophobicContact CD2-CD2 4.02Å; L141-F184 HydrophobicContact CB-CD1 4.02Å; L141-F184 HydrophobicContact CB-CD2 4.15Å; L141-F184 HydrophobicContact CB-CE1 3.74Å; L141-F184 HydrophobicContact CB-CE2 3.92Å; L141-F184 HydrophobicContact CB-CG 4.19Å; L141-F184 HydrophobicContact CB-CZ 3.68Å; L141-F184 HydrophobicContact CD1-CD2 3.94Å; L141-F184 HydrophobicContact CD1-CE2 3.71Å; L141-F184 HydrophobicContact CD1-CZ 4.27Å; L141-F184 HydrophobicContact CD2-CB 4.35Å; L141-F184 HydrophobicContact CD2-CD2 4.08Å; L141-F184 HydrophobicContact CD2-CG 4.13Å; L141-F184 HydrophobicContact CG-CD2 4.28Å; L141-F184 HydrophobicContact CG-CE2 4.26Å; L141-F184 HydrophobicContact CG-CZ 4.5Å; L141-F190 HydrophobicContact CD2-CE2 4.13Å; L141-R191 PolarHBondContact N-O 3.02Å; L141-I192 HydrophobicContact CB-CG1 4.41Å; L141-I192 HydrophobicContact CD2-CG1 4.31Å; L141-I192 CarbonylContact O-C 3.51Å; L141-I192 VanDerWaalsContact O-CA 3.32Å; L141-I192 WeakPolarHBondContact O-CA 3.26Å; L141-L193 PolarHBondContact O-N 3.06Å |
| 142 | V | 94.3 | Very high | 76.2 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.2 | 179.1 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | L140 V144 F160 L164 Q168 V169 F170 L193 | L140-V142 HydrophobicContact CD2-CG2 3.95Å; L140-V142 HydrophobicContact CG-CG2 3.86Å; V142-V144 HydrophobicContact CG1-CG2 3.92Å; V142-F160 HydrophobicContact CG1-CD1 4.14Å; V142-F160 HydrophobicContact CG1-CD2 3.92Å; V142-F160 HydrophobicContact CG1-CE1 4.22Å; V142-F160 HydrophobicContact CG1-CE2 4.02Å; V142-F160 HydrophobicContact CG1-CG 3.99Å; V142-F160 HydrophobicContact CG1-CZ 4.16Å; V142-F160 HydrophobicContact CG2-CD1 4.29Å; V142-F160 HydrophobicContact CG2-CE1 4.5Å; V142-L164 HydrophobicContact CG2-CD1 3.42Å; V142-L164 VanDerWaalsContact CG2-CD1 3.42Å; V142-Q168 PolarHBondContact N-O 2.96Å; V142-V169 HydrophobicContact CB-CG1 4.49Å; V142-V169 HydrophobicContact CB-CG2 4.36Å; V142-V169 WeakPolarHBondContact O-CA 3.38Å; V142-F170 PolarHBondContact O-N 3.02Å; V142-L193 HydrophobicContact CG1-CB 4.43Å; V142-L193 HydrophobicContact CG1-CD2 4.46Å; V142-L193 HydrophobicContact CG2-CB 4.31Å |
| 143 | F | 95.3 | Very high | 77.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.2 | 170 | -70.5 | -62.8 | 0 | 0 | 0 | 109.8 | L141 F170 L172 P177 L181 I192 L193 C195 V204 | L141-F143 HydrophobicContact CD1-CE1 4.47Å; L141-F143 HydrophobicContact CD1-CE2 4.35Å; L141-F143 HydrophobicContact CD1-CZ 4.1Å; L141-F143 HydrophobicContact CD2-CE2 3.54Å; L141-F143 HydrophobicContact CD2-CZ 3.68Å; L141-F143 HydrophobicContact CG-CD2 4.33Å; L141-F143 HydrophobicContact CG-CE2 3.76Å; L141-F143 HydrophobicContact CG-CZ 3.98Å; F143-F170 HydrophobicContact CD1-CB 3.73Å; F143-F170 HydrophobicContact CE1-CB 3.81Å; F143-F170 HydrophobicContact CE1-CD2 4.36Å; F143-F170 HydrophobicContact CE1-CG 4.2Å; F143-L172 HydrophobicContact CB-CD1 4.06Å; F143-L172 HydrophobicContact CB-CD2 3.89Å; F143-L172 HydrophobicContact CB-CG 3.88Å; F143-L172 HydrophobicContact CD1-CD2 3.72Å; F143-L172 HydrophobicContact CD1-CG 4.36Å; F143-L172 HydrophobicContact CG-CD2 3.91Å; F143-L172 HydrophobicContact CG-CG 4.42Å; F143-P177 HydrophobicContact CE1-CB 4.26Å; F143-P177 HydrophobicContact CZ-CB 4.2Å; F143-P177 VanDerWaalsContact CZ-O 3.26Å; F143-P177 WeakPolarHBondContact CZ-O 3.39Å; F143-L181 HydrophobicContact CE2-CD2 4.15Å; F143-L181 HydrophobicContact CE2-CG 4.27Å; F143-L181 HydrophobicContact CZ-CD2 4.39Å; F143-L181 HydrophobicContact CZ-CG 4.08Å; F143-I192 HydrophobicContact CD2-CG2 3.72Å; F143-I192 HydrophobicContact CE2-CG2 4.01Å; F143-L193 PolarHBondContact N-O 3.13Å; F143-C195 PolarHBondContact O-N 3.31Å; F143-V204 HydrophobicContact CD2-CG1 4.05Å; F143-V204 HydrophobicContact CD2-CG2 4.12Å; F143-V204 HydrophobicContact CE2-CG1 4.12Å; F143-V204 HydrophobicContact CG-CG2 4.39Å |
| 144 | V | 93.3 | Very high | 79 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.9 | 176.4 | -171.1 | 0 | 0 | 0 | 0 | 110 | V142 S146 G153 F156 L157 F160 F170 D171 L172 C195 | V142-V144 HydrophobicContact CG1-CG2 3.92Å; V144-S146 PolarHBondContact O-N 2.97Å; V144-G153 WeakPolarHBondContact CG1-O 3.19Å; V144-F156 HydrophobicContact CG1-CB 4.42Å; V144-L157 HydrophobicContact CB-CB 4.28Å; V144-L157 HydrophobicContact CB-CD1 3.9Å; V144-L157 HydrophobicContact CG1-CB 4.18Å; V144-L157 HydrophobicContact CG2-CB 4.44Å; V144-L157 HydrophobicContact CG2-CD1 4.03Å; V144-F160 HydrophobicContact CG2-CD2 3.94Å; V144-F160 HydrophobicContact CG2-CE2 4.28Å; V144-F170 PolarHBondContact N-O 2.67Å; V144-D171 CarbonylContact O-C 3.57Å; V144-D171 VanDerWaalsContact O-CA 3.3Å; V144-D171 WeakPolarHBondContact O-CA 3.36Å; V144-L172 PolarHBondContact O-N 3.31Å; V144-C195 HydrophobicContact CB-CB 4.28Å; V144-C195 HydrophobicContact CG1-CB 4.06Å; V144-C195 HydrophobicContact CG2-CB 4.1Å |
| 145 | N | 91.6 | Very high | 80.6 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | trans | -81.8 | 101.2 | 168.9 | -177.2 | -28.7 | 0 | 0 | 0 | 108.9 | K147 S148 L172 C195 S200 | N145-K147 PolarHBondContact O-N 3.34Å; N145-K147 VanDerWaalsContact O-N 3.16Å; N145-K147 PolarHBondContact OD1-N 3.47Å; N145-S148 WeakPolarHBondContact CB-OG 3.17Å; N145-S148 PolarHBondContact ND2-OG 3.33Å; N145-S148 WeakPolarHBondContact O-CB 3.43Å; N145-S148 PolarHBondContact O-N 2.89Å; N145-S148 PolarHBondContact OD1-N 3.12Å; N145-L172 HydrophobicContact CB-CD1 4.32Å; N145-C195 PolarHBondContact N-O 3.01Å; N145-S200 PolarHBondContact ND2-OG 3.1Å | ||
| 146 | S | 86.6 | Confident | 82.4 | Confident | 12 Ų | 12 | 32 Ų | 32 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -28.2 | -176.8 | 50.3 | 0 | 0 | 0 | 0 | 114.8 | V144 D171 V173 | V144-S146 PolarHBondContact O-N 2.97Å; S146-D171 WeakPolarHBondContact CB-OD1 3.31Å; S146-D171 WeakPolarHBondContact CB-OD2 3.38Å; S146-D171 PolarHBondContact N-OD1 3.32Å; S146-D171 VanDerWaalsContact OG-CG 3.27Å; S146-D171 PolarHBondContact OG-OD1 3.02Å; S146-D171 PolarHBondContact OG-OD2 3.17Å; S146-V173 WeakPolarHBondContact OG-CB 3.26Å; S146-V173 WeakPolarHBondContact OG-CG2 3.26Å |
| 147 | K | 83 | Confident | 83.9 | Confident | 146 Ų | 146 | 32.9 Ų | 32.9 | 64% | 0.635 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80 | -11.8 | 177.5 | -70.6 | 172.5 | 175.1 | 170.4 | 0 | 113.8 | N145 V173 | N145-K147 PolarHBondContact O-N 3.34Å; N145-K147 VanDerWaalsContact O-N 3.16Å; N145-K147 PolarHBondContact OD1-N 3.47Å; K147-V173 HydrophobicContact CB-CG2 4.43Å; K147-V173 HydrophobicContact CD-CG1 4.01Å; K147-V173 HydrophobicContact CD-CG2 4.15Å; K147-V173 HydrophobicContact CG-CG1 4.46Å; K147-V173 HydrophobicContact CG-CG2 4.15Å |
| 148 | S | 81 | Confident | 85.1 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 11% | 0.112 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 154.7 | -178.4 | -73 | 0 | 0 | 0 | 0 | 113.4 | N145 N151 Q152 G153 | N145-S148 WeakPolarHBondContact CB-OG 3.17Å; N145-S148 PolarHBondContact ND2-OG 3.33Å; N145-S148 WeakPolarHBondContact O-CB 3.43Å; N145-S148 PolarHBondContact O-N 2.89Å; N145-S148 PolarHBondContact OD1-N 3.12Å; S148-N151 PolarHBondContact O-N 3.45Å; S148-Q152 PolarHBondContact O-N 2.74Å; S148-G153 PolarHBondContact O-N 3.42Å |
| 149 | G | 72.9 | Confident | 85.6 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 47.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | N151 Q152 L224 | G149-N151 PolarHBondContact O-N 2.98Å; G149-Q152 WeakPolarHBondContact O-CB 3.32Å; G149-Q152 WeakPolarHBondContact O-CG 3.33Å; G149-Q152 PolarHBondContact O-N 3Å; G149-Q152 PolarHBondContact O-NE2 3.09Å; G149-L224 WeakPolarHBondContact CA-O 3.39Å; G149-L224 PolarHBondContact N-O 3.28Å |
| 150 | D | 74.1 | Confident | 85.7 | Confident | 69 Ų | 69 | 36.8 Ų | 36.8 | 37% | 0.369 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 38.4 | -178.8 | -62.5 | 40.5 | 0 | 0 | 0 | 112 | Q152 S607 R608 | D150-Q152 VanDerWaalsContact C-N 3.29Å; D150-Q152 PolarHBondContact O-N 3.2Å; D150-S607 WeakPolarHBondContact OD1-CA 3.4Å; D150-S607 VanDerWaalsContact OD2-CA 3.29Å; D150-S607 WeakPolarHBondContact OD2-CA 3.32Å; D150-S607 WeakPolarHBondContact OD2-CB 3.08Å; D150-S607 PolarHBondContact OD2-OG 3.26Å; D150-R608 VanDerWaalsContact OD1-CB 3.29Å; D150-R608 WeakPolarHBondContact OD1-CB 3.48Å; D150-R608 PolarHBondContact OD1-N 2.93Å |
| 151 | N | 73.6 | Confident | 85.5 | Confident | 80 Ų | 80 | 39.4 Ų | 39.4 | 43% | 0.428 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 12.5 | -172.3 | -44 | -85.9 | 0 | 0 | 0 | 115.4 | S148 G149 G153 V154 | S148-N151 PolarHBondContact O-N 3.45Å; G149-N151 PolarHBondContact O-N 2.98Å; N151-G153 PolarHBondContact O-N 3.42Å; N151-V154 PolarHBondContact O-N 2.88Å |
| 152 | Q | 79 | Confident | 85.1 | Confident | 28 Ų | 28 | 40.3 Ų | 40.3 | 13% | 0.131 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -27.1 | 168.3 | -73.5 | -175.6 | 86.3 | 0 | 0 | 112.3 | S148 G149 D150 V154 K155 F156 D241 | S148-Q152 PolarHBondContact O-N 2.74Å; G149-Q152 WeakPolarHBondContact O-CB 3.32Å; G149-Q152 WeakPolarHBondContact O-CG 3.33Å; G149-Q152 PolarHBondContact O-N 3Å; G149-Q152 PolarHBondContact O-NE2 3.09Å; D150-Q152 VanDerWaalsContact C-N 3.29Å; D150-Q152 PolarHBondContact O-N 3.2Å; Q152-V154 PolarHBondContact O-N 2.59Å; Q152-V154 VanDerWaalsContact O-N 3.07Å; Q152-K155 HydrophobicContact CG-CD 4.49Å; Q152-K155 WeakPolarHBondContact O-CA 3.25Å; Q152-K155 VanDerWaalsContact O-CB 3.31Å; Q152-K155 WeakPolarHBondContact O-CB 3.49Å; Q152-K155 PolarHBondContact O-N 2.68Å; Q152-F156 HydrophobicContact CB-CD2 4.31Å; Q152-F156 HydrophobicContact CB-CE2 4.4Å; Q152-F156 WeakPolarHBondContact O-CD2 3.27Å; Q152-F156 PolarHBondContact O-N 2.97Å; Q152-D241 PolarHBondContact NE2-OD1 2.88Å; Q152-D241 VanDerWaalsContact OE1-C 3.29Å; Q152-D241 PolarHBondContact OE1-O 3.19Å; Q152-D241 VanDerWaalsContact OE1-O 3.1Å |
| 153 | G | 84.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -48 | -37.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | V144 S148 N151 K155 F156 L157 | V144-G153 WeakPolarHBondContact CG1-O 3.19Å; S148-G153 PolarHBondContact O-N 3.42Å; N151-G153 PolarHBondContact O-N 3.42Å; G153-K155 PolarHBondContact O-N 2.85Å; G153-F156 PolarHBondContact O-N 3.06Å; G153-L157 VanDerWaalsContact O-CB 3.27Å; G153-L157 WeakPolarHBondContact O-CB 3.22Å; G153-L157 PolarHBondContact O-N 2.92Å |
| 154 | V | 85.4 | Confident | 84.3 | Confident | 50 Ų | 50 | 41.1 Ų | 41.1 | 30% | 0.303 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.9 | -35 | 175 | -178.8 | 0 | 0 | 0 | 0 | 112.7 | N151 Q152 R158 | N151-V154 PolarHBondContact O-N 2.88Å; Q152-V154 PolarHBondContact O-N 2.59Å; Q152-V154 VanDerWaalsContact O-N 3.07Å; V154-R158 WeakPolarHBondContact O-CD 3.38Å; V154-R158 WeakPolarHBondContact O-CG 3.28Å; V154-R158 PolarHBondContact O-N 2.84Å |
| 155 | K | 85.8 | Confident | 83.9 | Confident | 118 Ų | 118 | 41.1 Ų | 41.1 | 51% | 0.513 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66 | -51.3 | 173.4 | -57.9 | 180 | -175.8 | 174.8 | 0 | 110.1 | Q152 G153 L157 R158 R159 | Q152-K155 HydrophobicContact CG-CD 4.49Å; Q152-K155 WeakPolarHBondContact O-CA 3.25Å; Q152-K155 VanDerWaalsContact O-CB 3.31Å; Q152-K155 WeakPolarHBondContact O-CB 3.49Å; Q152-K155 PolarHBondContact O-N 2.68Å; G153-K155 PolarHBondContact O-N 2.85Å; K155-L157 PolarHBondContact O-N 2.77Å; K155-R158 PolarHBondContact O-N 3.23Å; K155-R159 WeakPolarHBondContact O-CB 3.35Å; K155-R159 PolarHBondContact O-N 3.33Å |
| 156 | F | 88.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | -179.6 | -82.6 | -102.7 | 0 | 0 | 0 | 111.4 | V144 Q152 G153 R158 R159 F160 L222 L224 D243 L246 | V144-F156 HydrophobicContact CG1-CB 4.42Å; Q152-F156 HydrophobicContact CB-CD2 4.31Å; Q152-F156 HydrophobicContact CB-CE2 4.4Å; Q152-F156 WeakPolarHBondContact O-CD2 3.27Å; Q152-F156 PolarHBondContact O-N 2.97Å; G153-F156 PolarHBondContact O-N 3.06Å; F156-R158 VanDerWaalsContact C-N 3.34Å; F156-R158 PolarHBondContact O-N 3.22Å; F156-R159 PolarHBondContact O-N 3.36Å; F156-F160 HydrophobicContact CB-CD2 4.43Å; F156-F160 HydrophobicContact CB-CE2 4.31Å; F156-F160 HydrophobicContact CD1-CE2 4.21Å; F156-F160 WeakPolarHBondContact O-CD2 3.46Å; F156-F160 PolarHBondContact O-N 3.26Å; F156-L222 HydrophobicContact CD1-CD2 3.6Å; F156-L222 HydrophobicContact CE1-CD2 3.71Å; F156-L224 HydrophobicContact CB-CD1 4.23Å; F156-L224 HydrophobicContact CD1-CD1 4.41Å; F156-L224 HydrophobicContact CD1-CD2 4.35Å; F156-L224 HydrophobicContact CD2-CD1 4.35Å; F156-L224 HydrophobicContact CD2-CD2 4.26Å; F156-L224 HydrophobicContact CE1-CD2 4.2Å; F156-L224 HydrophobicContact CE2-CD2 4.07Å; F156-L224 HydrophobicContact CG-CD1 4.07Å; F156-L224 HydrophobicContact CG-CD2 4.41Å; F156-L224 HydrophobicContact CZ-CD2 4.04Å; F156-D243 HydrophobicContact CD2-CB 4.41Å; F156-D243 HydrophobicContact CE2-CB 4.22Å; F156-D243 HydrophobicContact CZ-CB 4.31Å; F156-L246 HydrophobicContact CD1-CD1 3.62Å; F156-L246 HydrophobicContact CD1-CD2 3.88Å; F156-L246 HydrophobicContact CD1-CG 3.98Å; F156-L246 HydrophobicContact CE1-CD1 3.96Å; F156-L246 HydrophobicContact CE1-CD2 3.84Å; F156-L246 HydrophobicContact CE1-CG 3.85Å; F156-L246 HydrophobicContact CG-CD1 4.38Å |
| 157 | L | 87.8 | Confident | 83.4 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 13% | 0.126 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -53.7 | -47 | 174.9 | -175.5 | 77.9 | 0 | 0 | 0 | 112.2 | V144 G153 K155 R159 K161 V169 D171 | V144-L157 HydrophobicContact CB-CB 4.28Å; V144-L157 HydrophobicContact CB-CD1 3.9Å; V144-L157 HydrophobicContact CG1-CB 4.18Å; V144-L157 HydrophobicContact CG2-CB 4.44Å; V144-L157 HydrophobicContact CG2-CD1 4.03Å; G153-L157 VanDerWaalsContact O-CB 3.27Å; G153-L157 WeakPolarHBondContact O-CB 3.22Å; G153-L157 PolarHBondContact O-N 2.92Å; K155-L157 PolarHBondContact O-N 2.77Å; L157-R159 VanDerWaalsContact C-N 3.34Å; L157-R159 PolarHBondContact O-N 3.44Å; L157-K161 WeakPolarHBondContact O-CG 3.39Å; L157-K161 PolarHBondContact O-N 3.04Å; L157-V169 HydrophobicContact CD1-CG1 3.85Å; L157-D171 HydrophobicContact CD1-CB 4.13Å; L157-D171 HydrophobicContact CD2-CB 4.1Å |
| 158 | R | 85.2 | Confident | 83.5 | Confident | 135 Ų | 135 | 34.7 Ų | 34.7 | 51% | 0.509 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.8 | -36.2 | 177.1 | -67 | 170.3 | -178.7 | -176.6 | 1.9 | 112 | V154 K155 F156 Q162 | V154-R158 WeakPolarHBondContact O-CD 3.38Å; V154-R158 WeakPolarHBondContact O-CG 3.28Å; V154-R158 PolarHBondContact O-N 2.84Å; K155-R158 PolarHBondContact O-N 3.23Å; F156-R158 VanDerWaalsContact C-N 3.34Å; F156-R158 PolarHBondContact O-N 3.22Å; R158-Q162 WeakPolarHBondContact O-CG 3.13Å; R158-Q162 PolarHBondContact O-N 2.91Å; R158-Q162 PolarHBondContact O-NE2 3.01Å |
| 159 | R | 86.3 | Confident | 84 | Confident | 60 Ų | 60 | 34 Ų | 34 | 23% | 0.226 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.6 | -42.9 | -179.5 | -172.7 | 59.1 | 168.6 | 155.7 | 2.1 | 112.1 | K155 F156 L157 K161 Q162 L163 D243 L246 | K155-R159 WeakPolarHBondContact O-CB 3.35Å; K155-R159 PolarHBondContact O-N 3.33Å; F156-R159 PolarHBondContact O-N 3.36Å; L157-R159 VanDerWaalsContact C-N 3.34Å; L157-R159 PolarHBondContact O-N 3.44Å; R159-K161 PolarHBondContact O-N 3.44Å; R159-Q162 WeakPolarHBondContact O-CB 3.37Å; R159-Q162 PolarHBondContact O-N 2.81Å; R159-Q162 VanDerWaalsContact O-N 3.14Å; R159-L163 PolarHBondContact O-N 3.36Å; R159-D243 HydrophobicContact CB-CB 4.31Å; R159-D243 WeakPolarHBondContact CD-OD2 3.3Å; R159-D243 HydrophobicContact CG-CB 4.11Å; R159-D243 WeakPolarHBondContact CG-OD2 3.28Å; R159-D243 PolarHBondContact NE-O 2.81Å; R159-D243 IonicContact NE-OD2 2.69Å; R159-L246 HydrophobicContact CB-CD1 3.85Å; R159-L246 HydrophobicContact CG-CD1 3.52Å |
| 160 | F | 88.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.9 | -45.5 | 171.4 | -77.7 | -66.3 | 0 | 0 | 0 | 111.5 | V142 V144 F156 Q162 L163 L164 V169 L193 C195 L222 L246 L250 | V142-F160 HydrophobicContact CG1-CD1 4.14Å; V142-F160 HydrophobicContact CG1-CD2 3.92Å; V142-F160 HydrophobicContact CG1-CE1 4.22Å; V142-F160 HydrophobicContact CG1-CE2 4.02Å; V142-F160 HydrophobicContact CG1-CG 3.99Å; V142-F160 HydrophobicContact CG1-CZ 4.16Å; V142-F160 HydrophobicContact CG2-CD1 4.29Å; V142-F160 HydrophobicContact CG2-CE1 4.5Å; V144-F160 HydrophobicContact CG2-CD2 3.94Å; V144-F160 HydrophobicContact CG2-CE2 4.28Å; F156-F160 HydrophobicContact CB-CD2 4.43Å; F156-F160 HydrophobicContact CB-CE2 4.31Å; F156-F160 HydrophobicContact CD1-CE2 4.21Å; F156-F160 WeakPolarHBondContact O-CD2 3.46Å; F156-F160 PolarHBondContact O-N 3.26Å; F160-Q162 PolarHBondContact O-N 3.44Å; F160-L163 PolarHBondContact O-N 3.45Å; F160-L164 HydrophobicContact CD1-CD1 4.05Å; F160-L164 WeakPolarHBondContact O-CB 3.45Å; F160-L164 PolarHBondContact O-N 3.44Å; F160-V169 HydrophobicContact CB-CG1 3.73Å; F160-V169 HydrophobicContact CB-CG2 4.01Å; F160-L193 HydrophobicContact CE1-CD2 3.8Å; F160-L193 HydrophobicContact CZ-CD2 3.58Å; F160-C195 VanDerWaalsContact CE2-SG 3.53Å; F160-L222 HydrophobicContact CE2-CD2 4.32Å; F160-L222 HydrophobicContact CZ-CD2 4.25Å; F160-L246 HydrophobicContact CD2-CD1 4.34Å; F160-L246 HydrophobicContact CE1-CD1 4.42Å; F160-L246 HydrophobicContact CE1-CD2 3.79Å; F160-L246 HydrophobicContact CE2-CD1 4.1Å; F160-L246 HydrophobicContact CE2-CD2 3.95Å; F160-L246 HydrophobicContact CZ-CD1 4.16Å; F160-L246 HydrophobicContact CZ-CD2 3.33Å; F160-L246 HydrophobicContact CZ-CG 4.38Å; F160-L250 HydrophobicContact CE1-CD2 4.14Å |
| 161 | K | 86.6 | Confident | 85.6 | Confident | 54 Ų | 54 | 33.4 Ų | 33.4 | 24% | 0.235 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -20.7 | 177 | -67.6 | -171.2 | 176 | -168.2 | 0 | 114.6 | V14 L157 R159 P166 V169 | V14-K161 HydrophobicContact CG2-CB 4.02Å; L157-K161 WeakPolarHBondContact O-CG 3.39Å; L157-K161 PolarHBondContact O-N 3.04Å; R159-K161 PolarHBondContact O-N 3.44Å; K161-P166 HydrophobicContact CD-CB 4.38Å; K161-P166 HydrophobicContact CG-CB 4.41Å; K161-V169 HydrophobicContact CD-CB 4.42Å; K161-V169 WeakPolarHBondContact CE-O 3.39Å; K161-V169 HydrophobicContact CG-CB 3.73Å; K161-V169 HydrophobicContact CG-CG1 3.81Å; K161-V169 HydrophobicContact CG-CG2 4.19Å; K161-V169 PolarHBondContact NZ-O 3.09Å |
| 162 | Q | 83.9 | Confident | 86.3 | Confident | 19 Ų | 19 | 29.6 Ų | 29.6 | 9% | 0.089 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -77.5 | -38 | 171.3 | -67.7 | 151.9 | 34.3 | 0 | 0 | 112.1 | S13 V14 K16 K32 K89 R158 R159 F160 | S13-Q162 WeakPolarHBondContact O-CG 3.46Å; S13-Q162 PolarHBondContact O-NE2 3.01Å; V14-Q162 WeakPolarHBondContact O-CG 3.48Å; K16-Q162 VanDerWaalsContact CE-CD 3.49Å; K32-Q162 PolarHBondContact NZ-O 3.12Å; K89-Q162 PolarHBondContact NZ-O 3.45Å; R158-Q162 WeakPolarHBondContact O-CG 3.13Å; R158-Q162 PolarHBondContact O-N 2.91Å; R158-Q162 PolarHBondContact O-NE2 3.01Å; R159-Q162 WeakPolarHBondContact O-CB 3.37Å; R159-Q162 PolarHBondContact O-N 2.81Å; R159-Q162 VanDerWaalsContact O-N 3.14Å; F160-Q162 PolarHBondContact O-N 3.44Å |
| 163 | L | 85 | Confident | 86.7 | Confident | 17 Ų | 17 | 30.6 Ų | 30.6 | 9% | 0.089 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -78.5 | -64.5 | -178.1 | -61.3 | 173.9 | 0 | 0 | 0 | 110.1 | K32 R159 F160 L246 P247 L250 | K32-L163 PolarHBondContact NZ-O 3Å; R159-L163 PolarHBondContact O-N 3.36Å; F160-L163 PolarHBondContact O-N 3.45Å; L163-L246 HydrophobicContact CD1-CB 4.17Å; L163-P247 HydrophobicContact CD1-CG 4.29Å; L163-P247 HydrophobicContact CD2-CG 4.4Å; L163-L250 HydrophobicContact CB-CD1 4.43Å; L163-L250 HydrophobicContact CD1-CD1 3.92Å |
| 164 | L | 87.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -82.6 | 173.3 | -175.7 | -64.3 | -178.8 | 0 | 0 | 0 | 112.8 | K32 I113 L140 V142 F160 Q168 V169 L250 | K32-L164 PolarHBondContact NZ-O 2.81Å; I113-L164 HydrophobicContact CG1-CD2 3.75Å; L140-L164 HydrophobicContact CD2-CD1 4.06Å; V142-L164 HydrophobicContact CG2-CD1 3.42Å; V142-L164 VanDerWaalsContact CG2-CD1 3.42Å; F160-L164 HydrophobicContact CD1-CD1 4.05Å; F160-L164 WeakPolarHBondContact O-CB 3.45Å; F160-L164 PolarHBondContact O-N 3.44Å; L164-Q168 VanDerWaalsContact CB-OE1 3.32Å; L164-V169 HydrophobicContact CB-CG2 4.08Å; L164-V169 HydrophobicContact CD1-CG2 4.34Å; L164-L250 HydrophobicContact CD2-CD1 4.5Å |
| 165 | N | 85.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -68.5 | 131.4 | 171.5 | -176.2 | -26.9 | 0 | 0 | 0 | 108.3 | T34 W87 I114 A167 Q168 | T34-N165 PolarHBondContact O-ND2 2.93Å; W87-N165 HydrophobicContact CH2-CB 4.13Å; W87-N165 HydrophobicContact CZ3-CB 4.23Å; I114-N165 PolarHBondContact O-ND2 3.37Å; N165-A167 PolarHBondContact O-N 2.86Å; N165-A167 WeakPolarHBondContact OD1-CB 3.47Å; N165-A167 PolarHBondContact OD1-N 3.24Å; N165-Q168 VanDerWaalsContact CB-CD 3.48Å; N165-Q168 HydrophobicContact CB-CG 4.05Å; N165-Q168 WeakPolarHBondContact O-CB 3.31Å; N165-Q168 PolarHBondContact O-N 3.21Å | ||
| 166 | P | 84.7 | Confident | 86.4 | Confident | 22 Ų | 22 | 31 Ų | 31 | 14% | 0.143 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -53 | -25.6 | 177.5 | -28.4 | 35.3 | 0 | 0 | 0 | 115.4 | V14 T34 K161 Q168 V169 | V14-P166 HydrophobicContact CG1-CG 3.64Å; T34-P166 HydrophobicContact CG2-CB 3.94Å; T34-P166 HydrophobicContact CG2-CG 4.05Å; K161-P166 HydrophobicContact CD-CB 4.38Å; K161-P166 HydrophobicContact CG-CB 4.41Å; P166-Q168 VanDerWaalsContact C-N 3.29Å; P166-Q168 PolarHBondContact O-N 3.17Å; P166-V169 PolarHBondContact O-N 3.44Å |
| 167 | A | 82.4 | Confident | 86.5 | Confident | 26 Ų | 26 | 31.2 Ų | 31.2 | 22% | 0.215 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -72.7 | -12.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L119 N165 F170 | L119-A167 HydrophobicContact CD1-CB 4.12Å; N165-A167 PolarHBondContact O-N 2.86Å; N165-A167 WeakPolarHBondContact OD1-CB 3.47Å; N165-A167 PolarHBondContact OD1-N 3.24Å; A167-F170 WeakPolarHBondContact O-CE2 3.48Å; A167-F170 WeakPolarHBondContact O-CZ 3.34Å |
| 168 | Q | 85.7 | Confident | 86.6 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -90.2 | -7.7 | 176.7 | -65.2 | 155 | 4.3 | 0 | 0 | 113.2 | I114 V142 L164 N165 P166 F184 | I114-Q168 VanDerWaalsContact CB-NE2 3.32Å; I114-Q168 HydrophobicContact CD1-CG 4.42Å; I114-Q168 PolarHBondContact O-NE2 3.01Å; V142-Q168 PolarHBondContact N-O 2.96Å; L164-Q168 VanDerWaalsContact CB-OE1 3.32Å; N165-Q168 VanDerWaalsContact CB-CD 3.48Å; N165-Q168 HydrophobicContact CB-CG 4.05Å; N165-Q168 WeakPolarHBondContact O-CB 3.31Å; N165-Q168 PolarHBondContact O-N 3.21Å; P166-Q168 VanDerWaalsContact C-N 3.29Å; P166-Q168 PolarHBondContact O-N 3.17Å; Q168-F184 HydrophobicContact CG-CZ 4.27Å |
| 169 | V | 90.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 101.8 | -162.1 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | V142 L157 F160 K161 L164 P166 | V142-V169 HydrophobicContact CB-CG1 4.49Å; V142-V169 HydrophobicContact CB-CG2 4.36Å; V142-V169 WeakPolarHBondContact O-CA 3.38Å; L157-V169 HydrophobicContact CD1-CG1 3.85Å; F160-V169 HydrophobicContact CB-CG1 3.73Å; F160-V169 HydrophobicContact CB-CG2 4.01Å; K161-V169 HydrophobicContact CD-CB 4.42Å; K161-V169 WeakPolarHBondContact CE-O 3.39Å; K161-V169 HydrophobicContact CG-CB 3.73Å; K161-V169 HydrophobicContact CG-CG1 3.81Å; K161-V169 HydrophobicContact CG-CG2 4.19Å; K161-V169 PolarHBondContact NZ-O 3.09Å; L164-V169 HydrophobicContact CB-CG2 4.08Å; L164-V169 HydrophobicContact CD1-CG2 4.34Å; P166-V169 PolarHBondContact O-N 3.44Å |
| 170 | F | 90.2 | Very high | 86.5 | Confident | 44 Ų | 44 | 27.4 Ų | 27.4 | 19% | 0.193 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 148.3 | -173.8 | -64.4 | -94.7 | 0 | 0 | 0 | 111.2 | L141 V142 F143 V144 A167 L179 L183 | L141-F170 HydrophobicContact CD1-CD2 3.58Å; L141-F170 HydrophobicContact CD1-CE2 3.66Å; V142-F170 PolarHBondContact O-N 3.02Å; F143-F170 HydrophobicContact CD1-CB 3.73Å; F143-F170 HydrophobicContact CE1-CB 3.81Å; F143-F170 HydrophobicContact CE1-CD2 4.36Å; F143-F170 HydrophobicContact CE1-CG 4.2Å; V144-F170 PolarHBondContact N-O 2.67Å; A167-F170 WeakPolarHBondContact O-CE2 3.48Å; A167-F170 WeakPolarHBondContact O-CZ 3.34Å; F170-L179 HydrophobicContact CD1-CB 4.5Å; F170-L179 HydrophobicContact CE1-CB 4.25Å; F170-L183 HydrophobicContact CE2-CD2 4.27Å; F170-L183 HydrophobicContact CZ-CD2 3.93Å |
| 171 | D | 90.4 | Very high | 86.5 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 11% | 0.107 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.9 | 172.4 | -178.7 | -5 | 0 | 0 | 0 | 108.6 | V144 S146 L157 V173 N174 | V144-D171 CarbonylContact O-C 3.57Å; V144-D171 VanDerWaalsContact O-CA 3.3Å; V144-D171 WeakPolarHBondContact O-CA 3.36Å; S146-D171 WeakPolarHBondContact CB-OD1 3.31Å; S146-D171 WeakPolarHBondContact CB-OD2 3.38Å; S146-D171 PolarHBondContact N-OD1 3.32Å; S146-D171 VanDerWaalsContact OG-CG 3.27Å; S146-D171 PolarHBondContact OG-OD1 3.02Å; S146-D171 PolarHBondContact OG-OD2 3.17Å; L157-D171 HydrophobicContact CD1-CB 4.13Å; L157-D171 HydrophobicContact CD2-CB 4.1Å; D171-V173 PolarHBondContact O-N 3.49Å; D171-V173 WeakPolarHBondContact OD1-CB 3.22Å; D171-V173 PolarHBondContact OD1-N 3.3Å; D171-N174 HydrophobicContact CB-CB 4.17Å; D171-N174 CarbonylContact O-C 3.55Å; D171-N174 VanDerWaalsContact O-C 3.31Å; D171-N174 PolarHBondContact O-N 2.92Å; D171-N174 PolarHBondContact OD2-ND2 2.9Å |
| 172 | L | 90 | Very high | 86.4 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.3 | -178.1 | -72.3 | 171.4 | 0 | 0 | 0 | 112.1 | F143 V144 N145 N174 G176 P177 V194 W203 V204 | F143-L172 HydrophobicContact CB-CD1 4.06Å; F143-L172 HydrophobicContact CB-CD2 3.89Å; F143-L172 HydrophobicContact CB-CG 3.88Å; F143-L172 HydrophobicContact CD1-CD2 3.72Å; F143-L172 HydrophobicContact CD1-CG 4.36Å; F143-L172 HydrophobicContact CG-CD2 3.91Å; F143-L172 HydrophobicContact CG-CG 4.42Å; V144-L172 PolarHBondContact O-N 3.31Å; N145-L172 HydrophobicContact CB-CD1 4.32Å; L172-N174 VanDerWaalsContact C-N 3.32Å; L172-G176 WeakPolarHBondContact O-CA 3.39Å; L172-G176 PolarHBondContact O-N 3.5Å; L172-P177 HydrophobicContact CD2-CB 4.03Å; L172-P177 HydrophobicContact CD2-CG 4.46Å; L172-V194 HydrophobicContact CD1-CG1 4.32Å; L172-W203 HydrophobicContact CB-CE3 4.42Å; L172-W203 HydrophobicContact CB-CZ3 3.98Å; L172-W203 WeakPolarHBondContact O-CH2 3.21Å; L172-W203 VanDerWaalsContact O-CZ3 3.3Å; L172-W203 WeakPolarHBondContact O-CZ3 3.44Å; L172-V204 HydrophobicContact CD1-CG2 4.3Å; L172-V204 HydrophobicContact CD2-CG2 3.88Å |
| 173 | V | 86.6 | Confident | 86.2 | Confident | 48 Ų | 48 | 29.1 Ų | 29.1 | 29% | 0.291 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -23.7 | 179 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | S146 K147 D171 | S146-V173 WeakPolarHBondContact OG-CB 3.26Å; S146-V173 WeakPolarHBondContact OG-CG2 3.26Å; K147-V173 HydrophobicContact CB-CG2 4.43Å; K147-V173 HydrophobicContact CD-CG1 4.01Å; K147-V173 HydrophobicContact CD-CG2 4.15Å; K147-V173 HydrophobicContact CG-CG1 4.46Å; K147-V173 HydrophobicContact CG-CG2 4.15Å; D171-V173 PolarHBondContact O-N 3.49Å; D171-V173 WeakPolarHBondContact OD1-CB 3.22Å; D171-V173 PolarHBondContact OD1-N 3.3Å |
| 174 | N | 82.9 | Confident | 86.1 | Confident | 119 Ų | 119 | 28.3 Ų | 28.3 | 64% | 0.636 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.1 | 76 | -172.4 | -66 | -62.9 | 0 | 0 | 0 | 110.4 | D171 L172 | D171-N174 HydrophobicContact CB-CB 4.17Å; D171-N174 CarbonylContact O-C 3.55Å; D171-N174 VanDerWaalsContact O-C 3.31Å; D171-N174 PolarHBondContact O-N 2.92Å; D171-N174 PolarHBondContact OD2-ND2 2.9Å; L172-N174 VanDerWaalsContact C-N 3.32Å |
| 175 | G | 76.9 | Confident | 85.8 | Confident | 50 Ų | 50 | 32 Ų | 32 | 52% | 0.515 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 115.9 | -9.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 176 | G | 88.8 | Confident | 85.2 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | -174.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L172 | L172-G176 WeakPolarHBondContact O-CA 3.39Å; L172-G176 PolarHBondContact O-N 3.5Å |
| 177 | P | 92.4 | Very high | 84.8 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.019 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -29.1 | -179.1 | 26.7 | -32 | 0 | 0 | 0 | 114.2 | F143 L172 L179 G180 L181 W203 V204 E207 | F143-P177 HydrophobicContact CE1-CB 4.26Å; F143-P177 HydrophobicContact CZ-CB 4.2Å; F143-P177 VanDerWaalsContact CZ-O 3.26Å; F143-P177 WeakPolarHBondContact CZ-O 3.39Å; L172-P177 HydrophobicContact CD2-CB 4.03Å; L172-P177 HydrophobicContact CD2-CG 4.46Å; P177-L179 PolarHBondContact O-N 2.96Å; P177-G180 PolarHBondContact O-N 3.01Å; P177-L181 HydrophobicContact CB-CD1 4.3Å; P177-L181 PolarHBondContact O-N 3.42Å; P177-L181 VanDerWaalsContact O-N 3.13Å; P177-W203 HydrophobicContact CG-CD2 4.33Å; P177-W203 HydrophobicContact CG-CG 4.38Å; P177-V204 HydrophobicContact CB-CG2 4.12Å; P177-E207 HydrophobicContact CB-CB 4.16Å; P177-E207 HydrophobicContact CB-CG 4.33Å; P177-E207 HydrophobicContact CG-CB 3.77Å; P177-E207 HydrophobicContact CG-CG 3.97Å |
| 178 | H | 89.8 | Confident | 84.5 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 33% | 0.333 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -54.4 | -47.4 | -169.3 | -173 | 92.4 | 0 | 0 | 0 | 113.6 | G180 L181 R182 E207 | H178-G180 VanDerWaalsContact C-N 3.34Å; H178-G180 PolarHBondContact O-N 3.45Å; H178-L181 PolarHBondContact O-N 2.75Å; H178-R182 WeakPolarHBondContact O-CB 3.49Å; H178-R182 PolarHBondContact O-N 3.47Å; H178-E207 HydrophobicContact CB-CG 4.16Å; H178-E207 IonicContact CE1-OE1 2.81Å; H178-E207 IonicContact CG-OE1 3.4Å; H178-E207 IonicContact ND1-OE1 2.65Å; H178-E207 PolarHBondContact ND1-OE1 2.82Å |
| 179 | L | 83.4 | Confident | 84.5 | Confident | 68 Ų | 68 | 44.7 Ų | 44.7 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -40.3 | -177.7 | -64.2 | 175.1 | 0 | 0 | 0 | 112.8 | F127 F170 P177 L183 | F127-L179 HydrophobicContact CD1-CD2 4.13Å; F127-L179 HydrophobicContact CE1-CD2 3.49Å; F127-L179 VanDerWaalsContact CE1-CD2 3.49Å; F127-L179 HydrophobicContact CZ-CD2 4.18Å; F170-L179 HydrophobicContact CD1-CB 4.5Å; F170-L179 HydrophobicContact CE1-CB 4.25Å; P177-L179 PolarHBondContact O-N 2.96Å; L179-L183 PolarHBondContact O-N 3.01Å |
| 180 | G | 85.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.5 | -38.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L141 P177 H178 F184 | L141-G180 WeakPolarHBondContact CD2-O 3.43Å; P177-G180 PolarHBondContact O-N 3.01Å; H178-G180 VanDerWaalsContact C-N 3.34Å; H178-G180 PolarHBondContact O-N 3.45Å; G180-F184 WeakPolarHBondContact O-CD2 3.34Å; G180-F184 PolarHBondContact O-N 2.96Å |
| 181 | L | 89.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 176.5 | -66.1 | 172.5 | 0 | 0 | 0 | 111.7 | L141 F143 P177 H178 L183 F184 Q185 I192 E207 I208 L211 L213 | L141-L181 HydrophobicContact CD2-CD2 4.02Å; F143-L181 HydrophobicContact CE2-CD2 4.15Å; F143-L181 HydrophobicContact CE2-CG 4.27Å; F143-L181 HydrophobicContact CZ-CD2 4.39Å; F143-L181 HydrophobicContact CZ-CG 4.08Å; P177-L181 HydrophobicContact CB-CD1 4.3Å; P177-L181 PolarHBondContact O-N 3.42Å; P177-L181 VanDerWaalsContact O-N 3.13Å; H178-L181 PolarHBondContact O-N 2.75Å; L181-L183 VanDerWaalsContact C-N 3.3Å; L181-L183 PolarHBondContact O-N 3.34Å; L181-F184 CarbonylContact O-C 3.59Å; L181-F184 PolarHBondContact O-N 2.93Å; L181-F184 VanDerWaalsContact O-N 3.07Å; L181-Q185 PolarHBondContact O-N 2.94Å; L181-I192 HydrophobicContact CD2-CD1 3.73Å; L181-E207 HydrophobicContact CD1-CB 3.7Å; L181-E207 HydrophobicContact CD1-CG 3.75Å; L181-I208 HydrophobicContact CD1-CG1 3.88Å; L181-I208 HydrophobicContact CD2-CD1 4.43Å; L181-I208 HydrophobicContact CD2-CG1 3.83Å; L181-L211 HydrophobicContact CB-CD1 3.49Å; L181-L211 VanDerWaalsContact CB-CD1 3.49Å; L181-L211 HydrophobicContact CD1-CD1 4.14Å; L181-L211 HydrophobicContact CG-CD1 4.47Å; L181-L213 HydrophobicContact CB-CD1 4.05Å; L181-L213 HydrophobicContact CD2-CD1 4.28Å |
| 182 | R | 84.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 42.1 Ų | 42.1 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.7 | -34.9 | 177.3 | -165.7 | 174.8 | -171 | -159.6 | -2.3 | 112.6 | D125 F127 H178 F184 | D125-R182 IonicContact OD2-CZ 3.29Å; D125-R182 VanDerWaalsContact OD2-CZ 3.23Å; D125-R182 IonicContact OD2-NH1 3.29Å; D125-R182 PolarHBondContact OD2-NH1 2.94Å; D125-R182 IonicContact OD2-NH2 2.69Å; D125-R182 PolarHBondContact OD2-NH2 3.16Å; F127-R182 VanDerWaalsContact CD2-NH1 3.31Å; F127-R182 VanDerWaalsContact CE2-NH1 3.31Å; H178-R182 WeakPolarHBondContact O-CB 3.49Å; H178-R182 PolarHBondContact O-N 3.47Å; R182-F184 VanDerWaalsContact C-N 3.34Å |
| 183 | L | 79.5 | Confident | 85 | Confident | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -36.7 | 172.2 | 174.2 | 61 | 0 | 0 | 0 | 112.6 | L119 W128 A130 F170 L179 L181 | L119-L183 HydrophobicContact CD2-CD1 3.97Å; W128-L183 HydrophobicContact CB-CD1 3.88Å; W128-L183 WeakPolarHBondContact O-CD1 3.43Å; A130-L183 HydrophobicContact CB-CD1 4.47Å; F170-L183 HydrophobicContact CE2-CD2 4.27Å; F170-L183 HydrophobicContact CZ-CD2 3.93Å; L179-L183 PolarHBondContact O-N 3.01Å; L181-L183 VanDerWaalsContact C-N 3.3Å; L181-L183 PolarHBondContact O-N 3.34Å |
| 184 | F | 82.5 | Confident | 85.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -93.4 | -9.6 | -175.4 | -83.2 | -113.2 | 0 | 0 | 0 | 114.6 | I114 P139 L141 Q168 G180 L181 R182 K186 F187 F190 | I114-F184 HydrophobicContact CD1-CD1 4.45Å; I114-F184 HydrophobicContact CD1-CE1 3.64Å; I114-F184 HydrophobicContact CD1-CE2 3.97Å; I114-F184 HydrophobicContact CD1-CZ 3.37Å; I114-F184 HydrophobicContact CG1-CZ 4.47Å; P139-F184 HydrophobicContact CB-CE1 4.11Å; P139-F184 HydrophobicContact CG-CE1 4.22Å; L141-F184 HydrophobicContact CB-CD1 4.02Å; L141-F184 HydrophobicContact CB-CD2 4.15Å; L141-F184 HydrophobicContact CB-CE1 3.74Å; L141-F184 HydrophobicContact CB-CE2 3.92Å; L141-F184 HydrophobicContact CB-CG 4.19Å; L141-F184 HydrophobicContact CB-CZ 3.68Å; L141-F184 HydrophobicContact CD1-CD2 3.94Å; L141-F184 HydrophobicContact CD1-CE2 3.71Å; L141-F184 HydrophobicContact CD1-CZ 4.27Å; L141-F184 HydrophobicContact CD2-CB 4.35Å; L141-F184 HydrophobicContact CD2-CD2 4.08Å; L141-F184 HydrophobicContact CD2-CG 4.13Å; L141-F184 HydrophobicContact CG-CD2 4.28Å; L141-F184 HydrophobicContact CG-CE2 4.26Å; L141-F184 HydrophobicContact CG-CZ 4.5Å; Q168-F184 HydrophobicContact CG-CZ 4.27Å; G180-F184 WeakPolarHBondContact O-CD2 3.34Å; G180-F184 PolarHBondContact O-N 2.96Å; L181-F184 CarbonylContact O-C 3.59Å; L181-F184 PolarHBondContact O-N 2.93Å; L181-F184 VanDerWaalsContact O-N 3.07Å; R182-F184 VanDerWaalsContact C-N 3.34Å; F184-K186 PolarHBondContact O-N 2.97Å; F184-F187 HydrophobicContact CB-CD2 4.35Å; F184-F187 AromaticContact CD1-CD2 4Å; F184-F187 HydrophobicContact CD1-CD2 4Å; F184-F187 HydrophobicContact CD1-CE2 4.22Å; F184-F187 HydrophobicContact CG-CD2 4.28Å; F184-F187 HydrophobicContact CG-CE2 4.46Å; F184-F187 PolarHBondContact O-N 2.99Å; F184-F190 HydrophobicContact CB-CD1 4.38Å; F184-F190 HydrophobicContact CB-CD2 3.95Å; F184-F190 HydrophobicContact CB-CE1 4.16Å; F184-F190 HydrophobicContact CB-CE2 3.68Å; F184-F190 HydrophobicContact CB-CG 4.29Å; F184-F190 HydrophobicContact CB-CZ 3.8Å; F184-F190 HydrophobicContact CD1-CB 3.93Å; F184-F190 AromaticContact CD1-CD2 3.55Å; F184-F190 HydrophobicContact CD1-CD2 3.55Å; F184-F190 HydrophobicContact CD1-CE2 4.14Å; F184-F190 AromaticContact CD1-CG 3.8Å; F184-F190 HydrophobicContact CD1-CG 3.8Å; F184-F190 HydrophobicContact CE1-CB 4.48Å; F184-F190 HydrophobicContact CE1-CD2 4.4Å; F184-F190 HydrophobicContact CG-CD2 4.11Å; F184-F190 HydrophobicContact CG-CE2 4.23Å |
| 185 | Q | 80.3 | Confident | 85.9 | Confident | 77 Ų | 77 | 34.1 Ų | 34.1 | 36% | 0.36 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -17.6 | -179.6 | -180 | 170.4 | 33.7 | 0 | 0 | 115.4 | L181 L213 | L181-Q185 PolarHBondContact O-N 2.94Å; Q185-L213 HydrophobicContact CB-CD2 4.31Å; Q185-L213 HydrophobicContact CG-CD2 3.95Å |
| 186 | K | 74.2 | Confident | 86.6 | Confident | 101 Ų | 101 | 31.7 Ų | 31.7 | 44% | 0.439 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 8.3 | -178.6 | -64 | 171 | -175.1 | 162.6 | 0 | 113.8 | D123 K129 F184 | D123-K186 IonicContact OD2-NZ 3.23Å; D123-K186 PolarHBondContact OD2-NZ 3.5Å; K129-K186 HydrophobicContact CG-CD 4.21Å; F184-K186 PolarHBondContact O-N 2.97Å |
| 187 | F | 77.1 | Confident | 86.6 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -99.1 | 135.5 | 169 | -68.8 | -83.7 | 0 | 0 | 0 | 110.6 | I114 A130 C132 P139 F184 N189 F190 | I114-F187 HydrophobicContact CD1-CE2 3.68Å; I114-F187 HydrophobicContact CD1-CZ 3.58Å; I114-F187 HydrophobicContact CG1-CZ 4.03Å; A130-F187 HydrophobicContact CB-CE2 3.51Å; A130-F187 HydrophobicContact CB-CZ 3.61Å; C132-F187 HydrophobicContact CB-CD1 3.98Å; C132-F187 HydrophobicContact CB-CE1 3.93Å; P139-F187 HydrophobicContact CG-CD1 3.85Å; P139-F187 HydrophobicContact CG-CD2 4.41Å; P139-F187 HydrophobicContact CG-CE1 3.93Å; P139-F187 HydrophobicContact CG-CE2 4.48Å; P139-F187 HydrophobicContact CG-CG 4.1Å; P139-F187 HydrophobicContact CG-CZ 4.25Å; F184-F187 HydrophobicContact CB-CD2 4.35Å; F184-F187 AromaticContact CD1-CD2 4Å; F184-F187 HydrophobicContact CD1-CD2 4Å; F184-F187 HydrophobicContact CD1-CE2 4.22Å; F184-F187 HydrophobicContact CG-CD2 4.28Å; F184-F187 HydrophobicContact CG-CE2 4.46Å; F184-F187 PolarHBondContact O-N 2.99Å; F187-N189 PolarHBondContact O-N 3.43Å; F187-F190 HydrophobicContact CB-CB 4.47Å; F187-F190 HydrophobicContact CB-CD1 4.23Å |
| 188 | D | 75.6 | Confident | 86.5 | Confident | 128 Ų | 128 | 32.2 Ų | 32.2 | 68% | 0.684 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -65 | -37.7 | -179.8 | -54.2 | -71.7 | 0 | 0 | 0 | 113 | Q216 | D188-Q216 WeakPolarHBondContact O-CB 3.16Å; D188-Q216 WeakPolarHBondContact O-CG 3.26Å |
| 189 | N | 85.3 | Confident | 86.5 | Confident | 83 Ų | 83 | 31 Ų | 31 | 44% | 0.444 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -141.8 | 137.4 | 173.3 | -75.1 | -62.4 | 0 | 0 | 0 | 110.6 | F187 Q216 | F187-N189 PolarHBondContact O-N 3.43Å; N189-Q216 CarbonylContact C-O 3.31Å; N189-Q216 VanDerWaalsContact CA-O 3.31Å; N189-Q216 WeakPolarHBondContact CA-O 3.26Å |
| 190 | F | 89.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 159.9 | 174.7 | 64.7 | -82.4 | 0 | 0 | 0 | 112.4 | P139 L141 F184 F187 I192 L213 Q216 C217 Q218 | P139-F190 HydrophobicContact CG-CB 4.01Å; L141-F190 HydrophobicContact CD2-CE2 4.13Å; F184-F190 HydrophobicContact CB-CD1 4.38Å; F184-F190 HydrophobicContact CB-CD2 3.95Å; F184-F190 HydrophobicContact CB-CE1 4.16Å; F184-F190 HydrophobicContact CB-CE2 3.68Å; F184-F190 HydrophobicContact CB-CG 4.29Å; F184-F190 HydrophobicContact CB-CZ 3.8Å; F184-F190 HydrophobicContact CD1-CB 3.93Å; F184-F190 AromaticContact CD1-CD2 3.55Å; F184-F190 HydrophobicContact CD1-CD2 3.55Å; F184-F190 HydrophobicContact CD1-CE2 4.14Å; F184-F190 AromaticContact CD1-CG 3.8Å; F184-F190 HydrophobicContact CD1-CG 3.8Å; F184-F190 HydrophobicContact CE1-CB 4.48Å; F184-F190 HydrophobicContact CE1-CD2 4.4Å; F184-F190 HydrophobicContact CG-CD2 4.11Å; F184-F190 HydrophobicContact CG-CE2 4.23Å; F187-F190 HydrophobicContact CB-CB 4.47Å; F187-F190 HydrophobicContact CB-CD1 4.23Å; F190-I192 HydrophobicContact CD2-CD1 4.49Å; F190-I192 HydrophobicContact CD2-CG1 3.92Å; F190-I192 HydrophobicContact CE2-CD1 3.74Å; F190-I192 HydrophobicContact CE2-CG1 3.64Å; F190-I192 HydrophobicContact CZ-CD1 4.45Å; F190-L213 HydrophobicContact CZ-CD1 4.25Å; F190-Q216 HydrophobicContact CD1-CB 4.41Å; F190-Q216 HydrophobicContact CE1-CB 4.14Å; F190-Q216 PolarHBondContact N-O 3.19Å; F190-C217 HydrophobicContact CD2-CB 4.37Å; F190-C217 HydrophobicContact CE1-CB 4.08Å; F190-C217 HydrophobicContact CE2-CB 3.86Å; F190-C217 HydrophobicContact CZ-CB 3.7Å; F190-C217 WeakPolarHBondContact O-CA 3.41Å; F190-Q218 PolarHBondContact O-N 2.71Å |
| 191 | R | 92.1 | Very high | 87.3 | Confident | 11 Ų | 11 | 28.3 Ų | 28.3 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 146 | 176.5 | -70.7 | 172.4 | -64.2 | 127.2 | 12 | 110.4 | S112 S138 P139 L140 L141 Q218 L253 E254 L753 | S112-R191 PolarHBondContact OG-NH2 2.89Å; S138-R191 PolarHBondContact O-NH2 3.37Å; S138-R191 WeakPolarHBondContact OG-CG 3.38Å; S138-R191 PolarHBondContact OG-NE 2.79Å; P139-R191 PolarHBondContact O-N 2.91Å; L140-R191 WeakPolarHBondContact CA-O 3.46Å; L140-R191 HydrophobicContact CD1-CB 3.85Å; L141-R191 PolarHBondContact N-O 3.02Å; R191-Q218 CarbonylContact C-O 3.51Å; R191-Q218 WeakPolarHBondContact CA-O 3.43Å; R191-Q218 HydrophobicContact CG-CB 4.14Å; R191-L253 PolarHBondContact NH1-O 2.69Å; R191-E254 VanDerWaalsContact NH1-CG 3.32Å; R191-L753 HydrophobicContact CB-CD1 4.31Å; R191-L753 HydrophobicContact CG-CD1 4.09Å |
| 192 | I | 94.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.2 | 175.8 | -56.1 | 178.8 | 0 | 0 | 0 | 108 | L141 F143 L181 F190 V194 V204 I208 C217 Q218 L219 G220 | L141-I192 HydrophobicContact CB-CG1 4.41Å; L141-I192 HydrophobicContact CD2-CG1 4.31Å; L141-I192 CarbonylContact O-C 3.51Å; L141-I192 VanDerWaalsContact O-CA 3.32Å; L141-I192 WeakPolarHBondContact O-CA 3.26Å; F143-I192 HydrophobicContact CD2-CG2 3.72Å; F143-I192 HydrophobicContact CE2-CG2 4.01Å; L181-I192 HydrophobicContact CD2-CD1 3.73Å; F190-I192 HydrophobicContact CD2-CD1 4.49Å; F190-I192 HydrophobicContact CD2-CG1 3.92Å; F190-I192 HydrophobicContact CE2-CD1 3.74Å; F190-I192 HydrophobicContact CE2-CG1 3.64Å; F190-I192 HydrophobicContact CZ-CD1 4.45Å; I192-V194 HydrophobicContact CG2-CG2 4.03Å; I192-V204 HydrophobicContact CG2-CG1 4.39Å; I192-I208 HydrophobicContact CD1-CD1 3.7Å; I192-I208 HydrophobicContact CD1-CG1 4.36Å; I192-C217 HydrophobicContact CD1-CB 3.62Å; I192-C217 HydrophobicContact CG1-CB 4.15Å; I192-Q218 PolarHBondContact N-O 3.05Å; I192-L219 HydrophobicContact CB-CB 4.49Å; I192-L219 HydrophobicContact CB-CG 4.28Å; I192-L219 HydrophobicContact CG2-CD1 4.36Å; I192-L219 HydrophobicContact CG2-CG 4.29Å; I192-L219 WeakPolarHBondContact O-CA 3.4Å; I192-G220 PolarHBondContact O-N 3.09Å |
| 193 | L | 95 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 116.9 | 168.5 | -177.5 | 64.5 | 0 | 0 | 0 | 110.2 | L140 L141 V142 F143 F160 L222 L253 | L140-L193 HydrophobicContact CD1-CB 4.11Å; L141-L193 PolarHBondContact O-N 3.06Å; V142-L193 HydrophobicContact CG1-CB 4.43Å; V142-L193 HydrophobicContact CG1-CD2 4.46Å; V142-L193 HydrophobicContact CG2-CB 4.31Å; F143-L193 PolarHBondContact N-O 3.13Å; F160-L193 HydrophobicContact CE1-CD2 3.8Å; F160-L193 HydrophobicContact CZ-CD2 3.58Å; L193-L222 HydrophobicContact CD1-CB 4.2Å; L193-L253 HydrophobicContact CB-CD2 3.99Å; L193-L253 HydrophobicContact CD1-CD1 4.27Å; L193-L253 HydrophobicContact CD1-CD2 4.04Å; L193-L253 HydrophobicContact CD2-CD2 4.13Å; L193-L253 HydrophobicContact CG-CD2 4.28Å |
| 194 | V | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 114 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | L172 I192 V201 V204 L219 G220 L222 | L172-V194 HydrophobicContact CD1-CG1 4.32Å; I192-V194 HydrophobicContact CG2-CG2 4.03Å; V194-V201 HydrophobicContact CB-CG2 4.23Å; V194-V201 HydrophobicContact CG1-CG2 4.01Å; V194-V204 HydrophobicContact CG1-CG2 4.21Å; V194-V204 HydrophobicContact CG2-CB 4.04Å; V194-V204 HydrophobicContact CG2-CG1 3.96Å; V194-V204 HydrophobicContact CG2-CG2 3.87Å; V194-L219 HydrophobicContact CB-CD2 4.47Å; V194-L219 HydrophobicContact CG2-CD1 3.91Å; V194-L219 HydrophobicContact CG2-CD2 3.93Å; V194-L219 HydrophobicContact CG2-CG 3.99Å; V194-G220 PolarHBondContact N-O 2.9Å; V194-L222 PolarHBondContact O-N 2.94Å |
| 195 | C | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 99.8 | -179.6 | -47.9 | 0 | 0 | 0 | 0 | 110 | F143 V144 N145 F160 L222 L224 | F143-C195 PolarHBondContact O-N 3.31Å; V144-C195 HydrophobicContact CB-CB 4.28Å; V144-C195 HydrophobicContact CG1-CB 4.06Å; V144-C195 HydrophobicContact CG2-CB 4.1Å; N145-C195 PolarHBondContact N-O 3.01Å; F160-C195 VanDerWaalsContact CE2-SG 3.53Å; C195-L222 HydrophobicContact CB-CB 4.1Å; C195-L222 HydrophobicContact CB-CD2 3.99Å; C195-L224 HydrophobicContact CB-CD1 3.76Å; C195-L224 HydrophobicContact CB-CG 4.34Å |
| 196 | G | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | -149.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L222 L224 G225 N228 | G196-L222 PolarHBondContact N-O 3.07Å; G196-L222 VanDerWaalsContact N-O 3.13Å; G196-L224 PolarHBondContact O-N 2.96Å; G196-G225 PolarHBondContact O-N 3.09Å; G196-N228 PolarHBondContact O-OD1 3.48Å |
| 197 | G | 89.5 | Confident | 90.6 | Very high | 8 Ų | 8 | 23.7 Ų | 23.7 | 8% | 0.082 | 14% | 0.137 | C | C | . | . | trans | -117.4 | -176.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | G199 S200 V201 G227 N228 | G197-G199 PolarHBondContact O-N 2.74Å; G197-S200 WeakPolarHBondContact O-CA 3.47Å; G197-S200 VanDerWaalsContact O-CB 3.29Å; G197-S200 WeakPolarHBondContact O-CB 3.48Å; G197-S200 PolarHBondContact O-N 3.39Å; G197-V201 PolarHBondContact O-N 2.85Å; G197-G227 CarbonylContact C-O 3.48Å; G197-G227 WeakPolarHBondContact CA-O 3.31Å; G197-N228 WeakPolarHBondContact CA-OD1 3.3Å | ||
| 198 | D | 89.6 | Confident | 91.4 | Very high | 14 Ų | 14 | 23.7 Ų | 23.7 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53 | -48.4 | -170.2 | -57.8 | -49.4 | 0 | 0 | 0 | 113.5 | S200 V201 G202 G227 N228 D229 L230 N580 | D198-S200 PolarHBondContact O-N 3.35Å; D198-V201 CarbonylContact O-C 3.52Å; D198-V201 WeakPolarHBondContact O-CA 3.41Å; D198-V201 VanDerWaalsContact O-CB 3.27Å; D198-V201 WeakPolarHBondContact O-CB 3.37Å; D198-V201 PolarHBondContact O-N 2.88Å; D198-G202 PolarHBondContact O-N 3.15Å; D198-G227 PolarHBondContact N-O 3.4Å; D198-G227 WeakPolarHBondContact OD2-CA 3.41Å; D198-N228 WeakPolarHBondContact OD2-CA 3.4Å; D198-N228 PolarHBondContact OD2-N 2.96Å; D198-D229 VanDerWaalsContact CG-N 3.33Å; D198-D229 PolarHBondContact OD1-N 3.07Å; D198-D229 PolarHBondContact OD2-N 2.76Å; D198-L230 HydrophobicContact CB-CD1 4.32Å; D198-L230 WeakPolarHBondContact OD1-CB 3.36Å; D198-L230 PolarHBondContact OD1-N 2.99Å; D198-N580 WeakPolarHBondContact CB-ND2 3.46Å |
| 199 | G | 89.8 | Confident | 92.1 | Very high | 46 Ų | 46 | 19 Ų | 19 | 47% | 0.474 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.7 | -24.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G197 V201 W203 | G197-G199 PolarHBondContact O-N 2.74Å; G199-V201 VanDerWaalsContact C-N 3.34Å; G199-W203 PolarHBondContact O-N 2.86Å |
| 200 | S | 92.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73.8 | -27.1 | 170.2 | -56.4 | 0 | 0 | 0 | 0 | 112.2 | N145 G197 D198 V204 | N145-S200 PolarHBondContact ND2-OG 3.1Å; G197-S200 WeakPolarHBondContact O-CA 3.47Å; G197-S200 VanDerWaalsContact O-CB 3.29Å; G197-S200 WeakPolarHBondContact O-CB 3.48Å; G197-S200 PolarHBondContact O-N 3.39Å; D198-S200 PolarHBondContact O-N 3.35Å; S200-V204 WeakPolarHBondContact O-CG2 3.43Å; S200-V204 PolarHBondContact O-N 3.32Å |
| 201 | V | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -73.6 | -46.1 | 170.6 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | V194 G197 D198 G199 W203 V204 L205 L219 V221 L230 M752 | V194-V201 HydrophobicContact CB-CG2 4.23Å; V194-V201 HydrophobicContact CG1-CG2 4.01Å; G197-V201 PolarHBondContact O-N 2.85Å; D198-V201 CarbonylContact O-C 3.52Å; D198-V201 WeakPolarHBondContact O-CA 3.41Å; D198-V201 VanDerWaalsContact O-CB 3.27Å; D198-V201 WeakPolarHBondContact O-CB 3.37Å; D198-V201 PolarHBondContact O-N 2.88Å; G199-V201 VanDerWaalsContact C-N 3.34Å; V201-W203 VanDerWaalsContact C-N 3.31Å; V201-W203 PolarHBondContact O-N 2.76Å; V201-V204 PolarHBondContact O-N 2.84Å; V201-V204 VanDerWaalsContact O-N 3.12Å; V201-L205 HydrophobicContact CG1-CD1 3.9Å; V201-L205 HydrophobicContact CG1-CG 4.22Å; V201-L205 WeakPolarHBondContact O-CG 3.49Å; V201-L205 PolarHBondContact O-N 3.34Å; V201-L219 HydrophobicContact CG1-CD2 3.68Å; V201-V221 HydrophobicContact CG1-CG2 4.25Å; V201-V221 HydrophobicContact CG2-CB 4.38Å; V201-V221 HydrophobicContact CG2-CG1 3.73Å; V201-V221 HydrophobicContact CG2-CG2 3.73Å; V201-L230 HydrophobicContact CB-CD1 4.07Å; V201-L230 HydrophobicContact CG1-CD1 4.02Å; V201-L230 HydrophobicContact CG2-CD1 4.45Å; V201-M752 HydrophobicContact CG1-CE 4.27Å |
| 202 | G | 92.7 | Very high | 92.3 | Very high | 12 Ų | 12 | 27 Ų | 27 | 12% | 0.124 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.9 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D198 L205 S206 | D198-G202 PolarHBondContact O-N 3.15Å; G202-L205 PolarHBondContact O-N 2.82Å; G202-S206 WeakPolarHBondContact O-CB 3.45Å; G202-S206 PolarHBondContact O-N 2.82Å; G202-S206 PolarHBondContact O-OG 2.78Å |
| 203 | W | 92.5 | Very high | 91.9 | Very high | 117 Ų | 117 | 27.2 Ų | 27.2 | 44% | 0.443 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 174.5 | -174.6 | 18.8 | 0 | 0 | 0 | 112.7 | L172 P177 G199 V201 S206 E207 | L172-W203 HydrophobicContact CB-CE3 4.42Å; L172-W203 HydrophobicContact CB-CZ3 3.98Å; L172-W203 WeakPolarHBondContact O-CH2 3.21Å; L172-W203 VanDerWaalsContact O-CZ3 3.3Å; L172-W203 WeakPolarHBondContact O-CZ3 3.44Å; P177-W203 HydrophobicContact CG-CD2 4.33Å; P177-W203 HydrophobicContact CG-CG 4.38Å; G199-W203 PolarHBondContact O-N 2.86Å; V201-W203 VanDerWaalsContact C-N 3.31Å; V201-W203 PolarHBondContact O-N 2.76Å; W203-S206 PolarHBondContact O-N 2.95Å; W203-E207 PolarHBondContact O-N 2.9Å |
| 204 | V | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 177.6 | 175.9 | 0 | 0 | 0 | 0 | 111 | F143 L172 P177 I192 V194 S200 V201 S206 E207 I208 L219 | F143-V204 HydrophobicContact CD2-CG1 4.05Å; F143-V204 HydrophobicContact CD2-CG2 4.12Å; F143-V204 HydrophobicContact CE2-CG1 4.12Å; F143-V204 HydrophobicContact CG-CG2 4.39Å; L172-V204 HydrophobicContact CD1-CG2 4.3Å; L172-V204 HydrophobicContact CD2-CG2 3.88Å; P177-V204 HydrophobicContact CB-CG2 4.12Å; I192-V204 HydrophobicContact CG2-CG1 4.39Å; V194-V204 HydrophobicContact CG1-CG2 4.21Å; V194-V204 HydrophobicContact CG2-CB 4.04Å; V194-V204 HydrophobicContact CG2-CG1 3.96Å; V194-V204 HydrophobicContact CG2-CG2 3.87Å; S200-V204 WeakPolarHBondContact O-CG2 3.43Å; S200-V204 PolarHBondContact O-N 3.32Å; V201-V204 PolarHBondContact O-N 2.84Å; V201-V204 VanDerWaalsContact O-N 3.12Å; V204-S206 VanDerWaalsContact C-N 3.33Å; V204-S206 PolarHBondContact O-N 2.83Å; V204-E207 PolarHBondContact O-N 2.87Å; V204-I208 HydrophobicContact CG1-CD1 3.87Å; V204-I208 WeakPolarHBondContact O-CG1 3.38Å; V204-I208 PolarHBondContact O-N 2.81Å; V204-L219 HydrophobicContact CB-CD1 4.45Å; V204-L219 HydrophobicContact CG1-CD1 3.83Å |
| 205 | L | 94.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 175.1 | -72.2 | 173 | 0 | 0 | 0 | 112.2 | V201 G202 E207 I208 D209 L219 A750 | V201-L205 HydrophobicContact CG1-CD1 3.9Å; V201-L205 HydrophobicContact CG1-CG 4.22Å; V201-L205 WeakPolarHBondContact O-CG 3.49Å; V201-L205 PolarHBondContact O-N 3.34Å; G202-L205 PolarHBondContact O-N 2.82Å; L205-E207 VanDerWaalsContact C-N 3.3Å; L205-E207 PolarHBondContact O-N 2.84Å; L205-I208 HydrophobicContact CD2-CD1 4.47Å; L205-I208 WeakPolarHBondContact O-CB 3.37Å; L205-I208 PolarHBondContact O-N 3.03Å; L205-D209 PolarHBondContact O-N 2.9Å; L205-L219 HydrophobicContact CD2-CD1 3.98Å; L205-L219 HydrophobicContact CG-CD1 4.28Å; L205-A750 HydrophobicContact CD2-CB 3.65Å |
| 206 | S | 92.4 | Very high | 90.4 | Very high | 43 Ų | 43 | 40 Ų | 40 | 30% | 0.301 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.2 | -28.6 | 177.1 | -58 | 0 | 0 | 0 | 0 | 113.1 | G202 W203 V204 K210 | G202-S206 WeakPolarHBondContact O-CB 3.45Å; G202-S206 PolarHBondContact O-N 2.82Å; G202-S206 PolarHBondContact O-OG 2.78Å; W203-S206 PolarHBondContact O-N 2.95Å; V204-S206 VanDerWaalsContact C-N 3.33Å; V204-S206 PolarHBondContact O-N 2.83Å; S206-K210 WeakPolarHBondContact O-CG 3.45Å; S206-K210 PolarHBondContact O-N 2.86Å |
| 207 | E | 93.3 | Very high | 90.4 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 8% | 0.075 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -81.2 | -33.2 | 173.8 | -158.7 | 66.7 | -151.3 | 0 | 0 | 112 | P177 H178 L181 W203 V204 L205 D209 K210 L211 | P177-E207 HydrophobicContact CB-CB 4.16Å; P177-E207 HydrophobicContact CB-CG 4.33Å; P177-E207 HydrophobicContact CG-CB 3.77Å; P177-E207 HydrophobicContact CG-CG 3.97Å; H178-E207 HydrophobicContact CB-CG 4.16Å; H178-E207 IonicContact CE1-OE1 2.81Å; H178-E207 IonicContact CG-OE1 3.4Å; H178-E207 IonicContact ND1-OE1 2.65Å; H178-E207 PolarHBondContact ND1-OE1 2.82Å; L181-E207 HydrophobicContact CD1-CB 3.7Å; L181-E207 HydrophobicContact CD1-CG 3.75Å; W203-E207 PolarHBondContact O-N 2.9Å; V204-E207 PolarHBondContact O-N 2.87Å; L205-E207 VanDerWaalsContact C-N 3.3Å; L205-E207 PolarHBondContact O-N 2.84Å; E207-D209 VanDerWaalsContact C-N 3.28Å; E207-D209 PolarHBondContact O-N 2.81Å; E207-K210 PolarHBondContact O-N 3.02Å; E207-K210 IonicContact OE1-NZ 3.64Å; E207-K210 WeakPolarHBondContact OE2-CE 3.23Å; E207-K210 IonicContact OE2-NZ 3.16Å; E207-K210 PolarHBondContact OE2-NZ 2.75Å; E207-L211 PolarHBondContact O-N 3.27Å; E207-L211 VanDerWaalsContact O-N 3.12Å |
| 208 | I | 93.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -37.7 | 169.5 | -73.2 | 162.8 | 0 | 0 | 0 | 111.2 | L181 I192 V204 L205 L211 S212 L213 H214 L219 | L181-I208 HydrophobicContact CD1-CG1 3.88Å; L181-I208 HydrophobicContact CD2-CD1 4.43Å; L181-I208 HydrophobicContact CD2-CG1 3.83Å; I192-I208 HydrophobicContact CD1-CD1 3.7Å; I192-I208 HydrophobicContact CD1-CG1 4.36Å; V204-I208 HydrophobicContact CG1-CD1 3.87Å; V204-I208 WeakPolarHBondContact O-CG1 3.38Å; V204-I208 PolarHBondContact O-N 2.81Å; L205-I208 HydrophobicContact CD2-CD1 4.47Å; L205-I208 WeakPolarHBondContact O-CB 3.37Å; L205-I208 PolarHBondContact O-N 3.03Å; I208-L211 CarbonylContact O-C 3.52Å; I208-S212 CarbonylContact O-C 3.55Å; I208-S212 WeakPolarHBondContact O-CA 3.43Å; I208-S212 PolarHBondContact O-N 2.87Å; I208-L213 HydrophobicContact CG2-CB 4.32Å; I208-L213 PolarHBondContact O-N 2.77Å; I208-H214 HydrophobicContact CG2-CB 4.38Å; I208-L219 HydrophobicContact CD1-CD1 3.93Å |
| 209 | D | 91 | Very high | 90.8 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 16% | 0.16 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -50 | 174.5 | -71.8 | -35.1 | 0 | 0 | 0 | 111.9 | L205 E207 L211 S212 R263 N748 | L205-D209 PolarHBondContact O-N 2.9Å; E207-D209 VanDerWaalsContact C-N 3.28Å; E207-D209 PolarHBondContact O-N 2.81Å; D209-L211 VanDerWaalsContact C-N 3.28Å; D209-L211 PolarHBondContact O-N 3.31Å; D209-S212 WeakPolarHBondContact O-CA 3.33Å; D209-S212 PolarHBondContact O-N 2.8Å; D209-R263 IonicContact OD1-CZ 3.69Å; D209-R263 IonicContact OD1-NH1 2.59Å; D209-R263 PolarHBondContact OD1-NH1 2.99Å; D209-R263 IonicContact OD2-CZ 3.76Å; D209-R263 VanDerWaalsContact OD2-CZ 3.26Å; D209-R263 IonicContact OD2-NH1 2.74Å; D209-R263 PolarHBondContact OD2-NH1 3.3Å; D209-R263 IonicContact OD2-NH2 2.63Å; D209-R263 PolarHBondContact OD2-NH2 2.85Å; D209-N748 PolarHBondContact OD1-ND2 2.91Å |
| 210 | K | 91.2 | Very high | 91 | Very high | 147 Ų | 147 | 39.2 Ų | 39.2 | 64% | 0.639 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -58 | -40.9 | 179 | -65.2 | 172.2 | -162.3 | 168.9 | 0 | 112.3 | S206 E207 S212 | S206-K210 WeakPolarHBondContact O-CG 3.45Å; S206-K210 PolarHBondContact O-N 2.86Å; E207-K210 PolarHBondContact O-N 3.02Å; E207-K210 IonicContact OE1-NZ 3.64Å; E207-K210 WeakPolarHBondContact OE2-CE 3.23Å; E207-K210 IonicContact OE2-NZ 3.16Å; E207-K210 PolarHBondContact OE2-NZ 2.75Å; K210-S212 VanDerWaalsContact C-N 3.3Å |
| 211 | L | 89.4 | Confident | 91.1 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 17% | 0.173 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -1 | 178 | -63 | 173.4 | 0 | 0 | 0 | 112.9 | L181 E207 I208 D209 L213 | L181-L211 HydrophobicContact CB-CD1 3.49Å; L181-L211 VanDerWaalsContact CB-CD1 3.49Å; L181-L211 HydrophobicContact CD1-CD1 4.14Å; L181-L211 HydrophobicContact CG-CD1 4.47Å; E207-L211 PolarHBondContact O-N 3.27Å; E207-L211 VanDerWaalsContact O-N 3.12Å; I208-L211 CarbonylContact O-C 3.52Å; D209-L211 VanDerWaalsContact C-N 3.28Å; D209-L211 PolarHBondContact O-N 3.31Å; L211-L213 HydrophobicContact CB-CD1 3.93Å; L211-L213 HydrophobicContact CB-CD2 4.26Å; L211-L213 HydrophobicContact CB-CG 3.72Å; L211-L213 HydrophobicContact CD1-CD1 4.28Å; L211-L213 VanDerWaalsContact O-CD2 3.3Å; L211-L213 WeakPolarHBondContact O-CD2 3.4Å; L211-L213 PolarHBondContact O-N 2.86Å; L211-L213 VanDerWaalsContact O-N 3.16Å |
| 212 | S | 88.8 | Confident | 91 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 57% | 0.573 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 19.9 | -179.4 | -67.9 | 0 | 0 | 0 | 0 | 116.4 | I208 D209 K210 H214 | I208-S212 CarbonylContact O-C 3.55Å; I208-S212 WeakPolarHBondContact O-CA 3.43Å; I208-S212 PolarHBondContact O-N 2.87Å; D209-S212 WeakPolarHBondContact O-CA 3.33Å; D209-S212 PolarHBondContact O-N 2.8Å; K210-S212 VanDerWaalsContact C-N 3.3Å; S212-H214 PolarHBondContact O-N 2.82Å; S212-H214 PolarHBondContact O-ND1 3.44Å |
| 213 | L | 87.3 | Confident | 91 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | trans | -74.4 | 0.2 | -170.8 | -50.3 | 177.8 | 0 | 0 | 0 | 114.9 | L181 Q185 F190 I208 L211 K215 Q216 C217 | L181-L213 HydrophobicContact CB-CD1 4.05Å; L181-L213 HydrophobicContact CD2-CD1 4.28Å; Q185-L213 HydrophobicContact CB-CD2 4.31Å; Q185-L213 HydrophobicContact CG-CD2 3.95Å; F190-L213 HydrophobicContact CZ-CD1 4.25Å; I208-L213 HydrophobicContact CG2-CB 4.32Å; I208-L213 PolarHBondContact O-N 2.77Å; L211-L213 HydrophobicContact CB-CD1 3.93Å; L211-L213 HydrophobicContact CB-CD2 4.26Å; L211-L213 HydrophobicContact CB-CG 3.72Å; L211-L213 HydrophobicContact CD1-CD1 4.28Å; L211-L213 VanDerWaalsContact O-CD2 3.3Å; L211-L213 WeakPolarHBondContact O-CD2 3.4Å; L211-L213 PolarHBondContact O-N 2.86Å; L211-L213 VanDerWaalsContact O-N 3.16Å; L213-K215 PolarHBondContact O-N 2.93Å; L213-Q216 PolarHBondContact O-N 2.81Å; L213-C217 PolarHBondContact O-N 3.2Å; L213-C217 PolarHBondContact O-SG 2.86Å | ||
| 214 | H | 83.1 | Confident | 90.7 | Very high | 61 Ų | 61 | 32.9 Ų | 32.9 | 28% | 0.282 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -15.1 | -173.2 | 70.6 | -69.6 | 0 | 0 | 0 | 117.9 | I208 S212 | I208-H214 HydrophobicContact CG2-CB 4.38Å; S212-H214 PolarHBondContact O-N 2.82Å; S212-H214 PolarHBondContact O-ND1 3.44Å |
| 215 | K | 83.3 | Confident | 90.1 | Very high | 152 Ų | 152 | 33.3 Ų | 33.3 | 66% | 0.661 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97 | -22.8 | 175.7 | -63.1 | -178.2 | -177.8 | 176 | 0 | 114.1 | L213 Q751 | L213-K215 PolarHBondContact O-N 2.93Å; K215-Q751 PolarHBondContact O-NE2 2.99Å |
| 216 | Q | 85.6 | Confident | 89.3 | Confident | 55 Ų | 55 | 36.8 Ų | 36.8 | 26% | 0.257 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -28.2 | -173.8 | -58.6 | 174.2 | -45.1 | 0 | 0 | 112.2 | D188 N189 F190 L213 | D188-Q216 WeakPolarHBondContact O-CB 3.16Å; D188-Q216 WeakPolarHBondContact O-CG 3.26Å; N189-Q216 CarbonylContact C-O 3.31Å; N189-Q216 VanDerWaalsContact CA-O 3.31Å; N189-Q216 WeakPolarHBondContact CA-O 3.26Å; F190-Q216 HydrophobicContact CD1-CB 4.41Å; F190-Q216 HydrophobicContact CE1-CB 4.14Å; F190-Q216 PolarHBondContact N-O 3.19Å; L213-Q216 PolarHBondContact O-N 2.81Å |
| 217 | C | 90.1 | Very high | 88.7 | Confident | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.2 | -172.1 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | F190 I192 L213 | F190-C217 HydrophobicContact CD2-CB 4.37Å; F190-C217 HydrophobicContact CE1-CB 4.08Å; F190-C217 HydrophobicContact CE2-CB 3.86Å; F190-C217 HydrophobicContact CZ-CB 3.7Å; F190-C217 WeakPolarHBondContact O-CA 3.41Å; I192-C217 HydrophobicContact CD1-CB 3.62Å; I192-C217 HydrophobicContact CG1-CB 4.15Å; L213-C217 PolarHBondContact O-N 3.2Å; L213-C217 PolarHBondContact O-SG 2.86Å |
| 218 | Q | 93.1 | Very high | 88.5 | Confident | 45 Ų | 45 | 35.2 Ų | 35.2 | 21% | 0.21 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 120.1 | 172.7 | -68.1 | 167.3 | -0.4 | 0 | 0 | 110.3 | F190 R191 I192 T258 Q751 L753 | F190-Q218 PolarHBondContact O-N 2.71Å; R191-Q218 CarbonylContact C-O 3.51Å; R191-Q218 WeakPolarHBondContact CA-O 3.43Å; R191-Q218 HydrophobicContact CG-CB 4.14Å; I192-Q218 PolarHBondContact N-O 3.05Å; Q218-T258 HydrophobicContact CG-CG2 4.34Å; Q218-Q751 HydrophobicContact CG-CB 4.18Å; Q218-L753 HydrophobicContact CB-CD1 4.37Å; Q218-L753 HydrophobicContact CB-CD2 3.92Å; Q218-L753 HydrophobicContact CB-CG 4.03Å |
| 219 | L | 95.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.3 | -170.1 | -165.5 | 153.7 | 0 | 0 | 0 | 113.1 | I192 V194 V201 V204 L205 I208 V221 Q751 M752 L753 | I192-L219 HydrophobicContact CB-CB 4.49Å; I192-L219 HydrophobicContact CB-CG 4.28Å; I192-L219 HydrophobicContact CG2-CD1 4.36Å; I192-L219 HydrophobicContact CG2-CG 4.29Å; I192-L219 WeakPolarHBondContact O-CA 3.4Å; V194-L219 HydrophobicContact CB-CD2 4.47Å; V194-L219 HydrophobicContact CG2-CD1 3.91Å; V194-L219 HydrophobicContact CG2-CD2 3.93Å; V194-L219 HydrophobicContact CG2-CG 3.99Å; V201-L219 HydrophobicContact CG1-CD2 3.68Å; V204-L219 HydrophobicContact CB-CD1 4.45Å; V204-L219 HydrophobicContact CG1-CD1 3.83Å; L205-L219 HydrophobicContact CD2-CD1 3.98Å; L205-L219 HydrophobicContact CG-CD1 4.28Å; I208-L219 HydrophobicContact CD1-CD1 3.93Å; L219-V221 HydrophobicContact CD2-CG2 3.94Å; L219-Q751 PolarHBondContact N-O 3.05Å; L219-M752 HydrophobicContact CB-SD 4.02Å; L219-M752 HydrophobicContact CD2-CE 3.77Å; L219-M752 HydrophobicContact CD2-SD 4.15Å; L219-M752 CarbonylContact O-C 3.55Å; L219-M752 VanDerWaalsContact O-CA 3.31Å; L219-M752 WeakPolarHBondContact O-CA 3.38Å; L219-L753 PolarHBondContact O-N 2.69Å |
| 220 | G | 94.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 157.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I192 V194 | I192-G220 PolarHBondContact O-N 3.09Å; V194-G220 PolarHBondContact N-O 2.9Å |
| 221 | V | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.2 | -175.2 | -173.2 | 0 | 0 | 0 | 0 | 110.6 | V201 L219 A231 L234 W236 M752 | V201-V221 HydrophobicContact CG1-CG2 4.25Å; V201-V221 HydrophobicContact CG2-CB 4.38Å; V201-V221 HydrophobicContact CG2-CG1 3.73Å; V201-V221 HydrophobicContact CG2-CG2 3.73Å; L219-V221 HydrophobicContact CD2-CG2 3.94Å; V221-A231 HydrophobicContact CB-CB 4.39Å; V221-A231 HydrophobicContact CG1-CB 3.99Å; V221-L234 HydrophobicContact CG2-CD1 3.99Å; V221-W236 VanDerWaalsContact O-CG 3.26Å; V221-M752 HydrophobicContact CG2-CE 4.07Å |
| 222 | L | 92.8 | Very high | 88.4 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.7 | 170.8 | -175.1 | 75.2 | 0 | 0 | 0 | 109.9 | F156 F160 L193 V194 C195 G196 L224 C240 L246 I249 | F156-L222 HydrophobicContact CD1-CD2 3.6Å; F156-L222 HydrophobicContact CE1-CD2 3.71Å; F160-L222 HydrophobicContact CE2-CD2 4.32Å; F160-L222 HydrophobicContact CZ-CD2 4.25Å; L193-L222 HydrophobicContact CD1-CB 4.2Å; V194-L222 PolarHBondContact O-N 2.94Å; C195-L222 HydrophobicContact CB-CB 4.1Å; C195-L222 HydrophobicContact CB-CD2 3.99Å; G196-L222 PolarHBondContact N-O 3.07Å; G196-L222 VanDerWaalsContact N-O 3.13Å; L222-L224 HydrophobicContact CD2-CD1 4.45Å; L222-L224 HydrophobicContact CD2-CD2 4.2Å; L222-L224 HydrophobicContact CD2-CG 4.29Å; L222-L224 HydrophobicContact CG-CD2 4.33Å; L222-L224 HydrophobicContact CG-CG 4.4Å; L222-L224 PolarHBondContact O-N 3.38Å; L222-C240 HydrophobicContact CD1-CB 3.94Å; L222-C240 HydrophobicContact CG-CB 4.34Å; L222-L246 HydrophobicContact CD2-CD2 4.18Å; L222-I249 HydrophobicContact CD1-CD1 4.06Å; L222-I249 HydrophobicContact CD1-CG2 4.06Å |
| 223 | P | 91.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.019 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 81.8 | -170.1 | 29.4 | -36.5 | 0 | 0 | 0 | 113.5 | N228 A231 G237 S239 C240 | P223-N228 HydrophobicContact CB-CB 3.85Å; P223-A231 HydrophobicContact CB-CB 3.71Å; P223-A231 HydrophobicContact CG-CB 4.15Å; P223-G237 WeakPolarHBondContact CB-O 3.45Å; P223-G237 WeakPolarHBondContact CG-O 3.37Å; P223-S239 CarbonylContact O-C 3.57Å; P223-S239 WeakPolarHBondContact O-CA 3.24Å; P223-C240 HydrophobicContact CG-CB 4.36Å; P223-C240 PolarHBondContact O-N 3.21Å |
| 224 | L | 87.1 | Confident | 88.6 | Confident | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | trans | -97 | -10.9 | 171.8 | -55.9 | -172.5 | 0 | 0 | 0 | 112.7 | G149 F156 C195 G196 L222 C240 | G149-L224 WeakPolarHBondContact CA-O 3.39Å; G149-L224 PolarHBondContact N-O 3.28Å; F156-L224 HydrophobicContact CB-CD1 4.23Å; F156-L224 HydrophobicContact CD1-CD1 4.41Å; F156-L224 HydrophobicContact CD1-CD2 4.35Å; F156-L224 HydrophobicContact CD2-CD1 4.35Å; F156-L224 HydrophobicContact CD2-CD2 4.26Å; F156-L224 HydrophobicContact CE1-CD2 4.2Å; F156-L224 HydrophobicContact CE2-CD2 4.07Å; F156-L224 HydrophobicContact CG-CD1 4.07Å; F156-L224 HydrophobicContact CG-CD2 4.41Å; F156-L224 HydrophobicContact CZ-CD2 4.04Å; C195-L224 HydrophobicContact CB-CD1 3.76Å; C195-L224 HydrophobicContact CB-CG 4.34Å; G196-L224 PolarHBondContact O-N 2.96Å; L222-L224 HydrophobicContact CD2-CD1 4.45Å; L222-L224 HydrophobicContact CD2-CD2 4.2Å; L222-L224 HydrophobicContact CD2-CG 4.29Å; L222-L224 HydrophobicContact CG-CD2 4.33Å; L222-L224 HydrophobicContact CG-CG 4.4Å; L222-L224 PolarHBondContact O-N 3.38Å; L224-C240 HydrophobicContact CD2-CB 4.35Å; L224-C240 WeakPolarHBondContact CD2-O 3.33Å | ||
| 225 | G | 81.9 | Confident | 88.9 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 8% | 0.082 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -83.2 | -172.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G196 N228 R608 | G196-G225 PolarHBondContact O-N 3.09Å; G225-N228 VanDerWaalsContact CA-OD1 3.24Å; G225-N228 WeakPolarHBondContact CA-OD1 3.32Å; G225-N228 PolarHBondContact N-OD1 2.75Å; G225-N228 PolarHBondContact O-ND2 3.45Å; G225-R608 VanDerWaalsContact O-CZ 3.25Å; G225-R608 PolarHBondContact O-NE 3.21Å; G225-R608 PolarHBondContact O-NH1 2.91Å |
| 226 | T | 77.4 | Confident | 89.2 | Confident | 76 Ų | 76 | 17.6 Ų | 17.6 | 47% | 0.466 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -86.4 | -58.2 | 167.9 | 39 | 0 | 0 | 0 | 0 | 111.1 | R608 N611 | T226-R608 HydrophobicContact CG2-CB 4.14Å; T226-R608 HydrophobicContact CG2-CG 3.95Å; T226-N611 HydrophobicContact CG2-CB 3.93Å |
| 227 | G | 81.2 | Confident | 89.2 | Confident | 26 Ų | 26 | 15.1 Ų | 15.1 | 27% | 0.268 | 9% | 0.089 | S | C | . | . | trans | -77.4 | 120.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G197 D198 | G197-G227 CarbonylContact C-O 3.48Å; G197-G227 WeakPolarHBondContact CA-O 3.31Å; D198-G227 PolarHBondContact N-O 3.4Å; D198-G227 WeakPolarHBondContact OD2-CA 3.41Å | ||
| 228 | N | 88.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -140.4 | 33.2 | -179.8 | -63.9 | -38.6 | 0 | 0 | 0 | 109 | G196 G197 D198 P223 G225 A231 R232 P238 R608 | G196-N228 PolarHBondContact O-OD1 3.48Å; G197-N228 WeakPolarHBondContact CA-OD1 3.3Å; D198-N228 WeakPolarHBondContact OD2-CA 3.4Å; D198-N228 PolarHBondContact OD2-N 2.96Å; P223-N228 HydrophobicContact CB-CB 3.85Å; G225-N228 VanDerWaalsContact CA-OD1 3.24Å; G225-N228 WeakPolarHBondContact CA-OD1 3.32Å; G225-N228 PolarHBondContact N-OD1 2.75Å; G225-N228 PolarHBondContact O-ND2 3.45Å; N228-A231 HydrophobicContact CB-CB 4.23Å; N228-A231 PolarHBondContact O-N 2.9Å; N228-A231 VanDerWaalsContact O-N 3.12Å; N228-R232 PolarHBondContact O-N 3.38Å; N228-R232 PolarHBondContact O-NH1 2.7Å; N228-P238 PolarHBondContact ND2-O 2.92Å; N228-R608 PolarHBondContact ND2-NH1 3.37Å; N228-R608 PolarHBondContact ND2-NH2 3.42Å | ||
| 229 | D | 89.9 | Confident | 88.4 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.3 | -32.5 | -169.8 | -72.3 | -95.5 | 0 | 0 | 0 | 111.2 | D198 R232 V233 I657 S659 G662 G663 | D198-D229 VanDerWaalsContact CG-N 3.33Å; D198-D229 PolarHBondContact OD1-N 3.07Å; D198-D229 PolarHBondContact OD2-N 2.76Å; D229-R232 VanDerWaalsContact CA-NH1 3.35Å; D229-R232 VanDerWaalsContact N-NH1 3.16Å; D229-R232 PolarHBondContact O-N 3.04Å; D229-R232 IonicContact OD1-CZ 3.81Å; D229-R232 IonicContact OD1-NH1 3.48Å; D229-R232 PolarHBondContact OD1-NH1 2.85Å; D229-R232 IonicContact OD2-CZ 2.8Å; D229-R232 IonicContact OD2-NH1 2.87Å; D229-R232 PolarHBondContact OD2-NH1 2.78Å; D229-V233 WeakPolarHBondContact O-CG2 3.38Å; D229-V233 PolarHBondContact O-N 3.17Å; D229-V233 VanDerWaalsContact O-N 3.12Å; D229-I657 HydrophobicContact CB-CD1 4.08Å; D229-S659 PolarHBondContact OD1-OG 3.48Å; D229-G662 WeakPolarHBondContact OD1-CA 3.45Å; D229-G662 PolarHBondContact OD1-N 2.84Å; D229-G662 WeakPolarHBondContact OD2-CA 3.22Å; D229-G662 PolarHBondContact OD2-N 2.88Å; D229-G663 PolarHBondContact OD1-N 2.89Å |
| 230 | L | 91.1 | Very high | 87.8 | Confident | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.2 | -48.4 | 164.2 | -75.5 | 160.8 | 0 | 0 | 0 | 111.3 | D198 V201 R232 V233 L234 L261 N580 | D198-L230 HydrophobicContact CB-CD1 4.32Å; D198-L230 WeakPolarHBondContact OD1-CB 3.36Å; D198-L230 PolarHBondContact OD1-N 2.99Å; V201-L230 HydrophobicContact CB-CD1 4.07Å; V201-L230 HydrophobicContact CG1-CD1 4.02Å; V201-L230 HydrophobicContact CG2-CD1 4.45Å; L230-R232 VanDerWaalsContact C-N 3.26Å; L230-R232 PolarHBondContact O-N 2.58Å; L230-V233 PolarHBondContact O-N 2.89Å; L230-L234 HydrophobicContact CB-CD1 4.24Å; L230-L234 VanDerWaalsContact O-CB 3.28Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CG 3.47Å; L230-L234 PolarHBondContact O-N 2.89Å; L230-L261 HydrophobicContact CD2-CD2 3.82Å; L230-N580 WeakPolarHBondContact CD1-OD1 3.49Å; L230-N580 WeakPolarHBondContact CD2-OD1 3.43Å; L230-N580 WeakPolarHBondContact CG-OD1 3.3Å |
| 231 | A | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.5 | -26.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | V221 P223 N228 W236 G237 | V221-A231 HydrophobicContact CB-CB 4.39Å; V221-A231 HydrophobicContact CG1-CB 3.99Å; P223-A231 HydrophobicContact CB-CB 3.71Å; P223-A231 HydrophobicContact CG-CB 4.15Å; N228-A231 HydrophobicContact CB-CB 4.23Å; N228-A231 PolarHBondContact O-N 2.9Å; N228-A231 VanDerWaalsContact O-N 3.12Å; A231-W236 HydrophobicContact CB-CB 4.26Å; A231-W236 WeakPolarHBondContact O-CA 3.33Å; A231-W236 PolarHBondContact O-N 2.89Å; A231-G237 CarbonylContact C-O 3.58Å; A231-G237 WeakPolarHBondContact CB-O 3.3Å; A231-G237 PolarHBondContact O-N 3.29Å |
| 232 | R | 89.8 | Confident | 86 | Confident | 60 Ų | 60 | 25.6 Ų | 25.6 | 23% | 0.226 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.6 | -52.2 | 169.7 | -67.6 | 179.2 | -169.2 | 86.1 | -9.7 | 111 | N228 D229 L230 G235 G662 | N228-R232 PolarHBondContact O-N 3.38Å; N228-R232 PolarHBondContact O-NH1 2.7Å; D229-R232 VanDerWaalsContact CA-NH1 3.35Å; D229-R232 VanDerWaalsContact N-NH1 3.16Å; D229-R232 PolarHBondContact O-N 3.04Å; D229-R232 IonicContact OD1-CZ 3.81Å; D229-R232 IonicContact OD1-NH1 3.48Å; D229-R232 PolarHBondContact OD1-NH1 2.85Å; D229-R232 IonicContact OD2-CZ 2.8Å; D229-R232 IonicContact OD2-NH1 2.87Å; D229-R232 PolarHBondContact OD2-NH1 2.78Å; L230-R232 VanDerWaalsContact C-N 3.26Å; L230-R232 PolarHBondContact O-N 2.58Å; R232-G235 PolarHBondContact O-N 2.96Å; R232-G662 VanDerWaalsContact CZ-O 3.24Å; R232-G662 PolarHBondContact NE-O 3.16Å; R232-G662 VanDerWaalsContact NH2-CA 3.34Å; R232-G662 PolarHBondContact NH2-O 3Å |
| 233 | V | 89.1 | Confident | 85.3 | Confident | 38 Ų | 38 | 27.8 Ų | 27.8 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | -175.7 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | D229 L230 G235 I657 P658 S659 F681 | D229-V233 WeakPolarHBondContact O-CG2 3.38Å; D229-V233 PolarHBondContact O-N 3.17Å; D229-V233 VanDerWaalsContact O-N 3.12Å; L230-V233 PolarHBondContact O-N 2.89Å; V233-G235 PolarHBondContact O-N 2.82Å; V233-I657 HydrophobicContact CG2-CB 4.22Å; V233-I657 HydrophobicContact CG2-CD1 4.26Å; V233-P658 HydrophobicContact CG1-CG 4.5Å; V233-P658 HydrophobicContact CG2-CG 4.28Å; V233-S659 VanDerWaalsContact CG2-CB 3.42Å; V233-F681 HydrophobicContact CG1-CD1 3.58Å; V233-F681 HydrophobicContact CG1-CE1 3.46Å; V233-F681 VanDerWaalsContact CG1-CE1 3.46Å; V233-F681 HydrophobicContact CG1-CZ 4.34Å |
| 234 | L | 90.8 | Very high | 84.7 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 3 | 175.9 | -59.6 | 169.6 | 0 | 0 | 0 | 113.4 | V221 L230 W236 F681 M752 T754 R755 | V221-L234 HydrophobicContact CG2-CD1 3.99Å; L230-L234 HydrophobicContact CB-CD1 4.24Å; L230-L234 VanDerWaalsContact O-CB 3.28Å; L230-L234 WeakPolarHBondContact O-CB 3.46Å; L230-L234 WeakPolarHBondContact O-CG 3.47Å; L230-L234 PolarHBondContact O-N 2.89Å; L234-W236 VanDerWaalsContact C-N 3.33Å; L234-W236 PolarHBondContact O-N 2.92Å; L234-F681 HydrophobicContact CD2-CE2 4.14Å; L234-F681 HydrophobicContact CD2-CZ 4.11Å; L234-M752 HydrophobicContact CD1-CB 4.42Å; L234-M752 HydrophobicContact CD1-CE 3.61Å; L234-M752 HydrophobicContact CD2-CB 3.84Å; L234-T754 HydrophobicContact CB-CG2 4.32Å; L234-T754 HydrophobicContact CD2-CG2 3.48Å; L234-T754 VanDerWaalsContact CD2-CG2 3.48Å; L234-R755 PolarHBondContact O-N 2.93Å |
| 235 | G | 88.5 | Confident | 84.5 | Confident | 13 Ų | 13 | 36 Ų | 36 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | R232 V233 R757 | R232-G235 PolarHBondContact O-N 2.96Å; V233-G235 PolarHBondContact O-N 2.82Å; G235-R757 VanDerWaalsContact O-CZ 3.28Å; G235-R757 PolarHBondContact O-NE 3.38Å; G235-R757 PolarHBondContact O-NH2 3.25Å |
| 236 | W | 89.5 | Confident | 84.7 | Confident | 22 Ų | 22 | 35.6 Ų | 35.6 | 8% | 0.083 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -62.2 | -50.2 | 178.7 | -65.8 | 103.9 | 0 | 0 | 0 | 112.1 | V221 A231 L234 I249 K252 L253 A256 L753 R755 R757 | V221-W236 VanDerWaalsContact O-CG 3.26Å; A231-W236 HydrophobicContact CB-CB 4.26Å; A231-W236 WeakPolarHBondContact O-CA 3.33Å; A231-W236 PolarHBondContact O-N 2.89Å; L234-W236 VanDerWaalsContact C-N 3.33Å; L234-W236 PolarHBondContact O-N 2.92Å; W236-I249 HydrophobicContact CZ3-CG2 4.45Å; W236-K252 HydrophobicContact CZ3-CB 4.34Å; W236-L253 HydrophobicContact CH2-CB 4.21Å; W236-L253 HydrophobicContact CH2-CD1 3.61Å; W236-L253 HydrophobicContact CZ2-CD1 3.63Å; W236-A256 HydrophobicContact CH2-CB 4.25Å; W236-A256 HydrophobicContact CZ2-CB 4.03Å; W236-L753 HydrophobicContact CZ2-CB 4.42Å; W236-L753 PolarHBondContact NE1-O 2.63Å; W236-R755 HydrophobicContact CD2-CB 4.25Å; W236-R755 HydrophobicContact CE3-CB 4.42Å; W236-R755 HydrophobicContact CH2-CB 4.29Å; W236-R755 HydrophobicContact CZ2-CB 4.12Å; W236-R755 HydrophobicContact CZ3-CB 4.45Å; W236-R755 PolarHBondContact O-NH1 3.05Å; W236-R757 PolarHBondContact O-NH2 2.82Å |
| 237 | G | 86.5 | Confident | 85 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | trans | 133.7 | -177.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P223 A231 R757 | P223-G237 WeakPolarHBondContact CB-O 3.45Å; P223-G237 WeakPolarHBondContact CG-O 3.37Å; A231-G237 CarbonylContact C-O 3.58Å; A231-G237 WeakPolarHBondContact CB-O 3.3Å; A231-G237 PolarHBondContact O-N 3.29Å; G237-R757 VanDerWaalsContact CA-NH2 3.35Å | ||
| 238 | P | 83.1 | Confident | 85.2 | Confident | 71 Ų | 71 | 37.5 Ų | 37.5 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -82.3 | -27.2 | -177.1 | 32.6 | -35.2 | 0 | 0 | 0 | 113.9 | N228 R608 | N228-P238 PolarHBondContact ND2-O 2.92Å; P238-R608 PolarHBondContact O-NH1 3.5Å; P238-R608 PolarHBondContact O-NH2 3.37Å |
| 239 | S | 83.8 | Confident | 85.1 | Confident | 49 Ų | 49 | 38.4 Ų | 38.4 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | trans | -153.3 | 162.8 | 176.8 | 74.9 | 0 | 0 | 0 | 0 | 112.1 | P223 D241 | P223-S239 CarbonylContact O-C 3.57Å; P223-S239 WeakPolarHBondContact O-CA 3.24Å; S239-D241 WeakPolarHBondContact CB-OD2 3.07Å; S239-D241 PolarHBondContact OG-OD2 2.78Å | ||
| 240 | C | 82.3 | Confident | 85 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | trans | -140.9 | 104.6 | 165.9 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | L222 P223 L224 | L222-C240 HydrophobicContact CD1-CB 3.94Å; L222-C240 HydrophobicContact CG-CB 4.34Å; P223-C240 HydrophobicContact CG-CB 4.36Å; P223-C240 PolarHBondContact O-N 3.21Å; L224-C240 HydrophobicContact CD2-CB 4.35Å; L224-C240 WeakPolarHBondContact CD2-O 3.33Å | ||
| 241 | D | 71.3 | Confident | 84.7 | Confident | 88 Ų | 88 | 40.8 Ų | 40.8 | 47% | 0.471 | 22% | 0.222 | S | C | . | . | trans | -111.8 | 16 | -168.7 | -60.3 | -76.1 | 0 | 0 | 0 | 113.3 | Q152 S239 | Q152-D241 PolarHBondContact NE2-OD1 2.88Å; Q152-D241 VanDerWaalsContact OE1-C 3.29Å; Q152-D241 PolarHBondContact OE1-O 3.19Å; Q152-D241 VanDerWaalsContact OE1-O 3.1Å; S239-D241 WeakPolarHBondContact CB-OD2 3.07Å; S239-D241 PolarHBondContact OG-OD2 2.78Å | ||
| 242 | D | 78.9 | Confident | 84.5 | Confident | 51 Ų | 51 | 44 Ų | 44 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | trans | -142.6 | 111.3 | -169.5 | 178.2 | 2.3 | 0 | 0 | 0 | 111.6 | T244 Q245 | D242-T244 VanDerWaalsContact C-N 3.26Å; D242-T244 PolarHBondContact O-N 3.2Å; D242-T244 WeakPolarHBondContact OD1-CA 3.23Å; D242-T244 VanDerWaalsContact OD1-CB 3.24Å; D242-T244 WeakPolarHBondContact OD1-CB 3.29Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.42Å; D242-T244 PolarHBondContact OD1-N 2.9Å; D242-T244 PolarHBondContact OD1-OG1 3.2Å; D242-T244 PolarHBondContact OD2-OG1 3.1Å; D242-T244 VanDerWaalsContact OD2-OG1 3.1Å; D242-Q245 HydrophobicContact CB-CG 4.39Å; D242-Q245 WeakPolarHBondContact OD2-CG 3.23Å; D242-Q245 PolarHBondContact OD2-NE2 3.09Å | ||
| 243 | D | 77.7 | Confident | 84.4 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.1 | -179.4 | 80.8 | -77.7 | 0 | 0 | 0 | 113.9 | F156 R159 L246 | F156-D243 HydrophobicContact CD2-CB 4.41Å; F156-D243 HydrophobicContact CE2-CB 4.22Å; F156-D243 HydrophobicContact CZ-CB 4.31Å; R159-D243 HydrophobicContact CB-CB 4.31Å; R159-D243 WeakPolarHBondContact CD-OD2 3.3Å; R159-D243 HydrophobicContact CG-CB 4.11Å; R159-D243 WeakPolarHBondContact CG-OD2 3.28Å; R159-D243 PolarHBondContact NE-O 2.81Å; R159-D243 IonicContact NE-OD2 2.69Å; D243-L246 HydrophobicContact CB-CD1 4.33Å |
| 244 | T | 78.9 | Confident | 84.2 | Confident | 93 Ų | 93 | 42.5 Ų | 42.5 | 57% | 0.571 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -30.4 | 172 | 74.5 | 0 | 0 | 0 | 0 | 112 | D242 L246 P247 | D242-T244 VanDerWaalsContact C-N 3.26Å; D242-T244 PolarHBondContact O-N 3.2Å; D242-T244 WeakPolarHBondContact OD1-CA 3.23Å; D242-T244 VanDerWaalsContact OD1-CB 3.24Å; D242-T244 WeakPolarHBondContact OD1-CB 3.29Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.42Å; D242-T244 PolarHBondContact OD1-N 2.9Å; D242-T244 PolarHBondContact OD1-OG1 3.2Å; D242-T244 PolarHBondContact OD2-OG1 3.1Å; D242-T244 VanDerWaalsContact OD2-OG1 3.1Å; T244-L246 VanDerWaalsContact C-N 3.28Å; T244-L246 PolarHBondContact O-N 3.47Å; T244-P247 WeakPolarHBondContact O-CD 3.31Å |
| 245 | Q | 82.3 | Confident | 83.8 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 40% | 0.397 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -75.3 | -12.4 | -178.7 | -65.4 | 176.4 | 40 | 0 | 0 | 113.7 | D242 P247 Q248 I249 | D242-Q245 HydrophobicContact CB-CG 4.39Å; D242-Q245 WeakPolarHBondContact OD2-CG 3.23Å; D242-Q245 PolarHBondContact OD2-NE2 3.09Å; Q245-P247 VanDerWaalsContact C-CD 3.46Å; Q245-Q248 WeakPolarHBondContact O-CB 3.32Å; Q245-Q248 PolarHBondContact O-N 3.48Å; Q245-I249 HydrophobicContact CB-CD1 4.09Å; Q245-I249 PolarHBondContact O-N 2.82Å |
| 246 | L | 85.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -53.3 | -38.6 | -174.6 | -84.5 | 178.2 | 0 | 0 | 0 | 116.3 | F156 R159 F160 L163 L222 D243 T244 Q248 I249 L250 | F156-L246 HydrophobicContact CD1-CD1 3.62Å; F156-L246 HydrophobicContact CD1-CD2 3.88Å; F156-L246 HydrophobicContact CD1-CG 3.98Å; F156-L246 HydrophobicContact CE1-CD1 3.96Å; F156-L246 HydrophobicContact CE1-CD2 3.84Å; F156-L246 HydrophobicContact CE1-CG 3.85Å; F156-L246 HydrophobicContact CG-CD1 4.38Å; R159-L246 HydrophobicContact CB-CD1 3.85Å; R159-L246 HydrophobicContact CG-CD1 3.52Å; F160-L246 HydrophobicContact CD2-CD1 4.34Å; F160-L246 HydrophobicContact CE1-CD1 4.42Å; F160-L246 HydrophobicContact CE1-CD2 3.79Å; F160-L246 HydrophobicContact CE2-CD1 4.1Å; F160-L246 HydrophobicContact CE2-CD2 3.95Å; F160-L246 HydrophobicContact CZ-CD1 4.16Å; F160-L246 HydrophobicContact CZ-CD2 3.33Å; F160-L246 HydrophobicContact CZ-CG 4.38Å; L163-L246 HydrophobicContact CD1-CB 4.17Å; L222-L246 HydrophobicContact CD2-CD2 4.18Å; D243-L246 HydrophobicContact CB-CD1 4.33Å; T244-L246 VanDerWaalsContact C-N 3.28Å; T244-L246 PolarHBondContact O-N 3.47Å; L246-Q248 VanDerWaalsContact C-N 3.34Å; L246-Q248 PolarHBondContact O-N 3.24Å; L246-I249 HydrophobicContact CD2-CD1 4.35Å; L246-I249 PolarHBondContact O-N 3Å; L246-L250 WeakPolarHBondContact O-CG 3.42Å; L246-L250 PolarHBondContact O-N 3.27Å |
| 247 | P | 84.1 | Confident | 83.8 | Confident | 28 Ų | 28 | 52.3 Ų | 52.3 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61 | -40.6 | 173.8 | -23.5 | 35.7 | 0 | 0 | 0 | 112.9 | L163 T244 Q245 I249 L250 E251 | L163-P247 HydrophobicContact CD1-CG 4.29Å; L163-P247 HydrophobicContact CD2-CG 4.4Å; T244-P247 WeakPolarHBondContact O-CD 3.31Å; Q245-P247 VanDerWaalsContact C-CD 3.46Å; P247-I249 VanDerWaalsContact C-N 3.31Å; P247-I249 PolarHBondContact O-N 2.86Å; P247-L250 PolarHBondContact O-N 3.15Å; P247-E251 PolarHBondContact O-N 3.29Å |
| 248 | Q | 84.8 | Confident | 84 | Confident | 113 Ų | 113 | 54.9 Ų | 54.9 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.5 | -30.4 | 176.5 | -57.2 | 179.9 | 5 | 0 | 0 | 112 | Q245 L246 K252 | Q245-Q248 WeakPolarHBondContact O-CB 3.32Å; Q245-Q248 PolarHBondContact O-N 3.48Å; L246-Q248 VanDerWaalsContact C-N 3.34Å; L246-Q248 PolarHBondContact O-N 3.24Å; Q248-K252 WeakPolarHBondContact O-CB 3.41Å; Q248-K252 WeakPolarHBondContact O-CD 3.45Å; Q248-K252 VanDerWaalsContact O-CG 3.26Å; Q248-K252 WeakPolarHBondContact O-CG 3.28Å; Q248-K252 PolarHBondContact O-N 2.84Å |
| 249 | I | 87.6 | Confident | 84.5 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.7 | -40.9 | 176.2 | -65.7 | 167.4 | 0 | 0 | 0 | 110.5 | L222 W236 Q245 L246 P247 K252 L253 | L222-I249 HydrophobicContact CD1-CD1 4.06Å; L222-I249 HydrophobicContact CD1-CG2 4.06Å; W236-I249 HydrophobicContact CZ3-CG2 4.45Å; Q245-I249 HydrophobicContact CB-CD1 4.09Å; Q245-I249 PolarHBondContact O-N 2.82Å; L246-I249 HydrophobicContact CD2-CD1 4.35Å; L246-I249 PolarHBondContact O-N 3Å; P247-I249 VanDerWaalsContact C-N 3.31Å; P247-I249 PolarHBondContact O-N 2.86Å; I249-K252 PolarHBondContact O-N 3.27Å; I249-L253 WeakPolarHBondContact O-CB 3.46Å; I249-L253 PolarHBondContact O-N 3.03Å |
| 250 | L | 87.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 172.4 | -72.1 | 173 | 0 | 0 | 0 | 111.5 | L140 F160 L163 L164 L246 P247 K252 L253 E254 | L140-L250 HydrophobicContact CD2-CD2 3.38Å; F160-L250 HydrophobicContact CE1-CD2 4.14Å; L163-L250 HydrophobicContact CB-CD1 4.43Å; L163-L250 HydrophobicContact CD1-CD1 3.92Å; L164-L250 HydrophobicContact CD2-CD1 4.5Å; L246-L250 WeakPolarHBondContact O-CG 3.42Å; L246-L250 PolarHBondContact O-N 3.27Å; P247-L250 PolarHBondContact O-N 3.15Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 3.39Å; L250-L253 CarbonylContact O-C 3.54Å; L250-L253 WeakPolarHBondContact O-CA 3.36Å; L250-L253 WeakPolarHBondContact O-CB 3.46Å; L250-L253 PolarHBondContact O-N 3.16Å; L250-L253 VanDerWaalsContact O-N 3.11Å; L250-E254 PolarHBondContact O-N 3.38Å |
| 251 | E | 85.1 | Confident | 85.5 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 176.1 | -165.1 | -174.4 | 149.2 | 0 | 0 | 112.2 | Q108 P247 E254 R255 | Q108-E251 PolarHBondContact NE2-OE2 3.28Å; P247-E251 PolarHBondContact O-N 3.29Å; E251-E254 PolarHBondContact O-N 2.96Å; E251-R255 PolarHBondContact O-N 2.91Å; E251-R255 IonicContact OE1-CZ 2.72Å; E251-R255 IonicContact OE1-NH1 2.65Å; E251-R255 PolarHBondContact OE1-NH1 3.28Å; E251-R255 IonicContact OE1-NH2 3.91Å; E251-R255 PolarHBondContact OE1-NH2 2.88Å |
| 252 | K | 86.4 | Confident | 86.7 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 30% | 0.296 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.1 | -31.6 | 172.2 | -73.1 | 166.2 | -179.3 | 166.2 | 0 | 112.8 | W236 Q248 I249 L250 E254 R255 A256 E760 | W236-K252 HydrophobicContact CZ3-CB 4.34Å; Q248-K252 WeakPolarHBondContact O-CB 3.41Å; Q248-K252 WeakPolarHBondContact O-CD 3.45Å; Q248-K252 VanDerWaalsContact O-CG 3.26Å; Q248-K252 WeakPolarHBondContact O-CG 3.28Å; Q248-K252 PolarHBondContact O-N 2.84Å; I249-K252 PolarHBondContact O-N 3.27Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 3.39Å; K252-E254 VanDerWaalsContact C-N 3.3Å; K252-R255 CarbonylContact O-C 3.55Å; K252-R255 PolarHBondContact O-N 3.41Å; K252-A256 WeakPolarHBondContact O-CB 3.49Å; K252-A256 PolarHBondContact O-N 2.83Å; K252-E760 WeakPolarHBondContact CG-OE1 3.32Å |
| 253 | L | 87.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.3 | -19 | 173.9 | -163.2 | 73.6 | 0 | 0 | 0 | 112.9 | L140 R191 L193 W236 I249 L250 L753 | L140-L253 HydrophobicContact CD1-CD2 3.69Å; L140-L253 HydrophobicContact CD2-CD2 3.96Å; R191-L253 PolarHBondContact NH1-O 2.69Å; L193-L253 HydrophobicContact CB-CD2 3.99Å; L193-L253 HydrophobicContact CD1-CD1 4.27Å; L193-L253 HydrophobicContact CD1-CD2 4.04Å; L193-L253 HydrophobicContact CD2-CD2 4.13Å; L193-L253 HydrophobicContact CG-CD2 4.28Å; W236-L253 HydrophobicContact CH2-CB 4.21Å; W236-L253 HydrophobicContact CH2-CD1 3.61Å; W236-L253 HydrophobicContact CZ2-CD1 3.63Å; I249-L253 WeakPolarHBondContact O-CB 3.46Å; I249-L253 PolarHBondContact O-N 3.03Å; L250-L253 CarbonylContact O-C 3.54Å; L250-L253 WeakPolarHBondContact O-CA 3.36Å; L250-L253 WeakPolarHBondContact O-CB 3.46Å; L250-L253 PolarHBondContact O-N 3.16Å; L250-L253 VanDerWaalsContact O-N 3.11Å; L253-L753 HydrophobicContact CD1-CB 4.31Å; L253-L753 HydrophobicContact CD1-CD1 3.57Å; L253-L753 HydrophobicContact CG-CD1 4.06Å |
| 254 | E | 85.5 | Confident | 88.3 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -83.5 | -17 | 168.9 | -73.4 | 175 | 175.9 | 0 | 0 | 112.6 | S112 R191 L250 E251 K252 | S112-E254 VanDerWaalsContact CB-OE1 3.31Å; S112-E254 WeakPolarHBondContact CB-OE1 3.34Å; S112-E254 PolarHBondContact N-OE1 2.99Å; S112-E254 PolarHBondContact OG-OE1 3.41Å; R191-E254 VanDerWaalsContact NH1-CG 3.32Å; L250-E254 PolarHBondContact O-N 3.38Å; E251-E254 PolarHBondContact O-N 2.96Å; K252-E254 VanDerWaalsContact C-N 3.3Å |
| 255 | R | 83.4 | Confident | 89.1 | Confident | 164 Ų | 164 | 41.8 Ų | 41.8 | 62% | 0.619 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -109.7 | 3.5 | 174.4 | -59.8 | -169.1 | -170.4 | 106.9 | 9.1 | 114.8 | E251 K252 | E251-R255 PolarHBondContact O-N 2.91Å; E251-R255 IonicContact OE1-CZ 2.72Å; E251-R255 IonicContact OE1-NH1 2.65Å; E251-R255 PolarHBondContact OE1-NH1 3.28Å; E251-R255 IonicContact OE1-NH2 3.91Å; E251-R255 PolarHBondContact OE1-NH2 2.88Å; K252-R255 CarbonylContact O-C 3.55Å; K252-R255 PolarHBondContact O-N 3.41Å |
| 256 | A | 88.4 | Confident | 89.8 | Confident | 22 Ų | 22 | 37.7 Ų | 37.7 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 140 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | W236 K252 L753 | W236-A256 HydrophobicContact CH2-CB 4.25Å; W236-A256 HydrophobicContact CZ2-CB 4.03Å; K252-A256 WeakPolarHBondContact O-CB 3.49Å; K252-A256 PolarHBondContact O-N 2.83Å; A256-L753 HydrophobicContact CB-CB 4.13Å; A256-L753 HydrophobicContact CB-CD2 4.32Å |
| 257 | S | 89.2 | Confident | 90.2 | Very high | 60 Ų | 60 | 39.4 Ų | 39.4 | 42% | 0.42 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 158.2 | 170.9 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | L753 T754 | S257-L753 CarbonylContact O-C 3.56Å; S257-L753 WeakPolarHBondContact O-CA 3.29Å; S257-T754 PolarHBondContact N-O 3.14Å; S257-T754 PolarHBondContact O-N 3.41Å; S257-T754 PolarHBondContact O-OG1 3.11Å; S257-T754 PolarHBondContact OG-O 3.19Å; S257-T754 PolarHBondContact OG-OG1 2.81Å |
| 258 | T | 90.9 | Very high | 90.6 | Very high | 57 Ų | 57 | 38 Ų | 38 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.5 | 172 | -62 | 0 | 0 | 0 | 0 | 109.7 | Q218 Q751 M752 | Q218-T258 HydrophobicContact CG-CG2 4.34Å; T258-Q751 HydrophobicContact CG2-CB 3.77Å; T258-Q751 HydrophobicContact CG2-CG 4.12Å; T258-M752 WeakPolarHBondContact CA-O 3.43Å |
| 259 | K | 91.9 | Very high | 90.8 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 162.1 | 164.1 | -83.7 | -169.3 | 157.2 | -122 | 0 | 110 | F681 D682 M752 T754 | K259-F681 HydrophobicContact CB-CE2 4.02Å; K259-F681 HydrophobicContact CB-CZ 4.42Å; K259-F681 HydrophobicContact CD-CE2 4.02Å; K259-F681 HydrophobicContact CD-CZ 3.67Å; K259-D682 IonicContact NZ-OD1 3.16Å; K259-D682 IonicContact NZ-OD2 3.74Å; K259-D682 PolarHBondContact NZ-OD2 3.48Å; K259-M752 PolarHBondContact N-O 3.1Å; K259-M752 PolarHBondContact O-N 3.03Å; K259-T754 HydrophobicContact CB-CG2 3.97Å; K259-T754 HydrophobicContact CD-CG2 4.11Å; K259-T754 HydrophobicContact CG-CG2 4.16Å |
| 260 | M | 93.9 | Very high | 90.8 | Very high | 50 Ų | 50 | 39.4 Ų | 39.4 | 25% | 0.246 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 156.3 | 164.4 | -58.8 | -50.5 | -57.7 | 0 | 0 | 109.6 | F681 D682 R749 A750 Q751 | M260-F681 VanDerWaalsContact O-CD2 3.25Å; M260-F681 WeakPolarHBondContact O-CD2 3.17Å; M260-F681 VanDerWaalsContact O-CE2 3.29Å; M260-F681 WeakPolarHBondContact O-CE2 3.42Å; M260-D682 HydrophobicContact CB-CB 4.2Å; M260-R749 HydrophobicContact CE-CB 3.48Å; M260-R749 VanDerWaalsContact CE-CB 3.48Å; M260-A750 CarbonylContact C-O 3.53Å; M260-A750 WeakPolarHBondContact CA-O 3.45Å; M260-A750 WeakPolarHBondContact CE-O 3.49Å; M260-Q751 HydrophobicContact CE-CG 4.11Å; M260-Q751 HydrophobicContact SD-CG 3.94Å |
| 261 | L | 95 | Very high | 90.3 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 118.6 | 162.4 | 172.5 | 64.5 | 0 | 0 | 0 | 107.4 | L230 R263 N656 I657 F681 R749 A750 M752 | L230-L261 HydrophobicContact CD2-CD2 3.82Å; L261-R263 HydrophobicContact CG-CG 4.39Å; L261-N656 WeakPolarHBondContact CD1-ND2 3.31Å; L261-I657 HydrophobicContact CD1-CG2 4.28Å; L261-F681 WeakPolarHBondContact CA-O 3.41Å; L261-F681 HydrophobicContact CB-CD2 4.5Å; L261-F681 HydrophobicContact CD1-CB 3.97Å; L261-F681 HydrophobicContact CD1-CD2 4Å; L261-F681 HydrophobicContact CD1-CG 4.34Å; L261-R749 CarbonylContact O-C 3.49Å; L261-R749 VanDerWaalsContact O-CA 3.23Å; L261-R749 WeakPolarHBondContact O-CA 3.41Å; L261-A750 PolarHBondContact N-O 2.83Å; L261-A750 PolarHBondContact O-N 3.02Å; L261-M752 HydrophobicContact CB-CG 3.44Å; L261-M752 VanDerWaalsContact CB-CG 3.44Å; L261-M752 HydrophobicContact CD2-CE 4.22Å; L261-M752 HydrophobicContact CD2-CG 3.92Å; L261-M752 HydrophobicContact CD2-SD 4.11Å; L261-M752 HydrophobicContact CG-CG 4.34Å |
| 262 | D | 95.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 140 | 171.8 | -70.6 | -52.1 | 0 | 0 | 0 | 110.3 | W264 N656 F681 D682 D683 K684 H746 R749 | D262-W264 HydrophobicContact CB-CZ2 4.28Å; D262-N656 PolarHBondContact O-ND2 3.05Å; D262-F681 PolarHBondContact N-O 3.37Å; D262-D682 WeakPolarHBondContact OD2-CA 3.09Å; D262-D683 PolarHBondContact OD2-N 3.22Å; D262-D683 VanDerWaalsContact OD2-N 3.15Å; D262-K684 WeakPolarHBondContact OD1-CG 3.27Å; D262-K684 WeakPolarHBondContact OD2-CA 3.18Å; D262-K684 PolarHBondContact OD2-N 3.36Å; D262-H746 IonicContact OD1-CD2 2.66Å; D262-H746 IonicContact OD1-NE2 2.7Å; D262-R749 WeakPolarHBondContact OD1-CD 3.45Å; D262-R749 WeakPolarHBondContact OD1-CG 3.34Å |
| 263 | R | 95.2 | Very high | 87.2 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.7 | -174.9 | -65.5 | 175.6 | 63.2 | -130.6 | 4.9 | 110.2 | D209 L261 V577 N579 K747 N748 | D209-R263 IonicContact OD1-CZ 3.69Å; D209-R263 IonicContact OD1-NH1 2.59Å; D209-R263 PolarHBondContact OD1-NH1 2.99Å; D209-R263 IonicContact OD2-CZ 3.76Å; D209-R263 VanDerWaalsContact OD2-CZ 3.26Å; D209-R263 IonicContact OD2-NH1 2.74Å; D209-R263 PolarHBondContact OD2-NH1 3.3Å; D209-R263 IonicContact OD2-NH2 2.63Å; D209-R263 PolarHBondContact OD2-NH2 2.85Å; L261-R263 HydrophobicContact CG-CG 4.39Å; R263-V577 HydrophobicContact CB-CG1 4.18Å; R263-N579 PolarHBondContact NE-OD1 3.43Å; R263-K747 WeakPolarHBondContact O-CA 3.49Å; R263-K747 WeakPolarHBondContact O-CB 3.36Å; R263-K747 PolarHBondContact O-N 3.35Å; R263-N748 PolarHBondContact N-O 2.92Å; R263-N748 PolarHBondContact NH1-OD1 3.2Å; R263-N748 PolarHBondContact O-N 2.78Å |
| 264 | W | 96.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127 | -156.9 | -61.4 | 88.5 | 0 | 0 | 0 | 111.5 | D262 V577 M578 N656 L686 R714 I744 Q745 H746 | D262-W264 HydrophobicContact CB-CZ2 4.28Å; W264-V577 CarbonylContact O-C 3.53Å; W264-V577 VanDerWaalsContact O-CA 3.32Å; W264-V577 WeakPolarHBondContact O-CA 3.46Å; W264-M578 HydrophobicContact CB-CB 4.21Å; W264-M578 HydrophobicContact CB-CE 3.7Å; W264-M578 HydrophobicContact CG-CE 3.75Å; W264-M578 PolarHBondContact N-O 2.95Å; W264-M578 PolarHBondContact O-N 3.36Å; W264-N656 VanDerWaalsContact NE1-CG 3.28Å; W264-N656 PolarHBondContact NE1-OD1 3.21Å; W264-L686 HydrophobicContact CD2-CD1 3.87Å; W264-L686 HydrophobicContact CD2-CD2 3.84Å; W264-L686 HydrophobicContact CD2-CG 3.98Å; W264-L686 HydrophobicContact CE3-CD1 3.57Å; W264-L686 HydrophobicContact CE3-CD2 4.36Å; W264-L686 HydrophobicContact CE3-CG 4Å; W264-L686 HydrophobicContact CG-CD2 4.19Å; W264-L686 HydrophobicContact CH2-CD1 4.13Å; W264-L686 HydrophobicContact CH2-CD2 4.4Å; W264-L686 HydrophobicContact CH2-CG 3.76Å; W264-L686 HydrophobicContact CZ2-CD1 4.38Å; W264-L686 HydrophobicContact CZ2-CD2 3.85Å; W264-L686 HydrophobicContact CZ2-CG 3.71Å; W264-L686 HydrophobicContact CZ3-CD1 3.72Å; W264-L686 HydrophobicContact CZ3-CG 3.9Å; W264-R714 WeakPolarHBondContact CZ3-O 3.21Å; W264-I744 HydrophobicContact CB-CG2 4.06Å; W264-I744 HydrophobicContact CE3-CG2 4.31Å; W264-Q745 VanDerWaalsContact CE3-C 3.41Å; W264-H746 VanDerWaalsContact CE3-CA 3.46Å; W264-H746 HydrophobicContact CE3-CB 3.97Å; W264-H746 HydrophobicContact CH2-CB 4.01Å; W264-H746 HydrophobicContact CZ3-CB 3.68Å; W264-H746 VanDerWaalsContact CZ3-N 3.33Å |
| 265 | S | 95.8 | Very high | 82.4 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127 | 176.8 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | E574 I744 Q745 | S265-E574 VanDerWaalsContact CB-OE1 3.27Å; S265-E574 WeakPolarHBondContact CB-OE1 3.34Å; S265-E574 PolarHBondContact OG-OE1 3.41Å; S265-I744 WeakPolarHBondContact O-CA 3.33Å; S265-Q745 PolarHBondContact N-O 3.2Å; S265-Q745 PolarHBondContact O-N 2.94Å |
| 266 | I | 95.4 | Very high | 80 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 97.1 | 173.3 | -52.7 | -62.7 | 0 | 0 | 0 | 107.7 | K575 C576 M578 F582 V730 I742 I744 | I266-K575 PolarHBondContact O-N 3.44Å; I266-C576 PolarHBondContact N-O 3.45Å; I266-M578 HydrophobicContact CD1-CB 3.89Å; I266-M578 HydrophobicContact CD1-SD 4.43Å; I266-M578 HydrophobicContact CG1-CB 4.04Å; I266-F582 HydrophobicContact CD1-CD2 4.41Å; I266-V730 HydrophobicContact CD1-CG2 4.47Å; I266-V730 HydrophobicContact CG1-CG1 4.46Å; I266-V730 HydrophobicContact CG1-CG2 4.08Å; I266-I742 HydrophobicContact CG2-CG2 4.06Å; I266-I744 HydrophobicContact CD1-CB 4.25Å; I266-I744 HydrophobicContact CD1-CD1 3.98Å; I266-I744 HydrophobicContact CD1-CG1 3.72Å; I266-I744 HydrophobicContact CD1-CG2 3.87Å |
| 267 | M | 94.1 | Very high | 77.3 | Confident | 35 Ų | 35 | 67 Ų | 67 | 17% | 0.172 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 138.8 | 179.8 | -62.8 | -87.7 | -83 | 0 | 0 | 109.5 | Y572 M573 E574 I742 K743 | M267-Y572 HydrophobicContact CB-CD1 4.22Å; M267-M573 CarbonylContact C-O 3.49Å; M267-M573 WeakPolarHBondContact CA-O 3.32Å; M267-E574 HydrophobicContact SD-CB 3.88Å; M267-I742 CarbonylContact O-C 3.51Å; M267-I742 WeakPolarHBondContact O-CA 3.36Å; M267-K743 HydrophobicContact CB-CB 4.34Å; M267-K743 WeakPolarHBondContact CB-O 3.24Å; M267-K743 PolarHBondContact N-O 2.89Å; M267-K743 PolarHBondContact O-N 2.65Å |
| 268 | T | 93.1 | Very high | 74.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.8 | 176 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | Y572 M573 K575 V741 I742 | T268-Y572 WeakPolarHBondContact O-CA 3.46Å; T268-M573 PolarHBondContact N-O 2.97Å; T268-M573 PolarHBondContact O-N 3Å; T268-K575 HydrophobicContact CG2-CG 3.68Å; T268-K575 WeakPolarHBondContact OG1-CE 3.27Å; T268-K575 VanDerWaalsContact OG1-CG 3.26Å; T268-K575 WeakPolarHBondContact OG1-CG 3.49Å; T268-V741 CarbonylContact C-O 3.58Å; T268-V741 WeakPolarHBondContact CA-O 3.34Å; T268-I742 HydrophobicContact CG2-CG1 4.38Å; T268-I742 HydrophobicContact CG2-CG2 4.47Å |
| 269 | Y | 90.2 | Very high | 71.3 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 35% | 0.345 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121.7 | 166.6 | 176.1 | -84.9 | 0 | 0 | 0 | 108.5 | I271 Y572 G740 V741 | Y269-I271 HydrophobicContact CD1-CG1 4.23Å; Y269-I271 HydrophobicContact CE1-CG1 4.04Å; Y269-Y572 HydrophobicContact CD2-CD2 4.29Å; Y269-Y572 HydrophobicContact CD2-CE2 4.31Å; Y269-Y572 HydrophobicContact CG-CE2 4.38Å; Y269-G740 CarbonylContact O-C 3.55Å; Y269-G740 WeakPolarHBondContact O-CA 3.44Å; Y269-V741 PolarHBondContact N-O 3.28Å; Y269-V741 PolarHBondContact O-N 2.92Å |
| 270 | E | 85.7 | Confident | 68.8 | Low | 74 Ų | 74 | 79.1 Ų | 79.1 | 35% | 0.346 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 125.6 | -178.9 | -67 | 168.6 | -166 | 0 | 0 | 109.2 | K272 K575 P738 | E270-K272 PolarHBondContact O-N 3.2Å; E270-K575 WeakPolarHBondContact OE1-CE 3.36Å; E270-K575 IonicContact OE1-NZ 3Å; E270-K575 PolarHBondContact OE1-NZ 3.32Å; E270-P738 HydrophobicContact CG-CG 4.2Å |
| 271 | I | 77.8 | Confident | 65.5 | Low | 79 Ų | 79 | 83.2 Ų | 83.2 | 41% | 0.405 | 43% | 0.428 | S | S | . | . | trans | -78 | 107.6 | -177.7 | -68.5 | 162.4 | 0 | 0 | 0 | 108.5 | Y269 I273 P739 | Y269-I271 HydrophobicContact CD1-CG1 4.23Å; Y269-I271 HydrophobicContact CE1-CG1 4.04Å; I271-I273 VanDerWaalsContact C-N 3.31Å; I271-I273 HydrophobicContact CG2-CG1 4.13Å; I271-I273 PolarHBondContact O-N 3.38Å; I271-P739 PolarHBondContact N-O 2.88Å | ||
| 272 | K | 55.9 | Low | 62.2 | Low | 192 Ų | 192 | 89.2 Ų | 89.2 | 84% | 0.835 | 47% | 0.465 | S | S | * | . | trans | -72.7 | 85.5 | 171.2 | -68 | -176 | 179.9 | 180 | 0 | 110 | E270 P274 | E270-K272 PolarHBondContact O-N 3.2Å; K272-P274 WeakPolarHBondContact O-CD 3.29Å | ||
| 273 | I | 50.2 | Low | 59.5 | Low | 100 Ų | 100 | 94.8 Ų | 94.8 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 120.7 | 167.7 | -56.2 | 176.8 | 0 | 0 | 0 | 107.6 | I271 D723 | I271-I273 VanDerWaalsContact C-N 3.31Å; I271-I273 HydrophobicContact CG2-CG1 4.13Å; I271-I273 PolarHBondContact O-N 3.38Å; I273-D723 WeakPolarHBondContact CD1-OD1 3.49Å |
| 274 | P | 36.6 | Very low | 56.3 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 67% | 0.669 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 134 | 175.2 | -19.3 | 32.6 | 0 | 0 | 0 | 109.8 | K272 K276 | K272-P274 WeakPolarHBondContact O-CD 3.29Å; P274-K276 PolarHBondContact O-N 3.15Å |
| 275 | P | 36 | Very low | 53.1 | Low | 107 Ų | 107 | 108.3 Ų | 108.3 | 70% | 0.695 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 125.1 | 171.4 | 26.5 | -33 | 0 | 0 | 0 | 108.7 | H277 | P275-H277 PolarHBondContact O-N 3.42Š|
| 276 | K | 33.2 | Very low | 49.8 | Very low | 210 Ų | 210 | 112.8 Ų | 112.8 | 91% | 0.913 | 62% | 0.624 | S | S | * | * | trans | -61.6 | 108.9 | 178.1 | -73.2 | -178.4 | 178.6 | 175.2 | 0 | 109 | P274 S278 | P274-K276 PolarHBondContact O-N 3.15Å; K276-S278 PolarHBondContact O-N 3.32Å | ||
| 277 | H | 31.7 | Very low | 46.9 | Very low | 163 Ų | 163 | 120.9 Ų | 120.9 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | -62.1 | 126.6 | 173.6 | -88.7 | -92 | 0 | 0 | 0 | 110.2 | P275 Y279 | P275-H277 PolarHBondContact O-N 3.42Å; H277-Y279 PolarHBondContact O-N 3.15Å | ||
| 278 | S | 29.6 | Very low | 43.8 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | trans | -72.7 | 115.3 | 170.9 | 38.1 | 0 | 0 | 0 | 0 | 110.3 | K276 | K276-S278 PolarHBondContact O-N 3.32Š| ||
| 279 | Y | 25.2 | Very low | 40.8 | Very low | 211 Ų | 211 | 131.9 Ų | 131.9 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | -89.1 | 137.8 | 164.5 | -83.5 | -89.5 | 0 | 0 | 0 | 109.8 | H277 | H277-Y279 PolarHBondContact O-N 3.15Š| ||
| 280 | P | 38.2 | Very low | 38.1 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -92.2 | 126.7 | -177.8 | 33.8 | -32 | 0 | 0 | 0 | 112.5 | ||||
| 281 | T | 25.2 | Very low | 35.9 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -140.5 | 156.1 | 164.9 | -39.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 282 | T | 26.2 | Very low | 34.3 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 160.6 | -173.1 | 36 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 283 | P | 37.6 | Very low | 34.2 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -85 | 141.9 | -175.4 | 34 | -34.9 | 0 | 0 | 0 | 113.3 | ||||
| 284 | E | 28.4 | Very low | 34.4 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | trans | -169.8 | 130.8 | 140.3 | -111.8 | 165.2 | -155.9 | 0 | 0 | 111.7 | ||||
| 285 | G | 30 | Very low | 35.1 | Very low | 85 Ų | 85 | 136 Ų | 136 | 88% | 0.876 | 75% | 0.754 | S | S | * | * | trans | 59.8 | 73.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 286 | A | 26.1 | Very low | 36.2 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | trans | -164.5 | 112.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 287 | D | 33.2 | Very low | 37.5 | Very low | 171 Ų | 171 | 126.1 Ų | 126.1 | 91% | 0.914 | 71% | 0.709 | S | S | * | * | trans | -82 | 125.5 | 160.2 | -80 | -52.7 | 0 | 0 | 0 | 108.7 | ||||
| 288 | D | 28.9 | Very low | 38.9 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | -166.1 | 171.4 | 111.2 | -140.6 | -31.3 | 0 | 0 | 0 | 112 | |||||
| 289 | C | 30.6 | Very low | 40.4 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 71% | 0.709 | 69% | 0.685 | S | S | * | * | trans | 60.6 | 57.4 | 168.3 | -151.5 | 0 | 0 | 0 | 0 | 117.3 | Q291 | C289-Q291 PolarHBondContact O-N 2.98Š| ||
| 290 | Q | 34.8 | Very low | 42.6 | Very low | 191 Ų | 191 | 115.3 Ų | 115.3 | 89% | 0.893 | 66% | 0.657 | S | S | * | * | trans | -77 | 98.5 | 153.9 | -80 | -166.2 | 0 | 0 | 0 | 110.6 | F292 | Q290-F292 PolarHBondContact O-N 2.87Š| ||
| 291 | Q | 38.5 | Very low | 44.1 | Very low | 167 Ų | 167 | 110.2 Ų | 110.2 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | trans | -61.3 | 129.5 | 180 | -150.8 | 170.7 | 25.4 | 0 | 0 | 111.8 | C289 H293 | C289-Q291 PolarHBondContact O-N 2.98Å; Q291-H293 PolarHBondContact O-N 3.49Å | ||
| 292 | F | 43.8 | Very low | 46.2 | Very low | 130 Ų | 130 | 106.6 Ų | 106.6 | 57% | 0.57 | 60% | 0.601 | S | S | * | * | trans | -66.6 | 98.7 | -170.9 | -105.5 | -102.9 | 0 | 0 | 0 | 113.1 | Q290 I294 A338 | Q290-F292 PolarHBondContact O-N 2.87Å; F292-I294 HydrophobicContact CB-CD1 4.5Å; F292-I294 HydrophobicContact CB-CG1 4.39Å; F292-I294 HydrophobicContact CD1-CD1 4.23Å; F292-I294 HydrophobicContact CD1-CG1 4.15Å; F292-I294 PolarHBondContact O-N 3.09Å; F292-A338 HydrophobicContact CE1-CB 4.36Å; F292-A338 HydrophobicContact CZ-CB 3.92Å | ||
| 293 | H | 53.6 | Low | 48.4 | Very low | 135 Ų | 135 | 102.9 Ų | 102.9 | 63% | 0.625 | 58% | 0.578 | S | S | * | * | trans | -76 | 54.3 | -179.4 | -104.7 | -66 | 0 | 0 | 0 | 114.6 | Q291 S295 A296 | Q291-H293 PolarHBondContact O-N 3.49Å; H293-S295 VanDerWaalsContact C-N 3.25Å; H293-S295 PolarHBondContact O-N 3.36Å; H293-A296 PolarHBondContact O-N 3.34Å | ||
| 294 | I | 55.7 | Low | 50 | Low | 24 Ų | 24 | 98.6 Ų | 98.6 | 12% | 0.123 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -60.4 | -34.7 | 177.6 | -64 | 173.5 | 0 | 0 | 0 | 111.6 | F292 A296 Y297 E298 F331 I435 V442 | F292-I294 HydrophobicContact CB-CD1 4.5Å; F292-I294 HydrophobicContact CB-CG1 4.39Å; F292-I294 HydrophobicContact CD1-CD1 4.23Å; F292-I294 HydrophobicContact CD1-CG1 4.15Å; F292-I294 PolarHBondContact O-N 3.09Å; I294-A296 VanDerWaalsContact C-N 3.26Å; I294-A296 PolarHBondContact O-N 3.32Å; I294-Y297 PolarHBondContact O-N 2.91Å; I294-Y297 VanDerWaalsContact O-N 3.09Å; I294-E298 PolarHBondContact O-N 3.14Å; I294-F331 HydrophobicContact CG2-CE2 4.43Å; I294-I435 HydrophobicContact CG2-CG2 4.39Å; I294-V442 HydrophobicContact CD1-CG2 4.39Å |
| 295 | S | 51.6 | Low | 51.8 | Low | 75 Ų | 75 | 89.3 Ų | 89.3 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.6 | -30.8 | 180 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | H293 E298 H299 | H293-S295 VanDerWaalsContact C-N 3.25Å; H293-S295 PolarHBondContact O-N 3.36Å; S295-E298 PolarHBondContact O-N 3.49Å; S295-H299 PolarHBondContact O-N 2.83Å; S295-H299 VanDerWaalsContact O-N 3.11Å |
| 296 | A | 57.7 | Low | 53.6 | Low | 55 Ų | 55 | 88 Ų | 88 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | H293 I294 S300 | H293-A296 PolarHBondContact O-N 3.34Å; I294-A296 VanDerWaalsContact C-N 3.26Å; I294-A296 PolarHBondContact O-N 3.32Å; A296-S300 WeakPolarHBondContact O-CB 3.46Å; A296-S300 PolarHBondContact O-N 3.32Å |
| 297 | Y | 61.6 | Low | 55.8 | Low | 55 Ų | 55 | 87.9 Ų | 87.9 | 22% | 0.216 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -69.2 | -41.1 | 175.5 | -67.8 | -92.8 | 0 | 0 | 0 | 111.2 | I294 H299 S300 V301 T327 D330 F331 K334 | I294-Y297 PolarHBondContact O-N 2.91Å; I294-Y297 VanDerWaalsContact O-N 3.09Å; Y297-H299 VanDerWaalsContact C-N 3.35Å; Y297-H299 PolarHBondContact O-N 3.5Å; Y297-S300 PolarHBondContact O-N 3.48Å; Y297-V301 VanDerWaalsContact O-CB 3.26Å; Y297-V301 WeakPolarHBondContact O-CB 3.09Å; Y297-V301 VanDerWaalsContact O-CG2 3.26Å; Y297-V301 WeakPolarHBondContact O-CG2 3.26Å; Y297-V301 PolarHBondContact O-N 3.27Å; Y297-T327 HydrophobicContact CD1-CG2 3.95Å; Y297-D330 WeakPolarHBondContact CE1-OD2 3.43Å; Y297-D330 PolarHBondContact OH-OD2 3.19Å; Y297-D330 VanDerWaalsContact OH-OD2 3.08Å; Y297-F331 HydrophobicContact CD1-CB 3.92Å; Y297-F331 HydrophobicContact CD1-CD2 4.12Å; Y297-F331 HydrophobicContact CD1-CG 4.45Å; Y297-F331 HydrophobicContact CD2-CD2 4.35Å; Y297-F331 HydrophobicContact CE1-CB 4.28Å; Y297-F331 AromaticContact CG-CD2 3.92Å; Y297-F331 HydrophobicContact CG-CD2 3.92Å; Y297-K334 WeakPolarHBondContact OH-CD 3.32Å; Y297-K334 PolarHBondContact OH-NZ 2.97Å |
| 298 | E | 60.2 | Low | 57.5 | Low | 94 Ų | 94 | 80.3 Ų | 80.3 | 44% | 0.439 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 176 | -172.7 | -177 | -172.3 | 0 | 0 | 111.7 | I294 S295 T302 | I294-E298 PolarHBondContact O-N 3.14Å; S295-E298 PolarHBondContact O-N 3.49Å; E298-T302 WeakPolarHBondContact O-CB 3.43Å; E298-T302 PolarHBondContact O-N 3.33Å; E298-T302 PolarHBondContact O-OG1 3.09Å |
| 299 | H | 61.3 | Low | 59.1 | Low | 138 Ų | 138 | 74.7 Ų | 74.7 | 64% | 0.639 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 179.3 | -166.6 | 83.1 | 0 | 0 | 0 | 112.3 | S295 Y297 T303 | S295-H299 PolarHBondContact O-N 2.83Å; S295-H299 VanDerWaalsContact O-N 3.11Å; Y297-H299 VanDerWaalsContact C-N 3.35Å; Y297-H299 PolarHBondContact O-N 3.5Å; H299-T303 VanDerWaalsContact O-CB 3.31Å; H299-T303 WeakPolarHBondContact O-CB 3.5Å; H299-T303 PolarHBondContact O-N 3.18Å; H299-T303 PolarHBondContact O-OG1 2.91Å |
| 300 | S | 70.8 | Confident | 60.7 | Low | 34 Ų | 34 | 75.8 Ų | 75.8 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.2 | -54.4 | 174.9 | -179 | 0 | 0 | 0 | 0 | 111.7 | A296 Y297 T302 T303 H304 | A296-S300 WeakPolarHBondContact O-CB 3.46Å; A296-S300 PolarHBondContact O-N 3.32Å; Y297-S300 PolarHBondContact O-N 3.48Å; S300-T302 VanDerWaalsContact C-N 3.3Å; S300-T302 PolarHBondContact O-N 3.12Å; S300-T303 PolarHBondContact O-N 3.39Å; S300-H304 PolarHBondContact O-CD2 3.01Å; S300-H304 VanDerWaalsContact O-CD2 3.3Å; S300-H304 PolarHBondContact O-N 2.72Å |
| 301 | V | 70.8 | Confident | 62.5 | Low | 12 Ų | 12 | 67.8 Ų | 67.8 | 7% | 0.073 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.8 | -44.8 | 179.1 | 164.1 | 0 | 0 | 0 | 0 | 111.1 | Y297 H304 L305 L324 T327 V328 V431 | Y297-V301 VanDerWaalsContact O-CB 3.26Å; Y297-V301 WeakPolarHBondContact O-CB 3.09Å; Y297-V301 VanDerWaalsContact O-CG2 3.26Å; Y297-V301 WeakPolarHBondContact O-CG2 3.26Å; Y297-V301 PolarHBondContact O-N 3.27Å; V301-H304 PolarHBondContact O-N 2.58Å; V301-L305 HydrophobicContact CG1-CD1 3.69Å; V301-L305 HydrophobicContact CG1-CG 4.45Å; V301-L305 VanDerWaalsContact O-CB 3.29Å; V301-L305 WeakPolarHBondContact O-CB 3.5Å; V301-L305 WeakPolarHBondContact O-CG 3.42Å; V301-L305 PolarHBondContact O-N 3.47Å; V301-L324 HydrophobicContact CB-CD1 4.14Å; V301-L324 HydrophobicContact CG1-CD1 3.99Å; V301-L324 HydrophobicContact CG2-CD1 3.97Å; V301-T327 HydrophobicContact CG2-CG2 4.05Å; V301-V328 HydrophobicContact CG2-CG2 4.22Å; V301-V431 HydrophobicContact CG1-CG1 4.26Å |
| 302 | T | 68.6 | Low | 63 | Low | 62 Ų | 62 | 67.6 Ų | 67.6 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | -180 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | E298 S300 T306 | E298-T302 WeakPolarHBondContact O-CB 3.43Å; E298-T302 PolarHBondContact O-N 3.33Å; E298-T302 PolarHBondContact O-OG1 3.09Å; S300-T302 VanDerWaalsContact C-N 3.3Å; S300-T302 PolarHBondContact O-N 3.12Å; T302-T306 WeakPolarHBondContact O-CB 3.43Å; T302-T306 PolarHBondContact O-N 3.27Å; T302-T306 PolarHBondContact O-OG1 3.35Å |
| 303 | T | 71.9 | Confident | 63.9 | Low | 48 Ų | 48 | 67.3 Ų | 67.3 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 175.5 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | H299 S300 T306 K307 | H299-T303 VanDerWaalsContact O-CB 3.31Å; H299-T303 WeakPolarHBondContact O-CB 3.5Å; H299-T303 PolarHBondContact O-N 3.18Å; H299-T303 PolarHBondContact O-OG1 2.91Å; S300-T303 PolarHBondContact O-N 3.39Å; T303-T306 PolarHBondContact O-N 2.72Å; T303-K307 HydrophobicContact CG2-CD 4.35Å; T303-K307 WeakPolarHBondContact O-CG 3.39Å; T303-K307 PolarHBondContact O-N 2.73Å |
| 304 | H | 71.3 | Confident | 64 | Low | 27 Ų | 27 | 66.2 Ų | 66.2 | 13% | 0.125 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.9 | -38.5 | -179.7 | -76.8 | -81.5 | 0 | 0 | 0 | 112.9 | S300 V301 T306 K307 I308 L324 | S300-H304 PolarHBondContact O-CD2 3.01Å; S300-H304 VanDerWaalsContact O-CD2 3.3Å; S300-H304 PolarHBondContact O-N 2.72Å; V301-H304 PolarHBondContact O-N 2.58Å; H304-T306 VanDerWaalsContact C-N 3.3Å; H304-T306 PolarHBondContact O-N 3.46Å; H304-K307 PolarHBondContact O-N 2.87Å; H304-I308 WeakPolarHBondContact O-CD1 3.39Å; H304-I308 VanDerWaalsContact O-CG1 3.26Å; H304-I308 WeakPolarHBondContact O-CG1 3.42Å; H304-I308 PolarHBondContact O-N 3.4Å; H304-L324 HydrophobicContact CB-CB 4.12Å; H304-L324 HydrophobicContact CB-CD1 4.45Å |
| 305 | L | 67.6 | Low | 64.4 | Low | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.9 | -39 | 170.3 | -79.2 | 168.1 | 0 | 0 | 0 | 112.4 | V301 I308 L309 L324 K428 | V301-L305 HydrophobicContact CG1-CD1 3.69Å; V301-L305 HydrophobicContact CG1-CG 4.45Å; V301-L305 VanDerWaalsContact O-CB 3.29Å; V301-L305 WeakPolarHBondContact O-CB 3.5Å; V301-L305 WeakPolarHBondContact O-CG 3.42Å; V301-L305 PolarHBondContact O-N 3.47Å; L305-I308 PolarHBondContact O-N 2.78Å; L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 2.91Å; L305-L324 HydrophobicContact CD2-CD2 3.62Å; L305-L324 HydrophobicContact CG-CD1 4.34Å; L305-L324 HydrophobicContact CG-CD2 3.81Å; L305-K428 HydrophobicContact CD1-CB 3.97Å; L305-K428 HydrophobicContact CD1-CD 4.15Å; L305-K428 HydrophobicContact CD1-CG 3.9Å |
| 306 | T | 67.8 | Low | 65.3 | Low | 59 Ų | 59 | 67.5 Ų | 67.5 | 36% | 0.362 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.1 | -38.4 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | T302 T303 H304 L309 N310 | T302-T306 WeakPolarHBondContact O-CB 3.43Å; T302-T306 PolarHBondContact O-N 3.27Å; T302-T306 PolarHBondContact O-OG1 3.35Å; T303-T306 PolarHBondContact O-N 2.72Å; H304-T306 VanDerWaalsContact C-N 3.3Å; H304-T306 PolarHBondContact O-N 3.46Å; T306-L309 PolarHBondContact O-N 2.86Å; T306-N310 WeakPolarHBondContact O-CB 3.23Å; T306-N310 PolarHBondContact O-N 2.82Å |
| 307 | K | 71.3 | Confident | 65.8 | Low | 98 Ų | 98 | 65.7 Ų | 65.7 | 43% | 0.426 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 171.9 | -71.6 | 172 | -179.7 | 175.7 | 0 | 112.6 | T303 H304 S311 | T303-K307 HydrophobicContact CG2-CD 4.35Å; T303-K307 WeakPolarHBondContact O-CG 3.39Å; T303-K307 PolarHBondContact O-N 2.73Å; H304-K307 PolarHBondContact O-N 2.87Å; K307-S311 WeakPolarHBondContact O-CB 3.39Å; K307-S311 PolarHBondContact O-N 2.99Å; K307-S311 VanDerWaalsContact O-N 3.1Å |
| 308 | I | 69.6 | Low | 65.9 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | 176.2 | -70.3 | 162.2 | 0 | 0 | 0 | 112 | H304 L305 V317 A321 L324 L420 | H304-I308 WeakPolarHBondContact O-CD1 3.39Å; H304-I308 VanDerWaalsContact O-CG1 3.26Å; H304-I308 WeakPolarHBondContact O-CG1 3.42Å; H304-I308 PolarHBondContact O-N 3.4Å; L305-I308 PolarHBondContact O-N 2.78Å; I308-V317 HydrophobicContact CG2-CG1 4.26Å; I308-A321 HydrophobicContact CD1-CB 3.97Å; I308-A321 HydrophobicContact CG1-CB 4.38Å; I308-L324 HydrophobicContact CD1-CB 4.42Å; I308-L324 HydrophobicContact CD1-CD2 3.61Å; I308-L420 HydrophobicContact CG2-CD2 4.44Å |
| 309 | L | 63.2 | Low | 66.4 | Low | 43 Ų | 43 | 63.6 Ų | 63.6 | 23% | 0.225 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -79.7 | -38.3 | -177.6 | -69.7 | 168.6 | 0 | 0 | 0 | 113.1 | L305 T306 M421 | L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 2.91Å; T306-L309 PolarHBondContact O-N 2.86Å; L309-M421 HydrophobicContact CD2-CG 4.27Å |
| 310 | N | 63.3 | Low | 67 | Low | 128 Ų | 128 | 57.3 Ų | 57.3 | 68% | 0.684 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -102.1 | -9.6 | -169.5 | -62.8 | -2.1 | 0 | 0 | 0 | 114.4 | T306 | T306-N310 WeakPolarHBondContact O-CB 3.23Å; T306-N310 PolarHBondContact O-N 2.82Å |
| 311 | S | 72 | Confident | 66.9 | Low | 24 Ų | 24 | 55.8 Ų | 55.8 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | trans | -84.1 | 142.4 | 175.6 | -168 | 0 | 0 | 0 | 0 | 111.9 | K307 Q313 R417 | K307-S311 WeakPolarHBondContact O-CB 3.39Å; K307-S311 PolarHBondContact O-N 2.99Å; K307-S311 VanDerWaalsContact O-N 3.1Å; S311-Q313 PolarHBondContact OG-N 3.43Å; S311-R417 PolarHBondContact O-NH2 2.83Å | ||
| 312 | E | 50.3 | Low | 66.8 | Low | 162 Ų | 162 | 60.8 Ų | 60.8 | 76% | 0.757 | 32% | 0.322 | S | S | * | . | trans | -98.1 | -6.7 | 173 | -54.9 | -163.8 | 130.7 | 0 | 0 | 112.7 | ||||
| 313 | Q | 61.2 | Low | 67.1 | Low | 125 Ų | 125 | 61.3 Ų | 61.3 | 58% | 0.584 | 32% | 0.321 | S | S | * | . | trans | -92.4 | 112.1 | 179.3 | -68.2 | -177 | -6.3 | 0 | 0 | 110.9 | S311 S315 V316 V317 | S311-Q313 PolarHBondContact OG-N 3.43Å; Q313-S315 PolarHBondContact O-N 3.01Å; Q313-S315 VanDerWaalsContact O-N 3.15Å; Q313-V316 HydrophobicContact CB-CB 4.16Å; Q313-V316 HydrophobicContact CB-CG2 3.87Å; Q313-V316 PolarHBondContact O-N 3.01Å; Q313-V317 PolarHBondContact O-N 3.2Å | ||
| 314 | H | 57.2 | Low | 67.1 | Low | 111 Ų | 111 | 59.1 Ų | 59.1 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.7 | -34.9 | -179.3 | -81.6 | -108.9 | 0 | 0 | 0 | 113.4 | V316 V317 I318 | H314-V316 PolarHBondContact O-N 2.86Å; H314-V317 PolarHBondContact O-N 2.79Å; H314-I318 WeakPolarHBondContact O-CB 3.36Å; H314-I318 WeakPolarHBondContact O-CD1 3.38Å; H314-I318 VanDerWaalsContact O-CG1 3.23Å; H314-I318 WeakPolarHBondContact O-CG1 3.44Å; H314-I318 PolarHBondContact O-N 3.33Å |
| 315 | S | 64.2 | Low | 66.9 | Low | 81 Ų | 81 | 58.2 Ų | 58.2 | 57% | 0.566 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -62.4 | -40.4 | 174.9 | 50.3 | 0 | 0 | 0 | 0 | 113.1 | Q313 S319 | Q313-S315 PolarHBondContact O-N 3.01Å; Q313-S315 VanDerWaalsContact O-N 3.15Å; S315-S319 WeakPolarHBondContact O-CB 3.31Å; S315-S319 PolarHBondContact O-N 2.88Å; S315-S319 PolarHBondContact O-OG 3.12Å |
| 316 | V | 69.8 | Low | 67.1 | Low | 45 Ų | 45 | 64.1 Ų | 64.1 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72.1 | -36.5 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 111 | Q313 H314 S319 S320 | Q313-V316 HydrophobicContact CB-CB 4.16Å; Q313-V316 HydrophobicContact CB-CG2 3.87Å; Q313-V316 PolarHBondContact O-N 3.01Å; H314-V316 PolarHBondContact O-N 2.86Å; V316-S319 WeakPolarHBondContact CA-OG 3.5Å; V316-S319 PolarHBondContact O-OG 3.34Å; V316-S320 WeakPolarHBondContact O-CB 3.31Å; V316-S320 PolarHBondContact O-N 2.9Å; V316-S320 PolarHBondContact O-OG 3.21Å |
| 317 | V | 68.8 | Low | 67.5 | Low | 17 Ų | 17 | 62.3 Ų | 62.3 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -49.9 | 173.5 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | I308 Q313 H314 S320 A321 | I308-V317 HydrophobicContact CG2-CG1 4.26Å; Q313-V317 PolarHBondContact O-N 3.2Å; H314-V317 PolarHBondContact O-N 2.79Å; V317-S320 PolarHBondContact O-N 2.88Å; V317-A321 VanDerWaalsContact O-CB 3.29Å; V317-A321 WeakPolarHBondContact O-CB 3.45Å; V317-A321 PolarHBondContact O-N 3.09Å |
| 318 | I | 63.7 | Low | 67.5 | Low | 49 Ų | 49 | 57.7 Ų | 57.7 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | -178.6 | -69 | 162.6 | 0 | 0 | 0 | 111.6 | H314 A321 K322 L370 | H314-I318 WeakPolarHBondContact O-CB 3.36Å; H314-I318 WeakPolarHBondContact O-CD1 3.38Å; H314-I318 VanDerWaalsContact O-CG1 3.23Å; H314-I318 WeakPolarHBondContact O-CG1 3.44Å; H314-I318 PolarHBondContact O-N 3.33Å; I318-A321 PolarHBondContact O-N 3.14Å; I318-K322 WeakPolarHBondContact O-CG 3.49Å; I318-K322 PolarHBondContact O-N 2.84Å; I318-L370 HydrophobicContact CG1-CD2 4.21Å |
| 319 | S | 69.7 | Low | 67.6 | Low | 56 Ų | 56 | 61.2 Ų | 61.2 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | S315 V316 A321 K322 I323 | S315-S319 WeakPolarHBondContact O-CB 3.31Å; S315-S319 PolarHBondContact O-N 2.88Å; S315-S319 PolarHBondContact O-OG 3.12Å; V316-S319 WeakPolarHBondContact CA-OG 3.5Å; V316-S319 PolarHBondContact O-OG 3.34Å; S319-A321 VanDerWaalsContact C-N 3.29Å; S319-A321 PolarHBondContact O-N 3.34Å; S319-K322 PolarHBondContact O-N 3.27Å; S319-I323 WeakPolarHBondContact O-CG1 3.29Å; S319-I323 PolarHBondContact O-N 3.13Å; S319-I323 VanDerWaalsContact O-N 3.13Å |
| 320 | S | 75.1 | Confident | 68.1 | Low | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 174.7 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | V316 V317 L324 | V316-S320 WeakPolarHBondContact O-CB 3.31Å; V316-S320 PolarHBondContact O-N 2.9Å; V316-S320 PolarHBondContact O-OG 3.21Å; V317-S320 PolarHBondContact O-N 2.88Å; S320-L324 VanDerWaalsContact O-CB 3.26Å; S320-L324 WeakPolarHBondContact O-CB 3.25Å; S320-L324 PolarHBondContact O-N 3.27Å |
| 321 | A | 67.8 | Low | 68.5 | Low | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I308 V317 I318 S319 L324 C325 L370 | I308-A321 HydrophobicContact CD1-CB 3.97Å; I308-A321 HydrophobicContact CG1-CB 4.38Å; V317-A321 VanDerWaalsContact O-CB 3.29Å; V317-A321 WeakPolarHBondContact O-CB 3.45Å; V317-A321 PolarHBondContact O-N 3.09Å; I318-A321 PolarHBondContact O-N 3.14Å; S319-A321 VanDerWaalsContact C-N 3.29Å; S319-A321 PolarHBondContact O-N 3.34Å; A321-L324 PolarHBondContact O-N 3.47Å; A321-C325 PolarHBondContact O-N 3.28Å; A321-C325 PolarHBondContact O-SG 3.44Å; A321-L370 HydrophobicContact CB-CD1 3.57Å; A321-L370 HydrophobicContact CB-CD2 4.28Å |
| 322 | K | 68 | Low | 68.5 | Low | 118 Ų | 118 | 56.7 Ų | 56.7 | 51% | 0.513 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 174.9 | -73.6 | -178.7 | 178.2 | -173 | 0 | 111.8 | I318 S319 L324 C325 E326 | I318-K322 WeakPolarHBondContact O-CG 3.49Å; I318-K322 PolarHBondContact O-N 2.84Å; S319-K322 PolarHBondContact O-N 3.27Å; K322-L324 VanDerWaalsContact C-N 3.28Å; K322-L324 PolarHBondContact O-N 3.04Å; K322-C325 WeakPolarHBondContact O-CB 3.36Å; K322-C325 PolarHBondContact O-N 2.86Å; K322-E326 PolarHBondContact O-N 2.81Å |
| 323 | I | 75.2 | Confident | 69.4 | Low | 72 Ų | 72 | 51.5 Ų | 51.5 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -39.5 | 177.8 | -62.4 | 163.8 | 0 | 0 | 0 | 111 | S319 E326 T327 | S319-I323 WeakPolarHBondContact O-CG1 3.29Å; S319-I323 PolarHBondContact O-N 3.13Å; S319-I323 VanDerWaalsContact O-N 3.13Å; I323-E326 PolarHBondContact O-N 3.19Å; I323-T327 WeakPolarHBondContact O-CB 3.39Å; I323-T327 PolarHBondContact O-N 2.96Å; I323-T327 PolarHBondContact O-OG1 2.82Å |
| 324 | L | 73.1 | Confident | 69.8 | Low | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 173.3 | 177.9 | 64.6 | 0 | 0 | 0 | 112.1 | V301 H304 L305 I308 S320 A321 K322 T327 V328 L427 | V301-L324 HydrophobicContact CB-CD1 4.14Å; V301-L324 HydrophobicContact CG1-CD1 3.99Å; V301-L324 HydrophobicContact CG2-CD1 3.97Å; H304-L324 HydrophobicContact CB-CB 4.12Å; H304-L324 HydrophobicContact CB-CD1 4.45Å; L305-L324 HydrophobicContact CD2-CD2 3.62Å; L305-L324 HydrophobicContact CG-CD1 4.34Å; L305-L324 HydrophobicContact CG-CD2 3.81Å; I308-L324 HydrophobicContact CD1-CB 4.42Å; I308-L324 HydrophobicContact CD1-CD2 3.61Å; S320-L324 VanDerWaalsContact O-CB 3.26Å; S320-L324 WeakPolarHBondContact O-CB 3.25Å; S320-L324 PolarHBondContact O-N 3.27Å; A321-L324 PolarHBondContact O-N 3.47Å; K322-L324 VanDerWaalsContact C-N 3.28Å; K322-L324 PolarHBondContact O-N 3.04Å; L324-T327 PolarHBondContact O-N 3.35Å; L324-V328 HydrophobicContact CD1-CG2 4.13Å; L324-V328 WeakPolarHBondContact O-CB 3.18Å; L324-V328 VanDerWaalsContact O-CG2 3.26Å; L324-V328 WeakPolarHBondContact O-CG2 3.11Å; L324-V328 PolarHBondContact O-N 3.29Å; L324-L427 HydrophobicContact CD2-CD2 4.34Å |
| 325 | C | 66 | Low | 70.3 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.054 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -39.6 | 178.8 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | A321 K322 V328 K329 L363 L367 | A321-C325 PolarHBondContact O-N 3.28Å; A321-C325 PolarHBondContact O-SG 3.44Å; K322-C325 WeakPolarHBondContact O-CB 3.36Å; K322-C325 PolarHBondContact O-N 2.86Å; C325-V328 PolarHBondContact O-N 3.44Å; C325-K329 WeakPolarHBondContact O-CB 3.31Å; C325-K329 WeakPolarHBondContact O-CG 3.33Å; C325-K329 PolarHBondContact O-N 3.06Å; C325-L363 HydrophobicContact CB-CD1 4.17Å; C325-L363 HydrophobicContact CB-CD2 4.36Å; C325-L363 HydrophobicContact CB-CG 4.35Å; C325-L363 WeakPolarHBondContact SG-CD1 3.48Å; C325-L367 HydrophobicContact CB-CD1 4.23Å; C325-L367 HydrophobicContact CB-CD2 4.39Å |
| 326 | E | 72.8 | Confident | 70.3 | Confident | 129 Ų | 129 | 43.1 Ų | 43.1 | 60% | 0.603 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.9 | -47.1 | 173.7 | -71 | 162.7 | -175.7 | 0 | 0 | 111 | K322 I323 V328 K329 D330 | K322-E326 PolarHBondContact O-N 2.81Å; I323-E326 PolarHBondContact O-N 3.19Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 3.3Å; E326-K329 PolarHBondContact O-N 3.36Å; E326-D330 WeakPolarHBondContact O-CB 3.39Å; E326-D330 PolarHBondContact O-N 2.94Å |
| 327 | T | 75.5 | Confident | 70 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 14% | 0.135 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 176.1 | -56 | 0 | 0 | 0 | 0 | 112.1 | Y297 V301 I323 L324 F331 | Y297-T327 HydrophobicContact CD1-CG2 3.95Å; V301-T327 HydrophobicContact CG2-CG2 4.05Å; I323-T327 WeakPolarHBondContact O-CB 3.39Å; I323-T327 PolarHBondContact O-N 2.96Å; I323-T327 PolarHBondContact O-OG1 2.82Å; L324-T327 PolarHBondContact O-N 3.35Å; T327-F331 WeakPolarHBondContact O-CB 3.42Å; T327-F331 PolarHBondContact O-N 2.86Å |
| 328 | V | 71.9 | Confident | 69.7 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73 | -38.1 | 179.2 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | V301 L324 C325 E326 F331 I332 L359 L363 V431 | V301-V328 HydrophobicContact CG2-CG2 4.22Å; L324-V328 HydrophobicContact CD1-CG2 4.13Å; L324-V328 WeakPolarHBondContact O-CB 3.18Å; L324-V328 VanDerWaalsContact O-CG2 3.26Å; L324-V328 WeakPolarHBondContact O-CG2 3.11Å; L324-V328 PolarHBondContact O-N 3.29Å; C325-V328 PolarHBondContact O-N 3.44Å; E326-V328 VanDerWaalsContact C-N 3.33Å; E326-V328 PolarHBondContact O-N 3.3Å; V328-F331 PolarHBondContact O-N 2.97Å; V328-I332 HydrophobicContact CG1-CD1 3.86Å; V328-I332 HydrophobicContact CG1-CG1 4.43Å; V328-I332 VanDerWaalsContact O-CG1 3.26Å; V328-I332 WeakPolarHBondContact O-CG1 3.48Å; V328-I332 PolarHBondContact O-N 3.21Å; V328-L359 HydrophobicContact CG1-CD2 4Å; V328-L359 HydrophobicContact CG1-CG 4.25Å; V328-L363 HydrophobicContact CB-CD2 4.11Å; V328-L363 HydrophobicContact CG1-CD1 4.47Å; V328-L363 HydrophobicContact CG1-CD2 3.86Å; V328-V431 HydrophobicContact CG2-CG2 4.3Å |
| 329 | K | 70.8 | Confident | 69.5 | Low | 85 Ų | 85 | 48.1 Ų | 48.1 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 177 | -72.2 | -173.7 | -178.7 | -166.3 | 0 | 112.1 | C325 E326 I332 A333 L363 D364 | C325-K329 WeakPolarHBondContact O-CB 3.31Å; C325-K329 WeakPolarHBondContact O-CG 3.33Å; C325-K329 PolarHBondContact O-N 3.06Å; E326-K329 PolarHBondContact O-N 3.36Å; K329-I332 PolarHBondContact O-N 2.95Å; K329-A333 WeakPolarHBondContact O-CB 3.38Å; K329-A333 PolarHBondContact O-N 3.32Å; K329-L363 HydrophobicContact CD-CD2 4.24Å; K329-L363 HydrophobicContact CG-CD2 3.72Å; K329-D364 IonicContact NZ-OD1 2.67Å; K329-D364 PolarHBondContact NZ-OD1 2.89Å; K329-D364 IonicContact NZ-OD2 2.78Å |
| 330 | D | 73.5 | Confident | 68.8 | Low | 64 Ų | 64 | 52.5 Ų | 52.5 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 171.7 | 178.8 | 57.5 | 0 | 0 | 0 | 112.3 | Y297 E326 A333 K334 | Y297-D330 WeakPolarHBondContact CE1-OD2 3.43Å; Y297-D330 PolarHBondContact OH-OD2 3.19Å; Y297-D330 VanDerWaalsContact OH-OD2 3.08Å; E326-D330 WeakPolarHBondContact O-CB 3.39Å; E326-D330 PolarHBondContact O-N 2.94Å; D330-A333 PolarHBondContact O-N 3.42Å; D330-K334 WeakPolarHBondContact O-CG 3.48Å; D330-K334 PolarHBondContact O-N 3.3Å; D330-K334 VanDerWaalsContact OD1-CE 3.3Å; D330-K334 WeakPolarHBondContact OD1-CE 3.4Å; D330-K334 IonicContact OD1-NZ 3.6Å; D330-K334 PolarHBondContact OD1-NZ 3.24Å; D330-K334 IonicContact OD2-NZ 2.64Å; D330-K334 PolarHBondContact OD2-NZ 2.69Å |
| 331 | F | 73.1 | Confident | 67.8 | Low | 14 Ų | 14 | 61.3 Ų | 61.3 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 173.7 | 178.2 | -104.4 | 0 | 0 | 0 | 112.3 | I294 Y297 T327 V328 A333 K334 V335 I434 I435 | I294-F331 HydrophobicContact CG2-CE2 4.43Å; Y297-F331 HydrophobicContact CD1-CB 3.92Å; Y297-F331 HydrophobicContact CD1-CD2 4.12Å; Y297-F331 HydrophobicContact CD1-CG 4.45Å; Y297-F331 HydrophobicContact CD2-CD2 4.35Å; Y297-F331 HydrophobicContact CE1-CB 4.28Å; Y297-F331 AromaticContact CG-CD2 3.92Å; Y297-F331 HydrophobicContact CG-CD2 3.92Å; T327-F331 WeakPolarHBondContact O-CB 3.42Å; T327-F331 PolarHBondContact O-N 2.86Å; V328-F331 PolarHBondContact O-N 2.97Å; F331-A333 VanDerWaalsContact C-N 3.35Å; F331-A333 PolarHBondContact O-N 3.32Å; F331-K334 PolarHBondContact O-N 2.65Å; F331-V335 HydrophobicContact CD1-CG2 4.35Å; F331-V335 HydrophobicContact CD2-CG2 4.27Å; F331-V335 HydrophobicContact CE1-CG2 3.98Å; F331-V335 HydrophobicContact CE2-CG2 3.87Å; F331-V335 HydrophobicContact CG-CG2 4.49Å; F331-V335 HydrophobicContact CZ-CG2 3.72Å; F331-V335 WeakPolarHBondContact O-CG2 3.36Å; F331-V335 PolarHBondContact O-N 2.86Å; F331-I434 HydrophobicContact CE1-CG2 4.01Å; F331-I435 HydrophobicContact CE1-CG1 4.38Å; F331-I435 HydrophobicContact CZ-CG1 3.99Å |
| 332 | I | 71.8 | Confident | 67.1 | Low | 21 Ų | 21 | 63.4 Ų | 63.4 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 177.2 | -66 | 163.6 | 0 | 0 | 0 | 111 | V328 K329 K334 V335 G336 C356 L359 N360 | V328-I332 HydrophobicContact CG1-CD1 3.86Å; V328-I332 HydrophobicContact CG1-CG1 4.43Å; V328-I332 VanDerWaalsContact O-CG1 3.26Å; V328-I332 WeakPolarHBondContact O-CG1 3.48Å; V328-I332 PolarHBondContact O-N 3.21Å; K329-I332 PolarHBondContact O-N 2.95Å; I332-K334 VanDerWaalsContact C-N 3.27Å; I332-K334 PolarHBondContact O-N 3.41Å; I332-V335 PolarHBondContact O-N 2.78Å; I332-G336 PolarHBondContact O-N 3.37Å; I332-C356 HydrophobicContact CG2-CB 4.15Å; I332-L359 HydrophobicContact CD1-CB 4.43Å; I332-L359 HydrophobicContact CD1-CD2 3.66Å; I332-L359 HydrophobicContact CD1-CG 3.9Å; I332-L359 HydrophobicContact CG1-CD2 3.85Å; I332-N360 WeakPolarHBondContact CD1-OD1 3.41Å |
| 333 | A | 69.2 | Low | 66.1 | Low | 54 Ų | 54 | 63.7 Ų | 63.7 | 45% | 0.446 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.3 | -30.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K329 D330 F331 K337 | K329-A333 WeakPolarHBondContact O-CB 3.38Å; K329-A333 PolarHBondContact O-N 3.32Å; D330-A333 PolarHBondContact O-N 3.42Å; F331-A333 VanDerWaalsContact C-N 3.35Å; F331-A333 PolarHBondContact O-N 3.32Å; A333-K337 WeakPolarHBondContact O-CG 3.27Å |
| 334 | K | 68.5 | Low | 64.9 | Low | 96 Ų | 96 | 69.2 Ų | 69.2 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -80.3 | -40.4 | 175.4 | -77.4 | 162.4 | 171.5 | 152 | 0 | 112.7 | Y297 D330 F331 I332 A338 | Y297-K334 WeakPolarHBondContact OH-CD 3.32Å; Y297-K334 PolarHBondContact OH-NZ 2.97Å; D330-K334 WeakPolarHBondContact O-CG 3.48Å; D330-K334 PolarHBondContact O-N 3.3Å; D330-K334 VanDerWaalsContact OD1-CE 3.3Å; D330-K334 WeakPolarHBondContact OD1-CE 3.4Å; D330-K334 IonicContact OD1-NZ 3.6Å; D330-K334 PolarHBondContact OD1-NZ 3.24Å; D330-K334 IonicContact OD2-NZ 2.64Å; D330-K334 PolarHBondContact OD2-NZ 2.69Å; F331-K334 PolarHBondContact O-N 2.65Å; I332-K334 VanDerWaalsContact C-N 3.27Å; I332-K334 PolarHBondContact O-N 3.41Å; K334-A338 PolarHBondContact O-N 2.97Å |
| 335 | V | 68 | Low | 64.1 | Low | 12 Ų | 12 | 73.9 Ų | 73.9 | 7% | 0.073 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | 174.6 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | F331 I332 K337 A338 Y339 | F331-V335 HydrophobicContact CD1-CG2 4.35Å; F331-V335 HydrophobicContact CD2-CG2 4.27Å; F331-V335 HydrophobicContact CE1-CG2 3.98Å; F331-V335 HydrophobicContact CE2-CG2 3.87Å; F331-V335 HydrophobicContact CG-CG2 4.49Å; F331-V335 HydrophobicContact CZ-CG2 3.72Å; F331-V335 WeakPolarHBondContact O-CG2 3.36Å; F331-V335 PolarHBondContact O-N 2.86Å; I332-V335 PolarHBondContact O-N 2.78Å; V335-K337 PolarHBondContact O-N 2.75Å; V335-A338 WeakPolarHBondContact O-CB 3.5Å; V335-A338 PolarHBondContact O-N 2.97Å; V335-A338 VanDerWaalsContact O-N 3.1Å; V335-Y339 HydrophobicContact CG1-CD2 4.01Å; V335-Y339 HydrophobicContact CG1-CE2 4.05Å; V335-Y339 WeakPolarHBondContact O-CD2 3.24Å; V335-Y339 PolarHBondContact O-N 2.88Å |
| 336 | G | 63.5 | Low | 63.6 | Low | 33 Ų | 33 | 78.7 Ų | 78.7 | 34% | 0.34 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -56.5 | -49.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I332 A338 Y339 E340 | I332-G336 PolarHBondContact O-N 3.37Å; G336-A338 PolarHBondContact O-N 3.34Å; G336-Y339 PolarHBondContact O-N 3.36Å; G336-E340 PolarHBondContact O-N 3.29Å |
| 337 | K | 64 | Low | 63 | Low | 151 Ų | 151 | 80.8 Ų | 80.8 | 66% | 0.657 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.6 | -20.9 | 176.7 | -74.3 | -179.4 | 175 | -172.5 | 0 | 114.8 | A333 V335 | A333-K337 WeakPolarHBondContact O-CG 3.27Å; V335-K337 PolarHBondContact O-N 2.75Å |
| 338 | A | 61.6 | Low | 62.3 | Low | 33 Ų | 33 | 83.4 Ų | 83.4 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -75.9 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F292 K334 V335 G336 K341 | F292-A338 HydrophobicContact CE1-CB 4.36Å; F292-A338 HydrophobicContact CZ-CB 3.92Å; K334-A338 PolarHBondContact O-N 2.97Å; V335-A338 WeakPolarHBondContact O-CB 3.5Å; V335-A338 PolarHBondContact O-N 2.97Å; V335-A338 VanDerWaalsContact O-N 3.1Å; G336-A338 PolarHBondContact O-N 3.34Å; A338-K341 PolarHBondContact O-N 3.3Å |
| 339 | Y | 60 | Low | 61.7 | Low | 32 Ų | 32 | 85.7 Ų | 85.7 | 13% | 0.125 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -70 | -29.7 | 178.6 | -82.9 | -91 | 0 | 0 | 0 | 113.3 | V335 G336 K341 S342 M352 V441 | V335-Y339 HydrophobicContact CG1-CD2 4.01Å; V335-Y339 HydrophobicContact CG1-CE2 4.05Å; V335-Y339 WeakPolarHBondContact O-CD2 3.24Å; V335-Y339 PolarHBondContact O-N 2.88Å; G336-Y339 PolarHBondContact O-N 3.36Å; Y339-K341 PolarHBondContact O-N 3.29Å; Y339-S342 PolarHBondContact O-N 3.45Å; Y339-S342 VanDerWaalsContact O-N 3.12Å; Y339-S342 PolarHBondContact O-OG 3.38Å; Y339-S342 VanDerWaalsContact O-OG 3.09Å; Y339-M352 HydrophobicContact CD2-CG 4.14Å; Y339-M352 HydrophobicContact CE2-CE 3.7Å; Y339-M352 HydrophobicContact CE2-CG 4Å; Y339-M352 VanDerWaalsContact OH-CE 3.29Å; Y339-M352 WeakPolarHBondContact OH-CE 3.4Å; Y339-V441 WeakPolarHBondContact OH-CG2 3.32Å |
| 340 | E | 54.5 | Low | 61.3 | Low | 148 Ų | 148 | 86.5 Ų | 86.5 | 69% | 0.692 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.6 | 171.5 | -74.4 | 177.3 | 152 | 0 | 0 | 113.6 | G336 | G336-E340 PolarHBondContact O-N 3.29Š|
| 341 | K | 55.1 | Low | 61.1 | Low | 190 Ų | 190 | 85.8 Ų | 85.8 | 83% | 0.826 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -17.8 | 174.2 | -85.8 | -168.7 | 169.5 | -168.3 | 0 | 114.3 | A338 Y339 T343 | A338-K341 PolarHBondContact O-N 3.3Å; Y339-K341 PolarHBondContact O-N 3.29Å; K341-T343 PolarHBondContact O-N 3.06Å |
| 342 | S | 52.6 | Low | 60.9 | Low | 46 Ų | 46 | 85.5 Ų | 85.5 | 32% | 0.322 | 46% | 0.455 | S | S | . | . | trans | -99.3 | 65.6 | -174.2 | 60 | 0 | 0 | 0 | 0 | 111.9 | Y339 E344 | Y339-S342 PolarHBondContact O-N 3.45Å; Y339-S342 VanDerWaalsContact O-N 3.12Å; Y339-S342 PolarHBondContact O-OG 3.38Å; Y339-S342 VanDerWaalsContact O-OG 3.09Å; S342-E344 PolarHBondContact O-N 3.38Å | ||
| 343 | T | 46.7 | Very low | 60.6 | Low | 125 Ų | 125 | 87.6 Ų | 87.6 | 77% | 0.767 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | 75.3 | -176.4 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | K341 | K341-T343 PolarHBondContact O-N 3.06Š|
| 344 | E | 51.2 | Low | 60.9 | Low | 187 Ų | 187 | 90.3 Ų | 90.3 | 87% | 0.874 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.1 | -37 | 164.7 | -117.9 | 162 | -143.7 | 0 | 0 | 113.9 | S342 | S342-E344 PolarHBondContact O-N 3.38Š|
| 345 | N | 54.8 | Low | 61.1 | Low | 101 Ų | 101 | 89.1 Ų | 89.1 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | trans | -99.7 | 90.7 | 175.2 | -82.3 | -2.9 | 0 | 0 | 0 | 113.2 | E348 C349 | N345-E348 HydrophobicContact CB-CB 4.19Å; N345-E348 HydrophobicContact CB-CG 4.3Å; N345-E348 PolarHBondContact ND2-OE2 3.25Å; N345-C349 PolarHBondContact O-N 2.93Å | ||
| 346 | V | 57.3 | Low | 61.2 | Low | 108 Ų | 108 | 89.2 Ų | 89.2 | 66% | 0.655 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.5 | -47.4 | 179.5 | -177.9 | 0 | 0 | 0 | 0 | 112.4 | E348 C349 D350 | V346-E348 VanDerWaalsContact C-N 3.27Å; V346-E348 PolarHBondContact O-N 2.78Å; V346-C349 WeakPolarHBondContact O-CB 3.19Å; V346-C349 PolarHBondContact O-N 2.93Å; V346-C349 VanDerWaalsContact O-N 3.16Å; V346-D350 PolarHBondContact O-N 3.41Å |
| 347 | E | 59.2 | Low | 61.7 | Low | 174 Ų | 174 | 90.2 Ų | 90.2 | 81% | 0.813 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.3 | -31.7 | -175.7 | -61.3 | -168.1 | 157.9 | 0 | 0 | 113.1 | S351 | E347-S351 VanDerWaalsContact O-CB 3.29Å; E347-S351 WeakPolarHBondContact O-CB 3.26Å; E347-S351 PolarHBondContact O-N 2.96Å |
| 348 | E | 60.3 | Low | 62.3 | Low | 77 Ų | 77 | 86.1 Ų | 86.1 | 36% | 0.36 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -77.4 | -35.1 | 176.7 | -65.7 | -159.5 | 98.8 | 0 | 0 | 112.6 | N345 V346 S351 M352 | N345-E348 HydrophobicContact CB-CB 4.19Å; N345-E348 HydrophobicContact CB-CG 4.3Å; N345-E348 PolarHBondContact ND2-OE2 3.25Å; V346-E348 VanDerWaalsContact C-N 3.27Å; V346-E348 PolarHBondContact O-N 2.78Å; E348-S351 CarbonylContact O-C 3.47Å; E348-S351 WeakPolarHBondContact O-CB 3.42Å; E348-S351 PolarHBondContact O-N 3.22Å; E348-M352 WeakPolarHBondContact O-CB 3.35Å; E348-M352 PolarHBondContact O-N 3.33Å |
| 349 | C | 59.4 | Low | 62.8 | Low | 49 Ų | 49 | 84.6 Ų | 84.6 | 33% | 0.331 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 172 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | N345 V346 M352 S353 | N345-C349 PolarHBondContact O-N 2.93Å; V346-C349 WeakPolarHBondContact O-CB 3.19Å; V346-C349 PolarHBondContact O-N 2.93Å; V346-C349 VanDerWaalsContact O-N 3.16Å; C349-M352 PolarHBondContact O-N 3.04Å; C349-S353 WeakPolarHBondContact O-CB 3.34Å; C349-S353 PolarHBondContact O-N 3.4Å |
| 350 | D | 62.7 | Low | 63.3 | Low | 101 Ų | 101 | 85.4 Ų | 85.4 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66 | -36.8 | 174.2 | -78.4 | -21.4 | 0 | 0 | 0 | 112.4 | V346 M352 S353 L354 | V346-D350 PolarHBondContact O-N 3.41Å; D350-M352 VanDerWaalsContact C-N 3.29Å; D350-M352 PolarHBondContact O-N 3.1Å; D350-S353 PolarHBondContact O-OG 3.49Å; D350-S353 VanDerWaalsContact O-OG 3.11Å; D350-L354 VanDerWaalsContact O-CB 3.31Å; D350-L354 WeakPolarHBondContact O-CB 3.38Å; D350-L354 PolarHBondContact O-N 3.09Å; D350-L354 VanDerWaalsContact O-N 3.09Å |
| 351 | S | 69.5 | Low | 64.4 | Low | 50 Ų | 50 | 85 Ų | 85 | 35% | 0.35 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -34.6 | 172.7 | -159 | 0 | 0 | 0 | 0 | 112.4 | E347 E348 K355 | E347-S351 VanDerWaalsContact O-CB 3.29Å; E347-S351 WeakPolarHBondContact O-CB 3.26Å; E347-S351 PolarHBondContact O-N 2.96Å; E348-S351 CarbonylContact O-C 3.47Å; E348-S351 WeakPolarHBondContact O-CB 3.42Å; E348-S351 PolarHBondContact O-N 3.22Å; S351-K355 WeakPolarHBondContact O-CD 3.12Å; S351-K355 WeakPolarHBondContact O-CE 3.45Å; S351-K355 WeakPolarHBondContact O-CG 3.3Å; S351-K355 PolarHBondContact O-N 3.42Å; S351-K355 PolarHBondContact O-NZ 3.45Å; S351-K355 PolarHBondContact OG-NZ 2.9Å |
| 352 | M | 67.9 | Low | 65.4 | Low | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.039 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -79 | -42.7 | 177.8 | -173.6 | 60.5 | 86.4 | 0 | 0 | 111.9 | Y339 E348 C349 D350 L354 K355 C356 I434 Q437 | Y339-M352 HydrophobicContact CD2-CG 4.14Å; Y339-M352 HydrophobicContact CE2-CE 3.7Å; Y339-M352 HydrophobicContact CE2-CG 4Å; Y339-M352 VanDerWaalsContact OH-CE 3.29Å; Y339-M352 WeakPolarHBondContact OH-CE 3.4Å; E348-M352 WeakPolarHBondContact O-CB 3.35Å; E348-M352 PolarHBondContact O-N 3.33Å; C349-M352 PolarHBondContact O-N 3.04Å; D350-M352 VanDerWaalsContact C-N 3.29Å; D350-M352 PolarHBondContact O-N 3.1Å; M352-L354 VanDerWaalsContact C-N 3.32Å; M352-L354 PolarHBondContact O-N 2.91Å; M352-K355 PolarHBondContact O-N 3.36Å; M352-K355 VanDerWaalsContact O-N 3.14Å; M352-C356 PolarHBondContact O-N 2.91Å; M352-C356 PolarHBondContact O-SG 3.16Å; M352-C356 VanDerWaalsContact O-SG 3.41Å; M352-I434 HydrophobicContact SD-CG2 4.21Å; M352-Q437 HydrophobicContact CE-CB 4Å; M352-Q437 HydrophobicContact CE-CG 3.58Å |
| 353 | S | 66.9 | Low | 66.3 | Low | 64 Ų | 64 | 76.8 Ų | 76.8 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 178 | 74.9 | 0 | 0 | 0 | 0 | 111.2 | C349 D350 K355 C356 A357 | C349-S353 WeakPolarHBondContact O-CB 3.34Å; C349-S353 PolarHBondContact O-N 3.4Å; D350-S353 PolarHBondContact O-OG 3.49Å; D350-S353 VanDerWaalsContact O-OG 3.11Å; S353-K355 PolarHBondContact O-N 3Å; S353-C356 PolarHBondContact O-N 3.13Å; S353-A357 WeakPolarHBondContact O-CB 3.25Å; S353-A357 PolarHBondContact O-N 3.02Å |
| 354 | L | 74.8 | Confident | 67.5 | Low | 111 Ų | 111 | 73.8 Ų | 73.8 | 58% | 0.581 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 173.8 | -176.8 | 63 | 0 | 0 | 0 | 112.5 | D350 M352 A357 I358 | D350-L354 VanDerWaalsContact O-CB 3.31Å; D350-L354 WeakPolarHBondContact O-CB 3.38Å; D350-L354 PolarHBondContact O-N 3.09Å; D350-L354 VanDerWaalsContact O-N 3.09Å; M352-L354 VanDerWaalsContact C-N 3.32Å; M352-L354 PolarHBondContact O-N 2.91Å; L354-A357 PolarHBondContact O-N 2.9Å; L354-I358 HydrophobicContact CD1-CD1 4.41Å; L354-I358 HydrophobicContact CG-CD1 4.16Å; L354-I358 WeakPolarHBondContact O-CD1 3.48Å; L354-I358 VanDerWaalsContact O-CG1 3.29Å; L354-I358 WeakPolarHBondContact O-CG1 3.47Å; L354-I358 PolarHBondContact O-N 3.46Å |
| 355 | K | 73.6 | Confident | 68.7 | Low | 72 Ų | 72 | 66.8 Ų | 66.8 | 31% | 0.313 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.6 | -71.4 | 160.9 | -167.4 | 143.6 | 0 | 111.5 | S351 M352 S353 I358 L359 I434 | S351-K355 WeakPolarHBondContact O-CD 3.12Å; S351-K355 WeakPolarHBondContact O-CE 3.45Å; S351-K355 WeakPolarHBondContact O-CG 3.3Å; S351-K355 PolarHBondContact O-N 3.42Å; S351-K355 PolarHBondContact O-NZ 3.45Å; S351-K355 PolarHBondContact OG-NZ 2.9Å; M352-K355 PolarHBondContact O-N 3.36Å; M352-K355 VanDerWaalsContact O-N 3.14Å; S353-K355 PolarHBondContact O-N 3Å; K355-I358 PolarHBondContact O-N 3.43Å; K355-L359 WeakPolarHBondContact O-CB 3.43Å; K355-L359 PolarHBondContact O-N 3.41Å; K355-I434 HydrophobicContact CB-CD1 4.2Å; K355-I434 HydrophobicContact CB-CG1 4.07Å |
| 356 | C | 69.7 | Low | 69.5 | Low | 14 Ų | 14 | 62.1 Ų | 62.1 | 10% | 0.095 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 175.7 | -71.9 | 0 | 0 | 0 | 0 | 112.5 | I332 M352 S353 L359 N360 | I332-C356 HydrophobicContact CG2-CB 4.15Å; M352-C356 PolarHBondContact O-N 2.91Å; M352-C356 PolarHBondContact O-SG 3.16Å; M352-C356 VanDerWaalsContact O-SG 3.41Å; S353-C356 PolarHBondContact O-N 3.13Å; C356-L359 PolarHBondContact O-N 3.32Å; C356-N360 PolarHBondContact O-N 3.05Å; C356-N360 PolarHBondContact O-ND2 2.83Å |
| 357 | A | 73.3 | Confident | 70 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S353 L354 L359 N360 E361 | S353-A357 WeakPolarHBondContact O-CB 3.25Å; S353-A357 PolarHBondContact O-N 3.02Å; L354-A357 PolarHBondContact O-N 2.9Å; A357-L359 VanDerWaalsContact C-N 3.25Å; A357-L359 PolarHBondContact O-N 3.49Å; A357-N360 PolarHBondContact O-N 2.99Å; A357-E361 PolarHBondContact O-N 3.39Å |
| 358 | I | 76.3 | Confident | 70.6 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 33% | 0.333 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.4 | -33.2 | 175.4 | -67.5 | 163.5 | 0 | 0 | 0 | 111.7 | L354 K355 K362 | L354-I358 HydrophobicContact CD1-CD1 4.41Å; L354-I358 HydrophobicContact CG-CD1 4.16Å; L354-I358 WeakPolarHBondContact O-CD1 3.48Å; L354-I358 VanDerWaalsContact O-CG1 3.29Å; L354-I358 WeakPolarHBondContact O-CG1 3.47Å; L354-I358 PolarHBondContact O-N 3.46Å; K355-I358 PolarHBondContact O-N 3.43Å; I358-K362 HydrophobicContact CG2-CD 4.22Å; I358-K362 WeakPolarHBondContact O-CB 3.32Å; I358-K362 VanDerWaalsContact O-CG 3.3Å; I358-K362 WeakPolarHBondContact O-CG 3.44Å; I358-K362 PolarHBondContact O-N 3.13Å; I358-K362 VanDerWaalsContact O-N 3.16Å |
| 359 | L | 73.2 | Confident | 71.2 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 175 | 179.2 | 59.8 | 0 | 0 | 0 | 111.7 | V328 I332 K355 C356 A357 K362 L363 L427 A430 V431 I434 | V328-L359 HydrophobicContact CG1-CD2 4Å; V328-L359 HydrophobicContact CG1-CG 4.25Å; I332-L359 HydrophobicContact CD1-CB 4.43Å; I332-L359 HydrophobicContact CD1-CD2 3.66Å; I332-L359 HydrophobicContact CD1-CG 3.9Å; I332-L359 HydrophobicContact CG1-CD2 3.85Å; K355-L359 WeakPolarHBondContact O-CB 3.43Å; K355-L359 PolarHBondContact O-N 3.41Å; C356-L359 PolarHBondContact O-N 3.32Å; A357-L359 VanDerWaalsContact C-N 3.25Å; A357-L359 PolarHBondContact O-N 3.49Å; L359-K362 PolarHBondContact O-N 2.9Å; L359-L363 WeakPolarHBondContact O-CB 3.29Å; L359-L363 PolarHBondContact O-N 2.6Å; L359-L427 HydrophobicContact CD1-CD1 3.55Å; L359-A430 HydrophobicContact CD1-CB 3.81Å; L359-V431 HydrophobicContact CD1-CG2 3.62Å; L359-V431 HydrophobicContact CD2-CG2 4.26Å; L359-I434 HydrophobicContact CB-CD1 3.74Å; L359-I434 HydrophobicContact CD2-CD1 3.57Å; L359-I434 HydrophobicContact CG-CD1 4.21Å |
| 360 | N | 70.7 | Confident | 71.5 | Confident | 49 Ų | 49 | 51.9 Ų | 51.9 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175 | -83.6 | -42.8 | 0 | 0 | 0 | 112 | I332 C356 A357 K362 L363 D364 | I332-N360 WeakPolarHBondContact CD1-OD1 3.41Å; C356-N360 PolarHBondContact O-N 3.05Å; C356-N360 PolarHBondContact O-ND2 2.83Å; A357-N360 PolarHBondContact O-N 2.99Å; N360-K362 VanDerWaalsContact C-N 3.32Å; N360-K362 PolarHBondContact O-N 3.24Å; N360-L363 WeakPolarHBondContact O-CB 3.33Å; N360-L363 PolarHBondContact O-N 3.44Å; N360-L363 VanDerWaalsContact O-N 3.09Å; N360-D364 PolarHBondContact O-N 2.82Å |
| 361 | E | 77.1 | Confident | 71.6 | Confident | 138 Ų | 138 | 51.3 Ų | 51.3 | 65% | 0.645 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -56.5 | -45.1 | 175.8 | -169.2 | -158.6 | 159.6 | 0 | 0 | 111.6 | A357 L363 S365 | A357-E361 PolarHBondContact O-N 3.39Å; E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3.06Å; E361-S365 WeakPolarHBondContact O-CB 3.38Å; E361-S365 PolarHBondContact O-N 3.09Å |
| 362 | K | 76.3 | Confident | 71.4 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68 | -32.6 | 176.5 | -73.6 | 174.4 | -177.4 | -179.5 | 0 | 113.1 | I358 L359 N360 L366 L427 A430 | I358-K362 HydrophobicContact CG2-CD 4.22Å; I358-K362 WeakPolarHBondContact O-CB 3.32Å; I358-K362 VanDerWaalsContact O-CG 3.3Å; I358-K362 WeakPolarHBondContact O-CG 3.44Å; I358-K362 PolarHBondContact O-N 3.13Å; I358-K362 VanDerWaalsContact O-N 3.16Å; L359-K362 PolarHBondContact O-N 2.9Å; N360-K362 VanDerWaalsContact C-N 3.32Å; N360-K362 PolarHBondContact O-N 3.24Å; K362-L366 PolarHBondContact O-N 3.21Å; K362-L366 VanDerWaalsContact O-N 3.13Å; K362-L427 HydrophobicContact CB-CD1 4.35Å; K362-A430 HydrophobicContact CD-CB 3.95Å |
| 363 | L | 72.3 | Confident | 71.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.2 | -47.1 | 177.2 | -168.8 | 65.8 | 0 | 0 | 0 | 111.1 | C325 V328 K329 L359 N360 E361 S365 L366 L367 L427 | C325-L363 HydrophobicContact CB-CD1 4.17Å; C325-L363 HydrophobicContact CB-CD2 4.36Å; C325-L363 HydrophobicContact CB-CG 4.35Å; C325-L363 WeakPolarHBondContact SG-CD1 3.48Å; V328-L363 HydrophobicContact CB-CD2 4.11Å; V328-L363 HydrophobicContact CG1-CD1 4.47Å; V328-L363 HydrophobicContact CG1-CD2 3.86Å; K329-L363 HydrophobicContact CD-CD2 4.24Å; K329-L363 HydrophobicContact CG-CD2 3.72Å; L359-L363 WeakPolarHBondContact O-CB 3.29Å; L359-L363 PolarHBondContact O-N 2.6Å; N360-L363 WeakPolarHBondContact O-CB 3.33Å; N360-L363 PolarHBondContact O-N 3.44Å; N360-L363 VanDerWaalsContact O-N 3.09Å; E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3.06Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.11Å; L363-L366 WeakPolarHBondContact O-CB 3.32Å; L363-L366 PolarHBondContact O-N 3.41Å; L363-L366 VanDerWaalsContact O-N 3.15Å; L363-L367 PolarHBondContact O-N 3.11Å; L363-L427 HydrophobicContact CB-CD1 4.17Å; L363-L427 HydrophobicContact CD1-CD1 3.93Å; L363-L427 HydrophobicContact CD1-CD2 3.61Å; L363-L427 HydrophobicContact CD1-CG 4.43Å |
| 364 | D | 70.6 | Confident | 70.5 | Confident | 62 Ų | 62 | 53.2 Ų | 53.2 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70.5 | -30.7 | 177.9 | -68.5 | -25.3 | 0 | 0 | 0 | 111.4 | K329 N360 L366 L367 Q368 | K329-D364 IonicContact NZ-OD1 2.67Å; K329-D364 PolarHBondContact NZ-OD1 2.89Å; K329-D364 IonicContact NZ-OD2 2.78Å; N360-D364 PolarHBondContact O-N 2.82Å; D364-L366 VanDerWaalsContact C-N 3.33Å; D364-L366 PolarHBondContact O-N 3.36Å; D364-L367 PolarHBondContact O-N 2.98Å; D364-Q368 WeakPolarHBondContact O-CB 3.12Å; D364-Q368 VanDerWaalsContact O-CG 3.3Å; D364-Q368 WeakPolarHBondContact O-CG 3.29Å; D364-Q368 PolarHBondContact O-N 2.89Å |
| 365 | S | 76.6 | Confident | 69.4 | Low | 39 Ų | 39 | 55.9 Ų | 55.9 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -32.3 | 168.8 | -175.8 | 0 | 0 | 0 | 0 | 113.5 | E361 L363 T369 R423 | E361-S365 WeakPolarHBondContact O-CB 3.38Å; E361-S365 PolarHBondContact O-N 3.09Å; L363-S365 VanDerWaalsContact C-N 3.33Å; L363-S365 PolarHBondContact O-N 3.11Å; S365-T369 PolarHBondContact O-N 3.43Å; S365-T369 PolarHBondContact O-OG1 3Å; S365-R423 PolarHBondContact O-NH1 3.12Å; S365-R423 VanDerWaalsContact O-NH1 3.11Å; S365-R423 PolarHBondContact OG-NH1 3.22Å |
| 366 | L | 71 | Confident | 68.2 | Low | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.7 | -43.9 | 171.1 | -176.7 | 64.8 | 0 | 0 | 0 | 110.8 | K362 L363 D364 Q368 T369 L370 L420 R423 L427 | K362-L366 PolarHBondContact O-N 3.21Å; K362-L366 VanDerWaalsContact O-N 3.13Å; L363-L366 WeakPolarHBondContact O-CB 3.32Å; L363-L366 PolarHBondContact O-N 3.41Å; L363-L366 VanDerWaalsContact O-N 3.15Å; D364-L366 VanDerWaalsContact C-N 3.33Å; D364-L366 PolarHBondContact O-N 3.36Å; L366-Q368 PolarHBondContact O-N 3.23Å; L366-T369 WeakPolarHBondContact O-CB 3.4Å; L366-T369 PolarHBondContact O-N 3.16Å; L366-T369 VanDerWaalsContact O-N 3.11Å; L366-L370 HydrophobicContact CG-CD1 4.12Å; L366-L370 PolarHBondContact O-N 3.46Å; L366-L420 HydrophobicContact CD1-CG 4.38Å; L366-R423 HydrophobicContact CD1-CB 3.83Å; L366-L427 HydrophobicContact CD2-CD2 3.72Å |
| 367 | L | 68.4 | Low | 67.2 | Low | 39 Ų | 39 | 62.7 Ų | 62.7 | 20% | 0.204 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.7 | -74.5 | 164.2 | 0 | 0 | 0 | 112.8 | C325 L363 D364 T369 L370 N371 | C325-L367 HydrophobicContact CB-CD1 4.23Å; C325-L367 HydrophobicContact CB-CD2 4.39Å; L363-L367 PolarHBondContact O-N 3.11Å; D364-L367 PolarHBondContact O-N 2.98Å; L367-T369 PolarHBondContact O-N 3.37Å; L367-L370 PolarHBondContact O-N 3.26Å; L367-N371 WeakPolarHBondContact O-CB 3.33Å; L367-N371 VanDerWaalsContact O-CG 3.27Å; L367-N371 PolarHBondContact O-N 2.78Å; L367-N371 PolarHBondContact O-ND2 3.16Å |
| 368 | Q | 73.1 | Confident | 65.4 | Low | 132 Ų | 132 | 65.5 Ų | 65.5 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.1 | -35.9 | 173 | -75.2 | 174.5 | 8 | 0 | 0 | 112.1 | D364 L366 A372 | D364-Q368 WeakPolarHBondContact O-CB 3.12Å; D364-Q368 VanDerWaalsContact O-CG 3.3Å; D364-Q368 WeakPolarHBondContact O-CG 3.29Å; D364-Q368 PolarHBondContact O-N 2.89Å; L366-Q368 PolarHBondContact O-N 3.23Å; Q368-A372 WeakPolarHBondContact O-CB 3.49Å; Q368-A372 PolarHBondContact O-N 2.83Å |
| 369 | T | 71.8 | Confident | 63.6 | Low | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -69.8 | -46.9 | 177.7 | -49.5 | 0 | 0 | 0 | 0 | 111.4 | S365 L366 L367 N371 A372 E373 L420 R423 | S365-T369 PolarHBondContact O-N 3.43Å; S365-T369 PolarHBondContact O-OG1 3Å; L366-T369 WeakPolarHBondContact O-CB 3.4Å; L366-T369 PolarHBondContact O-N 3.16Å; L366-T369 VanDerWaalsContact O-N 3.11Å; L367-T369 PolarHBondContact O-N 3.37Å; T369-N371 VanDerWaalsContact C-N 3.32Å; T369-N371 PolarHBondContact O-N 2.89Å; T369-A372 PolarHBondContact O-N 3.07Å; T369-E373 PolarHBondContact O-N 2.91Å; T369-L420 HydrophobicContact CG2-CD1 4.47Å; T369-R423 WeakPolarHBondContact OG1-CD 3.36Å; T369-R423 PolarHBondContact OG1-NE 3.16Å; T369-R423 PolarHBondContact OG1-NH1 2.97Å; T369-R423 VanDerWaalsContact OG1-NH1 3.09Å |
| 370 | L | 64.9 | Low | 61.8 | Low | 12 Ų | 12 | 76.4 Ų | 76.4 | 6% | 0.063 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 176.2 | -75.7 | 155.1 | 0 | 0 | 0 | 111.8 | I318 A321 L366 L367 E373 C374 L420 | I318-L370 HydrophobicContact CG1-CD2 4.21Å; A321-L370 HydrophobicContact CB-CD1 3.57Å; A321-L370 HydrophobicContact CB-CD2 4.28Å; L366-L370 HydrophobicContact CG-CD1 4.12Å; L366-L370 PolarHBondContact O-N 3.46Å; L367-L370 PolarHBondContact O-N 3.26Å; L370-E373 PolarHBondContact O-N 2.82Å; L370-C374 PolarHBondContact O-N 2.79Å; L370-C374 VanDerWaalsContact O-N 3.09Å; L370-C374 PolarHBondContact O-SG 3.29Å; L370-L420 HydrophobicContact CD2-CD1 3.71Å; L370-L420 HydrophobicContact CG-CD1 3.97Å |
| 371 | N | 65.3 | Low | 60.2 | Low | 89 Ų | 89 | 79 Ų | 79 | 48% | 0.476 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.9 | -36.6 | 177.3 | -70.9 | -23.6 | 0 | 0 | 0 | 112.2 | L367 T369 C374 Q375 | L367-N371 WeakPolarHBondContact O-CB 3.33Å; L367-N371 VanDerWaalsContact O-CG 3.27Å; L367-N371 PolarHBondContact O-N 2.78Å; L367-N371 PolarHBondContact O-ND2 3.16Å; T369-N371 VanDerWaalsContact C-N 3.32Å; T369-N371 PolarHBondContact O-N 2.89Å; N371-C374 WeakPolarHBondContact O-CB 3.32Å; N371-C374 PolarHBondContact O-N 2.92Å; N371-Q375 WeakPolarHBondContact O-CG 3.16Å; N371-Q375 PolarHBondContact O-N 2.86Å |
| 372 | A | 66.3 | Low | 58.1 | Low | 57 Ų | 57 | 80.9 Ų | 80.9 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q368 T369 C374 Q375 S376 | Q368-A372 WeakPolarHBondContact O-CB 3.49Å; Q368-A372 PolarHBondContact O-N 2.83Å; T369-A372 PolarHBondContact O-N 3.07Å; A372-C374 VanDerWaalsContact C-N 3.34Å; A372-C374 PolarHBondContact O-N 3.12Å; A372-Q375 PolarHBondContact O-N 3.19Å; A372-S376 PolarHBondContact O-N 3.03Å |
| 373 | E | 61.7 | Low | 55.6 | Low | 39 Ų | 39 | 83.7 Ų | 83.7 | 18% | 0.182 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 171.9 | -72.8 | -164.9 | 137.7 | 0 | 0 | 111.6 | T369 L370 Q375 S376 S416 | T369-E373 PolarHBondContact O-N 2.91Å; L370-E373 PolarHBondContact O-N 2.82Å; E373-Q375 PolarHBondContact O-N 3.05Å; E373-S376 PolarHBondContact O-N 2.9Å; E373-S376 VanDerWaalsContact O-N 3.12Å; E373-S376 PolarHBondContact O-OG 2.8Å; E373-S416 WeakPolarHBondContact OE1-CB 3.31Å; E373-S416 PolarHBondContact OE1-OG 2.86Å |
| 374 | C | 52.8 | Low | 53.5 | Low | 65 Ų | 65 | 90 Ų | 90 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -26.8 | 176.1 | -67.1 | 0 | 0 | 0 | 0 | 113.3 | L370 N371 A372 | L370-C374 PolarHBondContact O-N 2.79Å; L370-C374 VanDerWaalsContact O-N 3.09Å; L370-C374 PolarHBondContact O-SG 3.29Å; N371-C374 WeakPolarHBondContact O-CB 3.32Å; N371-C374 PolarHBondContact O-N 2.92Å; A372-C374 VanDerWaalsContact C-N 3.34Å; A372-C374 PolarHBondContact O-N 3.12Å |
| 375 | Q | 52.7 | Low | 51.9 | Low | 167 Ų | 167 | 92.5 Ų | 92.5 | 78% | 0.78 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -6.1 | 178.7 | -70.8 | 178.1 | -4.4 | 0 | 0 | 114 | N371 A372 E373 L377 | N371-Q375 WeakPolarHBondContact O-CG 3.16Å; N371-Q375 PolarHBondContact O-N 2.86Å; A372-Q375 PolarHBondContact O-N 3.19Å; E373-Q375 PolarHBondContact O-N 3.05Å; Q375-L377 VanDerWaalsContact C-N 3.28Å; Q375-L377 PolarHBondContact O-N 2.96Å |
| 376 | S | 49.1 | Very low | 50.6 | Low | 92 Ų | 92 | 95.7 Ų | 95.7 | 64% | 0.643 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -82.7 | 4.9 | -179.2 | 70.5 | 0 | 0 | 0 | 0 | 115.4 | A372 E373 | A372-S376 PolarHBondContact O-N 3.03Å; E373-S376 PolarHBondContact O-N 2.9Å; E373-S376 VanDerWaalsContact O-N 3.12Å; E373-S376 PolarHBondContact O-OG 2.8Å |
| 377 | L | 47.8 | Very low | 48.5 | Very low | 138 Ų | 138 | 102.6 Ų | 102.6 | 72% | 0.723 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -96 | 128.1 | 177.5 | -69.3 | 168.6 | 0 | 0 | 0 | 110.7 | Q375 | Q375-L377 VanDerWaalsContact C-N 3.28Å; Q375-L377 PolarHBondContact O-N 2.96Å |
| 378 | P | 36.3 | Very low | 46.5 | Very low | 113 Ų | 113 | 106.9 Ų | 106.9 | 73% | 0.734 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 142.5 | 177.8 | 29.5 | -34.3 | 0 | 0 | 0 | 111.6 | ||
| 379 | P | 37.6 | Very low | 44.3 | Very low | 126 Ų | 126 | 106.6 Ų | 106.6 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -77 | 137.5 | -177.3 | 30.5 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 380 | L | 34.8 | Very low | 42.2 | Very low | 169 Ų | 169 | 113.9 Ų | 113.9 | 89% | 0.885 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 129 | 166.9 | -79.5 | 167 | 0 | 0 | 0 | 110.2 | ||
| 381 | P | 37.5 | Very low | 40.6 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 118.8 | 178.2 | -5.5 | 23.5 | 0 | 0 | 0 | 112.7 | ||
| 382 | H | 34 | Very low | 38.8 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 82% | 0.815 | 71% | 0.706 | S | S | * | * | trans | 57.5 | 137.1 | 153.6 | -47.3 | -68 | 0 | 0 | 0 | 118.3 | ||||
| 383 | C | 23.7 | Very low | 36.7 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 84% | 0.838 | 72% | 0.719 | S | S | * | * | cis | -145.2 | 174.3 | 49.9 | -83.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 384 | T | 28.3 | Very low | 35 | Very low | 132 Ų | 132 | 133 Ų | 133 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -46.7 | 161.4 | -169.1 | 39.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 385 | P | 36.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | trans | -109.7 | -162.2 | -179.3 | 48.1 | -39 | 0 | 0 | 0 | 112 | ||||
| 386 | P | 48.9 | Very low | 32.6 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -129.7 | -165.6 | -15.2 | 26.7 | -2.2 | 0 | 0 | 0 | 114 | ||||
| 387 | I | 27.1 | Very low | 31.6 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | 91.4 | 107.2 | 158.7 | -51.3 | 163.7 | 0 | 0 | 0 | 117.7 | ||||
| 388 | V | 26.3 | Very low | 30.7 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | -176.4 | 108.2 | 127.5 | 144.5 | 0 | 0 | 0 | 0 | 105.1 | |||||
| 389 | T | 26.8 | Very low | 30.3 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | 61.6 | 119.5 | 90.8 | -38.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 390 | E | 27.8 | Very low | 29.7 | Very low | 164 Ų | 164 | 144 Ų | 144 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -89.8 | 144.1 | -171.5 | -169.4 | -174.4 | -115.4 | 0 | 0 | 112.1 | ||||
| 391 | L | 30.4 | Very low | 29.6 | Very low | 128 Ų | 128 | 144 Ų | 144 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | 158.6 | 130.8 | 123.6 | -82.3 | 163.5 | 0 | 0 | 0 | 115.8 | |||||
| 392 | K | 28.5 | Very low | 29.1 | Very low | 189 Ų | 189 | 148.6 Ų | 148.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 63.9 | 99.5 | 145 | -68.7 | 172 | 176.1 | 172.1 | 0 | 121.5 | ||||
| 393 | G | 23.2 | Very low | 28.9 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | -108.6 | 150.1 | 121.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 394 | K | 25.6 | Very low | 29.2 | Very low | 210 Ų | 210 | 150.2 Ų | 150.2 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | cis | 109.8 | 156.8 | 40 | -106.1 | -165 | 174.1 | -170.7 | 0 | 110.5 | ||||
| 395 | L | 26 | Very low | 29.3 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -73.1 | 174.1 | -167.5 | -68.6 | 88.7 | 0 | 0 | 0 | 114 | ||||
| 396 | E | 28.1 | Very low | 28.9 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -19.6 | 155.7 | 147.6 | -64.7 | 122.5 | 167.5 | 0 | 0 | 115.9 | ||||
| 397 | E | 28.9 | Very low | 28.2 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | cis | -152.7 | -161.7 | 37.4 | -148.5 | 154.7 | -136.9 | 0 | 0 | 113.7 | ||||
| 398 | E | 28 | Very low | 28.3 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -63.5 | 168.6 | -169.6 | -56 | -178.3 | 133.5 | 0 | 0 | 114.5 | ||||
| 399 | E | 28.2 | Very low | 28.9 | Very low | 162 Ų | 162 | 143 Ų | 143 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | -172.5 | 166.5 | 54.8 | -127.1 | -157 | 146.2 | 0 | 0 | 115.8 | |||||
| 400 | T | 25.2 | Very low | 29.3 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | 72.5 | 120.8 | 153.3 | 56.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 401 | E | 31.6 | Very low | 29.9 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -8.8 | 140.7 | 149.5 | -52.7 | -167.9 | 131 | 0 | 0 | 122.6 | ||||
| 402 | K | 28.5 | Very low | 30.4 | Very low | 199 Ų | 199 | 144.4 Ų | 144.4 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | -168.4 | 141.9 | 94.6 | -102.7 | 158.6 | -172 | 155.9 | 0 | 113.6 | |||||
| 403 | G | 29.7 | Very low | 31.2 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -110.9 | 157.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 404 | R | 29.4 | Very low | 32 | Very low | 255 Ų | 255 | 145.6 Ų | 145.6 | 96% | 0.962 | 79% | 0.794 | S | S | * | * | trans | -149.7 | 134.2 | 158.4 | -134 | 177.2 | -174.5 | -165.9 | 0.4 | 109.2 | ||||
| 405 | G | 29.8 | Very low | 33 | Very low | 84 Ų | 84 | 143 Ų | 143 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -92 | 159.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 406 | G | 28.8 | Very low | 34.4 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -155.6 | 133.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 407 | S | 34.3 | Very low | 35.8 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 90% | 0.895 | 74% | 0.74 | S | S | * | * | trans | -104.2 | 124.1 | -168 | 54.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 408 | G | 30.1 | Very low | 37.2 | Very low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | trans | -140.4 | 153.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P410 | G408-P410 WeakPolarHBondContact O-CD 3.4Š| ||
| 409 | P | 37.1 | Very low | 39 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | trans | -84.3 | 124.2 | -165.3 | 31 | -34.8 | 0 | 0 | 0 | 114.5 | Q411 | P409-Q411 PolarHBondContact O-N 3.33Š| ||
| 410 | P | 36.4 | Very low | 40.7 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | trans | -90.2 | 83.4 | 176.4 | 34.8 | -33 | 0 | 0 | 0 | 111.8 | G408 | G408-P410 WeakPolarHBondContact O-CD 3.4Š| ||
| 411 | Q | 40.6 | Very low | 42.6 | Very low | 160 Ų | 160 | 119.2 Ų | 119.2 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | trans | -129.5 | 5 | -175.1 | -74.5 | -159.8 | -12.9 | 0 | 0 | 118.3 | P409 | P409-Q411 PolarHBondContact O-N 3.33Š| ||
| 412 | Q | 40.9 | Very low | 44.4 | Very low | 185 Ų | 185 | 117.1 Ų | 117.1 | 86% | 0.864 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -98.5 | -40.3 | 168.9 | -88.7 | 178 | -34.2 | 0 | 0 | 114 | F414 K415 | Q412-F414 VanDerWaalsContact C-N 3.32Å; Q412-F414 PolarHBondContact O-N 2.84Å; Q412-K415 PolarHBondContact O-N 3.03Å |
| 413 | L | 44.1 | Very low | 46.5 | Very low | 143 Ų | 143 | 111.3 Ų | 111.3 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.6 | -24.9 | -175.4 | -82.1 | 161.7 | 0 | 0 | 0 | 115.5 | ||
| 414 | F | 41.7 | Very low | 48.2 | Very low | 143 Ų | 143 | 107.7 Ų | 107.7 | 63% | 0.627 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -76.7 | -29.2 | -177.6 | -92.1 | -89.7 | 0 | 0 | 0 | 113.9 | Q412 S416 E418 | Q412-F414 VanDerWaalsContact C-N 3.32Å; Q412-F414 PolarHBondContact O-N 2.84Å; F414-S416 PolarHBondContact O-N 2.8Å; F414-E418 PolarHBondContact O-N 3.23Å |
| 415 | K | 44.7 | Very low | 50 | Low | 155 Ų | 155 | 99 Ų | 99 | 67% | 0.674 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.4 | -27.4 | -174.1 | -76.1 | -175.2 | 175.3 | 178.8 | 0 | 114 | Q412 | Q412-K415 PolarHBondContact O-N 3.03Å |
| 416 | S | 55.9 | Low | 52.2 | Low | 38 Ų | 38 | 97.2 Ų | 97.2 | 27% | 0.266 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -78.5 | -43.5 | 177.9 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | E373 F414 E418 Q419 L420 | E373-S416 WeakPolarHBondContact OE1-CB 3.31Å; E373-S416 PolarHBondContact OE1-OG 2.86Å; F414-S416 PolarHBondContact O-N 2.8Å; S416-E418 VanDerWaalsContact C-N 3.28Å; S416-E418 PolarHBondContact O-N 3.24Å; S416-Q419 WeakPolarHBondContact O-CB 3.3Å; S416-Q419 PolarHBondContact O-N 3.1Å; S416-L420 PolarHBondContact O-N 2.86Å |
| 417 | R | 58.8 | Low | 54 | Low | 95 Ų | 95 | 93.4 Ų | 93.4 | 36% | 0.358 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -36.3 | 178.3 | -158.8 | -177.5 | 178.2 | 174.5 | -0.8 | 112.5 | S311 L420 M421 | S311-R417 PolarHBondContact O-NH2 2.83Å; R417-L420 PolarHBondContact O-N 3.23Å; R417-M421 HydrophobicContact CG-CE 4.07Å; R417-M421 WeakPolarHBondContact O-CB 3.47Å; R417-M421 WeakPolarHBondContact O-CG 3.21Å; R417-M421 PolarHBondContact O-N 2.76Å |
| 418 | E | 58.2 | Low | 55.6 | Low | 114 Ų | 114 | 91.4 Ų | 91.4 | 53% | 0.533 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 171.8 | -73.6 | -177 | 165.7 | 0 | 0 | 112.6 | F414 S416 L420 M421 L422 | F414-E418 PolarHBondContact O-N 3.23Å; S416-E418 VanDerWaalsContact C-N 3.28Å; S416-E418 PolarHBondContact O-N 3.24Å; E418-L420 VanDerWaalsContact C-N 3.35Å; E418-L420 PolarHBondContact O-N 3.33Å; E418-M421 PolarHBondContact O-N 2.7Å; E418-L422 VanDerWaalsContact O-CG 3.32Å; E418-L422 WeakPolarHBondContact O-CG 3.48Å; E418-L422 PolarHBondContact O-N 3.27Å |
| 419 | Q | 64.1 | Low | 57.6 | Low | 100 Ų | 100 | 95.6 Ų | 95.6 | 47% | 0.467 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 175.9 | -69.3 | -171.6 | 12 | 0 | 0 | 112.1 | S416 L422 R423 | S416-Q419 WeakPolarHBondContact O-CB 3.3Å; S416-Q419 PolarHBondContact O-N 3.1Å; Q419-L422 PolarHBondContact O-N 3.29Å; Q419-R423 WeakPolarHBondContact O-CG 3.29Å; Q419-R423 PolarHBondContact O-N 2.88Å |
| 420 | L | 65.9 | Low | 59 | Low | 11 Ų | 11 | 90.2 Ų | 90.2 | 6% | 0.058 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 176.8 | -170 | 133.5 | 0 | 0 | 0 | 111.5 | I308 L366 T369 L370 S416 R417 E418 L422 R423 A424 | I308-L420 HydrophobicContact CG2-CD2 4.44Å; L366-L420 HydrophobicContact CD1-CG 4.38Å; T369-L420 HydrophobicContact CG2-CD1 4.47Å; L370-L420 HydrophobicContact CD2-CD1 3.71Å; L370-L420 HydrophobicContact CG-CD1 3.97Å; S416-L420 PolarHBondContact O-N 2.86Å; R417-L420 PolarHBondContact O-N 3.23Å; E418-L420 VanDerWaalsContact C-N 3.35Å; E418-L420 PolarHBondContact O-N 3.33Å; L420-L422 PolarHBondContact O-N 3.26Å; L420-R423 PolarHBondContact O-N 3.1Å; L420-A424 VanDerWaalsContact O-CB 3.32Å; L420-A424 WeakPolarHBondContact O-CB 3.47Å; L420-A424 PolarHBondContact O-N 3.01Å |
| 421 | M | 64 | Low | 60.5 | Low | 74 Ų | 74 | 85.5 Ų | 85.5 | 37% | 0.365 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 171.8 | -78.5 | -168.2 | -93.1 | 0 | 0 | 112.6 | L309 R417 E418 N425 | L309-M421 HydrophobicContact CD2-CG 4.27Å; R417-M421 HydrophobicContact CG-CE 4.07Å; R417-M421 WeakPolarHBondContact O-CB 3.47Å; R417-M421 WeakPolarHBondContact O-CG 3.21Å; R417-M421 PolarHBondContact O-N 2.76Å; E418-M421 PolarHBondContact O-N 2.7Å; M421-N425 WeakPolarHBondContact O-CB 3.3Å; M421-N425 PolarHBondContact O-N 3.27Å; M421-N425 PolarHBondContact O-ND2 3.14Å |
| 422 | L | 68.6 | Low | 61.8 | Low | 125 Ų | 125 | 85.5 Ų | 85.5 | 65% | 0.654 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 176.9 | -74.5 | 167.7 | 0 | 0 | 0 | 112 | E418 Q419 L420 N425 S426 | E418-L422 VanDerWaalsContact O-CG 3.32Å; E418-L422 WeakPolarHBondContact O-CG 3.48Å; E418-L422 PolarHBondContact O-N 3.27Å; Q419-L422 PolarHBondContact O-N 3.29Å; L420-L422 PolarHBondContact O-N 3.26Å; L422-N425 PolarHBondContact O-N 3.29Å; L422-S426 PolarHBondContact O-N 2.95Å |
| 423 | R | 73.4 | Confident | 63 | Low | 78 Ų | 78 | 82.9 Ų | 82.9 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 177.4 | -67.1 | -177 | -155.8 | -145.6 | 15.2 | 111.9 | S365 L366 T369 Q419 L420 N425 S426 L427 | S365-R423 PolarHBondContact O-NH1 3.12Å; S365-R423 VanDerWaalsContact O-NH1 3.11Å; S365-R423 PolarHBondContact OG-NH1 3.22Å; L366-R423 HydrophobicContact CD1-CB 3.83Å; T369-R423 WeakPolarHBondContact OG1-CD 3.36Å; T369-R423 PolarHBondContact OG1-NE 3.16Å; T369-R423 PolarHBondContact OG1-NH1 2.97Å; T369-R423 VanDerWaalsContact OG1-NH1 3.09Å; Q419-R423 WeakPolarHBondContact O-CG 3.29Å; Q419-R423 PolarHBondContact O-N 2.88Å; L420-R423 PolarHBondContact O-N 3.1Å; R423-N425 VanDerWaalsContact C-N 3.33Å; R423-N425 PolarHBondContact O-N 3.1Å; R423-S426 WeakPolarHBondContact O-CB 3.05Å; R423-S426 PolarHBondContact O-N 3.38Å; R423-S426 VanDerWaalsContact O-N 3.13Å; R423-L427 PolarHBondContact O-N 2.84Å |
| 424 | A | 65.1 | Low | 64.2 | Low | 2 Ų | 2 | 76.2 Ų | 76.2 | 2% | 0.017 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L420 L427 K428 | L420-A424 VanDerWaalsContact O-CB 3.32Å; L420-A424 WeakPolarHBondContact O-CB 3.47Å; L420-A424 PolarHBondContact O-N 3.01Å; A424-L427 PolarHBondContact O-N 3.43Å; A424-K428 WeakPolarHBondContact O-CB 3.32Å; A424-K428 PolarHBondContact O-N 2.97Å |
| 425 | N | 67.3 | Low | 65.3 | Low | 72 Ų | 72 | 70.3 Ų | 70.3 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.4 | -29.7 | 174.4 | -80.5 | -71.6 | 0 | 0 | 0 | 113.3 | M421 L422 R423 K429 | M421-N425 WeakPolarHBondContact O-CB 3.3Å; M421-N425 PolarHBondContact O-N 3.27Å; M421-N425 PolarHBondContact O-ND2 3.14Å; L422-N425 PolarHBondContact O-N 3.29Å; R423-N425 VanDerWaalsContact C-N 3.33Å; R423-N425 PolarHBondContact O-N 3.1Å; N425-K429 WeakPolarHBondContact O-CG 3.43Å; N425-K429 PolarHBondContact O-N 2.99Å |
| 426 | S | 75.7 | Confident | 66.3 | Low | 48 Ų | 48 | 66.2 Ų | 66.2 | 34% | 0.336 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.1 | -43.8 | 171.1 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | L422 R423 K429 A430 | L422-S426 PolarHBondContact O-N 2.95Å; R423-S426 WeakPolarHBondContact O-CB 3.05Å; R423-S426 PolarHBondContact O-N 3.38Å; R423-S426 VanDerWaalsContact O-N 3.13Å; S426-K429 PolarHBondContact O-N 3.33Å; S426-A430 PolarHBondContact O-N 2.9Å; S426-A430 VanDerWaalsContact O-N 3.1Å |
| 427 | L | 68.3 | Low | 66.6 | Low | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 174.7 | -175.1 | 69.3 | 0 | 0 | 0 | 111.4 | L324 L359 K362 L363 L366 R423 A424 K429 A430 V431 | L324-L427 HydrophobicContact CD2-CD2 4.34Å; L359-L427 HydrophobicContact CD1-CD1 3.55Å; K362-L427 HydrophobicContact CB-CD1 4.35Å; L363-L427 HydrophobicContact CB-CD1 4.17Å; L363-L427 HydrophobicContact CD1-CD1 3.93Å; L363-L427 HydrophobicContact CD1-CD2 3.61Å; L363-L427 HydrophobicContact CD1-CG 4.43Å; L366-L427 HydrophobicContact CD2-CD2 3.72Å; R423-L427 PolarHBondContact O-N 2.84Å; A424-L427 PolarHBondContact O-N 3.43Å; L427-K429 PolarHBondContact O-N 3.08Å; L427-A430 PolarHBondContact O-N 2.88Å; L427-V431 HydrophobicContact CD1-CG2 4.43Å; L427-V431 HydrophobicContact CG-CG2 4.38Å; L427-V431 WeakPolarHBondContact O-CG2 3.43Å; L427-V431 PolarHBondContact O-N 3.27Å |
| 428 | K | 67.6 | Low | 66.8 | Low | 87 Ų | 87 | 61.7 Ų | 61.7 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.3 | -36.1 | 176.7 | -176.3 | 171 | -175.6 | 171.2 | 0 | 113 | L305 A424 R432 | L305-K428 HydrophobicContact CD1-CB 3.97Å; L305-K428 HydrophobicContact CD1-CD 4.15Å; L305-K428 HydrophobicContact CD1-CG 3.9Å; A424-K428 WeakPolarHBondContact O-CB 3.32Å; A424-K428 PolarHBondContact O-N 2.97Å; K428-R432 WeakPolarHBondContact O-CB 3.5Å; K428-R432 PolarHBondContact O-N 3.01Å |
| 429 | K | 71 | Confident | 67 | Low | 152 Ų | 152 | 59 Ų | 59 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -71.3 | -44.3 | 173.9 | -72.7 | 178 | 179.9 | -177.4 | 0 | 112.2 | N425 S426 L427 R432 Q433 | N425-K429 WeakPolarHBondContact O-CG 3.43Å; N425-K429 PolarHBondContact O-N 2.99Å; S426-K429 PolarHBondContact O-N 3.33Å; L427-K429 PolarHBondContact O-N 3.08Å; K429-R432 PolarHBondContact O-N 2.86Å; K429-Q433 WeakPolarHBondContact O-CG 3.18Å; K429-Q433 PolarHBondContact O-N 2.92Å |
| 430 | A | 67.8 | Low | 66.8 | Low | 6 Ų | 6 | 60 Ų | 60 | 5% | 0.05 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L359 K362 S426 L427 R432 Q433 I434 | L359-A430 HydrophobicContact CD1-CB 3.81Å; K362-A430 HydrophobicContact CD-CB 3.95Å; S426-A430 PolarHBondContact O-N 2.9Å; S426-A430 VanDerWaalsContact O-N 3.1Å; L427-A430 PolarHBondContact O-N 2.88Å; A430-R432 VanDerWaalsContact C-N 3.34Å; A430-R432 PolarHBondContact O-N 3.35Å; A430-Q433 PolarHBondContact O-N 2.95Å; A430-I434 PolarHBondContact O-N 3.47Å |
| 431 | V | 66.9 | Low | 66.5 | Low | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.036 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 175.6 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | V301 V328 L359 L427 Q433 I434 I435 | V301-V431 HydrophobicContact CG1-CG1 4.26Å; V328-V431 HydrophobicContact CG2-CG2 4.3Å; L359-V431 HydrophobicContact CD1-CG2 3.62Å; L359-V431 HydrophobicContact CD2-CG2 4.26Å; L427-V431 HydrophobicContact CD1-CG2 4.43Å; L427-V431 HydrophobicContact CG-CG2 4.38Å; L427-V431 WeakPolarHBondContact O-CG2 3.43Å; L427-V431 PolarHBondContact O-N 3.27Å; V431-Q433 VanDerWaalsContact C-N 3.34Å; V431-Q433 PolarHBondContact O-N 3.09Å; V431-I434 PolarHBondContact O-N 2.87Å; V431-I434 VanDerWaalsContact O-N 3.15Å; V431-I435 HydrophobicContact CG1-CD1 3.8Å; V431-I435 HydrophobicContact CG1-CG1 4.35Å; V431-I435 WeakPolarHBondContact O-CG1 3.28Å; V431-I435 PolarHBondContact O-N 3.29Å |
| 432 | R | 67.4 | Low | 66.1 | Low | 160 Ų | 160 | 58.9 Ų | 58.9 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 179.1 | -170.1 | 176.2 | -173.5 | 137.4 | 14.9 | 112.5 | K428 K429 A430 I434 I435 D436 | K428-R432 WeakPolarHBondContact O-CB 3.5Å; K428-R432 PolarHBondContact O-N 3.01Å; K429-R432 PolarHBondContact O-N 2.86Å; A430-R432 VanDerWaalsContact C-N 3.34Å; A430-R432 PolarHBondContact O-N 3.35Å; R432-I434 PolarHBondContact O-N 3.49Å; R432-I435 PolarHBondContact O-N 3.39Å; R432-D436 IonicContact NE-OD1 3.87Å; R432-D436 IonicContact NE-OD2 3.26Å; R432-D436 WeakPolarHBondContact O-CB 3.41Å; R432-D436 PolarHBondContact O-N 2.91Å |
| 433 | Q | 67.7 | Low | 65.5 | Low | 129 Ų | 129 | 57.5 Ų | 57.5 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.8 | -26.5 | 177.8 | -73.3 | 176.1 | -54.8 | 0 | 0 | 113.9 | K429 A430 V431 Q437 | K429-Q433 WeakPolarHBondContact O-CG 3.18Å; K429-Q433 PolarHBondContact O-N 2.92Å; A430-Q433 PolarHBondContact O-N 2.95Å; V431-Q433 VanDerWaalsContact C-N 3.34Å; V431-Q433 PolarHBondContact O-N 3.09Å; Q433-Q437 PolarHBondContact O-N 2.99Å |
| 434 | I | 67.4 | Low | 64.7 | Low | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -83.8 | -39.2 | 175.4 | -70.9 | 158.9 | 0 | 0 | 0 | 110.8 | F331 M352 K355 L359 A430 V431 R432 Q437 A438 | F331-I434 HydrophobicContact CE1-CG2 4.01Å; M352-I434 HydrophobicContact SD-CG2 4.21Å; K355-I434 HydrophobicContact CB-CD1 4.2Å; K355-I434 HydrophobicContact CB-CG1 4.07Å; L359-I434 HydrophobicContact CB-CD1 3.74Å; L359-I434 HydrophobicContact CD2-CD1 3.57Å; L359-I434 HydrophobicContact CG-CD1 4.21Å; A430-I434 PolarHBondContact O-N 3.47Å; V431-I434 PolarHBondContact O-N 2.87Å; V431-I434 VanDerWaalsContact O-N 3.15Å; R432-I434 PolarHBondContact O-N 3.49Å; I434-Q437 PolarHBondContact O-N 3.17Å; I434-A438 WeakPolarHBondContact O-CB 3.48Å; I434-A438 PolarHBondContact O-N 3.02Å |
| 435 | I | 66.6 | Low | 63.8 | Low | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.097 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.6 | -48.8 | 171.1 | -64.8 | 172 | 0 | 0 | 0 | 110.4 | I294 F331 V431 R432 Q437 A438 V439 | I294-I435 HydrophobicContact CG2-CG2 4.39Å; F331-I435 HydrophobicContact CE1-CG1 4.38Å; F331-I435 HydrophobicContact CZ-CG1 3.99Å; V431-I435 HydrophobicContact CG1-CD1 3.8Å; V431-I435 HydrophobicContact CG1-CG1 4.35Å; V431-I435 WeakPolarHBondContact O-CG1 3.28Å; V431-I435 PolarHBondContact O-N 3.29Å; R432-I435 PolarHBondContact O-N 3.39Å; I435-Q437 PolarHBondContact O-N 3.41Å; I435-Q437 VanDerWaalsContact O-N 3.1Å; I435-A438 PolarHBondContact O-N 3.31Å; I435-V439 HydrophobicContact CG2-CG2 4.12Å; I435-V439 WeakPolarHBondContact O-CB 3.4Å; I435-V439 WeakPolarHBondContact O-CG2 3.46Å; I435-V439 PolarHBondContact O-N 3.17Å |
| 436 | D | 65.1 | Low | 62.9 | Low | 68 Ų | 68 | 64.2 Ų | 64.2 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -19.9 | 178.5 | -66.7 | -18.4 | 0 | 0 | 0 | 113 | R432 R440 | R432-D436 IonicContact NE-OD1 3.87Å; R432-D436 IonicContact NE-OD2 3.26Å; R432-D436 WeakPolarHBondContact O-CB 3.41Å; R432-D436 PolarHBondContact O-N 2.91Å; D436-R440 PolarHBondContact O-NH1 2.99Å |
| 437 | Q | 62.7 | Low | 61.5 | Low | 30 Ų | 30 | 64.7 Ų | 64.7 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -92.6 | -42.7 | 173.2 | -175.4 | 70 | 26.6 | 0 | 0 | 112.1 | M352 Q433 I434 I435 V439 R440 V441 | M352-Q437 HydrophobicContact CE-CB 4Å; M352-Q437 HydrophobicContact CE-CG 3.58Å; Q433-Q437 PolarHBondContact O-N 2.99Å; I434-Q437 PolarHBondContact O-N 3.17Å; I435-Q437 PolarHBondContact O-N 3.41Å; I435-Q437 VanDerWaalsContact O-N 3.1Å; Q437-V439 VanDerWaalsContact C-N 3.32Å; Q437-V439 PolarHBondContact O-N 3.01Å; Q437-R440 PolarHBondContact O-N 3.01Å; Q437-V441 PolarHBondContact O-N 3.2Å; Q437-V441 VanDerWaalsContact O-N 3.09Å |
| 438 | A | 61.5 | Low | 60.2 | Low | 8 Ų | 8 | 71.5 Ų | 71.5 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.7 | -38.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I434 I435 V441 V442 | I434-A438 WeakPolarHBondContact O-CB 3.48Å; I434-A438 PolarHBondContact O-N 3.02Å; I435-A438 PolarHBondContact O-N 3.31Å; A438-V441 PolarHBondContact O-N 3.36Å; A438-V442 WeakPolarHBondContact O-CG2 3.37Å; A438-V442 PolarHBondContact O-N 3.31Å |
| 439 | V | 62.7 | Low | 59 | Low | 58 Ų | 58 | 72 Ų | 72 | 35% | 0.352 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 172.7 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | I435 Q437 V441 V442 D443 | I435-V439 HydrophobicContact CG2-CG2 4.12Å; I435-V439 WeakPolarHBondContact O-CB 3.4Å; I435-V439 WeakPolarHBondContact O-CG2 3.46Å; I435-V439 PolarHBondContact O-N 3.17Å; Q437-V439 VanDerWaalsContact C-N 3.32Å; Q437-V439 PolarHBondContact O-N 3.01Å; V439-V441 PolarHBondContact O-N 3.14Å; V439-V442 PolarHBondContact O-N 3.03Å; V439-D443 WeakPolarHBondContact O-CB 3.24Å; V439-D443 VanDerWaalsContact O-CG 3.27Å; V439-D443 PolarHBondContact O-N 3.39Å |
| 440 | R | 61.1 | Low | 57.5 | Low | 120 Ų | 120 | 71.8 Ų | 71.8 | 45% | 0.453 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | 176.5 | -82.2 | -167.3 | -68.3 | -95.7 | -0.9 | 112.8 | D436 Q437 V442 D443 E444 | D436-R440 PolarHBondContact O-NH1 2.99Å; Q437-R440 PolarHBondContact O-N 3.01Å; R440-V442 VanDerWaalsContact C-N 3.32Å; R440-V442 PolarHBondContact O-N 3.06Å; R440-D443 PolarHBondContact O-N 2.81Å; R440-E444 WeakPolarHBondContact O-CB 3.38Å; R440-E444 VanDerWaalsContact O-CG 3.28Å; R440-E444 WeakPolarHBondContact O-CG 3.49Å; R440-E444 PolarHBondContact O-N 2.92Å |
| 441 | V | 58.9 | Low | 56 | Low | 22 Ų | 22 | 78.8 Ų | 78.8 | 13% | 0.133 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.1 | -30 | -179.1 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | Y339 Q437 A438 V439 Q445 | Y339-V441 WeakPolarHBondContact OH-CG2 3.32Å; Q437-V441 PolarHBondContact O-N 3.2Å; Q437-V441 VanDerWaalsContact O-N 3.09Å; A438-V441 PolarHBondContact O-N 3.36Å; V439-V441 PolarHBondContact O-N 3.14Å; V441-Q445 WeakPolarHBondContact O-CB 3.43Å; V441-Q445 VanDerWaalsContact O-CG 3.31Å; V441-Q445 WeakPolarHBondContact O-CG 3.15Å; V441-Q445 PolarHBondContact O-N 2.96Å |
| 442 | V | 56.2 | Low | 54.5 | Low | 41 Ų | 41 | 84.1 Ų | 84.1 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -69.1 | -43.9 | 169.5 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | I294 A438 V439 R440 E444 Q445 N446 | I294-V442 HydrophobicContact CD1-CG2 4.39Å; A438-V442 WeakPolarHBondContact O-CG2 3.37Å; A438-V442 PolarHBondContact O-N 3.31Å; V439-V442 PolarHBondContact O-N 3.03Å; R440-V442 VanDerWaalsContact C-N 3.32Å; R440-V442 PolarHBondContact O-N 3.06Å; V442-E444 VanDerWaalsContact C-N 3.31Å; V442-E444 PolarHBondContact O-N 3.48Å; V442-Q445 PolarHBondContact O-N 3.26Å; V442-N446 WeakPolarHBondContact O-CB 3.43Å; V442-N446 PolarHBondContact O-N 2.95Å; V442-N446 PolarHBondContact O-ND2 2.95Å |
| 443 | D | 55.2 | Low | 52.7 | Low | 95 Ų | 95 | 85 Ų | 85 | 51% | 0.508 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 175.2 | -69.6 | -23.6 | 0 | 0 | 0 | 111.7 | V439 R440 A447 | V439-D443 WeakPolarHBondContact O-CB 3.24Å; V439-D443 VanDerWaalsContact O-CG 3.27Å; V439-D443 PolarHBondContact O-N 3.39Å; R440-D443 PolarHBondContact O-N 2.81Å; D443-A447 WeakPolarHBondContact O-CB 3.48Å; D443-A447 PolarHBondContact O-N 3.29Å |
| 444 | E | 56 | Low | 50.7 | Low | 98 Ų | 98 | 86.9 Ų | 86.9 | 46% | 0.458 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.9 | -39.2 | 176.3 | -74.2 | 161.5 | 170.8 | 0 | 0 | 111.9 | R440 V442 A447 H448 | R440-E444 WeakPolarHBondContact O-CB 3.38Å; R440-E444 VanDerWaalsContact O-CG 3.28Å; R440-E444 WeakPolarHBondContact O-CG 3.49Å; R440-E444 PolarHBondContact O-N 2.92Å; V442-E444 VanDerWaalsContact C-N 3.31Å; V442-E444 PolarHBondContact O-N 3.48Å; E444-A447 PolarHBondContact O-N 3.37Å; E444-H448 PolarHBondContact O-N 3.48Å; E444-H448 PolarHBondContact O-ND1 3.48Å |
| 445 | Q | 46.2 | Very low | 48.8 | Very low | 107 Ų | 107 | 92.5 Ų | 92.5 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 172.3 | -79.3 | 178.9 | -10.9 | 0 | 0 | 111.9 | V441 V442 A447 H448 T449 | V441-Q445 WeakPolarHBondContact O-CB 3.43Å; V441-Q445 VanDerWaalsContact O-CG 3.31Å; V441-Q445 WeakPolarHBondContact O-CG 3.15Å; V441-Q445 PolarHBondContact O-N 2.96Å; V442-Q445 PolarHBondContact O-N 3.26Å; Q445-A447 VanDerWaalsContact C-N 3.26Å; Q445-A447 PolarHBondContact O-N 3.41Å; Q445-H448 PolarHBondContact O-N 3.28Å; Q445-H448 VanDerWaalsContact O-N 3.12Å; Q445-T449 PolarHBondContact O-N 2.91Å; Q445-T449 PolarHBondContact O-OG1 3Å |
| 446 | N | 49.9 | Very low | 46.9 | Very low | 89 Ų | 89 | 96.8 Ų | 96.8 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.2 | -39.6 | 175.5 | -67.5 | -32 | 0 | 0 | 0 | 111.6 | V442 H448 T449 D450 | V442-N446 WeakPolarHBondContact O-CB 3.43Å; V442-N446 PolarHBondContact O-N 2.95Å; V442-N446 PolarHBondContact O-ND2 2.95Å; N446-H448 VanDerWaalsContact C-N 3.33Å; N446-H448 PolarHBondContact O-N 3.48Å; N446-T449 WeakPolarHBondContact CA-OG1 3.44Å; N446-T449 PolarHBondContact O-N 3.02Å; N446-T449 PolarHBondContact O-OG1 3.25Å; N446-D450 PolarHBondContact O-N 3.48Å |
| 447 | A | 45.3 | Very low | 45.4 | Very low | 57 Ų | 57 | 99.8 Ų | 99.8 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.6 | -30 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D443 E444 Q445 | D443-A447 WeakPolarHBondContact O-CB 3.48Å; D443-A447 PolarHBondContact O-N 3.29Å; E444-A447 PolarHBondContact O-N 3.37Å; Q445-A447 VanDerWaalsContact C-N 3.26Å; Q445-A447 PolarHBondContact O-N 3.41Å |
| 448 | H | 41.8 | Very low | 43.7 | Very low | 146 Ų | 146 | 106.3 Ų | 106.3 | 68% | 0.676 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -78.9 | -23.7 | 175.9 | -73.3 | 80.2 | 0 | 0 | 0 | 112.9 | E444 Q445 N446 T452 | E444-H448 PolarHBondContact O-N 3.48Å; E444-H448 PolarHBondContact O-ND1 3.48Å; Q445-H448 PolarHBondContact O-N 3.28Å; Q445-H448 VanDerWaalsContact O-N 3.12Å; N446-H448 VanDerWaalsContact C-N 3.33Å; N446-H448 PolarHBondContact O-N 3.48Å; H448-T452 PolarHBondContact O-OG1 3.27Å |
| 449 | T | 41.7 | Very low | 42 | Very low | 97 Ų | 97 | 114.1 Ų | 114.1 | 60% | 0.595 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.4 | -35.5 | 173.5 | 32.7 | 0 | 0 | 0 | 0 | 113.6 | Q445 N446 D451 T452 | Q445-T449 PolarHBondContact O-N 2.91Å; Q445-T449 PolarHBondContact O-OG1 3Å; N446-T449 WeakPolarHBondContact CA-OG1 3.44Å; N446-T449 PolarHBondContact O-N 3.02Å; N446-T449 PolarHBondContact O-OG1 3.25Å; T449-D451 VanDerWaalsContact C-N 3.27Å; T449-D451 PolarHBondContact O-N 2.98Å; T449-T452 PolarHBondContact O-N 2.79Å |
| 450 | D | 40 | Very low | 40.2 | Very low | 148 Ų | 148 | 119.9 Ų | 119.9 | 79% | 0.791 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.2 | -23.4 | -178 | -87.6 | -14.3 | 0 | 0 | 0 | 113.9 | N446 | N446-D450 PolarHBondContact O-N 3.48Å |
| 451 | D | 36 | Very low | 38.5 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -1.8 | -179.2 | -98.2 | -21.8 | 0 | 0 | 0 | 114.1 | T449 | T449-D451 VanDerWaalsContact C-N 3.27Å; T449-D451 PolarHBondContact O-N 2.98Å |
| 452 | T | 34.4 | Very low | 37 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -119.4 | 31.1 | -168.2 | -42.2 | 0 | 0 | 0 | 0 | 115.2 | H448 T449 | H448-T452 PolarHBondContact O-OG1 3.27Å; T449-T452 PolarHBondContact O-N 2.79Å |
| 453 | E | 29.3 | Very low | 35.5 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | -145.9 | 78.9 | 176.2 | -148.5 | 174.1 | -110.2 | 0 | 0 | 116.7 | ||||
| 454 | L | 26.2 | Very low | 34.1 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | trans | -170.2 | 114.7 | 147.7 | -111.7 | 158.5 | 0 | 0 | 0 | 113.5 | ||||
| 455 | P | 28.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 149.9 | 175.8 | 33.4 | -34.4 | 0 | 0 | 0 | 113.2 | ||
| 456 | S | 25.4 | Very low | 32 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 151.5 | 178 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 457 | P | 34 | Very low | 31 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 84% | 0.844 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 142.3 | 170.3 | -13.8 | 30.3 | 0 | 0 | 0 | 112.7 | ||
| 458 | L | 28.1 | Very low | 30.2 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 151 | 177.5 | -67.5 | 156.9 | 0 | 0 | 0 | 112.6 | ||
| 459 | E | 25.7 | Very low | 29.6 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -152 | 135.9 | 131.3 | -86.5 | -131.6 | 119.1 | 0 | 0 | 112.9 | ||||
| 460 | F | 24.3 | Very low | 28.8 | Very low | 179 Ų | 179 | 150 Ų | 150 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 45.5 | 108.3 | 156.9 | -76.8 | -86.1 | 0 | 0 | 0 | 124.9 | ||||
| 461 | R | 25.7 | Very low | 28.2 | Very low | 233 Ų | 233 | 149.5 Ų | 149.5 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -20.4 | 144.2 | 148 | -71.7 | 173.6 | 161.2 | 172.3 | -7.2 | 118.3 | ||||
| 462 | K | 27.1 | Very low | 27.5 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | -158.6 | 148.2 | 108.5 | -114.9 | -174.9 | 169.6 | -87.7 | 0 | 114 | |||||
| 463 | D | 24.8 | Very low | 27.1 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | 1.4 | 149.7 | 149.6 | -32 | -23.9 | 0 | 0 | 0 | 119.2 | ||||
| 464 | S | 26.5 | Very low | 26.8 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | cis | -174.4 | 161.2 | -13 | 48.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 465 | E | 29 | Very low | 26.7 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 67.5 | 127.5 | 151.4 | -72.2 | 159.4 | -176.3 | 0 | 0 | 122.6 | ||||
| 466 | D | 28.5 | Very low | 26.5 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | 75.5 | 110.9 | 132.8 | -64.9 | 8.3 | 0 | 0 | 0 | 125.8 | ||||
| 467 | E | 28.4 | Very low | 26.5 | Very low | 160 Ų | 160 | 152 Ų | 152 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 81.5 | 133 | 121.7 | -73.2 | -124.4 | 112.9 | 0 | 0 | 124.8 | |||||
| 468 | N | 28.9 | Very low | 25.9 | Very low | 104 Ų | 104 | 153 Ų | 153 | 56% | 0.556 | 76% | 0.759 | S | S | * | * | trans | 71.3 | 99 | 140.2 | -79.8 | -42.6 | 0 | 0 | 0 | 123.7 | ||||
| 469 | R | 29.3 | Very low | 26.5 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | 80 | 135.6 | 113.9 | -74.6 | 176 | 85 | 157.7 | 12.3 | 123.1 | |||||
| 470 | D | 25.4 | Very low | 26.5 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | trans | 43.4 | 114.6 | 133.1 | -43.8 | -19.1 | 0 | 0 | 0 | 117.6 | ||||
| 471 | T | 25.8 | Very low | 26.5 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | -177.4 | 151.1 | 73.5 | -65 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 472 | C | 23 | Very low | 26.4 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | trans | -95.2 | 128.9 | 175.2 | 177.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 473 | S | 24.3 | Very low | 26.2 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | trans | -179.7 | 177.3 | 145.7 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 474 | S | 23.6 | Very low | 26.1 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | -163.5 | 160.3 | -70.7 | 70 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 475 | V | 24.8 | Very low | 25.9 | Very low | 114 Ų | 114 | 143 Ų | 143 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | 70.7 | 101.6 | 155.2 | -179.6 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 476 | R | 23.6 | Very low | 25.6 | Very low | 219 Ų | 219 | 146.4 Ų | 146.4 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | 49.3 | 119.6 | 132.1 | -50.5 | 175.6 | -168.3 | 178.6 | 1.6 | 121.5 | ||||
| 477 | R | 25.1 | Very low | 25.4 | Very low | 238 Ų | 238 | 145.8 Ų | 145.8 | 90% | 0.898 | 76% | 0.764 | S | S | * | * | -179.9 | 138.6 | 99.7 | -106.3 | 173.3 | -78.7 | -163.2 | -2 | 115.3 | |||||
| 478 | D | 22.1 | Very low | 25.3 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -73 | 178.2 | 157 | -55.3 | -79 | 0 | 0 | 0 | 110.8 | ||||
| 479 | P | 41.2 | Very low | 25.1 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -153.4 | -171.3 | 17.7 | 48.4 | -27.8 | 0 | 0 | 0 | 119.7 | ||||
| 480 | V | 25.1 | Very low | 24.8 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | 86.1 | 128.4 | 150.2 | 167.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 481 | S | 24 | Very low | 24.8 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | 103.7 | 113.3 | 144 | 65.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 482 | V | 24.8 | Very low | 24.9 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | 58.5 | 100.1 | 123.8 | -170.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 483 | R | 22.8 | Very low | 25 | Very low | 213 Ų | 213 | 145.9 Ų | 145.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | 42.6 | 138.7 | 121.1 | -101.5 | -176.2 | 177.2 | -145.5 | 12.4 | 123.9 | |||||
| 484 | E | 22.3 | Very low | 25.1 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | 91.3 | 149.1 | 143.6 | -73.4 | 175.5 | -144.2 | 0 | 0 | 121.6 | ||||
| 485 | G | 22.8 | Very low | 25.7 | Very low | 73 Ų | 73 | 147 Ų | 147 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 106.8 | 102.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 486 | R | 22.8 | Very low | 25.6 | Very low | 242 Ų | 242 | 147.7 Ų | 147.7 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | cis | 60.7 | 116 | 46.8 | -81.9 | -167.5 | 175.1 | -169.1 | 1 | 115.7 | ||||
| 487 | V | 24.2 | Very low | 25.6 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | 165.8 | 146.5 | 129.2 | 147.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 488 | Q | 25.2 | Very low | 26.3 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 66% | 0.659 | 78% | 0.776 | S | S | * | * | cis | -168.1 | -175.5 | -32.6 | -162.4 | 157.4 | -106.4 | 0 | 0 | 108.6 | ||||
| 489 | F | 24.2 | Very low | 26.5 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | 91.5 | 139.1 | 161.5 | -62.5 | -69 | 0 | 0 | 0 | 118.6 | ||||
| 490 | S | 23.8 | Very low | 25.6 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | cis | -154.9 | 151.4 | -2.1 | 42.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 491 | A | 25.6 | Very low | 25.5 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 60.6 | 150.3 | 143.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 492 | A | 26.9 | Very low | 25.5 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | cis | -172.2 | 144 | -21.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 493 | R | 25.2 | Very low | 25.3 | Very low | 244 Ų | 244 | 141.6 Ų | 141.6 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | 61.9 | 157.5 | 154.5 | -62.9 | 171.4 | 179.1 | 178.5 | -1 | 117.1 | ||||
| 494 | S | 27.2 | Very low | 25.3 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | cis | -143.8 | 171 | 4.5 | -18.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 495 | P | 35.9 | Very low | 25.3 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -119.6 | 175.5 | -157.2 | 42.7 | -33.7 | 0 | 0 | 0 | 118.1 | ||||
| 496 | C | 22.6 | Very low | 25.3 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | 130.6 | 152.2 | 145.4 | -72.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 497 | S | 23.3 | Very low | 25.3 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -138.3 | -167.5 | -160 | 67.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 498 | P | 41 | Very low | 25.2 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -122.8 | -146.4 | 11.4 | 28.9 | -0.9 | 0 | 0 | 0 | 112.3 | ||||
| 499 | T | 24.7 | Very low | 25 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | cis | -160.4 | 156.5 | 14.1 | -23.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 500 | E | 24.2 | Very low | 24.9 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 51.4 | 102.5 | 146.1 | -88.6 | 178.8 | -157.4 | 0 | 0 | 125.3 | ||||
| 501 | S | 22.8 | Very low | 24.8 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | 102.4 | 152.4 | 107.9 | 89.2 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 502 | R | 22.6 | Very low | 25.2 | Very low | 227 Ų | 227 | 137.6 Ų | 137.6 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | 73.5 | 93.7 | 150.5 | -72.8 | 177.9 | 178.3 | -166.4 | 0.8 | 123.7 | ||||
| 503 | V | 21.8 | Very low | 24.9 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | 56.4 | 98.3 | 105.6 | 180 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 504 | S | 21.9 | Very low | 24.7 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 81.5 | 148 | 131.1 | 82.1 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 505 | R | 21.7 | Very low | 24.6 | Very low | 242 Ų | 242 | 139.6 Ų | 139.6 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | 74.9 | 102.8 | 148.1 | -91.6 | -175.9 | 171.4 | 174.9 | -1.7 | 122.6 | ||||
| 506 | S | 23.7 | Very low | 23.9 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -152.3 | 145.3 | 136.8 | 51.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 507 | T | 22.1 | Very low | 24.6 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | cis | 112 | 97.3 | 9.8 | -57.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 508 | Q | 22.5 | Very low | 24.6 | Very low | 183 Ų | 183 | 144.3 Ų | 144.3 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | 66.2 | 145.6 | 160 | -69.3 | 172.3 | -8.7 | 0 | 0 | 116.7 | ||||
| 509 | S | 20.4 | Very low | 23.7 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | -167.5 | 175.5 | 14.9 | 42.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 510 | Y | 23.4 | Very low | 23.7 | Very low | 231 Ų | 231 | 144.6 Ų | 144.6 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | 67.3 | 152.5 | 168.3 | -61.4 | -78.4 | 0 | 0 | 0 | 119.5 | ||||
| 511 | G | 21.7 | Very low | 23.7 | Very low | 69 Ų | 69 | 141.3 Ų | 141.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -132 | -142 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 512 | P | 33.3 | Very low | 23.9 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | cis | -135.1 | -179.6 | -9.4 | 32.9 | -10.7 | 0 | 0 | 0 | 115.1 | ||||
| 513 | F | 21.6 | Very low | 24.1 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | 68 | 157.7 | 177.2 | -48.6 | -74.6 | 0 | 0 | 0 | 114.9 | ||||
| 514 | T | 20.9 | Very low | 24.3 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | cis | -142.8 | -174.1 | 22.5 | -49.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 515 | I | 24 | Very low | 24.4 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 74% | 0.744 | 78% | 0.775 | S | S | * | * | trans | -103.2 | 142.5 | -160.9 | -60.3 | 153.1 | 0 | 0 | 0 | 113.6 | ||||
| 516 | T | 22.8 | Very low | 24.7 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | -175.2 | 152.2 | 127.9 | 18.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 517 | P | 37.1 | Very low | 25 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -123 | 166.6 | -173.7 | 42.9 | -31.8 | 0 | 0 | 0 | 116.1 | ||||
| 518 | F | 22 | Very low | 25.6 | Very low | 210 Ų | 210 | 135.8 Ų | 135.8 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | trans | -176.2 | 156.3 | 158.3 | -98.3 | -48.8 | 0 | 0 | 0 | 108.8 | ||||
| 519 | T | 23.2 | Very low | 26.3 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | cis | -136 | 177.4 | 1.2 | 61 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 520 | T | 24.2 | Very low | 27.1 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | trans | -11 | 156.2 | 151 | 56.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 521 | S | 24.4 | Very low | 27.4 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | cis | -175.2 | 178.6 | -14.4 | 58.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 522 | K | 25.9 | Very low | 28.2 | Very low | 169 Ų | 169 | 123.7 Ų | 123.7 | 74% | 0.735 | 67% | 0.666 | S | S | * | * | trans | 81.2 | 128.6 | 165.2 | -77.9 | -161 | 161.7 | -135.4 | 0 | 118.2 | ||||
| 523 | E | 27.7 | Very low | 28.1 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | cis | -133.1 | 154.3 | -4.8 | -58.3 | -162.3 | 141 | 0 | 0 | 110.9 | ||||
| 524 | N | 25.8 | Very low | 28.4 | Very low | 152 Ų | 152 | 118.7 Ų | 118.7 | 81% | 0.813 | 65% | 0.649 | S | S | * | * | trans | -129.4 | 139.8 | -170 | -66 | -65 | 0 | 0 | 0 | 113.3 | ||||
| 525 | L | 24.9 | Very low | 28.8 | Very low | 152 Ų | 152 | 119 Ų | 119 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | trans | -94.6 | 144.9 | 138.1 | -88.2 | 79.4 | 0 | 0 | 0 | 108.2 | V527 | L525-V527 PolarHBondContact O-N 3.24Š| ||
| 526 | P | 26.8 | Very low | 29 | Very low | 116 Ų | 116 | 114.7 Ų | 114.7 | 75% | 0.753 | 65% | 0.645 | S | S | * | * | trans | -71.9 | 101.8 | 175.6 | 29.3 | -33.3 | 0 | 0 | 0 | 110.6 | L528 | P526-L528 PolarHBondContact O-N 3.05Š| ||
| 527 | V | 30.9 | Very low | 29.5 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 66% | 0.661 | 65% | 0.649 | S | S | * | * | trans | -73.3 | 111.4 | 173.7 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | L525 N529 | L525-V527 PolarHBondContact O-N 3.24Å; V527-N529 HydrophobicContact CG1-CB 4.28Å; V527-N529 WeakPolarHBondContact CG1-ND2 3.44Å; V527-N529 PolarHBondContact O-N 2.93Å | ||
| 528 | L | 34 | Very low | 29 | Very low | 58 Ų | 58 | 123.3 Ų | 123.3 | 30% | 0.304 | 66% | 0.661 | S | S | . | * | trans | -74.6 | 52.9 | -179.7 | -74.5 | 156.6 | 0 | 0 | 0 | 113.1 | P526 T530 P645 P647 | P526-L528 PolarHBondContact O-N 3.05Å; L528-T530 VanDerWaalsContact C-N 3.25Å; L528-T530 PolarHBondContact O-N 3.12Å; L528-P645 WeakPolarHBondContact CD1-O 3.11Å; L528-P645 HydrophobicContact CD2-CB 4.07Å; L528-P645 HydrophobicContact CD2-CG 4.13Å; L528-P647 HydrophobicContact CD1-CG 4.4Å | ||
| 529 | N | 37.4 | Very low | 29.4 | Very low | 95 Ų | 95 | 118.4 Ų | 118.4 | 51% | 0.508 | 66% | 0.659 | S | S | . | * | trans | -78.8 | 65.8 | 177.2 | -84.7 | -16.4 | 0 | 0 | 0 | 111.9 | V527 R531 | V527-N529 HydrophobicContact CG1-CB 4.28Å; V527-N529 WeakPolarHBondContact CG1-ND2 3.44Å; V527-N529 PolarHBondContact O-N 2.93Å; N529-R531 PolarHBondContact O-N 3.25Å | ||
| 530 | T | 37.4 | Very low | 29.8 | Very low | 44 Ų | 44 | 116.7 Ų | 116.7 | 27% | 0.27 | 66% | 0.663 | S | S | . | * | trans | -88.9 | 100.8 | 171 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | L528 I532 | L528-T530 VanDerWaalsContact C-N 3.25Å; L528-T530 PolarHBondContact O-N 3.12Å; T530-I532 VanDerWaalsContact C-N 3.28Å; T530-I532 PolarHBondContact O-N 3.3Å | ||
| 531 | R | 30.2 | Very low | 30 | Very low | 153 Ų | 153 | 117.3 Ų | 117.3 | 58% | 0.577 | 66% | 0.662 | S | S | * | * | trans | -81.1 | 71.2 | 178.7 | -163.2 | -177.1 | -162.9 | 161.2 | 10.7 | 111.3 | N529 I533 D674 I675 | N529-R531 PolarHBondContact O-N 3.25Å; R531-I533 VanDerWaalsContact C-N 3.28Å; R531-I533 PolarHBondContact O-N 2.96Å; R531-D674 PolarHBondContact NH1-O 2.87Å; R531-D674 PolarHBondContact NH2-O 2.87Å; R531-I675 VanDerWaalsContact CZ-O 3.29Å; R531-I675 PolarHBondContact NE-O 3.39Å; R531-I675 PolarHBondContact NH2-O 2.73Å; R531-I675 VanDerWaalsContact NH2-O 3.1Å | ||
| 532 | I | 37 | Very low | 30.1 | Very low | 28 Ų | 28 | 117.6 Ų | 117.6 | 14% | 0.144 | 67% | 0.67 | C | S | . | * | trans | -82.5 | 71 | -175.5 | -47.7 | 167.4 | 0 | 0 | 0 | 110.3 | T530 Q642 I644 | T530-I532 VanDerWaalsContact C-N 3.28Å; T530-I532 PolarHBondContact O-N 3.3Å; I532-Q642 HydrophobicContact CD1-CB 4.04Å; I532-Q642 VanDerWaalsContact CD1-CD 3.5Å; I532-Q642 HydrophobicContact CD1-CG 3.89Å; I532-I644 HydrophobicContact CD1-CD1 4.22Å; I532-I644 HydrophobicContact CD1-CG1 4.35Å | ||
| 533 | I | 31.6 | Very low | 30.3 | Very low | 82 Ų | 82 | 114 Ų | 114 | 42% | 0.421 | 67% | 0.671 | S | S | . | * | trans | -122.5 | 110.6 | 164.2 | -60.7 | 178.5 | 0 | 0 | 0 | 107 | R531 P535 | R531-I533 VanDerWaalsContact C-N 3.28Å; R531-I533 PolarHBondContact O-N 2.96Å; I533-P535 WeakPolarHBondContact O-CD 3.34Å | ||
| 534 | C | 27.8 | Very low | 30.6 | Very low | 115 Ų | 115 | 111.7 Ų | 111.7 | 78% | 0.777 | 67% | 0.672 | S | S | * | * | trans | -58.5 | 121.5 | 170.1 | -72.3 | 0 | 0 | 0 | 0 | 108.8 | G536 | C534-G536 PolarHBondContact O-N 2.96Š| ||
| 535 | P | 29.3 | Very low | 31.1 | Very low | 142 Ų | 142 | 110.6 Ų | 110.6 | 92% | 0.922 | 67% | 0.665 | S | S | * | * | trans | -76.1 | 72.4 | -172.7 | 30.3 | -35.6 | 0 | 0 | 0 | 111.9 | I533 | I533-P535 WeakPolarHBondContact O-CD 3.34Š| ||
| 536 | G | 29.2 | Very low | 31.5 | Very low | 56 Ų | 56 | 108.7 Ų | 108.7 | 58% | 0.577 | 67% | 0.672 | S | S | * | * | trans | -109 | 119.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | C534 | C534-G536 PolarHBondContact O-N 2.96Š| ||
| 537 | L | 31.7 | Very low | 32.2 | Very low | 180 Ų | 180 | 106.6 Ų | 106.6 | 94% | 0.942 | 67% | 0.67 | S | S | * | * | trans | 58.7 | 79.8 | 173.3 | -65.6 | 93.2 | 0 | 0 | 0 | 116.6 | ||||
| 538 | R | 27.5 | Very low | 32.2 | Very low | 245 Ų | 245 | 105.4 Ų | 105.4 | 93% | 0.925 | 67% | 0.667 | S | S | * | * | trans | -83.5 | 112.3 | 145.8 | -163.1 | 177 | -162.5 | 167.2 | 8.2 | 108.3 | G540 | R538-G540 PolarHBondContact O-N 2.93Š| ||
| 539 | A | 31 | Very low | 32.3 | Very low | 107 Ų | 107 | 105.8 Ų | 105.8 | 88% | 0.884 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 116.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 540 | G | 30.5 | Very low | 32.5 | Very low | 75 Ų | 75 | 107.4 Ų | 107.4 | 77% | 0.773 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162.5 | -18.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | R538 | R538-G540 PolarHBondContact O-N 2.93Š|
| 541 | L | 28.3 | Very low | 32.5 | Very low | 134 Ų | 134 | 111 Ų | 111 | 70% | 0.702 | 70% | 0.698 | S | S | * | * | trans | -102.9 | 24 | -178.1 | -149.7 | 75.6 | 0 | 0 | 0 | 114.4 | A543 | L541-A543 PolarHBondContact O-N 2.79Å; L541-A543 VanDerWaalsContact O-N 3.09Å | ||
| 542 | A | 27.5 | Very low | 32.6 | Very low | 107 Ų | 107 | 106.4 Ų | 106.4 | 88% | 0.884 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 8.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 543 | A | 30.8 | Very low | 32.6 | Very low | 92 Ų | 92 | 112.2 Ų | 112.2 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | 8.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L541 | L541-A543 PolarHBondContact O-N 2.79Å; L541-A543 VanDerWaalsContact O-N 3.09Å |
| 544 | S | 32.3 | Very low | 32.6 | Very low | 104 Ų | 104 | 115 Ų | 115 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -148 | 26.9 | -173.9 | -56.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 545 | I | 37.9 | Very low | 33 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 66% | 0.656 | 72% | 0.722 | S | S | * | * | trans | -121.2 | 52 | 170.8 | -43.2 | -176.4 | 0 | 0 | 0 | 110.6 | G547 | I545-G547 VanDerWaalsContact C-N 3.31Å; I545-G547 PolarHBondContact O-N 2.88Å | ||
| 546 | A | 32.9 | Very low | 33.5 | Very low | 113 Ų | 113 | 114.9 Ų | 114.9 | 93% | 0.934 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -93 | 56.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 547 | G | 40.2 | Very low | 33.6 | Very low | 71 Ų | 71 | 115.5 Ų | 115.5 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | trans | 154.6 | 90.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I545 | I545-G547 VanDerWaalsContact C-N 3.31Å; I545-G547 PolarHBondContact O-N 2.88Å | ||
| 548 | S | 31.9 | Very low | 33.5 | Very low | 85 Ų | 85 | 114.1 Ų | 114.1 | 59% | 0.594 | 70% | 0.703 | S | S | * | * | trans | -149.1 | 159.8 | 163.1 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 549 | S | 37 | Very low | 33.9 | Very low | 65 Ų | 65 | 108.8 Ų | 108.8 | 46% | 0.455 | 69% | 0.691 | S | S | . | * | trans | -66.5 | 154.2 | -160.6 | -179 | 0 | 0 | 0 | 0 | 115.3 | I551 S552 | S549-I551 PolarHBondContact O-N 3.36Å; S549-I551 VanDerWaalsContact O-N 3.14Å; S549-I551 PolarHBondContact OG-N 3.17Å; S549-S552 WeakPolarHBondContact O-CB 3.42Å; S549-S552 PolarHBondContact O-N 2.97Å | ||
| 550 | I | 39.6 | Very low | 33.8 | Very low | 129 Ų | 129 | 110.9 Ų | 110.9 | 66% | 0.662 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -52.4 | -29.2 | 167.5 | -69.9 | 172.3 | 0 | 0 | 0 | 111.8 | S552 K553 M554 | I550-S552 VanDerWaalsContact C-N 3.32Å; I550-S552 PolarHBondContact O-N 3.12Å; I550-K553 WeakPolarHBondContact O-CA 3.04Å; I550-K553 WeakPolarHBondContact O-CB 3.45Å; I550-K553 PolarHBondContact O-N 3.19Å; I550-M554 PolarHBondContact O-N 3.43Å |
| 551 | I | 38 | Very low | 34 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 61% | 0.61 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -61.4 | -39.4 | 176.9 | -59.6 | 172.1 | 0 | 0 | 0 | 111.3 | S549 K553 M554 L555 | S549-I551 PolarHBondContact O-N 3.36Å; S549-I551 VanDerWaalsContact O-N 3.14Å; S549-I551 PolarHBondContact OG-N 3.17Å; I551-K553 VanDerWaalsContact C-N 3.27Å; I551-K553 PolarHBondContact O-N 2.99Å; I551-M554 PolarHBondContact O-N 2.89Å; I551-L555 HydrophobicContact CG2-CD1 4.46Å; I551-L555 PolarHBondContact O-N 2.89Å; I551-L555 VanDerWaalsContact O-N 3.1Å |
| 552 | S | 33.7 | Very low | 34.2 | Very low | 58 Ų | 58 | 115.9 Ų | 115.9 | 41% | 0.406 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -67.5 | -27.4 | 172.8 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | S549 I550 L556 | S549-S552 WeakPolarHBondContact O-CB 3.42Å; S549-S552 PolarHBondContact O-N 2.97Å; I550-S552 VanDerWaalsContact C-N 3.32Å; I550-S552 PolarHBondContact O-N 3.12Å; S552-L556 WeakPolarHBondContact O-CB 3.49Å; S552-L556 WeakPolarHBondContact O-CG 3.35Å; S552-L556 PolarHBondContact O-N 3.05Å; S552-L556 VanDerWaalsContact O-N 3.16Å |
| 553 | K | 37.1 | Very low | 34.1 | Very low | 149 Ų | 149 | 114.2 Ų | 114.2 | 65% | 0.648 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.8 | -36.5 | 175.1 | -61.7 | -173.1 | 177.7 | -176.9 | 0 | 112.2 | I550 I551 L556 A557 | I550-K553 WeakPolarHBondContact O-CA 3.04Å; I550-K553 WeakPolarHBondContact O-CB 3.45Å; I550-K553 PolarHBondContact O-N 3.19Å; I551-K553 VanDerWaalsContact C-N 3.27Å; I551-K553 PolarHBondContact O-N 2.99Å; K553-L556 PolarHBondContact O-N 3.16Å; K553-A557 WeakPolarHBondContact O-CB 3.48Å; K553-A557 PolarHBondContact O-N 3.12Å; K553-A557 VanDerWaalsContact O-N 3.11Å |
| 554 | M | 31.6 | Very low | 34.3 | Very low | 140 Ų | 140 | 114.6 Ų | 114.6 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.4 | -39.1 | 172.6 | -70.4 | -165.5 | 91.4 | 0 | 0 | 112.5 | I550 I551 L556 A557 | I550-M554 PolarHBondContact O-N 3.43Å; I551-M554 PolarHBondContact O-N 2.89Å; M554-L556 VanDerWaalsContact C-N 3.28Å; M554-L556 PolarHBondContact O-N 2.82Å; M554-A557 WeakPolarHBondContact O-CB 3.41Å; M554-A557 PolarHBondContact O-N 3.11Å; M554-A557 VanDerWaalsContact O-N 3.09Å |
| 555 | L | 35.9 | Very low | 34 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 69% | 0.686 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67 | -27.9 | 175.9 | -73.6 | 169.8 | 0 | 0 | 0 | 113.2 | I551 | I551-L555 HydrophobicContact CG2-CD1 4.46Å; I551-L555 PolarHBondContact O-N 2.89Å; I551-L555 VanDerWaalsContact O-N 3.1Å |
| 556 | L | 39.1 | Very low | 33.9 | Very low | 125 Ų | 125 | 114.1 Ų | 114.1 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -80.7 | -16.7 | 170.8 | -77.4 | 166.3 | 0 | 0 | 0 | 113.9 | S552 K553 M554 N558 | S552-L556 WeakPolarHBondContact O-CB 3.49Å; S552-L556 WeakPolarHBondContact O-CG 3.35Å; S552-L556 PolarHBondContact O-N 3.05Å; S552-L556 VanDerWaalsContact O-N 3.16Å; K553-L556 PolarHBondContact O-N 3.16Å; M554-L556 VanDerWaalsContact C-N 3.28Å; M554-L556 PolarHBondContact O-N 2.82Å; L556-N558 VanDerWaalsContact C-N 3.34Å |
| 557 | A | 31.3 | Very low | 33.8 | Very low | 68 Ų | 68 | 116.6 Ų | 116.6 | 56% | 0.562 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -78.8 | -14.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | K553 M554 | K553-A557 WeakPolarHBondContact O-CB 3.48Å; K553-A557 PolarHBondContact O-N 3.12Å; K553-A557 VanDerWaalsContact O-N 3.11Å; M554-A557 WeakPolarHBondContact O-CB 3.41Å; M554-A557 PolarHBondContact O-N 3.11Å; M554-A557 VanDerWaalsContact O-N 3.09Å |
| 558 | N | 30.4 | Very low | 33.6 | Very low | 152 Ų | 152 | 120.2 Ų | 120.2 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 10.3 | 176.3 | -79.6 | 10 | 0 | 0 | 0 | 113.8 | L556 | L556-N558 VanDerWaalsContact C-N 3.34Š|
| 559 | I | 35.4 | Very low | 33.9 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 68% | 0.677 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -109.7 | 80.9 | 170.3 | -54.4 | -179.6 | 0 | 0 | 0 | 107.6 | ||
| 560 | D | 28 | Very low | 34.3 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | trans | -71.8 | 126.1 | -168.9 | -149.6 | 11.2 | 0 | 0 | 0 | 111.7 | ||||
| 561 | P | 34.4 | Very low | 35.5 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 62% | 0.623 | 69% | 0.691 | S | S | * | * | trans | -91 | 143.4 | -174.5 | 34.5 | -34 | 0 | 0 | 0 | 113.1 | ||||
| 562 | F | 34.2 | Very low | 37.5 | Very low | 218 Ų | 218 | 124.6 Ų | 124.6 | 96% | 0.956 | 68% | 0.677 | S | S | * | * | trans | 57.7 | 70.5 | 170.6 | -78.9 | -87.3 | 0 | 0 | 0 | 116.3 | ||||
| 563 | G | 24.2 | Very low | 40 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | trans | -120.2 | 127.2 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T565 | G563-T565 PolarHBondContact O-N 2.84Š| ||
| 564 | A | 35.3 | Very low | 42.5 | Very low | 101 Ų | 101 | 124 Ų | 124 | 84% | 0.835 | 67% | 0.671 | S | S | * | * | trans | -83.3 | 109.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P566 | A564-P566 WeakPolarHBondContact O-CD 3.26Š| ||
| 565 | T | 25.5 | Very low | 45.3 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -84.8 | 104.8 | 163.7 | 39.5 | 0 | 0 | 0 | 0 | 109.9 | G563 | G563-T565 PolarHBondContact O-N 2.84Š| ||
| 566 | P | 37 | Very low | 48 | Very low | 93 Ų | 93 | 116.7 Ų | 116.7 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | trans | -63 | 159 | 151.1 | 31.6 | -34.5 | 0 | 0 | 0 | 108.7 | A564 | A564-P566 WeakPolarHBondContact O-CD 3.26Š| ||
| 567 | F | 30.9 | Very low | 50.6 | Low | 166 Ų | 166 | 111.9 Ų | 111.9 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | trans | 63.9 | 112.3 | -168.6 | -47.8 | -85.9 | 0 | 0 | 0 | 112.2 | ||||
| 568 | I | 35.6 | Very low | 53.7 | Low | 146 Ų | 146 | 108.6 Ų | 108.6 | 75% | 0.749 | 58% | 0.582 | S | S | * | * | cis | -113.5 | 112.5 | 16.8 | -56.5 | 168.5 | 0 | 0 | 0 | 110.4 | E570 | I568-E570 HydrophobicContact CG2-CB 4.14Š| ||
| 569 | R | 37.5 | Very low | 56.7 | Low | 223 Ų | 223 | 101.6 Ų | 101.6 | 84% | 0.842 | 54% | 0.544 | S | S | * | . | trans | -106.7 | 12.9 | 163.3 | -75.8 | -168.8 | 69.5 | -169.2 | 1 | 112.5 | G571 | R569-G571 PolarHBondContact O-N 3.18Å; R569-G571 VanDerWaalsContact O-N 3.09Å | ||
| 570 | E | 45.9 | Very low | 59.5 | Low | 143 Ų | 143 | 95.4 Ų | 95.4 | 67% | 0.668 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -80.6 | 93.7 | -173.2 | -60.9 | -173.7 | 142.5 | 0 | 0 | 111.1 | I568 | I568-E570 HydrophobicContact CG2-CB 4.14Š|
| 571 | G | 64.5 | Low | 62.6 | Low | 41 Ų | 41 | 89.1 Ų | 89.1 | 42% | 0.423 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 120.9 | -18.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | R569 M573 | R569-G571 PolarHBondContact O-N 3.18Å; R569-G571 VanDerWaalsContact O-N 3.09Å; G571-M573 PolarHBondContact O-N 2.73Å |
| 572 | Y | 79.8 | Confident | 65.5 | Low | 84 Ų | 84 | 84.6 Ų | 84.6 | 33% | 0.329 | 45% | 0.448 | S | S | . | . | trans | -77.3 | 115.9 | 174.5 | -77.3 | -87.7 | 0 | 0 | 0 | 111.2 | M267 T268 Y269 V741 K743 | M267-Y572 HydrophobicContact CB-CD1 4.22Å; T268-Y572 WeakPolarHBondContact O-CA 3.46Å; Y269-Y572 HydrophobicContact CD2-CD2 4.29Å; Y269-Y572 HydrophobicContact CD2-CE2 4.31Å; Y269-Y572 HydrophobicContact CG-CE2 4.38Å; Y572-V741 HydrophobicContact CE1-CB 4.31Å; Y572-V741 HydrophobicContact CE1-CG1 4.22Å; Y572-V741 WeakPolarHBondContact OH-CG1 3.5Å; Y572-K743 HydrophobicContact CE1-CB 4.31Å | ||
| 573 | M | 86.8 | Confident | 68.3 | Low | 105 Ų | 105 | 74.2 Ų | 74.2 | 52% | 0.517 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.3 | 174.1 | -61.9 | -172.2 | -68.4 | 0 | 0 | 110.6 | M267 T268 G571 K575 | M267-M573 CarbonylContact C-O 3.49Å; M267-M573 WeakPolarHBondContact CA-O 3.32Å; T268-M573 PolarHBondContact N-O 2.97Å; T268-M573 PolarHBondContact O-N 3Å; G571-M573 PolarHBondContact O-N 2.73Å; M573-K575 PolarHBondContact O-N 3.46Å |
| 574 | E | 90.3 | Very high | 71.5 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 41% | 0.411 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.1 | 167.6 | -178.7 | 172.8 | -119.4 | 0 | 0 | 109 | S265 M267 K747 | S265-E574 VanDerWaalsContact CB-OE1 3.27Å; S265-E574 WeakPolarHBondContact CB-OE1 3.34Å; S265-E574 PolarHBondContact OG-OE1 3.41Å; M267-E574 HydrophobicContact SD-CB 3.88Å; E574-K747 WeakPolarHBondContact OE1-CD 3.27Å; E574-K747 WeakPolarHBondContact OE1-CE 3.39Å; E574-K747 IonicContact OE1-NZ 2.69Å; E574-K747 PolarHBondContact OE1-NZ 2.81Å; E574-K747 IonicContact OE2-NZ 3.93Å; E574-K747 PolarHBondContact OE2-NZ 3.17Å |
| 575 | K | 90.4 | Very high | 74.1 | Confident | 94 Ų | 94 | 66.1 Ų | 66.1 | 41% | 0.409 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -44.4 | 176.4 | -64.7 | -83.5 | -174.7 | 167.7 | 0 | 111.3 | I266 T268 E270 M573 | I266-K575 PolarHBondContact O-N 3.44Å; T268-K575 HydrophobicContact CG2-CG 3.68Å; T268-K575 WeakPolarHBondContact OG1-CE 3.27Å; T268-K575 VanDerWaalsContact OG1-CG 3.26Å; T268-K575 WeakPolarHBondContact OG1-CG 3.49Å; E270-K575 WeakPolarHBondContact OE1-CE 3.36Å; E270-K575 IonicContact OE1-NZ 3Å; E270-K575 PolarHBondContact OE1-NZ 3.32Å; M573-K575 PolarHBondContact O-N 3.46Å |
| 576 | C | 91.8 | Very high | 76.9 | Confident | 25 Ų | 25 | 60 Ų | 60 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 178.3 | -177.8 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | I266 | I266-C576 PolarHBondContact N-O 3.45Å |
| 577 | V | 94.3 | Very high | 79.1 | Confident | 23 Ų | 23 | 56.2 Ų | 56.2 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 116.7 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 110 | R263 W264 N579 K747 | R263-V577 HydrophobicContact CB-CG1 4.18Å; W264-V577 CarbonylContact O-C 3.53Å; W264-V577 VanDerWaalsContact O-CA 3.32Å; W264-V577 WeakPolarHBondContact O-CA 3.46Å; V577-N579 PolarHBondContact O-ND2 3.04Å; V577-K747 HydrophobicContact CG1-CD 4.17Å; V577-K747 HydrophobicContact CG2-CD 3.66Å |
| 578 | M | 94.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 136.9 | 175.1 | 177.5 | -174.8 | 79.6 | 0 | 0 | 111.1 | W264 I266 F582 N656 L686 V730 I744 | W264-M578 HydrophobicContact CB-CB 4.21Å; W264-M578 HydrophobicContact CB-CE 3.7Å; W264-M578 HydrophobicContact CG-CE 3.75Å; W264-M578 PolarHBondContact N-O 2.95Å; W264-M578 PolarHBondContact O-N 3.36Å; I266-M578 HydrophobicContact CD1-CB 3.89Å; I266-M578 HydrophobicContact CD1-SD 4.43Å; I266-M578 HydrophobicContact CG1-CB 4.04Å; M578-F582 HydrophobicContact SD-CB 3.53Å; M578-F582 VanDerWaalsContact SD-CB 3.53Å; M578-F582 PolarHBondContact SD-N 2.86Å; M578-N656 HydrophobicContact CE-CB 4.42Å; M578-L686 HydrophobicContact CE-CD1 4.19Å; M578-L686 HydrophobicContact CE-CD2 3.56Å; M578-V730 HydrophobicContact CB-CG1 3.68Å; M578-V730 HydrophobicContact CG-CG1 4.15Å; M578-I744 HydrophobicContact CE-CG2 3.97Å |
| 579 | N | 94.2 | Very high | 84.3 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -123.8 | -26.7 | 178.7 | -42.9 | -93.4 | 0 | 0 | 0 | 111 | R263 V577 N656 D731 | R263-N579 PolarHBondContact NE-OD1 3.43Å; V577-N579 PolarHBondContact O-ND2 3.04Å; N579-N656 PolarHBondContact O-ND2 3.07Å; N579-D731 WeakPolarHBondContact CA-OD2 3.21Å; N579-D731 WeakPolarHBondContact CB-OD2 3.4Å; N579-D731 PolarHBondContact N-OD1 2.96Å; N579-D731 PolarHBondContact N-OD2 3.41Å; N579-D731 PolarHBondContact ND2-OD2 3.19Å |
| 580 | N | 93.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -116 | -63.4 | -177 | -59.9 | -0.4 | 0 | 0 | 0 | 111.9 | D198 L230 N656 I657 D731 | D198-N580 WeakPolarHBondContact CB-ND2 3.46Å; L230-N580 WeakPolarHBondContact CD1-OD1 3.49Å; L230-N580 WeakPolarHBondContact CD2-OD1 3.43Å; L230-N580 WeakPolarHBondContact CG-OD1 3.3Å; N580-N656 PolarHBondContact O-N 2.81Å; N580-I657 HydrophobicContact CB-CD1 3.71Å; N580-I657 HydrophobicContact CB-CG1 4.03Å; N580-I657 PolarHBondContact O-N 3.25Å; N580-D731 WeakPolarHBondContact CA-OD1 3.29Å; N580-D731 VanDerWaalsContact CB-OD1 3.31Å; N580-D731 WeakPolarHBondContact CB-OD1 3.42Å; N580-D731 PolarHBondContact N-OD1 2.93Å; N580-D731 PolarHBondContact N-OD2 3.13Å |
| 581 | Y | 93.6 | Very high | 88.4 | Confident | 21 Ų | 21 | 26 Ų | 26 | 8% | 0.082 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 155.2 | -177.3 | 60 | -95.1 | 0 | 0 | 0 | 113.6 | V654 Y660 D731 | Y581-V654 CarbonylContact C-O 3.46Å; Y581-V654 VanDerWaalsContact CA-O 3.22Å; Y581-V654 WeakPolarHBondContact CA-O 3.43Å; Y581-V654 WeakPolarHBondContact CB-O 3.36Å; Y581-Y660 AromaticContact CD1-CD2 3.77Å; Y581-Y660 HydrophobicContact CD1-CD2 3.77Å; Y581-Y660 HydrophobicContact CD1-CE2 4.35Å; Y581-Y660 AromaticContact CD2-CD2 3.62Å; Y581-Y660 HydrophobicContact CD2-CD2 3.62Å; Y581-Y660 AromaticContact CD2-CE2 3.32Å; Y581-Y660 HydrophobicContact CD2-CE2 3.32Å; Y581-Y660 HydrophobicContact CE1-CD2 4.04Å; Y581-Y660 AromaticContact CE2-CD2 3.87Å; Y581-Y660 HydrophobicContact CE2-CD2 3.87Å; Y581-Y660 AromaticContact CE2-CE2 3.56Å; Y581-Y660 HydrophobicContact CE2-CE2 3.56Å; Y581-Y660 AromaticContact CG-CD2 3.56Å; Y581-Y660 HydrophobicContact CG-CD2 3.56Å; Y581-Y660 AromaticContact CG-CE2 3.76Å; Y581-Y660 HydrophobicContact CG-CE2 3.76Å; Y581-D731 PolarHBondContact N-OD1 2.91Å; Y581-D731 PolarHBondContact O-N 3.32Å |
| 582 | F | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144 | 168.3 | 165.9 | -77 | 0 | 0 | 0 | 108.4 | I266 M578 I584 A653 V654 I718 I728 Q729 V730 I742 I744 | I266-F582 HydrophobicContact CD1-CD2 4.41Å; M578-F582 HydrophobicContact SD-CB 3.53Å; M578-F582 VanDerWaalsContact SD-CB 3.53Å; M578-F582 PolarHBondContact SD-N 2.86Å; F582-I584 HydrophobicContact CE1-CB 3.89Å; F582-I584 HydrophobicContact CE1-CG2 3.93Å; F582-I584 HydrophobicContact CZ-CB 4.14Å; F582-A653 WeakPolarHBondContact O-CA 3.21Å; F582-V654 HydrophobicContact CB-CB 4.29Å; F582-V654 HydrophobicContact CD1-CB 4.33Å; F582-V654 HydrophobicContact CD1-CG2 4.13Å; F582-V654 PolarHBondContact N-O 3.48Å; F582-V654 PolarHBondContact O-N 2.86Å; F582-I718 HydrophobicContact CD1-CD1 4.3Å; F582-I718 HydrophobicContact CE1-CD1 3.52Å; F582-I718 HydrophobicContact CZ-CD1 3.98Å; F582-I728 HydrophobicContact CE2-CB 4.14Å; F582-I728 HydrophobicContact CE2-CD1 4.03Å; F582-I728 HydrophobicContact CE2-CG2 4.35Å; F582-I728 HydrophobicContact CZ-CB 4.2Å; F582-I728 HydrophobicContact CZ-CG2 3.96Å; F582-Q729 CarbonylContact C-O 3.57Å; F582-Q729 VanDerWaalsContact CA-O 3.3Å; F582-Q729 WeakPolarHBondContact CA-O 3.28Å; F582-V730 HydrophobicContact CB-CG2 4.35Å; F582-V730 HydrophobicContact CD2-CG2 3.7Å; F582-V730 HydrophobicContact CG-CG2 4.47Å; F582-I742 HydrophobicContact CE2-CD1 4.04Å; F582-I742 HydrophobicContact CE2-CG2 4.23Å; F582-I742 HydrophobicContact CZ-CD1 3.77Å; F582-I744 HydrophobicContact CB-CD1 3.98Å; F582-I744 HydrophobicContact CD1-CD1 4.07Å; F582-I744 HydrophobicContact CD2-CD1 4.12Å; F582-I744 HydrophobicContact CG-CD1 3.81Å |
| 583 | G | 92.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 144.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I652 I728 Q729 | G583-I652 WeakPolarHBondContact CA-O 3.05Å; G583-I728 CarbonylContact O-C 3.51Å; G583-I728 VanDerWaalsContact O-CA 3.24Å; G583-I728 WeakPolarHBondContact O-CA 3.4Å; G583-Q729 PolarHBondContact N-O 2.71Å; G583-Q729 PolarHBondContact O-N 2.8Å |
| 584 | I | 92.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.4 | 173.8 | -179.3 | 162.7 | 0 | 0 | 0 | 109.8 | F582 V635 G651 I652 I718 I720 V726 I728 | F582-I584 HydrophobicContact CE1-CB 3.89Å; F582-I584 HydrophobicContact CE1-CG2 3.93Å; F582-I584 HydrophobicContact CZ-CB 4.14Å; I584-V635 HydrophobicContact CD1-CG2 3.96Å; I584-G651 CarbonylContact O-C 3.54Å; I584-G651 WeakPolarHBondContact O-CA 3.31Å; I584-I652 HydrophobicContact CG2-CB 3.69Å; I584-I652 HydrophobicContact CG2-CD1 4.43Å; I584-I652 HydrophobicContact CG2-CG1 4.2Å; I584-I652 PolarHBondContact N-O 3.29Å; I584-I652 PolarHBondContact O-N 3.26Å; I584-I652 VanDerWaalsContact O-N 3.09Å; I584-I718 HydrophobicContact CD1-CG2 4.16Å; I584-I720 HydrophobicContact CD1-CD1 4.15Å; I584-I720 HydrophobicContact CD1-CG1 4.16Å; I584-V726 HydrophobicContact CD1-CB 4.42Å; I584-V726 HydrophobicContact CD1-CG1 3.9Å; I584-V726 HydrophobicContact CG1-CG1 3.58Å; I584-I728 HydrophobicContact CB-CG2 3.87Å; I584-I728 HydrophobicContact CD1-CG2 3.84Å; I584-I728 HydrophobicContact CG1-CG2 3.72Å |
| 585 | G | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.1 | -131.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D587 A588 K589 P727 | G585-D587 PolarHBondContact O-N 3.49Å; G585-A588 PolarHBondContact O-N 3.01Å; G585-K589 PolarHBondContact O-N 2.91Å; G585-P727 PolarHBondContact N-O 3.34Å |
| 586 | L | 84.4 | Confident | 88.5 | Confident | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -53.5 | -49.4 | -165.5 | -175.7 | 64.9 | 0 | 0 | 0 | 115.4 | K589 I590 E622 Q650 M697 | L586-K589 PolarHBondContact O-N 3.37Å; L586-I590 HydrophobicContact CG-CD1 4.28Å; L586-I590 WeakPolarHBondContact O-CG1 3.36Å; L586-I590 PolarHBondContact O-N 3Å; L586-E622 HydrophobicContact CD1-CB 4.1Å; L586-Q650 HydrophobicContact CB-CB 4.22Å; L586-Q650 WeakPolarHBondContact CB-O 3.48Å; L586-Q650 HydrophobicContact CD2-CB 4.19Å; L586-Q650 PolarHBondContact N-O 2.91Å; L586-M697 HydrophobicContact CD2-SD 4.27Å |
| 587 | D | 83.8 | Confident | 87.9 | Confident | 12 Ų | 12 | 17.6 Ų | 17.6 | 6% | 0.064 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | -179.7 | -178.7 | 79.3 | 0 | 0 | 0 | 112.1 | G585 K589 I590 S591 Y660 M697 Q729 | G585-D587 PolarHBondContact O-N 3.49Å; D587-K589 VanDerWaalsContact C-N 3.31Å; D587-K589 PolarHBondContact O-N 3.24Å; D587-I590 PolarHBondContact O-N 2.9Å; D587-S591 WeakPolarHBondContact O-CB 3.47Å; D587-S591 PolarHBondContact O-N 3.1Å; D587-S591 PolarHBondContact O-OG 3.33Å; D587-Y660 VanDerWaalsContact CB-OH 3.24Å; D587-Y660 WeakPolarHBondContact CB-OH 3.12Å; D587-Y660 PolarHBondContact OD2-OH 2.58Å; D587-Y660 VanDerWaalsContact OD2-OH 3.09Å; D587-M697 HydrophobicContact CB-CE 3.86Å; D587-M697 WeakPolarHBondContact OD1-CE 3.44Å; D587-Q729 PolarHBondContact OD2-NE2 2.87Å; D587-Q729 VanDerWaalsContact OD2-NE2 3.14Å |
| 588 | A | 88.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.1 | -38 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G585 S591 L592 P727 I728 Q729 | G585-A588 PolarHBondContact O-N 3.01Å; A588-S591 PolarHBondContact O-N 2.92Å; A588-L592 VanDerWaalsContact O-CB 3.25Å; A588-L592 WeakPolarHBondContact O-CB 3.47Å; A588-L592 PolarHBondContact O-N 2.75Å; A588-P727 HydrophobicContact CB-CB 4.08Å; A588-P727 VanDerWaalsContact CB-O 3.32Å; A588-P727 WeakPolarHBondContact CB-O 3.48Å; A588-I728 VanDerWaalsContact CB-C 3.46Å; A588-Q729 HydrophobicContact CB-CB 3.94Å |
| 589 | K | 86.4 | Confident | 85.9 | Confident | 31 Ų | 31 | 28.8 Ų | 28.8 | 14% | 0.135 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 173.8 | -164.5 | -154.1 | 174.2 | -165.2 | 0 | 111.9 | G585 L586 D587 S591 L592 E593 E622 T627 Y628 P727 | G585-K589 PolarHBondContact O-N 2.91Å; L586-K589 PolarHBondContact O-N 3.37Å; D587-K589 VanDerWaalsContact C-N 3.31Å; D587-K589 PolarHBondContact O-N 3.24Å; K589-S591 PolarHBondContact O-N 2.64Å; K589-L592 PolarHBondContact O-N 3.05Å; K589-E593 PolarHBondContact O-N 3.02Å; K589-E622 VanDerWaalsContact CD-OE2 3.29Å; K589-E622 WeakPolarHBondContact CD-OE2 3.42Å; K589-E622 WeakPolarHBondContact CE-OE2 3.46Å; K589-E622 IonicContact NZ-OE1 3.45Å; K589-E622 PolarHBondContact NZ-OE1 3.44Å; K589-E622 IonicContact NZ-OE2 2.77Å; K589-E622 PolarHBondContact NZ-OE2 2.88Å; K589-T627 PolarHBondContact NZ-OG1 2.77Å; K589-Y628 HydrophobicContact CD-CD2 4.13Å; K589-Y628 HydrophobicContact CD-CE2 4.05Å; K589-Y628 HydrophobicContact CG-CE2 4.36Å; K589-P727 HydrophobicContact CB-CB 4.34Å; K589-P727 HydrophobicContact CB-CG 4Å |
| 590 | I | 84.1 | Confident | 85.2 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 6% | 0.056 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 176.5 | -68.6 | 163.6 | 0 | 0 | 0 | 110.3 | L586 D587 F594 Y615 L618 E622 | L586-I590 HydrophobicContact CG-CD1 4.28Å; L586-I590 WeakPolarHBondContact O-CG1 3.36Å; L586-I590 PolarHBondContact O-N 3Å; D587-I590 PolarHBondContact O-N 2.9Å; I590-F594 PolarHBondContact O-N 2.91Å; I590-Y615 HydrophobicContact CG2-CD1 3.97Å; I590-Y615 HydrophobicContact CG2-CE1 4.13Å; I590-L618 HydrophobicContact CG2-CB 4.14Å; I590-E622 HydrophobicContact CD1-CB 4.26Å; I590-E622 HydrophobicContact CD1-CG 4.5Å; I590-E622 HydrophobicContact CG1-CB 3.98Å; I590-E622 HydrophobicContact CG1-CG 3.67Å |
| 591 | S | 85.4 | Confident | 84.2 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77 | -32.4 | -176.1 | -52 | 0 | 0 | 0 | 0 | 113 | D587 A588 K589 F594 N595 Y615 Q729 | D587-S591 WeakPolarHBondContact O-CB 3.47Å; D587-S591 PolarHBondContact O-N 3.1Å; D587-S591 PolarHBondContact O-OG 3.33Å; A588-S591 PolarHBondContact O-N 2.92Å; K589-S591 PolarHBondContact O-N 2.64Å; S591-F594 WeakPolarHBondContact O-CB 3.46Å; S591-F594 PolarHBondContact O-N 2.93Å; S591-N595 PolarHBondContact O-N 2.89Å; S591-Y615 WeakPolarHBondContact CB-OH 3.37Å; S591-Y615 PolarHBondContact OG-OH 3.08Å; S591-Q729 VanDerWaalsContact CB-CD 3.42Å; S591-Q729 PolarHBondContact OG-NE2 3Å |
| 592 | L | 85.4 | Confident | 82.9 | Confident | 26 Ų | 26 | 41 Ų | 41 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 169.8 | -178.1 | 62.3 | 0 | 0 | 0 | 111.4 | A588 K589 F594 N595 N596 P727 A734 I736 | A588-L592 VanDerWaalsContact O-CB 3.25Å; A588-L592 WeakPolarHBondContact O-CB 3.47Å; A588-L592 PolarHBondContact O-N 2.75Å; K589-L592 PolarHBondContact O-N 3.05Å; L592-F594 PolarHBondContact O-N 2.91Å; L592-N595 PolarHBondContact O-N 3.48Å; L592-N596 VanDerWaalsContact O-CG 3.23Å; L592-N596 PolarHBondContact O-N 2.91Å; L592-N596 PolarHBondContact O-OD1 3.47Å; L592-P727 HydrophobicContact CD2-CB 4.48Å; L592-A734 HydrophobicContact CB-CB 4.08Å; L592-A734 HydrophobicContact CD1-CB 4.45Å; L592-I736 HydrophobicContact CD2-CD1 3.45Å; L592-I736 VanDerWaalsContact CD2-CD1 3.45Å; L592-I736 HydrophobicContact CD2-CG1 3.87Å |
| 593 | E | 83.6 | Confident | 81.6 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.3 | -31.3 | 172.6 | -76.6 | -161.1 | -166.3 | 0 | 0 | 112.6 | K589 K597 L618 K621 | K589-E593 PolarHBondContact O-N 3.02Å; E593-K597 WeakPolarHBondContact O-CB 3.42Å; E593-K597 WeakPolarHBondContact O-CG 3.4Å; E593-K597 PolarHBondContact O-N 3.41Å; E593-L618 HydrophobicContact CB-CD1 4.41Å; E593-L618 HydrophobicContact CB-CD2 3.87Å; E593-L618 WeakPolarHBondContact OE2-CD2 3.36Å; E593-K621 IonicContact OE1-NZ 2.69Å; E593-K621 PolarHBondContact OE1-NZ 3.5Å; E593-K621 IonicContact OE2-NZ 3.69Å; E593-K621 PolarHBondContact OE2-NZ 3.26Å |
| 594 | F | 80.8 | Confident | 80.1 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 8% | 0.079 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69 | -44.4 | 172.8 | 178.3 | -91.6 | 0 | 0 | 0 | 111.9 | I590 S591 L592 K597 R598 N611 W614 Y615 L618 | I590-F594 PolarHBondContact O-N 2.91Å; S591-F594 WeakPolarHBondContact O-CB 3.46Å; S591-F594 PolarHBondContact O-N 2.93Å; L592-F594 PolarHBondContact O-N 2.91Å; F594-K597 PolarHBondContact O-N 3.12Å; F594-R598 WeakPolarHBondContact O-CB 3.45Å; F594-R598 PolarHBondContact O-N 3.47Å; F594-N611 HydrophobicContact CE2-CB 4.25Å; F594-N611 WeakPolarHBondContact CE2-O 3.36Å; F594-N611 HydrophobicContact CZ-CB 3.94Å; F594-W614 HydrophobicContact CD2-CB 4.14Å; F594-W614 HydrophobicContact CE2-CB 3.93Å; F594-Y615 HydrophobicContact CB-CD2 4.42Å; F594-Y615 HydrophobicContact CB-CE1 4.33Å; F594-Y615 HydrophobicContact CB-CE2 3.99Å; F594-Y615 HydrophobicContact CD1-CD2 4.05Å; F594-Y615 AromaticContact CD1-CE2 3.31Å; F594-Y615 HydrophobicContact CD1-CE2 3.31Å; F594-Y615 AromaticContact CD1-CZ 3.85Å; F594-Y615 AromaticContact CD2-CD2 3.44Å; F594-Y615 HydrophobicContact CD2-CD2 3.44Å; F594-Y615 VanDerWaalsContact CD2-CD2 3.44Å; F594-Y615 AromaticContact CD2-CE2 3.61Å; F594-Y615 HydrophobicContact CD2-CE2 3.61Å; F594-Y615 HydrophobicContact CD2-CG 4.13Å; F594-Y615 HydrophobicContact CE1-CD2 4.19Å; F594-Y615 AromaticContact CE1-CE2 3.61Å; F594-Y615 HydrophobicContact CE1-CE2 3.61Å; F594-Y615 AromaticContact CE2-CD2 3.61Å; F594-Y615 HydrophobicContact CE2-CD2 3.61Å; F594-Y615 AromaticContact CE2-CE2 3.88Å; F594-Y615 HydrophobicContact CE2-CE2 3.88Å; F594-Y615 AromaticContact CG-CD2 3.68Å; F594-Y615 HydrophobicContact CG-CD2 3.68Å; F594-Y615 HydrophobicContact CG-CE1 4.5Å; F594-Y615 AromaticContact CG-CE2 3.31Å; F594-Y615 HydrophobicContact CG-CE2 3.31Å; F594-Y615 HydrophobicContact CG-CG 4.42Å; F594-Y615 AromaticContact CG-CZ 3.77Å; F594-Y615 AromaticContact CZ-CD2 3.99Å; F594-Y615 HydrophobicContact CZ-CD2 3.99Å; F594-Y615 AromaticContact CZ-CE2 3.89Å; F594-Y615 HydrophobicContact CZ-CE2 3.89Å; F594-L618 VanDerWaalsContact CA-CD1 3.49Å; F594-L618 HydrophobicContact CB-CD1 3.61Å; F594-L618 HydrophobicContact CD2-CD1 4.14Å; F594-L618 HydrophobicContact CG-CD1 4.39Å |
| 595 | N | 81.2 | Confident | 78.6 | Confident | 34 Ų | 34 | 52.2 Ų | 52.2 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.9 | -46.5 | -179.6 | -168.6 | 65.9 | 0 | 0 | 0 | 111.5 | S591 L592 K597 R598 E599 | S591-N595 PolarHBondContact O-N 2.89Å; L592-N595 PolarHBondContact O-N 3.48Å; N595-K597 VanDerWaalsContact C-N 3.33Å; N595-K597 PolarHBondContact O-N 3.18Å; N595-R598 WeakPolarHBondContact O-CA 3.36Å; N595-R598 VanDerWaalsContact O-CB 3.32Å; N595-R598 WeakPolarHBondContact O-CB 3.32Å; N595-R598 PolarHBondContact O-N 3.47Å; N595-E599 PolarHBondContact ND2-OE1 2.93Å; N595-E599 PolarHBondContact O-N 3.09Å |
| 596 | N | 83.1 | Confident | 77.3 | Confident | 70 Ų | 70 | 59 Ų | 59 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 177.6 | -63.6 | 4.8 | 0 | 0 | 0 | 111 | L592 R598 E599 E600 | L592-N596 VanDerWaalsContact O-CG 3.23Å; L592-N596 PolarHBondContact O-N 2.91Å; L592-N596 PolarHBondContact O-OD1 3.47Å; N596-R598 VanDerWaalsContact C-N 3.27Å; N596-R598 PolarHBondContact O-N 3.33Å; N596-E599 PolarHBondContact O-N 2.96Å; N596-E600 WeakPolarHBondContact O-CG 3.46Å; N596-E600 PolarHBondContact O-N 3.01Å |
| 597 | K | 78.6 | Confident | 76.6 | Confident | 68 Ų | 68 | 60 Ų | 60 | 30% | 0.296 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.1 | -27.3 | 175.5 | -75.9 | 176.4 | -179 | 171.7 | 0 | 114 | E593 F594 N595 H601 L618 | E593-K597 WeakPolarHBondContact O-CB 3.42Å; E593-K597 WeakPolarHBondContact O-CG 3.4Å; E593-K597 PolarHBondContact O-N 3.41Å; F594-K597 PolarHBondContact O-N 3.12Å; N595-K597 VanDerWaalsContact C-N 3.33Å; N595-K597 PolarHBondContact O-N 3.18Å; K597-H601 PolarHBondContact O-N 3.47Å; K597-L618 HydrophobicContact CD-CD2 4.15Å |
| 598 | R | 73.4 | Confident | 75.9 | Confident | 129 Ų | 129 | 61.9 Ų | 61.9 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -75.2 | -33.4 | 175.9 | 179.9 | -178.8 | 179.7 | -151.6 | -0.9 | 111.9 | F594 N595 N596 H601 P602 C605 | F594-R598 WeakPolarHBondContact O-CB 3.45Å; F594-R598 PolarHBondContact O-N 3.47Å; N595-R598 WeakPolarHBondContact O-CA 3.36Å; N595-R598 VanDerWaalsContact O-CB 3.32Å; N595-R598 WeakPolarHBondContact O-CB 3.32Å; N595-R598 PolarHBondContact O-N 3.47Å; N596-R598 VanDerWaalsContact C-N 3.27Å; N596-R598 PolarHBondContact O-N 3.33Å; R598-H601 CarbonylContact O-C 3.58Å; R598-P602 WeakPolarHBondContact O-CA 3.41Å; R598-C605 HydrophobicContact CB-CB 4.41Å; R598-C605 HydrophobicContact CG-CB 3.9Å |
| 599 | E | 75.3 | Confident | 75.1 | Confident | 130 Ų | 130 | 66.8 Ų | 66.8 | 61% | 0.607 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -75.1 | -42.4 | 173.2 | -69.6 | 174.9 | -170 | 0 | 0 | 111.6 | N595 N596 H601 P602 | N595-E599 PolarHBondContact ND2-OE1 2.93Å; N595-E599 PolarHBondContact O-N 3.09Å; N596-E599 PolarHBondContact O-N 2.96Å; E599-H601 VanDerWaalsContact C-N 3.3Å; E599-H601 PolarHBondContact O-N 2.86Å; E599-P602 WeakPolarHBondContact O-CD 3.39Å |
| 600 | E | 78.3 | Confident | 74.5 | Confident | 127 Ų | 127 | 71.2 Ų | 71.2 | 59% | 0.593 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.7 | -38.7 | 171.5 | -73.2 | 171.9 | 179.1 | 0 | 0 | 112.7 | N596 | N596-E600 WeakPolarHBondContact O-CG 3.46Å; N596-E600 PolarHBondContact O-N 3.01Å |
| 601 | H | 72.6 | Confident | 74 | Confident | 81 Ų | 81 | 71.3 Ų | 71.3 | 38% | 0.375 | 34% | 0.336 | S | S | . | . | trans | -136.5 | 64.4 | -171.3 | -68.5 | -21.5 | 0 | 0 | 0 | 114.8 | K597 R598 E599 E603 K604 C605 | K597-H601 PolarHBondContact O-N 3.47Å; R598-H601 CarbonylContact O-C 3.58Å; E599-H601 VanDerWaalsContact C-N 3.3Å; E599-H601 PolarHBondContact O-N 2.86Å; H601-E603 VanDerWaalsContact C-N 3.27Å; H601-E603 PolarHBondContact O-N 3.32Å; H601-E603 VanDerWaalsContact O-N 3.14Å; H601-K604 HydrophobicContact CB-CB 4.13Å; H601-K604 HydrophobicContact CB-CD 3.84Å; H601-K604 HydrophobicContact CB-CG 4.04Å; H601-K604 PolarHBondContact CD2-NZ 3.16Å; H601-K604 PolarHBondContact NE2-NZ 3.39Å; H601-K604 PolarHBondContact O-N 3.18Å; H601-C605 PolarHBondContact O-N 3.01Å | ||
| 602 | P | 67.3 | Low | 73.5 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 49% | 0.494 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -37.6 | -175 | -25.3 | 35.7 | 0 | 0 | 0 | 113.6 | R598 E599 K604 C605 R606 | R598-P602 WeakPolarHBondContact O-CA 3.41Å; E599-P602 WeakPolarHBondContact O-CD 3.39Å; P602-K604 VanDerWaalsContact C-N 3.34Å; P602-K604 PolarHBondContact O-N 3.31Å; P602-C605 PolarHBondContact O-N 3.48Å; P602-R606 PolarHBondContact O-N 2.85Å |
| 603 | E | 66.6 | Low | 72.9 | Confident | 119 Ų | 119 | 83 Ų | 83 | 56% | 0.556 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -35.4 | 178.6 | -63.9 | -52.8 | 108.9 | 0 | 0 | 113.5 | H601 C605 R606 | H601-E603 VanDerWaalsContact C-N 3.27Å; H601-E603 PolarHBondContact O-N 3.32Å; H601-E603 VanDerWaalsContact O-N 3.14Å; E603-C605 VanDerWaalsContact C-N 3.26Å; E603-C605 PolarHBondContact O-N 3.35Å; E603-R606 VanDerWaalsContact CD-CZ 3.41Å; E603-R606 VanDerWaalsContact CD-NE 3.27Å; E603-R606 IonicContact OE1-CZ 2.7Å; E603-R606 IonicContact OE1-NE 3.6Å; E603-R606 PolarHBondContact OE1-NE 3.05Å; E603-R606 IonicContact OE1-NH2 2.78Å; E603-R606 PolarHBondContact OE1-NH2 2.86Å; E603-R606 IonicContact OE2-CZ 2.58Å; E603-R606 IonicContact OE2-NE 3.94Å; E603-R606 PolarHBondContact OE2-NE 3.34Å; E603-R606 IonicContact OE2-NH1 2.73Å; E603-R606 IonicContact OE2-NH2 3.87Å; E603-R606 PolarHBondContact OE2-NH2 2.96Å |
| 604 | K | 61.8 | Low | 72.4 | Confident | 105 Ų | 105 | 85.3 Ų | 85.3 | 46% | 0.457 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -25.5 | 179 | -60 | -177.7 | -168.9 | 169 | 0 | 111.1 | H601 P602 | H601-K604 HydrophobicContact CB-CB 4.13Å; H601-K604 HydrophobicContact CB-CD 3.84Å; H601-K604 HydrophobicContact CB-CG 4.04Å; H601-K604 PolarHBondContact CD2-NZ 3.16Å; H601-K604 PolarHBondContact NE2-NZ 3.39Å; H601-K604 PolarHBondContact O-N 3.18Å; P602-K604 VanDerWaalsContact C-N 3.34Å; P602-K604 PolarHBondContact O-N 3.31Å |
| 605 | C | 59.4 | Low | 72.1 | Confident | 12 Ų | 12 | 88.1 Ų | 88.1 | 8% | 0.081 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 14.8 | -175.7 | -63.9 | 0 | 0 | 0 | 0 | 114.9 | R598 H601 P602 E603 S607 N611 | R598-C605 HydrophobicContact CB-CB 4.41Å; R598-C605 HydrophobicContact CG-CB 3.9Å; H601-C605 PolarHBondContact O-N 3.01Å; P602-C605 PolarHBondContact O-N 3.48Å; E603-C605 VanDerWaalsContact C-N 3.26Å; E603-C605 PolarHBondContact O-N 3.35Å; C605-S607 VanDerWaalsContact C-N 3.27Å; C605-S607 PolarHBondContact O-N 3.12Å; C605-N611 WeakPolarHBondContact CA-OD1 3.37Å; C605-N611 WeakPolarHBondContact CB-OD1 3.41Å; C605-N611 PolarHBondContact O-ND2 2.67Å; C605-N611 PolarHBondContact O-OD1 2.94Å; C605-N611 VanDerWaalsContact O-OD1 3.12Å |
| 606 | R | 62.7 | Low | 71.7 | Confident | 144 Ų | 144 | 88.5 Ų | 88.5 | 54% | 0.543 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -74.4 | -6.3 | 177.7 | -71.9 | -176.8 | 173.2 | -158.7 | 3.8 | 115.4 | P602 E603 | P602-R606 PolarHBondContact O-N 2.85Å; E603-R606 VanDerWaalsContact CD-CZ 3.41Å; E603-R606 VanDerWaalsContact CD-NE 3.27Å; E603-R606 IonicContact OE1-CZ 2.7Å; E603-R606 IonicContact OE1-NE 3.6Å; E603-R606 PolarHBondContact OE1-NE 3.05Å; E603-R606 IonicContact OE1-NH2 2.78Å; E603-R606 PolarHBondContact OE1-NH2 2.86Å; E603-R606 IonicContact OE2-CZ 2.58Å; E603-R606 IonicContact OE2-NE 3.94Å; E603-R606 PolarHBondContact OE2-NE 3.34Å; E603-R606 IonicContact OE2-NH1 2.73Å; E603-R606 IonicContact OE2-NH2 3.87Å; E603-R606 PolarHBondContact OE2-NH2 2.96Å |
| 607 | S | 69.7 | Low | 71.5 | Confident | 21 Ų | 21 | 88.8 Ų | 88.8 | 15% | 0.147 | 43% | 0.427 | C | S | . | . | trans | -121.4 | 129.6 | -175.3 | 176 | 0 | 0 | 0 | 0 | 112.6 | D150 C605 T609 K610 N611 | D150-S607 WeakPolarHBondContact OD1-CA 3.4Å; D150-S607 VanDerWaalsContact OD2-CA 3.29Å; D150-S607 WeakPolarHBondContact OD2-CA 3.32Å; D150-S607 WeakPolarHBondContact OD2-CB 3.08Å; D150-S607 PolarHBondContact OD2-OG 3.26Å; C605-S607 VanDerWaalsContact C-N 3.27Å; C605-S607 PolarHBondContact O-N 3.12Å; S607-T609 VanDerWaalsContact C-N 3.33Å; S607-T609 PolarHBondContact O-N 3.45Å; S607-K610 PolarHBondContact O-N 3.17Å; S607-K610 VanDerWaalsContact O-N 3.16Å; S607-N611 PolarHBondContact O-N 3.07Å; S607-N611 PolarHBondContact O-OD1 2.98Å | ||
| 608 | R | 70.9 | Confident | 71.3 | Confident | 52 Ų | 52 | 85.6 Ų | 85.6 | 20% | 0.196 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -53.7 | -47 | 179.4 | 175.7 | 176.3 | 176.2 | 154.9 | 4.3 | 112.1 | D150 G225 T226 N228 P238 N611 M612 | D150-R608 VanDerWaalsContact OD1-CB 3.29Å; D150-R608 WeakPolarHBondContact OD1-CB 3.48Å; D150-R608 PolarHBondContact OD1-N 2.93Å; G225-R608 VanDerWaalsContact O-CZ 3.25Å; G225-R608 PolarHBondContact O-NE 3.21Å; G225-R608 PolarHBondContact O-NH1 2.91Å; T226-R608 HydrophobicContact CG2-CB 4.14Å; T226-R608 HydrophobicContact CG2-CG 3.95Å; N228-R608 PolarHBondContact ND2-NH1 3.37Å; N228-R608 PolarHBondContact ND2-NH2 3.42Å; P238-R608 PolarHBondContact O-NH1 3.5Å; P238-R608 PolarHBondContact O-NH2 3.37Å; R608-N611 PolarHBondContact O-N 3.07Å; R608-M612 PolarHBondContact O-N 2.78Å |
| 609 | T | 70.4 | Confident | 71.1 | Confident | 103 Ų | 103 | 80.3 Ų | 80.3 | 63% | 0.632 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.6 | -38.9 | -179.5 | -48.8 | 0 | 0 | 0 | 0 | 111.4 | S607 M612 M613 | S607-T609 VanDerWaalsContact C-N 3.33Å; S607-T609 PolarHBondContact O-N 3.45Å; T609-M612 PolarHBondContact O-N 3.14Å; T609-M613 WeakPolarHBondContact O-CB 3.49Å; T609-M613 PolarHBondContact O-N 3.46Å |
| 610 | K | 73.8 | Confident | 70.7 | Confident | 123 Ų | 123 | 78.1 Ų | 78.1 | 54% | 0.535 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 174.6 | -63.1 | -174.4 | -175.4 | -179.9 | 0 | 111.9 | S607 M613 W614 | S607-K610 PolarHBondContact O-N 3.17Å; S607-K610 VanDerWaalsContact O-N 3.16Å; K610-M613 PolarHBondContact O-N 3.02Å; K610-W614 VanDerWaalsContact O-CD1 3.3Å; K610-W614 PolarHBondContact O-N 2.88Å |
| 611 | N | 74.6 | Confident | 70.5 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 7% | 0.07 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 177.9 | -67.9 | -7.9 | 0 | 0 | 0 | 111.5 | T226 F594 C605 S607 R608 M613 W614 Y615 | T226-N611 HydrophobicContact CG2-CB 3.93Å; F594-N611 HydrophobicContact CE2-CB 4.25Å; F594-N611 WeakPolarHBondContact CE2-O 3.36Å; F594-N611 HydrophobicContact CZ-CB 3.94Å; C605-N611 WeakPolarHBondContact CA-OD1 3.37Å; C605-N611 WeakPolarHBondContact CB-OD1 3.41Å; C605-N611 PolarHBondContact O-ND2 2.67Å; C605-N611 PolarHBondContact O-OD1 2.94Å; C605-N611 VanDerWaalsContact O-OD1 3.12Å; S607-N611 PolarHBondContact O-N 3.07Å; S607-N611 PolarHBondContact O-OD1 2.98Å; R608-N611 PolarHBondContact O-N 3.07Å; N611-M613 VanDerWaalsContact C-N 3.34Å; N611-W614 PolarHBondContact O-N 3.11Å; N611-Y615 PolarHBondContact O-N 3.45Å |
| 612 | M | 73.3 | Confident | 70.3 | Confident | 137 Ų | 137 | 71.1 Ų | 71.1 | 68% | 0.675 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.1 | -36.1 | 175 | -162.2 | 171.7 | 76.8 | 0 | 0 | 112.2 | R608 T609 G616 | R608-M612 PolarHBondContact O-N 2.78Å; T609-M612 PolarHBondContact O-N 3.14Å; M612-G616 PolarHBondContact O-N 3.41Å |
| 613 | M | 73.4 | Confident | 70 | Confident | 137 Ų | 137 | 70.9 Ų | 70.9 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.7 | -42.4 | 172.6 | -175.9 | 177.1 | -178.7 | 0 | 0 | 112.4 | T609 K610 N611 G616 V617 | T609-M613 WeakPolarHBondContact O-CB 3.49Å; T609-M613 PolarHBondContact O-N 3.46Å; K610-M613 PolarHBondContact O-N 3.02Å; N611-M613 VanDerWaalsContact C-N 3.34Å; M613-G616 WeakPolarHBondContact O-CA 3.5Å; M613-G616 PolarHBondContact O-N 2.8Å; M613-G616 VanDerWaalsContact O-N 3.12Å; M613-V617 WeakPolarHBondContact O-CG2 3.48Å; M613-V617 PolarHBondContact O-N 2.96Å |
| 614 | W | 74.1 | Confident | 69.6 | Low | 92 Ų | 92 | 72 Ų | 72 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.8 | -89.4 | 118.8 | 0 | 0 | 0 | 112.5 | F594 K610 N611 G616 V617 L618 | F594-W614 HydrophobicContact CD2-CB 4.14Å; F594-W614 HydrophobicContact CE2-CB 3.93Å; K610-W614 VanDerWaalsContact O-CD1 3.3Å; K610-W614 PolarHBondContact O-N 2.88Å; N611-W614 PolarHBondContact O-N 3.11Å; W614-G616 VanDerWaalsContact C-N 3.29Å; W614-G616 PolarHBondContact O-N 2.9Å; W614-V617 PolarHBondContact O-N 3.47Å; W614-L618 WeakPolarHBondContact O-CB 3.48Å; W614-L618 WeakPolarHBondContact O-CG 3.45Å; W614-L618 PolarHBondContact O-N 3.15Å |
| 615 | Y | 74.4 | Confident | 69.4 | Low | 78 Ų | 78 | 72.2 Ų | 72.2 | 31% | 0.306 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.6 | -42.6 | 171.3 | -105.3 | -77 | 0 | 0 | 0 | 112.1 | I590 S591 F594 N611 L618 G619 | I590-Y615 HydrophobicContact CG2-CD1 3.97Å; I590-Y615 HydrophobicContact CG2-CE1 4.13Å; S591-Y615 WeakPolarHBondContact CB-OH 3.37Å; S591-Y615 PolarHBondContact OG-OH 3.08Å; F594-Y615 HydrophobicContact CB-CD2 4.42Å; F594-Y615 HydrophobicContact CB-CE1 4.33Å; F594-Y615 HydrophobicContact CB-CE2 3.99Å; F594-Y615 HydrophobicContact CD1-CD2 4.05Å; F594-Y615 AromaticContact CD1-CE2 3.31Å; F594-Y615 HydrophobicContact CD1-CE2 3.31Å; F594-Y615 AromaticContact CD1-CZ 3.85Å; F594-Y615 AromaticContact CD2-CD2 3.44Å; F594-Y615 HydrophobicContact CD2-CD2 3.44Å; F594-Y615 VanDerWaalsContact CD2-CD2 3.44Å; F594-Y615 AromaticContact CD2-CE2 3.61Å; F594-Y615 HydrophobicContact CD2-CE2 3.61Å; F594-Y615 HydrophobicContact CD2-CG 4.13Å; F594-Y615 HydrophobicContact CE1-CD2 4.19Å; F594-Y615 AromaticContact CE1-CE2 3.61Å; F594-Y615 HydrophobicContact CE1-CE2 3.61Å; F594-Y615 AromaticContact CE2-CD2 3.61Å; F594-Y615 HydrophobicContact CE2-CD2 3.61Å; F594-Y615 AromaticContact CE2-CE2 3.88Å; F594-Y615 HydrophobicContact CE2-CE2 3.88Å; F594-Y615 AromaticContact CG-CD2 3.68Å; F594-Y615 HydrophobicContact CG-CD2 3.68Å; F594-Y615 HydrophobicContact CG-CE1 4.5Å; F594-Y615 AromaticContact CG-CE2 3.31Å; F594-Y615 HydrophobicContact CG-CE2 3.31Å; F594-Y615 HydrophobicContact CG-CG 4.42Å; F594-Y615 AromaticContact CG-CZ 3.77Å; F594-Y615 AromaticContact CZ-CD2 3.99Å; F594-Y615 HydrophobicContact CZ-CD2 3.99Å; F594-Y615 AromaticContact CZ-CE2 3.89Å; F594-Y615 HydrophobicContact CZ-CE2 3.89Å; N611-Y615 PolarHBondContact O-N 3.45Å; Y615-L618 PolarHBondContact O-N 3.29Å; Y615-G619 PolarHBondContact O-N 2.91Å |
| 616 | G | 72.6 | Confident | 69.6 | Low | 42 Ų | 42 | 79.3 Ų | 79.3 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M612 M613 W614 L618 G619 T620 | M612-G616 PolarHBondContact O-N 3.41Å; M613-G616 WeakPolarHBondContact O-CA 3.5Å; M613-G616 PolarHBondContact O-N 2.8Å; M613-G616 VanDerWaalsContact O-N 3.12Å; W614-G616 VanDerWaalsContact C-N 3.29Å; W614-G616 PolarHBondContact O-N 2.9Å; G616-L618 VanDerWaalsContact C-N 3.35Å; G616-L618 PolarHBondContact O-N 2.82Å; G616-G619 PolarHBondContact O-N 2.84Å; G616-T620 PolarHBondContact O-N 3.19Å; G616-T620 PolarHBondContact O-OG1 3.31Å; G616-T620 VanDerWaalsContact O-OG1 3.09Å |
| 617 | V | 78.1 | Confident | 69.3 | Low | 75 Ų | 75 | 76 Ų | 76 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | M613 W614 T620 K621 | M613-V617 WeakPolarHBondContact O-CG2 3.48Å; M613-V617 PolarHBondContact O-N 2.96Å; W614-V617 PolarHBondContact O-N 3.47Å; V617-T620 PolarHBondContact O-N 2.7Å; V617-K621 PolarHBondContact O-N 2.54Å; V617-K621 VanDerWaalsContact O-N 3.07Å |
| 618 | L | 74.2 | Confident | 69 | Low | 2 Ų | 2 | 77.1 Ų | 77.1 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 175.1 | -73.3 | 169.3 | 0 | 0 | 0 | 112.1 | I590 E593 F594 K597 W614 Y615 G616 T620 K621 E622 | I590-L618 HydrophobicContact CG2-CB 4.14Å; E593-L618 HydrophobicContact CB-CD1 4.41Å; E593-L618 HydrophobicContact CB-CD2 3.87Å; E593-L618 WeakPolarHBondContact OE2-CD2 3.36Å; F594-L618 VanDerWaalsContact CA-CD1 3.49Å; F594-L618 HydrophobicContact CB-CD1 3.61Å; F594-L618 HydrophobicContact CD2-CD1 4.14Å; F594-L618 HydrophobicContact CG-CD1 4.39Å; K597-L618 HydrophobicContact CD-CD2 4.15Å; W614-L618 WeakPolarHBondContact O-CB 3.48Å; W614-L618 WeakPolarHBondContact O-CG 3.45Å; W614-L618 PolarHBondContact O-N 3.15Å; Y615-L618 PolarHBondContact O-N 3.29Å; G616-L618 VanDerWaalsContact C-N 3.35Å; G616-L618 PolarHBondContact O-N 2.82Å; L618-T620 VanDerWaalsContact C-N 3.28Å; L618-T620 PolarHBondContact O-N 3.3Å; L618-K621 WeakPolarHBondContact O-CB 3.48Å; L618-K621 PolarHBondContact O-N 3.01Å; L618-K621 VanDerWaalsContact O-N 3.14Å; L618-E622 PolarHBondContact O-N 2.68Å |
| 619 | G | 70.6 | Confident | 68.7 | Low | 18 Ų | 18 | 81.2 Ų | 81.2 | 19% | 0.186 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y615 G616 E622 L623 | Y615-G619 PolarHBondContact O-N 2.91Å; G616-G619 PolarHBondContact O-N 2.84Å; G619-E622 PolarHBondContact O-N 2.71Å; G619-L623 WeakPolarHBondContact O-CB 3.34Å; G619-L623 PolarHBondContact O-N 3.05Å |
| 620 | T | 66.8 | Low | 68.7 | Low | 83 Ų | 83 | 79.3 Ų | 79.3 | 51% | 0.509 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | 175.1 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | G616 V617 L618 L623 L624 | G616-T620 PolarHBondContact O-N 3.19Å; G616-T620 PolarHBondContact O-OG1 3.31Å; G616-T620 VanDerWaalsContact O-OG1 3.09Å; V617-T620 PolarHBondContact O-N 2.7Å; L618-T620 VanDerWaalsContact C-N 3.28Å; L618-T620 PolarHBondContact O-N 3.3Å; T620-L623 PolarHBondContact O-N 3.3Å; T620-L624 PolarHBondContact O-N 2.95Å |
| 621 | K | 73.5 | Confident | 69 | Low | 60 Ų | 60 | 73.6 Ų | 73.6 | 26% | 0.261 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 171.1 | 166.8 | 179.1 | 164.4 | -74 | 0 | 110.9 | E593 V617 L618 L623 L624 Q625 | E593-K621 IonicContact OE1-NZ 2.69Å; E593-K621 PolarHBondContact OE1-NZ 3.5Å; E593-K621 IonicContact OE2-NZ 3.69Å; E593-K621 PolarHBondContact OE2-NZ 3.26Å; V617-K621 PolarHBondContact O-N 2.54Å; V617-K621 VanDerWaalsContact O-N 3.07Å; L618-K621 WeakPolarHBondContact O-CB 3.48Å; L618-K621 PolarHBondContact O-N 3.01Å; L618-K621 VanDerWaalsContact O-N 3.14Å; K621-L623 PolarHBondContact O-N 2.93Å; K621-L624 WeakPolarHBondContact O-CB 3.39Å; K621-L624 PolarHBondContact O-N 2.79Å; K621-L624 VanDerWaalsContact O-N 3.17Å; K621-Q625 VanDerWaalsContact NZ-OE1 3.12Å; K621-Q625 WeakPolarHBondContact O-CG 3.49Å; K621-Q625 PolarHBondContact O-N 3.13Å |
| 622 | E | 69.1 | Low | 69.2 | Low | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.6 | -30.3 | -179.3 | -67.8 | -55 | 130.5 | 0 | 0 | 113.4 | L586 K589 I590 L618 G619 L624 Q625 R626 T627 | L586-E622 HydrophobicContact CD1-CB 4.1Å; K589-E622 VanDerWaalsContact CD-OE2 3.29Å; K589-E622 WeakPolarHBondContact CD-OE2 3.42Å; K589-E622 WeakPolarHBondContact CE-OE2 3.46Å; K589-E622 IonicContact NZ-OE1 3.45Å; K589-E622 PolarHBondContact NZ-OE1 3.44Å; K589-E622 IonicContact NZ-OE2 2.77Å; K589-E622 PolarHBondContact NZ-OE2 2.88Å; I590-E622 HydrophobicContact CD1-CB 4.26Å; I590-E622 HydrophobicContact CD1-CG 4.5Å; I590-E622 HydrophobicContact CG1-CB 3.98Å; I590-E622 HydrophobicContact CG1-CG 3.67Å; L618-E622 PolarHBondContact O-N 2.68Å; G619-E622 PolarHBondContact O-N 2.71Å; E622-L624 VanDerWaalsContact C-N 3.26Å; E622-L624 PolarHBondContact O-N 3.02Å; E622-Q625 PolarHBondContact O-N 3.11Å; E622-R626 PolarHBondContact O-N 3.42Å; E622-T627 PolarHBondContact OE2-OG1 3.11Å |
| 623 | L | 60.4 | Low | 69.5 | Low | 72 Ų | 72 | 75 Ų | 75 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.8 | -36.3 | 168.7 | 177.3 | 60.3 | 0 | 0 | 0 | 113 | G619 T620 K621 S694 M695 | G619-L623 WeakPolarHBondContact O-CB 3.34Å; G619-L623 PolarHBondContact O-N 3.05Å; T620-L623 PolarHBondContact O-N 3.3Å; K621-L623 PolarHBondContact O-N 2.93Å; L623-S694 VanDerWaalsContact CA-OG 3.26Å; L623-S694 WeakPolarHBondContact CA-OG 3.46Å; L623-S694 WeakPolarHBondContact CB-OG 3.48Å; L623-S694 WeakPolarHBondContact CD1-OG 3.38Å; L623-M695 HydrophobicContact CD1-CB 3.83Å |
| 624 | L | 58.1 | Low | 70 | Confident | 143 Ų | 143 | 72 Ų | 72 | 75% | 0.749 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -77.6 | -38.6 | 175 | -70.3 | 161 | 0 | 0 | 0 | 112 | T620 K621 E622 | T620-L624 PolarHBondContact O-N 2.95Å; K621-L624 WeakPolarHBondContact O-CB 3.39Å; K621-L624 PolarHBondContact O-N 2.79Å; K621-L624 VanDerWaalsContact O-N 3.17Å; E622-L624 VanDerWaalsContact C-N 3.26Å; E622-L624 PolarHBondContact O-N 3.02Å |
| 625 | Q | 58.3 | Low | 70.8 | Confident | 108 Ų | 108 | 67.8 Ų | 67.8 | 51% | 0.505 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -90.3 | -12.9 | -170.5 | -67.7 | -170.7 | -41.8 | 0 | 0 | 115.6 | K621 E622 T627 | K621-Q625 VanDerWaalsContact NZ-OE1 3.12Å; K621-Q625 WeakPolarHBondContact O-CG 3.49Å; K621-Q625 PolarHBondContact O-N 3.13Å; E622-Q625 PolarHBondContact O-N 3.11Å; Q625-T627 WeakPolarHBondContact O-CA 3.24Å; Q625-T627 PolarHBondContact O-N 3.11Å; Q625-T627 PolarHBondContact O-OG1 3.21Å |
| 626 | R | 62.3 | Low | 71.6 | Confident | 161 Ų | 161 | 68.1 Ų | 68.1 | 61% | 0.608 | 35% | 0.346 | S | S | * | . | trans | 42.7 | 36.5 | 169.6 | -65.8 | -178.2 | 168.6 | -178 | -6.1 | 115.1 | E622 Y628 | E622-R626 PolarHBondContact O-N 3.42Å; R626-Y628 VanDerWaalsContact C-N 3.3Å; R626-Y628 PolarHBondContact O-N 2.91Å | ||
| 627 | T | 55.9 | Low | 72.6 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | trans | -76.3 | -11.7 | -157.2 | -31.6 | 0 | 0 | 0 | 0 | 115.2 | K589 E622 Q625 | K589-T627 PolarHBondContact NZ-OG1 2.77Å; E622-T627 PolarHBondContact OE2-OG1 3.11Å; Q625-T627 WeakPolarHBondContact O-CA 3.24Å; Q625-T627 PolarHBondContact O-N 3.11Å; Q625-T627 PolarHBondContact O-OG1 3.21Å | ||
| 628 | Y | 64.2 | Low | 73.4 | Confident | 44 Ų | 44 | 64 Ų | 64 | 17% | 0.173 | 31% | 0.31 | C | S | . | . | trans | -119.5 | 62.7 | 176.3 | -82.8 | -92.9 | 0 | 0 | 0 | 110.1 | K589 R626 L631 Q650 V726 P727 | K589-Y628 HydrophobicContact CD-CD2 4.13Å; K589-Y628 HydrophobicContact CD-CE2 4.05Å; K589-Y628 HydrophobicContact CG-CE2 4.36Å; R626-Y628 VanDerWaalsContact C-N 3.3Å; R626-Y628 PolarHBondContact O-N 2.91Å; Y628-L631 HydrophobicContact CD1-CD1 4.29Å; Y628-Q650 VanDerWaalsContact O-CA 3.23Å; Y628-Q650 WeakPolarHBondContact O-CA 3.48Å; Y628-Q650 VanDerWaalsContact O-CB 3.28Å; Y628-Q650 WeakPolarHBondContact O-CB 3.44Å; Y628-Q650 VanDerWaalsContact O-CG 3.29Å; Y628-Q650 WeakPolarHBondContact O-CG 3.5Å; Y628-V726 HydrophobicContact CE1-CG1 4.33Å; Y628-P727 HydrophobicContact CE1-CG 4.32Å; Y628-P727 HydrophobicContact CE2-CG 4.04Å; Y628-P727 VanDerWaalsContact CZ-CD 3.49Å; Y628-P727 WeakPolarHBondContact OH-CD 3.27Å | ||
| 629 | K | 63.8 | Low | 74.3 | Confident | 138 Ų | 138 | 64 Ų | 64 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | trans | -69.8 | 156.2 | 157.4 | -65.9 | -179.2 | -175.3 | 173.7 | 0 | 109 | L631 | K629-L631 PolarHBondContact O-N 3.4Š| ||
| 630 | N | 71.1 | Confident | 75.3 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | trans | 59.1 | 39 | 170.3 | -49.6 | 9.9 | 0 | 0 | 0 | 115.8 | E632 Q633 | N630-E632 VanDerWaalsContact CA-CD 3.49Å; N630-E632 WeakPolarHBondContact CA-OE1 3.45Å; N630-E632 VanDerWaalsContact CA-OE2 3.27Å; N630-E632 WeakPolarHBondContact CA-OE2 3.49Å; N630-E632 PolarHBondContact O-N 2.83Å; N630-Q633 HydrophobicContact CB-CG 4.1Å; N630-Q633 VanDerWaalsContact CB-OE1 3.26Å; N630-Q633 PolarHBondContact ND2-OE1 3.02Å; N630-Q633 VanDerWaalsContact ND2-OE1 3.08Å; N630-Q633 WeakPolarHBondContact O-CB 3.46Å; N630-Q633 PolarHBondContact O-N 2.75Å | ||
| 631 | L | 81.4 | Confident | 76.3 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.6 | -27.4 | 180 | -176.1 | 65.4 | 0 | 0 | 0 | 112.5 | Y628 K629 Q633 K634 V635 L649 V726 | Y628-L631 HydrophobicContact CD1-CD1 4.29Å; K629-L631 PolarHBondContact O-N 3.4Å; L631-Q633 PolarHBondContact O-N 3.37Å; L631-K634 CarbonylContact O-C 3.31Å; L631-K634 PolarHBondContact O-N 3.23Å; L631-V635 HydrophobicContact CD1-CG2 3.66Å; L631-V635 HydrophobicContact CG-CB 4.44Å; L631-V635 HydrophobicContact CG-CG2 3.93Å; L631-V635 WeakPolarHBondContact O-CB 3.36Å; L631-V635 PolarHBondContact O-N 3.14Å; L631-L649 HydrophobicContact CB-CD1 3.87Å; L631-L649 WeakPolarHBondContact CB-O 3.36Å; L631-L649 HydrophobicContact CD2-CD1 3.86Å; L631-L649 HydrophobicContact CG-CD1 4.22Å; L631-L649 PolarHBondContact N-O 3.03Å; L631-L649 VanDerWaalsContact N-O 3.09Å; L631-V726 HydrophobicContact CD1-CG1 4.02Å |
| 632 | E | 77.1 | Confident | 77 | Confident | 45 Ų | 45 | 66 Ų | 66 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.9 | -23 | 172.3 | 68.8 | -76.7 | -175.9 | 0 | 0 | 114.4 | N630 L646 S648 L649 | N630-E632 VanDerWaalsContact CA-CD 3.49Å; N630-E632 WeakPolarHBondContact CA-OE1 3.45Å; N630-E632 VanDerWaalsContact CA-OE2 3.27Å; N630-E632 WeakPolarHBondContact CA-OE2 3.49Å; N630-E632 PolarHBondContact O-N 2.83Å; E632-L646 HydrophobicContact CB-CB 3.67Å; E632-L646 HydrophobicContact CB-CD1 4.45Å; E632-S648 VanDerWaalsContact OE1-CA 3.28Å; E632-S648 WeakPolarHBondContact OE1-CA 3.38Å; E632-S648 WeakPolarHBondContact OE1-CB 3.36Å; E632-S648 PolarHBondContact OE1-OG 2.88Å; E632-S648 WeakPolarHBondContact OE2-CA 2.83Å; E632-L649 PolarHBondContact OE2-N 3.06Å |
| 633 | Q | 79.6 | Confident | 78 | Confident | 135 Ų | 135 | 72.3 Ų | 72.3 | 63% | 0.631 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -80.6 | -26.8 | 174.8 | -63.7 | 179.1 | -30.7 | 0 | 0 | 111.8 | N630 L631 | N630-Q633 HydrophobicContact CB-CG 4.1Å; N630-Q633 VanDerWaalsContact CB-OE1 3.26Å; N630-Q633 PolarHBondContact ND2-OE1 3.02Å; N630-Q633 VanDerWaalsContact ND2-OE1 3.08Å; N630-Q633 WeakPolarHBondContact O-CB 3.46Å; N630-Q633 PolarHBondContact O-N 2.75Å; L631-Q633 PolarHBondContact O-N 3.37Å |
| 634 | K | 84.6 | Confident | 79.4 | Confident | 75 Ų | 75 | 69.2 Ų | 69.2 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -97.8 | -7.9 | 179.1 | -64.8 | -168.5 | 177.3 | -177.8 | 0 | 113.7 | L631 I720 L721 E724 | L631-K634 CarbonylContact O-C 3.31Å; L631-K634 PolarHBondContact O-N 3.23Å; K634-I720 WeakPolarHBondContact O-CA 3.29Å; K634-L721 PolarHBondContact O-N 3.03Å; K634-E724 IonicContact NZ-OE2 2.75Å; K634-E724 PolarHBondContact NZ-OE2 2.72Å |
| 635 | V | 90.6 | Very high | 80.6 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 126.6 | -171.7 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | I584 L631 L646 I652 I718 T719 | I584-V635 HydrophobicContact CD1-CG2 3.96Å; L631-V635 HydrophobicContact CD1-CG2 3.66Å; L631-V635 HydrophobicContact CG-CB 4.44Å; L631-V635 HydrophobicContact CG-CG2 3.93Å; L631-V635 WeakPolarHBondContact O-CB 3.36Å; L631-V635 PolarHBondContact O-N 3.14Å; V635-L646 WeakPolarHBondContact O-CD1 3.21Å; V635-I652 HydrophobicContact CG1-CD1 4.28Å; V635-I718 HydrophobicContact CG1-CG2 3.4Å; V635-T719 WeakPolarHBondContact CA-O 3.47Å |
| 636 | Q | 91.6 | Very high | 81.9 | Confident | 86 Ų | 86 | 62.9 Ų | 62.9 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136.2 | 165.5 | -68.1 | 176.8 | -7.7 | 0 | 0 | 110.8 | I718 T719 L721 | Q636-I718 WeakPolarHBondContact O-CA 3.44Å; Q636-T719 PolarHBondContact N-O 3.35Å; Q636-T719 PolarHBondContact O-N 3.18Å; Q636-L721 HydrophobicContact CG-CD1 3.92Å |
| 637 | L | 94.1 | Very high | 82.7 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133 | 176.3 | 179.7 | 66.1 | 0 | 0 | 0 | 111 | Y643 I644 L646 V688 I710 V716 I718 | L637-Y643 WeakPolarHBondContact O-CA 3.47Å; L637-I644 HydrophobicContact CD2-CB 4.21Å; L637-I644 HydrophobicContact CD2-CD1 4.38Å; L637-I644 HydrophobicContact CG-CB 4.43Å; L637-I644 PolarHBondContact O-N 3.3Å; L637-L646 HydrophobicContact CB-CD1 4.2Å; L637-L646 HydrophobicContact CB-CD2 3.9Å; L637-L646 HydrophobicContact CB-CG 4.2Å; L637-L646 HydrophobicContact CD2-CD2 3.78Å; L637-V688 HydrophobicContact CD2-CG1 3.99Å; L637-I710 HydrophobicContact CD2-CD1 4.42Å; L637-I710 HydrophobicContact CD2-CG2 4.09Å; L637-V716 HydrophobicContact CD1-CG1 3.63Å; L637-I718 HydrophobicContact CD1-CG1 4.16Å |
| 638 | E | 94 | Very high | 83.9 | Confident | 29 Ų | 29 | 57.5 Ų | 57.5 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 127.8 | 172.3 | 177.5 | -169.4 | 127.5 | 0 | 0 | 108.9 | Q642 Y643 K717 | E638-Q642 CarbonylContact C-O 3.48Å; E638-Q642 WeakPolarHBondContact CA-O 3.49Å; E638-Y643 HydrophobicContact CB-CD1 4.23Å; E638-Y643 HydrophobicContact CB-CE1 4.36Å; E638-Y643 PolarHBondContact OE2-OH 3.01Å; E638-K717 HydrophobicContact CB-CB 4.12Å; E638-K717 HydrophobicContact CB-CG 4.48Å; E638-K717 PolarHBondContact N-O 3.27Å; E638-K717 PolarHBondContact O-N 3.46Å; E638-K717 IonicContact OE1-NZ 2.71Å; E638-K717 WeakPolarHBondContact OE2-CE 3.4Å; E638-K717 IonicContact OE2-NZ 3.82Å; E638-K717 PolarHBondContact OE2-NZ 3.2Å |
| 639 | C | 93.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125 | -179.6 | -66.6 | 0 | 0 | 0 | 0 | 109.4 | G641 Q642 I644 C713 T715 | C639-G641 PolarHBondContact O-N 3.04Å; C639-G641 VanDerWaalsContact O-N 3.12Å; C639-Q642 PolarHBondContact N-O 3.34Å; C639-Q642 PolarHBondContact O-N 2.87Å; C639-I644 HydrophobicContact CB-CD1 3.82Å; C639-I644 HydrophobicContact CB-CG1 4.48Å; C639-C713 HydrophobicContact CB-CB 3.86Å; C639-T715 WeakPolarHBondContact CA-O 3.48Å |
| 640 | D | 92.1 | Very high | 86 | Confident | 64 Ų | 64 | 50.4 Ų | 50.4 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 37.7 | -175.3 | -69.8 | -24.2 | 0 | 0 | 0 | 114.6 | Q642 C713 R714 T715 | D640-Q642 VanDerWaalsContact C-N 3.34Å; D640-C713 VanDerWaalsContact OD2-CA 3.3Å; D640-C713 WeakPolarHBondContact OD2-CA 3.43Å; D640-C713 WeakPolarHBondContact OD2-CB 3.12Å; D640-R714 VanDerWaalsContact CG-N 3.29Å; D640-R714 WeakPolarHBondContact OD1-CA 3.49Å; D640-R714 PolarHBondContact OD1-N 2.83Å; D640-R714 PolarHBondContact OD2-N 3.42Å; D640-T715 WeakPolarHBondContact CA-OG1 3.46Å; D640-T715 PolarHBondContact N-O 3.04Å; D640-T715 PolarHBondContact OD1-N 3.33Å; D640-T715 PolarHBondContact OD1-OG1 3.04Å |
| 641 | G | 87.1 | Confident | 86.8 | Confident | 52 Ų | 52 | 47.5 Ų | 47.5 | 54% | 0.536 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -2.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | C639 | C639-G641 PolarHBondContact O-N 3.04Å; C639-G641 VanDerWaalsContact O-N 3.12Å |
| 642 | Q | 88.9 | Confident | 87.3 | Confident | 89 Ų | 89 | 47.5 Ų | 47.5 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.7 | 177.6 | 176.7 | 170.3 | -11.7 | 0 | 0 | 111.3 | I532 E638 C639 D640 | I532-Q642 HydrophobicContact CD1-CB 4.04Å; I532-Q642 VanDerWaalsContact CD1-CD 3.5Å; I532-Q642 HydrophobicContact CD1-CG 3.89Å; E638-Q642 CarbonylContact C-O 3.48Å; E638-Q642 WeakPolarHBondContact CA-O 3.49Å; C639-Q642 PolarHBondContact N-O 3.34Å; C639-Q642 PolarHBondContact O-N 2.87Å; D640-Q642 VanDerWaalsContact C-N 3.34Å |
| 643 | Y | 90.5 | Very high | 88 | Confident | 132 Ų | 132 | 45.3 Ų | 45.3 | 52% | 0.518 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 135.1 | 172.3 | -71 | -86.1 | 0 | 0 | 0 | 111.4 | L637 E638 | L637-Y643 WeakPolarHBondContact O-CA 3.47Å; E638-Y643 HydrophobicContact CB-CD1 4.23Å; E638-Y643 HydrophobicContact CB-CE1 4.36Å; E638-Y643 PolarHBondContact OE2-OH 3.01Å |
| 644 | I | 88.8 | Confident | 88.7 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.1 | 176 | -58.7 | -173.2 | 0 | 0 | 0 | 108.7 | I532 L637 C639 L646 I710 A711 | I532-I644 HydrophobicContact CD1-CD1 4.22Å; I532-I644 HydrophobicContact CD1-CG1 4.35Å; L637-I644 HydrophobicContact CD2-CB 4.21Å; L637-I644 HydrophobicContact CD2-CD1 4.38Å; L637-I644 HydrophobicContact CG-CB 4.43Å; L637-I644 PolarHBondContact O-N 3.3Å; C639-I644 HydrophobicContact CB-CD1 3.82Å; C639-I644 HydrophobicContact CB-CG1 4.48Å; I644-L646 PolarHBondContact O-N 3.04Å; I644-I710 HydrophobicContact CD1-CG2 4.02Å; I644-I710 HydrophobicContact CG2-CG2 3.75Å; I644-A711 HydrophobicContact CD1-CB 3.76Å |
| 645 | P | 83.5 | Confident | 89.2 | Confident | 89 Ų | 89 | 35.4 Ų | 35.4 | 58% | 0.578 | 20% | 0.199 | S | C | * | . | P | Polyproline II helix | trans | -60.5 | 132.3 | 170.3 | -18.7 | 30.5 | 0 | 0 | 0 | 110.1 | L528 | L528-P645 WeakPolarHBondContact CD1-O 3.11Å; L528-P645 HydrophobicContact CD2-CB 4.07Å; L528-P645 HydrophobicContact CD2-CG 4.13Å |
| 646 | L | 85 | Confident | 89.3 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 15% | 0.152 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -96.3 | 133.5 | -179.8 | -65.6 | 179.2 | 0 | 0 | 0 | 110.8 | E632 V635 L637 I644 L649 I652 I710 | E632-L646 HydrophobicContact CB-CB 3.67Å; E632-L646 HydrophobicContact CB-CD1 4.45Å; V635-L646 WeakPolarHBondContact O-CD1 3.21Å; L637-L646 HydrophobicContact CB-CD1 4.2Å; L637-L646 HydrophobicContact CB-CD2 3.9Å; L637-L646 HydrophobicContact CB-CG 4.2Å; L637-L646 HydrophobicContact CD2-CD2 3.78Å; I644-L646 PolarHBondContact O-N 3.04Å; L646-L649 HydrophobicContact CB-CD2 4.07Å; L646-L649 HydrophobicContact CD1-CD2 4.5Å; L646-L649 HydrophobicContact CD2-CD2 4.15Å; L646-L649 HydrophobicContact CG-CD2 4.47Å; L646-I652 HydrophobicContact CD1-CD1 3.76Å; L646-I652 HydrophobicContact CD2-CD1 4.24Å; L646-I710 HydrophobicContact CD2-CD1 4.31Å |
| 647 | P | 80.2 | Confident | 89.3 | Confident | 46 Ų | 46 | 31.2 Ų | 31.2 | 30% | 0.299 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -73.5 | 166.8 | 167.6 | 34.5 | -36.2 | 0 | 0 | 0 | 110.2 | L528 L649 F692 | L528-P647 HydrophobicContact CD1-CG 4.4Å; P647-L649 HydrophobicContact CG-CD2 4.36Å; P647-L649 WeakPolarHBondContact O-CB 3.31Å; P647-L649 WeakPolarHBondContact O-CD2 3.48Å; P647-L649 VanDerWaalsContact O-CG 3.25Å; P647-L649 WeakPolarHBondContact O-CG 3.25Å; P647-L649 PolarHBondContact O-N 2.82Å; P647-F692 HydrophobicContact CB-CE1 4.12Å; P647-F692 HydrophobicContact CG-CE1 3.74Å; P647-F692 HydrophobicContact CG-CZ 4.03Å |
| 648 | S | 80.4 | Confident | 89 | Confident | 76 Ų | 76 | 32.7 Ų | 32.7 | 53% | 0.531 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -66.2 | 112.3 | -176.6 | -163.2 | 0 | 0 | 0 | 0 | 113 | E632 F692 | E632-S648 VanDerWaalsContact OE1-CA 3.28Å; E632-S648 WeakPolarHBondContact OE1-CA 3.38Å; E632-S648 WeakPolarHBondContact OE1-CB 3.36Å; E632-S648 PolarHBondContact OE1-OG 2.88Å; E632-S648 WeakPolarHBondContact OE2-CA 2.83Å; S648-F692 VanDerWaalsContact O-CD1 3.3Å; S648-F692 WeakPolarHBondContact O-CD1 3.46Å |
| 649 | L | 85.4 | Confident | 88.5 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | -140.5 | 162.8 | -165 | 63.1 | 84.4 | 0 | 0 | 0 | 112.9 | L631 E632 L646 P647 G651 I652 A690 F692 | L631-L649 HydrophobicContact CB-CD1 3.87Å; L631-L649 WeakPolarHBondContact CB-O 3.36Å; L631-L649 HydrophobicContact CD2-CD1 3.86Å; L631-L649 HydrophobicContact CG-CD1 4.22Å; L631-L649 PolarHBondContact N-O 3.03Å; L631-L649 VanDerWaalsContact N-O 3.09Å; E632-L649 PolarHBondContact OE2-N 3.06Å; L646-L649 HydrophobicContact CB-CD2 4.07Å; L646-L649 HydrophobicContact CD1-CD2 4.5Å; L646-L649 HydrophobicContact CD2-CD2 4.15Å; L646-L649 HydrophobicContact CG-CD2 4.47Å; P647-L649 HydrophobicContact CG-CD2 4.36Å; P647-L649 WeakPolarHBondContact O-CB 3.31Å; P647-L649 WeakPolarHBondContact O-CD2 3.48Å; P647-L649 VanDerWaalsContact O-CG 3.25Å; P647-L649 WeakPolarHBondContact O-CG 3.25Å; P647-L649 PolarHBondContact O-N 2.82Å; L649-G651 WeakPolarHBondContact CD1-O 3.42Å; L649-I652 HydrophobicContact CD1-CG1 3.86Å; L649-I652 HydrophobicContact CD2-CG1 4.39Å; L649-A690 HydrophobicContact CD2-CB 4.39Å; L649-F692 HydrophobicContact CB-CD1 4.24Å; L649-F692 HydrophobicContact CB-CE1 4.5Å | ||
| 650 | Q | 86.1 | Confident | 88 | Confident | 32 Ų | 32 | 31.9 Ų | 31.9 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -111.1 | -9.4 | -176.8 | -52.9 | -173 | 4.5 | 0 | 0 | 113.3 | L586 Y628 V691 F692 | L586-Q650 HydrophobicContact CB-CB 4.22Å; L586-Q650 WeakPolarHBondContact CB-O 3.48Å; L586-Q650 HydrophobicContact CD2-CB 4.19Å; L586-Q650 PolarHBondContact N-O 2.91Å; Y628-Q650 VanDerWaalsContact O-CA 3.23Å; Y628-Q650 WeakPolarHBondContact O-CA 3.48Å; Y628-Q650 VanDerWaalsContact O-CB 3.28Å; Y628-Q650 WeakPolarHBondContact O-CB 3.44Å; Y628-Q650 VanDerWaalsContact O-CG 3.29Å; Y628-Q650 WeakPolarHBondContact O-CG 3.5Å; Q650-V691 CarbonylContact C-O 3.56Å; Q650-V691 WeakPolarHBondContact CA-O 3.44Å; Q650-V691 PolarHBondContact N-O 3.2Å; Q650-F692 VanDerWaalsContact CD-O 3.26Å; Q650-F692 WeakPolarHBondContact CG-O 3.29Å; Q650-F692 PolarHBondContact NE2-O 3.34Å |
| 651 | G | 88.9 | Confident | 87.2 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | 159.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I584 L649 V691 | I584-G651 CarbonylContact O-C 3.54Å; I584-G651 WeakPolarHBondContact O-CA 3.31Å; L649-G651 WeakPolarHBondContact CD1-O 3.42Å; G651-V691 PolarHBondContact N-O 3.5Å; G651-V691 WeakPolarHBondContact O-CA 3.26Å; G651-V691 WeakPolarHBondContact O-CB 3.49Å; G651-V691 PolarHBondContact O-N 3.35Å |
| 652 | I | 91.4 | Very high | 86.6 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.1 | 170.4 | -50.1 | 172.5 | 0 | 0 | 0 | 107.3 | G583 I584 V635 L646 L649 V688 | G583-I652 WeakPolarHBondContact CA-O 3.05Å; I584-I652 HydrophobicContact CG2-CB 3.69Å; I584-I652 HydrophobicContact CG2-CD1 4.43Å; I584-I652 HydrophobicContact CG2-CG1 4.2Å; I584-I652 PolarHBondContact N-O 3.29Å; I584-I652 PolarHBondContact O-N 3.26Å; I584-I652 VanDerWaalsContact O-N 3.09Å; V635-I652 HydrophobicContact CG1-CD1 4.28Å; L646-I652 HydrophobicContact CD1-CD1 3.76Å; L646-I652 HydrophobicContact CD2-CD1 4.24Å; L649-I652 HydrophobicContact CD1-CG1 3.86Å; L649-I652 HydrophobicContact CD2-CG1 4.39Å; I652-V688 HydrophobicContact CG2-CG1 3.79Å |
| 653 | A | 92.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | F582 L655 Y660 F666 V689 V691 | F582-A653 WeakPolarHBondContact O-CA 3.21Å; A653-L655 HydrophobicContact CB-CD2 4.1Å; A653-Y660 HydrophobicContact CB-CE2 3.95Å; A653-F666 HydrophobicContact CB-CD2 4.41Å; A653-V689 PolarHBondContact N-O 3.21Å; A653-V689 PolarHBondContact O-N 2.98Å; A653-V691 HydrophobicContact CB-CG2 4.46Å |
| 654 | V | 94.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 117.9 | 173.7 | -179.2 | 0 | 0 | 0 | 0 | 107 | Y581 F582 L686 E687 V688 V716 I744 | Y581-V654 CarbonylContact C-O 3.46Å; Y581-V654 VanDerWaalsContact CA-O 3.22Å; Y581-V654 WeakPolarHBondContact CA-O 3.43Å; Y581-V654 WeakPolarHBondContact CB-O 3.36Å; F582-V654 HydrophobicContact CB-CB 4.29Å; F582-V654 HydrophobicContact CD1-CB 4.33Å; F582-V654 HydrophobicContact CD1-CG2 4.13Å; F582-V654 PolarHBondContact N-O 3.48Å; F582-V654 PolarHBondContact O-N 2.86Å; V654-L686 HydrophobicContact CG1-CB 3.95Å; V654-L686 HydrophobicContact CG1-CD1 3.85Å; V654-L686 HydrophobicContact CG1-CD2 4.32Å; V654-L686 HydrophobicContact CG1-CG 4.27Å; V654-E687 CarbonylContact C-O 3.56Å; V654-E687 WeakPolarHBondContact CA-O 3.07Å; V654-V688 HydrophobicContact CG2-CG1 4.29Å; V654-V688 HydrophobicContact CG2-CG2 4.39Å; V654-V716 HydrophobicContact CG1-CG2 4.04Å; V654-V716 HydrophobicContact CG2-CG1 4.34Å; V654-I744 HydrophobicContact CB-CD1 4.31Å; V654-I744 HydrophobicContact CG1-CD1 4.16Å; V654-I744 HydrophobicContact CG2-CD1 4.33Å |
| 655 | L | 93.6 | Very high | 84.7 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 140.8 | -170.7 | -41.8 | 175.8 | 0 | 0 | 0 | 110.6 | A653 Y660 F666 L686 E687 V689 | A653-L655 HydrophobicContact CB-CD2 4.1Å; L655-Y660 HydrophobicContact CD2-CD2 3.5Å; L655-Y660 HydrophobicContact CD2-CE2 4.07Å; L655-Y660 HydrophobicContact CD2-CG 4.33Å; L655-F666 HydrophobicContact CD1-CB 4.2Å; L655-L686 WeakPolarHBondContact O-CA 3.31Å; L655-L686 WeakPolarHBondContact O-CD2 3.4Å; L655-E687 HydrophobicContact CB-CB 4.16Å; L655-E687 HydrophobicContact CD1-CB 4.47Å; L655-E687 PolarHBondContact N-O 3.5Å; L655-E687 PolarHBondContact O-N 3.46Å; L655-V689 HydrophobicContact CD1-CG2 4.14Å |
| 656 | N | 94.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -109.2 | -13 | 164.2 | 179.4 | 63.6 | 0 | 0 | 0 | 111.6 | L261 D262 W264 M578 N579 N580 F681 L686 | L261-N656 WeakPolarHBondContact CD1-ND2 3.31Å; D262-N656 PolarHBondContact O-ND2 3.05Å; W264-N656 VanDerWaalsContact NE1-CG 3.28Å; W264-N656 PolarHBondContact NE1-OD1 3.21Å; M578-N656 HydrophobicContact CE-CB 4.42Å; N579-N656 PolarHBondContact O-ND2 3.07Å; N580-N656 PolarHBondContact O-N 2.81Å; N656-F681 WeakPolarHBondContact O-CA 3.17Å; N656-F681 WeakPolarHBondContact O-CB 3.12Å; N656-L686 HydrophobicContact CB-CD2 3.88Å |
| 657 | I | 91.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -132.3 | 145.9 | 176.2 | 70.9 | 172.6 | 0 | 0 | 0 | 110.2 | D229 V233 L261 N580 S659 F681 | D229-I657 HydrophobicContact CB-CD1 4.08Å; V233-I657 HydrophobicContact CG2-CB 4.22Å; V233-I657 HydrophobicContact CG2-CD1 4.26Å; L261-I657 HydrophobicContact CD1-CG2 4.28Å; N580-I657 HydrophobicContact CB-CD1 3.71Å; N580-I657 HydrophobicContact CB-CG1 4.03Å; N580-I657 PolarHBondContact O-N 3.25Å; I657-S659 WeakPolarHBondContact CG1-O 3.42Å; I657-S659 PolarHBondContact O-N 3.04Å; I657-F681 HydrophobicContact CG2-CB 4.04Å |
| 658 | P | 85.8 | Confident | 83.3 | Confident | 32 Ų | 32 | 16.7 Ų | 16.7 | 21% | 0.208 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -75.7 | 25.8 | -178.1 | 31.7 | -37.5 | 0 | 0 | 0 | 114 | V233 P679 | V233-P658 HydrophobicContact CG1-CG 4.5Å; V233-P658 HydrophobicContact CG2-CG 4.28Å; P658-P679 HydrophobicContact CB-CB 4.46Å; P658-P679 HydrophobicContact CB-CG 4.09Å |
| 659 | S | 84.8 | Confident | 82.4 | Confident | 10 Ų | 10 | 13.8 Ų | 13.8 | 7% | 0.07 | 10% | 0.101 | C | C | . | . | trans | -138.3 | 118.3 | -176.3 | -152.6 | 0 | 0 | 0 | 0 | 111.3 | D229 V233 I657 G663 T664 | D229-S659 PolarHBondContact OD1-OG 3.48Å; V233-S659 VanDerWaalsContact CG2-CB 3.42Å; I657-S659 WeakPolarHBondContact CG1-O 3.42Å; I657-S659 PolarHBondContact O-N 3.04Å; S659-G663 WeakPolarHBondContact OG-CA 3.44Å; S659-T664 WeakPolarHBondContact CA-O 3.13Å | ||
| 660 | Y | 82.8 | Confident | 81.1 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -131.3 | 146.6 | -168.8 | -175.2 | -91.5 | 0 | 0 | 0 | 110.9 | Y581 D587 A653 L655 G662 G663 T664 F666 M697 | Y581-Y660 AromaticContact CD1-CD2 3.77Å; Y581-Y660 HydrophobicContact CD1-CD2 3.77Å; Y581-Y660 HydrophobicContact CD1-CE2 4.35Å; Y581-Y660 AromaticContact CD2-CD2 3.62Å; Y581-Y660 HydrophobicContact CD2-CD2 3.62Å; Y581-Y660 AromaticContact CD2-CE2 3.32Å; Y581-Y660 HydrophobicContact CD2-CE2 3.32Å; Y581-Y660 HydrophobicContact CE1-CD2 4.04Å; Y581-Y660 AromaticContact CE2-CD2 3.87Å; Y581-Y660 HydrophobicContact CE2-CD2 3.87Å; Y581-Y660 AromaticContact CE2-CE2 3.56Å; Y581-Y660 HydrophobicContact CE2-CE2 3.56Å; Y581-Y660 AromaticContact CG-CD2 3.56Å; Y581-Y660 HydrophobicContact CG-CD2 3.56Å; Y581-Y660 AromaticContact CG-CE2 3.76Å; Y581-Y660 HydrophobicContact CG-CE2 3.76Å; D587-Y660 VanDerWaalsContact CB-OH 3.24Å; D587-Y660 WeakPolarHBondContact CB-OH 3.12Å; D587-Y660 PolarHBondContact OD2-OH 2.58Å; D587-Y660 VanDerWaalsContact OD2-OH 3.09Å; A653-Y660 HydrophobicContact CB-CE2 3.95Å; L655-Y660 HydrophobicContact CD2-CD2 3.5Å; L655-Y660 HydrophobicContact CD2-CE2 4.07Å; L655-Y660 HydrophobicContact CD2-CG 4.33Å; Y660-G662 VanDerWaalsContact C-N 3.27Å; Y660-G662 PolarHBondContact O-N 3.31Å; Y660-G662 VanDerWaalsContact O-N 3.1Å; Y660-G663 PolarHBondContact O-N 3.28Å; Y660-T664 PolarHBondContact N-O 2.89Å; Y660-T664 WeakPolarHBondContact O-CA 3.2Å; Y660-T664 WeakPolarHBondContact O-CB 3.36Å; Y660-T664 PolarHBondContact O-N 3.39Å; Y660-T664 PolarHBondContact O-OG1 2.75Å; Y660-T664 VanDerWaalsContact O-OG1 3.1Å; Y660-F666 AromaticContact CD1-CD2 3.73Å; Y660-F666 HydrophobicContact CD1-CD2 3.73Å; Y660-F666 HydrophobicContact CD1-CE1 4.19Å; Y660-F666 AromaticContact CD1-CE2 3.26Å; Y660-F666 HydrophobicContact CD1-CE2 3.26Å; Y660-F666 HydrophobicContact CD1-CG 4.38Å; Y660-F666 AromaticContact CD1-CZ 3.52Å; Y660-F666 HydrophobicContact CD1-CZ 3.52Å; Y660-F666 HydrophobicContact CD2-CD2 4.47Å; Y660-F666 AromaticContact CE1-CD2 3.96Å; Y660-F666 HydrophobicContact CE1-CD2 3.96Å; Y660-F666 AromaticContact CE1-CE2 3.15Å; Y660-F666 HydrophobicContact CE1-CE2 3.15Å; Y660-F666 AromaticContact CE1-CZ 3.53Å; Y660-F666 HydrophobicContact CE1-CZ 3.53Å; Y660-F666 HydrophobicContact CE2-CE2 4.43Å; Y660-F666 AromaticContact CG-CD2 3.99Å; Y660-F666 HydrophobicContact CG-CD2 3.99Å; Y660-F666 AromaticContact CG-CE2 3.99Å; Y660-F666 HydrophobicContact CG-CE2 3.99Å; Y660-F666 AromaticContact CZ-CE2 3.76Å; Y660-M697 HydrophobicContact CE1-CE 4.19Å |
| 661 | A | 75.6 | Confident | 79.7 | Confident | 28 Ų | 28 | 25.5 Ų | 25.5 | 23% | 0.231 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.4 | 49.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R701 | A661-R701 PolarHBondContact O-NH2 3.31Š|
| 662 | G | 73.8 | Confident | 78.5 | Confident | 36 Ų | 36 | 32.5 Ų | 32.5 | 37% | 0.371 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 29.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | D229 R232 Y660 | D229-G662 WeakPolarHBondContact OD1-CA 3.45Å; D229-G662 PolarHBondContact OD1-N 2.84Å; D229-G662 WeakPolarHBondContact OD2-CA 3.22Å; D229-G662 PolarHBondContact OD2-N 2.88Å; R232-G662 VanDerWaalsContact CZ-O 3.24Å; R232-G662 PolarHBondContact NE-O 3.16Å; R232-G662 VanDerWaalsContact NH2-CA 3.34Å; R232-G662 PolarHBondContact NH2-O 3Å; Y660-G662 VanDerWaalsContact C-N 3.27Å; Y660-G662 PolarHBondContact O-N 3.31Å; Y660-G662 VanDerWaalsContact O-N 3.1Å |
| 663 | G | 73.1 | Confident | 77.4 | Confident | 40 Ų | 40 | 35.1 Ų | 35.1 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 111 | 10 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D229 S659 Y660 | D229-G663 PolarHBondContact OD1-N 2.89Å; S659-G663 WeakPolarHBondContact OG-CA 3.44Å; Y660-G663 PolarHBondContact O-N 3.28Å |
| 664 | T | 76.3 | Confident | 75.8 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 141.3 | 176.1 | -37.6 | 0 | 0 | 0 | 0 | 109.4 | S659 Y660 F666 S700 R701 | S659-T664 WeakPolarHBondContact CA-O 3.13Å; Y660-T664 PolarHBondContact N-O 2.89Å; Y660-T664 WeakPolarHBondContact O-CA 3.2Å; Y660-T664 WeakPolarHBondContact O-CB 3.36Å; Y660-T664 PolarHBondContact O-N 3.39Å; Y660-T664 PolarHBondContact O-OG1 2.75Å; Y660-T664 VanDerWaalsContact O-OG1 3.1Å; T664-F666 HydrophobicContact CG2-CD1 3.87Å; T664-F666 HydrophobicContact CG2-CE1 3.7Å; T664-S700 WeakPolarHBondContact CG2-OG 3.46Å; T664-R701 HydrophobicContact CG2-CG 3.72Å; T664-R701 PolarHBondContact OG1-NE 3.1Å |
| 665 | N | 79.1 | Confident | 74.8 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | trans | -113.6 | 107.2 | 175 | 179.2 | -8.6 | 0 | 0 | 0 | 109.5 | W667 G668 | N665-W667 PolarHBondContact OD1-N 3.36Å; N665-G668 PolarHBondContact ND2-O 2.92Å; N665-G668 VanDerWaalsContact ND2-O 3.16Å; N665-G668 PolarHBondContact OD1-N 3.29Å | ||
| 666 | F | 73.6 | Confident | 74.2 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -85 | -16.6 | -178.8 | -81.8 | 0.5 | 0 | 0 | 0 | 114.3 | A653 L655 Y660 T664 V689 V691 M697 S700 | A653-F666 HydrophobicContact CB-CD2 4.41Å; L655-F666 HydrophobicContact CD1-CB 4.2Å; Y660-F666 AromaticContact CD1-CD2 3.73Å; Y660-F666 HydrophobicContact CD1-CD2 3.73Å; Y660-F666 HydrophobicContact CD1-CE1 4.19Å; Y660-F666 AromaticContact CD1-CE2 3.26Å; Y660-F666 HydrophobicContact CD1-CE2 3.26Å; Y660-F666 HydrophobicContact CD1-CG 4.38Å; Y660-F666 AromaticContact CD1-CZ 3.52Å; Y660-F666 HydrophobicContact CD1-CZ 3.52Å; Y660-F666 HydrophobicContact CD2-CD2 4.47Å; Y660-F666 AromaticContact CE1-CD2 3.96Å; Y660-F666 HydrophobicContact CE1-CD2 3.96Å; Y660-F666 AromaticContact CE1-CE2 3.15Å; Y660-F666 HydrophobicContact CE1-CE2 3.15Å; Y660-F666 AromaticContact CE1-CZ 3.53Å; Y660-F666 HydrophobicContact CE1-CZ 3.53Å; Y660-F666 HydrophobicContact CE2-CE2 4.43Å; Y660-F666 AromaticContact CG-CD2 3.99Å; Y660-F666 HydrophobicContact CG-CD2 3.99Å; Y660-F666 AromaticContact CG-CE2 3.99Å; Y660-F666 HydrophobicContact CG-CE2 3.99Å; Y660-F666 AromaticContact CZ-CE2 3.76Å; T664-F666 HydrophobicContact CG2-CD1 3.87Å; T664-F666 HydrophobicContact CG2-CE1 3.7Å; F666-V689 HydrophobicContact CB-CG1 4.25Å; F666-V691 HydrophobicContact CE2-CG2 4.26Å; F666-M697 HydrophobicContact CZ-CB 4.35Å; F666-M697 HydrophobicContact CZ-CE 4.11Å; F666-M697 HydrophobicContact CZ-CG 4.05Å; F666-S700 WeakPolarHBondContact CE1-OG 3.33Å |
| 667 | W | 75.6 | Confident | 73.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -87.8 | -28 | 175.6 | -163.9 | -104.8 | 0 | 0 | 0 | 112.7 | N665 G669 F676 C677 P679 E687 V689 R709 A711 Q712 | N665-W667 PolarHBondContact OD1-N 3.36Å; W667-G669 PolarHBondContact O-N 3.23Å; W667-F676 AromaticContact CH2-CD1 3.72Å; W667-F676 HydrophobicContact CH2-CD1 3.72Å; W667-F676 AromaticContact CH2-CE1 3.92Å; W667-F676 HydrophobicContact CH2-CE1 3.92Å; W667-F676 HydrophobicContact CH2-CG 4.28Å; W667-F676 HydrophobicContact CZ2-CB 3.9Å; W667-F676 AromaticContact CZ2-CD1 3.58Å; W667-F676 HydrophobicContact CZ2-CD1 3.58Å; W667-F676 HydrophobicContact CZ2-CE1 4.26Å; W667-F676 AromaticContact CZ2-CG 3.81Å; W667-F676 HydrophobicContact CZ2-CG 3.81Å; W667-C677 PolarHBondContact NE1-O 2.9Å; W667-P679 HydrophobicContact CB-CG 4.4Å; W667-P679 HydrophobicContact CG-CB 4.25Å; W667-P679 HydrophobicContact CG-CG 4.19Å; W667-E687 HydrophobicContact CD2-CB 4Å; W667-E687 HydrophobicContact CD2-CG 3.3Å; W667-E687 HydrophobicContact CE3-CB 3.49Å; W667-E687 VanDerWaalsContact CE3-CB 3.49Å; W667-E687 HydrophobicContact CE3-CG 3.33Å; W667-E687 HydrophobicContact CG-CG 3.86Å; W667-E687 HydrophobicContact CH2-CB 4.31Å; W667-E687 HydrophobicContact CH2-CG 3.92Å; W667-E687 HydrophobicContact CZ2-CG 3.87Å; W667-E687 HydrophobicContact CZ3-CB 3.67Å; W667-E687 HydrophobicContact CZ3-CG 3.66Å; W667-V689 HydrophobicContact CE3-CG2 3.75Å; W667-V689 HydrophobicContact CZ3-CG2 4.09Å; W667-R709 HydrophobicContact CD2-CG 3.81Å; W667-R709 HydrophobicContact CE3-CB 4.08Å; W667-R709 HydrophobicContact CE3-CG 3.5Å; W667-R709 HydrophobicContact CH2-CB 3.86Å; W667-R709 HydrophobicContact CH2-CG 4.03Å; W667-R709 HydrophobicContact CZ2-CB 4.48Å; W667-R709 HydrophobicContact CZ2-CG 4.31Å; W667-R709 HydrophobicContact CZ3-CB 3.64Å; W667-R709 HydrophobicContact CZ3-CG 3.63Å; W667-A711 WeakPolarHBondContact CH2-O 3.22Å; W667-Q712 HydrophobicContact CH2-CG 3.76Å; W667-Q712 VanDerWaalsContact CZ2-CD 3.41Å; W667-Q712 HydrophobicContact CZ2-CG 3.63Å |
| 668 | G | 70 | Confident | 73.1 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | trans | 92.8 | -91 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N665 | N665-G668 PolarHBondContact ND2-O 2.92Å; N665-G668 VanDerWaalsContact ND2-O 3.16Å; N665-G668 PolarHBondContact OD1-N 3.29Å | ||
| 669 | G | 61.1 | Low | 73.1 | Confident | 15 Ų | 15 | 49 Ų | 49 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | -72.8 | 133.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114 | W667 K671 | W667-G669 PolarHBondContact O-N 3.23Å; G669-K671 PolarHBondContact O-N 3.49Å | ||
| 670 | T | 58.6 | Low | 73.3 | Confident | 119 Ų | 119 | 49.8 Ų | 49.8 | 73% | 0.73 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -87.6 | 35.1 | 168.7 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 671 | K | 57.1 | Low | 73.7 | Confident | 162 Ų | 162 | 50.5 Ų | 50.5 | 70% | 0.704 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -146.1 | 149.8 | -179 | -70.1 | -166.6 | 174.6 | -168.3 | 0 | 107.9 | G669 | G669-K671 PolarHBondContact O-N 3.49Š|
| 672 | E | 64.1 | Low | 74.5 | Confident | 149 Ų | 149 | 51.4 Ų | 51.4 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | trans | -64.9 | 136.1 | 170.4 | -58.8 | 176 | 161.7 | 0 | 0 | 109.2 | A678 | E672-A678 HydrophobicContact CG-CB 4.08Š| ||
| 673 | D | 66.6 | Low | 75.3 | Confident | 57 Ų | 57 | 52.1 Ų | 52.1 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | trans | -101.8 | 166.2 | 166.3 | -68.8 | -37 | 0 | 0 | 0 | 108.1 | I675 F676 R709 | D673-I675 PolarHBondContact O-N 2.76Å; D673-F676 PolarHBondContact N-O 3.48Å; D673-F676 PolarHBondContact O-N 2.87Å; D673-R709 IonicContact OD2-CZ 2.85Å; D673-R709 IonicContact OD2-NH1 2.68Å; D673-R709 PolarHBondContact OD2-NH1 2.88Å; D673-R709 IonicContact OD2-NH2 2.74Å; D673-R709 PolarHBondContact OD2-NH2 3.39Å | ||
| 674 | D | 59.6 | Low | 76.3 | Confident | 154 Ų | 154 | 54 Ų | 54 | 82% | 0.824 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -59 | -10.7 | -178.7 | -68 | -51.9 | 0 | 0 | 0 | 114.9 | R531 | R531-D674 PolarHBondContact NH1-O 2.87Å; R531-D674 PolarHBondContact NH2-O 2.87Å |
| 675 | I | 74.1 | Confident | 77.1 | Confident | 56 Ų | 56 | 54.9 Ų | 54.9 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -112 | -48.5 | -180 | -55.8 | 176 | 0 | 0 | 0 | 112.1 | R531 D673 | R531-I675 VanDerWaalsContact CZ-O 3.29Å; R531-I675 PolarHBondContact NE-O 3.39Å; R531-I675 PolarHBondContact NH2-O 2.73Å; R531-I675 VanDerWaalsContact NH2-O 3.1Å; D673-I675 PolarHBondContact O-N 2.76Å |
| 676 | F | 80.2 | Confident | 77.9 | Confident | 17 Ų | 17 | 52.4 Ų | 52.4 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -115.7 | 144.1 | -168.2 | -70 | -72.5 | 0 | 0 | 0 | 112.8 | W667 D673 R709 | W667-F676 AromaticContact CH2-CD1 3.72Å; W667-F676 HydrophobicContact CH2-CD1 3.72Å; W667-F676 AromaticContact CH2-CE1 3.92Å; W667-F676 HydrophobicContact CH2-CE1 3.92Å; W667-F676 HydrophobicContact CH2-CG 4.28Å; W667-F676 HydrophobicContact CZ2-CB 3.9Å; W667-F676 AromaticContact CZ2-CD1 3.58Å; W667-F676 HydrophobicContact CZ2-CD1 3.58Å; W667-F676 HydrophobicContact CZ2-CE1 4.26Å; W667-F676 AromaticContact CZ2-CG 3.81Å; W667-F676 HydrophobicContact CZ2-CG 3.81Å; D673-F676 PolarHBondContact N-O 3.48Å; D673-F676 PolarHBondContact O-N 2.87Å; F676-R709 HydrophobicContact CE2-CB 4.06Å; F676-R709 HydrophobicContact CZ-CB 4.16Å |
| 677 | C | 80.8 | Confident | 78.8 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 29% | 0.291 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -74 | 157.1 | 174.4 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | W667 Q712 | W667-C677 PolarHBondContact NE1-O 2.9Å; C677-Q712 PolarHBondContact O-NE2 3.36Å; C677-Q712 VanDerWaalsContact O-NE2 3.12Å |
| 678 | A | 83 | Confident | 79.6 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -64 | 135.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | E672 | E672-A678 HydrophobicContact CG-CB 4.08Š|
| 679 | P | 86.4 | Confident | 80.5 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 14% | 0.143 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 132.7 | -172.7 | 30.8 | -35 | 0 | 0 | 0 | 110.3 | P658 W667 E687 | P658-P679 HydrophobicContact CB-CB 4.46Å; P658-P679 HydrophobicContact CB-CG 4.09Å; W667-P679 HydrophobicContact CB-CG 4.4Å; W667-P679 HydrophobicContact CG-CB 4.25Å; W667-P679 HydrophobicContact CG-CG 4.19Å; P679-E687 VanDerWaalsContact CB-CD 3.45Å; P679-E687 HydrophobicContact CB-CG 4.1Å; P679-E687 WeakPolarHBondContact CB-OE2 3.09Å |
| 680 | S | 88 | Confident | 81.7 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -132.7 | 167.7 | 174.4 | -152.6 | 0 | 0 | 0 | 0 | 111.5 | D682 | S680-D682 WeakPolarHBondContact CB-OD1 3.29Å; S680-D682 PolarHBondContact OG-OD1 3.48Å | ||
| 681 | F | 91.4 | Very high | 83 | Confident | 18 Ų | 18 | 45.3 Ų | 45.3 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -114.8 | 12 | -179.5 | 59.8 | -96.9 | 0 | 0 | 0 | 112.3 | V233 L234 K259 M260 L261 D262 N656 I657 T754 | V233-F681 HydrophobicContact CG1-CD1 3.58Å; V233-F681 HydrophobicContact CG1-CE1 3.46Å; V233-F681 VanDerWaalsContact CG1-CE1 3.46Å; V233-F681 HydrophobicContact CG1-CZ 4.34Å; L234-F681 HydrophobicContact CD2-CE2 4.14Å; L234-F681 HydrophobicContact CD2-CZ 4.11Å; K259-F681 HydrophobicContact CB-CE2 4.02Å; K259-F681 HydrophobicContact CB-CZ 4.42Å; K259-F681 HydrophobicContact CD-CE2 4.02Å; K259-F681 HydrophobicContact CD-CZ 3.67Å; M260-F681 VanDerWaalsContact O-CD2 3.25Å; M260-F681 WeakPolarHBondContact O-CD2 3.17Å; M260-F681 VanDerWaalsContact O-CE2 3.29Å; M260-F681 WeakPolarHBondContact O-CE2 3.42Å; L261-F681 WeakPolarHBondContact CA-O 3.41Å; L261-F681 HydrophobicContact CB-CD2 4.5Å; L261-F681 HydrophobicContact CD1-CB 3.97Å; L261-F681 HydrophobicContact CD1-CD2 4Å; L261-F681 HydrophobicContact CD1-CG 4.34Å; D262-F681 PolarHBondContact N-O 3.37Å; N656-F681 WeakPolarHBondContact O-CA 3.17Å; N656-F681 WeakPolarHBondContact O-CB 3.12Å; I657-F681 HydrophobicContact CG2-CB 4.04Å; F681-T754 HydrophobicContact CZ-CG2 4.29Å |
| 682 | D | 91.4 | Very high | 84 | Confident | 46 Ų | 46 | 40.7 Ų | 40.7 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -134.3 | 9.3 | -174.6 | 58.8 | 6 | 0 | 0 | 0 | 114.8 | K259 M260 D262 S680 | K259-D682 IonicContact NZ-OD1 3.16Å; K259-D682 IonicContact NZ-OD2 3.74Å; K259-D682 PolarHBondContact NZ-OD2 3.48Å; M260-D682 HydrophobicContact CB-CB 4.2Å; D262-D682 WeakPolarHBondContact OD2-CA 3.09Å; S680-D682 WeakPolarHBondContact CB-OD1 3.29Å; S680-D682 PolarHBondContact OG-OD1 3.48Å |
| 683 | D | 92.1 | Very high | 84.5 | Confident | 51 Ų | 51 | 33.9 Ų | 33.9 | 27% | 0.273 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -106.3 | -4.3 | -176.5 | 65.5 | 6.9 | 0 | 0 | 0 | 115 | D262 I685 | D262-D683 PolarHBondContact OD2-N 3.22Å; D262-D683 VanDerWaalsContact OD2-N 3.15Å; D683-I685 WeakPolarHBondContact OD1-CB 3.44Å; D683-I685 PolarHBondContact OD1-N 3.06Å |
| 684 | K | 93.8 | Very high | 84.6 | Confident | 79 Ų | 79 | 32 Ų | 32 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 62.7 | 35.7 | -173 | -50.6 | -177.3 | 174.8 | -168.6 | 0 | 115.3 | D262 R714 H746 | D262-K684 WeakPolarHBondContact OD1-CG 3.27Å; D262-K684 WeakPolarHBondContact OD2-CA 3.18Å; D262-K684 PolarHBondContact OD2-N 3.36Å; K684-R714 WeakPolarHBondContact O-CG 3.42Å; K684-H746 VanDerWaalsContact CE-NE2 3.3Å; K684-H746 WeakPolarHBondContact CE-NE2 3.4Å |
| 685 | I | 93.2 | Very high | 84.8 | Confident | 25 Ų | 25 | 30.9 Ų | 30.9 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | trans | -114.8 | 153.6 | 173.7 | -58.4 | -179.3 | 0 | 0 | 0 | 109.2 | D683 Q712 C713 | D683-I685 WeakPolarHBondContact OD1-CB 3.44Å; D683-I685 PolarHBondContact OD1-N 3.06Å; I685-Q712 HydrophobicContact CG2-CB 3.65Å; I685-Q712 HydrophobicContact CG2-CG 3.72Å; I685-C713 CarbonylContact C-O 3.58Å | ||
| 686 | L | 94.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.4 | 170.3 | -69.5 | 173.5 | 0 | 0 | 0 | 110 | W264 M578 V654 L655 N656 Q712 C713 V716 I744 | W264-L686 HydrophobicContact CD2-CD1 3.87Å; W264-L686 HydrophobicContact CD2-CD2 3.84Å; W264-L686 HydrophobicContact CD2-CG 3.98Å; W264-L686 HydrophobicContact CE3-CD1 3.57Å; W264-L686 HydrophobicContact CE3-CD2 4.36Å; W264-L686 HydrophobicContact CE3-CG 4Å; W264-L686 HydrophobicContact CG-CD2 4.19Å; W264-L686 HydrophobicContact CH2-CD1 4.13Å; W264-L686 HydrophobicContact CH2-CD2 4.4Å; W264-L686 HydrophobicContact CH2-CG 3.76Å; W264-L686 HydrophobicContact CZ2-CD1 4.38Å; W264-L686 HydrophobicContact CZ2-CD2 3.85Å; W264-L686 HydrophobicContact CZ2-CG 3.71Å; W264-L686 HydrophobicContact CZ3-CD1 3.72Å; W264-L686 HydrophobicContact CZ3-CG 3.9Å; M578-L686 HydrophobicContact CE-CD1 4.19Å; M578-L686 HydrophobicContact CE-CD2 3.56Å; V654-L686 HydrophobicContact CG1-CB 3.95Å; V654-L686 HydrophobicContact CG1-CD1 3.85Å; V654-L686 HydrophobicContact CG1-CD2 4.32Å; V654-L686 HydrophobicContact CG1-CG 4.27Å; L655-L686 WeakPolarHBondContact O-CA 3.31Å; L655-L686 WeakPolarHBondContact O-CD2 3.4Å; N656-L686 HydrophobicContact CB-CD2 3.88Å; L686-Q712 WeakPolarHBondContact O-CA 3.39Å; L686-C713 PolarHBondContact N-O 3.43Å; L686-C713 PolarHBondContact O-N 3.04Å; L686-C713 VanDerWaalsContact O-N 3.14Å; L686-V716 HydrophobicContact CD1-CG2 4.11Å; L686-I744 HydrophobicContact CD1-CB 4.45Å; L686-I744 HydrophobicContact CD1-CG2 3.62Å |
| 687 | E | 92.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.3 | 170 | -79.7 | 78.7 | -132.6 | 0 | 0 | 110.9 | V654 L655 W667 P679 Q712 | V654-E687 CarbonylContact C-O 3.56Å; V654-E687 WeakPolarHBondContact CA-O 3.07Å; L655-E687 HydrophobicContact CB-CB 4.16Å; L655-E687 HydrophobicContact CD1-CB 4.47Å; L655-E687 PolarHBondContact N-O 3.5Å; L655-E687 PolarHBondContact O-N 3.46Å; W667-E687 HydrophobicContact CD2-CB 4Å; W667-E687 HydrophobicContact CD2-CG 3.3Å; W667-E687 HydrophobicContact CE3-CB 3.49Å; W667-E687 VanDerWaalsContact CE3-CB 3.49Å; W667-E687 HydrophobicContact CE3-CG 3.33Å; W667-E687 HydrophobicContact CG-CG 3.86Å; W667-E687 HydrophobicContact CH2-CB 4.31Å; W667-E687 HydrophobicContact CH2-CG 3.92Å; W667-E687 HydrophobicContact CZ2-CG 3.87Å; W667-E687 HydrophobicContact CZ3-CB 3.67Å; W667-E687 HydrophobicContact CZ3-CG 3.66Å; P679-E687 VanDerWaalsContact CB-CD 3.45Å; P679-E687 HydrophobicContact CB-CG 4.1Å; P679-E687 WeakPolarHBondContact CB-OE2 3.09Å; E687-Q712 HydrophobicContact CG-CG 4.1Å; E687-Q712 PolarHBondContact OE1-NE2 3.36Å |
| 688 | V | 92.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.8 | 176 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | L637 I652 V654 I710 A711 V716 | L637-V688 HydrophobicContact CD2-CG1 3.99Å; I652-V688 HydrophobicContact CG2-CG1 3.79Å; V654-V688 HydrophobicContact CG2-CG1 4.29Å; V654-V688 HydrophobicContact CG2-CG2 4.39Å; V688-I710 HydrophobicContact CB-CB 4.38Å; V688-I710 HydrophobicContact CG1-CB 4.31Å; V688-I710 HydrophobicContact CG1-CD1 4.24Å; V688-I710 WeakPolarHBondContact O-CA 3.3Å; V688-I710 WeakPolarHBondContact O-CB 3.12Å; V688-I710 PolarHBondContact O-N 3.44Å; V688-A711 HydrophobicContact CB-CB 4.35Å; V688-A711 PolarHBondContact N-O 2.95Å; V688-A711 PolarHBondContact O-N 3.32Å; V688-V716 HydrophobicContact CG2-CG2 4Å |
| 689 | V | 89.3 | Confident | 81.5 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 136.4 | -169.6 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | A653 L655 F666 W667 H708 | A653-V689 PolarHBondContact N-O 3.21Å; A653-V689 PolarHBondContact O-N 2.98Å; L655-V689 HydrophobicContact CD1-CG2 4.14Å; F666-V689 HydrophobicContact CB-CG1 4.25Å; W667-V689 HydrophobicContact CE3-CG2 3.75Å; W667-V689 HydrophobicContact CZ3-CG2 4.09Å; V689-H708 WeakPolarHBondContact CA-O 3.3Å; V689-H708 HydrophobicContact CG1-CB 3.74Å; V689-H708 VanDerWaalsContact CG1-O 3.31Å; V689-H708 WeakPolarHBondContact CG1-O 3.23Å |
| 690 | A | 87.4 | Confident | 80.3 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 139.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L649 F692 H708 I710 | L649-A690 HydrophobicContact CD2-CB 4.39Å; A690-F692 HydrophobicContact CB-CD2 4.31Å; A690-F692 HydrophobicContact CB-CE1 4.38Å; A690-F692 HydrophobicContact CB-CE2 3.61Å; A690-F692 HydrophobicContact CB-CZ 3.65Å; A690-H708 PolarHBondContact N-O 2.84Å; A690-H708 PolarHBondContact O-CD2 3.45Å; A690-I710 HydrophobicContact CB-CD1 3.92Å; A690-I710 HydrophobicContact CB-CG1 4.07Å |
| 691 | V | 84.4 | Confident | 78.7 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 99.3 | 173.1 | -176 | 0 | 0 | 0 | 0 | 109.1 | Q650 G651 A653 F666 G693 M697 | Q650-V691 CarbonylContact C-O 3.56Å; Q650-V691 WeakPolarHBondContact CA-O 3.44Å; Q650-V691 PolarHBondContact N-O 3.2Å; G651-V691 PolarHBondContact N-O 3.5Å; G651-V691 WeakPolarHBondContact O-CA 3.26Å; G651-V691 WeakPolarHBondContact O-CB 3.49Å; G651-V691 PolarHBondContact O-N 3.35Å; A653-V691 HydrophobicContact CB-CG2 4.46Å; F666-V691 HydrophobicContact CE2-CG2 4.26Å; V691-G693 VanDerWaalsContact C-N 3.34Å; V691-M697 HydrophobicContact CG1-CG 3.73Å; V691-M697 HydrophobicContact CG1-SD 3.66Å |
| 692 | F | 78.6 | Confident | 76.7 | Confident | 64 Ų | 64 | 45.9 Ų | 45.9 | 28% | 0.281 | 24% | 0.241 | S | C | . | . | trans | -82.3 | -8.4 | -178.7 | -52 | -92 | 0 | 0 | 0 | 114 | P647 S648 L649 Q650 A690 H708 | P647-F692 HydrophobicContact CB-CE1 4.12Å; P647-F692 HydrophobicContact CG-CE1 3.74Å; P647-F692 HydrophobicContact CG-CZ 4.03Å; S648-F692 VanDerWaalsContact O-CD1 3.3Å; S648-F692 WeakPolarHBondContact O-CD1 3.46Å; L649-F692 HydrophobicContact CB-CD1 4.24Å; L649-F692 HydrophobicContact CB-CE1 4.5Å; Q650-F692 VanDerWaalsContact CD-O 3.26Å; Q650-F692 WeakPolarHBondContact CG-O 3.29Å; Q650-F692 PolarHBondContact NE2-O 3.34Å; A690-F692 HydrophobicContact CB-CD2 4.31Å; A690-F692 HydrophobicContact CB-CE1 4.38Å; A690-F692 HydrophobicContact CB-CE2 3.61Å; A690-F692 HydrophobicContact CB-CZ 3.65Å; F692-H708 AromaticContact CD2-CD2 3.52Å; F692-H708 AromaticContact CD2-NE2 3.61Å; F692-H708 AromaticContact CE2-CD2 3.64Å; F692-H708 AromaticContact CE2-NE2 3.98Å | ||
| 693 | G | 73.9 | Confident | 75 | Confident | 7 Ų | 7 | 48.3 Ų | 48.3 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | trans | 158.5 | 161.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V691 M695 Q696 M697 | V691-G693 VanDerWaalsContact C-N 3.34Å; G693-M695 VanDerWaalsContact C-N 3.32Å; G693-M695 PolarHBondContact O-N 3.47Å; G693-Q696 WeakPolarHBondContact O-CB 3.48Å; G693-Q696 PolarHBondContact O-N 3.13Å; G693-M697 PolarHBondContact O-N 3.37Å | ||
| 694 | S | 68.6 | Low | 73.1 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -29.8 | -172.2 | 46.6 | 0 | 0 | 0 | 0 | 114.7 | L623 Q696 M697 A698 | L623-S694 VanDerWaalsContact CA-OG 3.26Å; L623-S694 WeakPolarHBondContact CA-OG 3.46Å; L623-S694 WeakPolarHBondContact CB-OG 3.48Å; L623-S694 WeakPolarHBondContact CD1-OG 3.38Å; S694-Q696 VanDerWaalsContact C-N 3.29Å; S694-Q696 PolarHBondContact O-N 3.05Å; S694-M697 WeakPolarHBondContact O-CB 3.21Å; S694-M697 PolarHBondContact O-N 3.31Å; S694-A698 PolarHBondContact O-N 3.4Å |
| 695 | M | 63.7 | Low | 71.3 | Confident | 131 Ų | 131 | 52.1 Ų | 52.1 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 172.8 | -178.8 | 170.2 | 153.4 | 0 | 0 | 111.8 | L623 G693 A698 V699 | L623-M695 HydrophobicContact CD1-CB 3.83Å; G693-M695 VanDerWaalsContact C-N 3.32Å; G693-M695 PolarHBondContact O-N 3.47Å; M695-A698 PolarHBondContact O-N 2.64Å; M695-V699 WeakPolarHBondContact O-CG2 3.44Å; M695-V699 PolarHBondContact O-N 3.12Å |
| 696 | Q | 63.6 | Low | 69.5 | Low | 74 Ų | 74 | 55.2 Ų | 55.2 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.2 | -38.8 | 176.7 | -57.8 | -175.8 | 2.6 | 0 | 0 | 111.1 | G693 S694 A698 V699 S700 L705 H708 | G693-Q696 WeakPolarHBondContact O-CB 3.48Å; G693-Q696 PolarHBondContact O-N 3.13Å; S694-Q696 VanDerWaalsContact C-N 3.29Å; S694-Q696 PolarHBondContact O-N 3.05Å; Q696-A698 VanDerWaalsContact C-N 3.29Å; Q696-A698 PolarHBondContact O-N 3.24Å; Q696-V699 PolarHBondContact O-N 2.89Å; Q696-S700 WeakPolarHBondContact O-CB 3.43Å; Q696-S700 PolarHBondContact O-N 2.68Å; Q696-L705 HydrophobicContact CB-CD1 4.41Å; Q696-H708 PolarHBondContact OE1-NE2 2.83Å |
| 697 | M | 65.8 | Low | 67.7 | Low | 27 Ų | 27 | 63.3 Ų | 63.3 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.5 | -42.2 | 172.1 | -58.3 | 174.1 | 76 | 0 | 0 | 111.2 | L586 D587 Y660 F666 V691 G693 S694 S700 | L586-M697 HydrophobicContact CD2-SD 4.27Å; D587-M697 HydrophobicContact CB-CE 3.86Å; D587-M697 WeakPolarHBondContact OD1-CE 3.44Å; Y660-M697 HydrophobicContact CE1-CE 4.19Å; F666-M697 HydrophobicContact CZ-CB 4.35Å; F666-M697 HydrophobicContact CZ-CE 4.11Å; F666-M697 HydrophobicContact CZ-CG 4.05Å; V691-M697 HydrophobicContact CG1-CG 3.73Å; V691-M697 HydrophobicContact CG1-SD 3.66Å; G693-M697 PolarHBondContact O-N 3.37Å; S694-M697 WeakPolarHBondContact O-CB 3.21Å; S694-M697 PolarHBondContact O-N 3.31Å; M697-S700 PolarHBondContact O-OG 2.93Å |
| 698 | A | 60.6 | Low | 66.7 | Low | 64 Ų | 64 | 64.6 Ų | 64.6 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S694 M695 Q696 S700 R701 | S694-A698 PolarHBondContact O-N 3.4Å; M695-A698 PolarHBondContact O-N 2.64Å; Q696-A698 VanDerWaalsContact C-N 3.29Å; Q696-A698 PolarHBondContact O-N 3.24Å; A698-S700 VanDerWaalsContact C-N 3.34Å; A698-S700 PolarHBondContact O-N 3.49Å; A698-R701 PolarHBondContact O-N 3.02Å |
| 699 | V | 59.3 | Low | 66.4 | Low | 56 Ų | 56 | 66.9 Ų | 66.9 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.2 | -31.6 | -179.4 | 170.7 | 0 | 0 | 0 | 0 | 112.7 | M695 Q696 R701 V702 I703 | M695-V699 WeakPolarHBondContact O-CG2 3.44Å; M695-V699 PolarHBondContact O-N 3.12Å; Q696-V699 PolarHBondContact O-N 2.89Å; V699-R701 PolarHBondContact O-N 2.83Å; V699-V702 PolarHBondContact O-N 3.27Å; V699-I703 HydrophobicContact CG1-CB 4.2Å; V699-I703 HydrophobicContact CG1-CD1 3.98Å; V699-I703 HydrophobicContact CG1-CG1 4.23Å; V699-I703 PolarHBondContact O-N 3.12Å |
| 700 | S | 60.9 | Low | 66.3 | Low | 17 Ų | 17 | 67.4 Ų | 67.4 | 12% | 0.119 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.4 | 179.5 | 73.4 | 0 | 0 | 0 | 0 | 114.7 | T664 F666 Q696 M697 A698 V702 I703 | T664-S700 WeakPolarHBondContact CG2-OG 3.46Å; F666-S700 WeakPolarHBondContact CE1-OG 3.33Å; Q696-S700 WeakPolarHBondContact O-CB 3.43Å; Q696-S700 PolarHBondContact O-N 2.68Å; M697-S700 PolarHBondContact O-OG 2.93Å; A698-S700 VanDerWaalsContact C-N 3.34Å; A698-S700 PolarHBondContact O-N 3.49Å; S700-V702 VanDerWaalsContact C-N 3.28Å; S700-I703 WeakPolarHBondContact CA-O 3.42Å |
| 701 | R | 55.9 | Low | 66.4 | Low | 162 Ų | 162 | 67.3 Ų | 67.3 | 61% | 0.611 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.3 | 173.2 | -70 | -179.7 | 170 | 172.8 | -1.8 | 113.8 | A661 T664 A698 V699 | A661-R701 PolarHBondContact O-NH2 3.31Å; T664-R701 HydrophobicContact CG2-CG 3.72Å; T664-R701 PolarHBondContact OG1-NE 3.1Å; A698-R701 PolarHBondContact O-N 3.02Å; V699-R701 PolarHBondContact O-N 2.83Å |
| 702 | V | 49.3 | Very low | 66.8 | Low | 130 Ų | 130 | 67.3 Ų | 67.3 | 79% | 0.788 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | -32.2 | -176.9 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | V699 S700 | V699-V702 PolarHBondContact O-N 3.27Å; S700-V702 VanDerWaalsContact C-N 3.28Å |
| 703 | I | 54.8 | Low | 67.5 | Low | 98 Ų | 98 | 64.4 Ų | 64.4 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -125.5 | 135 | -176.4 | -55.4 | -179.5 | 0 | 0 | 0 | 110 | V699 S700 L705 | V699-I703 HydrophobicContact CG1-CB 4.2Å; V699-I703 HydrophobicContact CG1-CD1 3.98Å; V699-I703 HydrophobicContact CG1-CG1 4.23Å; V699-I703 PolarHBondContact O-N 3.12Å; S700-I703 WeakPolarHBondContact CA-O 3.42Å; I703-L705 HydrophobicContact CG2-CD2 4.46Å; I703-L705 PolarHBondContact O-N 3.03Å |
| 704 | K | 53.3 | Low | 68.4 | Low | 164 Ų | 164 | 71.7 Ų | 71.7 | 71% | 0.713 | 35% | 0.349 | S | S | * | . | trans | -71.1 | 98.2 | 173.8 | -70.3 | -176 | 177.3 | -177.9 | 0 | 110.8 | ||||
| 705 | L | 55 | Low | 69.6 | Low | 46 Ų | 46 | 73 Ų | 73 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | trans | -86 | 106.8 | 173.5 | -61.8 | 176.1 | 0 | 0 | 0 | 109.7 | Q696 I703 | Q696-L705 HydrophobicContact CB-CD1 4.41Å; I703-L705 HydrophobicContact CG2-CD2 4.46Å; I703-L705 PolarHBondContact O-N 3.03Å | ||
| 706 | Q | 56.3 | Low | 71.1 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 42% | 0.421 | 33% | 0.326 | S | S | . | . | trans | -91.1 | -7.8 | 179.1 | -69.5 | 179.9 | -82.3 | 0 | 0 | 114 | H708 R709 | Q706-H708 VanDerWaalsContact C-N 3.27Å; Q706-H708 PolarHBondContact O-N 2.92Å; Q706-R709 PolarHBondContact O-NE 3.28Å | ||
| 707 | H | 55.7 | Low | 72.7 | Confident | 169 Ų | 169 | 65.5 Ų | 65.5 | 78% | 0.782 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 14.7 | -167.4 | -61.5 | 107 | 0 | 0 | 0 | 114.7 | ||
| 708 | H | 72.6 | Confident | 74 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 13% | 0.125 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -7.2 | -166.4 | -65.5 | 69 | 0 | 0 | 0 | 113.9 | V689 A690 F692 Q696 Q706 | V689-H708 WeakPolarHBondContact CA-O 3.3Å; V689-H708 HydrophobicContact CG1-CB 3.74Å; V689-H708 VanDerWaalsContact CG1-O 3.31Å; V689-H708 WeakPolarHBondContact CG1-O 3.23Å; A690-H708 PolarHBondContact N-O 2.84Å; A690-H708 PolarHBondContact O-CD2 3.45Å; F692-H708 AromaticContact CD2-CD2 3.52Å; F692-H708 AromaticContact CD2-NE2 3.61Å; F692-H708 AromaticContact CE2-CD2 3.64Å; F692-H708 AromaticContact CE2-NE2 3.98Å; Q696-H708 PolarHBondContact OE1-NE2 2.83Å; Q706-H708 VanDerWaalsContact C-N 3.27Å; Q706-H708 PolarHBondContact O-N 2.92Å |
| 709 | R | 84.9 | Confident | 75.6 | Confident | 49 Ų | 49 | 62 Ų | 62 | 19% | 0.185 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 125.5 | -177 | -60 | -177.4 | -78.1 | -174.3 | -1.2 | 110.5 | W667 D673 F676 Q706 | W667-R709 HydrophobicContact CD2-CG 3.81Å; W667-R709 HydrophobicContact CE3-CB 4.08Å; W667-R709 HydrophobicContact CE3-CG 3.5Å; W667-R709 HydrophobicContact CH2-CB 3.86Å; W667-R709 HydrophobicContact CH2-CG 4.03Å; W667-R709 HydrophobicContact CZ2-CB 4.48Å; W667-R709 HydrophobicContact CZ2-CG 4.31Å; W667-R709 HydrophobicContact CZ3-CB 3.64Å; W667-R709 HydrophobicContact CZ3-CG 3.63Å; D673-R709 IonicContact OD2-CZ 2.85Å; D673-R709 IonicContact OD2-NH1 2.68Å; D673-R709 PolarHBondContact OD2-NH1 2.88Å; D673-R709 IonicContact OD2-NH2 2.74Å; D673-R709 PolarHBondContact OD2-NH2 3.39Å; F676-R709 HydrophobicContact CE2-CB 4.06Å; F676-R709 HydrophobicContact CZ-CB 4.16Å; Q706-R709 PolarHBondContact O-NE 3.28Å |
| 710 | I | 87 | Confident | 77.1 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -59.4 | 176.6 | -56.9 | 178 | 0 | 0 | 0 | 109.9 | L637 I644 L646 V688 A690 | L637-I710 HydrophobicContact CD2-CD1 4.42Å; L637-I710 HydrophobicContact CD2-CG2 4.09Å; I644-I710 HydrophobicContact CD1-CG2 4.02Å; I644-I710 HydrophobicContact CG2-CG2 3.75Å; L646-I710 HydrophobicContact CD2-CD1 4.31Å; V688-I710 HydrophobicContact CB-CB 4.38Å; V688-I710 HydrophobicContact CG1-CB 4.31Å; V688-I710 HydrophobicContact CG1-CD1 4.24Å; V688-I710 WeakPolarHBondContact O-CA 3.3Å; V688-I710 WeakPolarHBondContact O-CB 3.12Å; V688-I710 PolarHBondContact O-N 3.44Å; A690-I710 HydrophobicContact CB-CD1 3.92Å; A690-I710 HydrophobicContact CB-CG1 4.07Å |
| 711 | A | 90.2 | Very high | 78.3 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 162.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I644 W667 V688 | I644-A711 HydrophobicContact CD1-CB 3.76Å; W667-A711 WeakPolarHBondContact CH2-O 3.22Å; V688-A711 HydrophobicContact CB-CB 4.35Å; V688-A711 PolarHBondContact N-O 2.95Å; V688-A711 PolarHBondContact O-N 3.32Å |
| 712 | Q | 91.7 | Very high | 79.7 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.5 | 162 | -99.4 | 170.8 | -32.1 | 0 | 0 | 106.7 | W667 C677 I685 L686 E687 | W667-Q712 HydrophobicContact CH2-CG 3.76Å; W667-Q712 VanDerWaalsContact CZ2-CD 3.41Å; W667-Q712 HydrophobicContact CZ2-CG 3.63Å; C677-Q712 PolarHBondContact O-NE2 3.36Å; C677-Q712 VanDerWaalsContact O-NE2 3.12Å; I685-Q712 HydrophobicContact CG2-CB 3.65Å; I685-Q712 HydrophobicContact CG2-CG 3.72Å; L686-Q712 WeakPolarHBondContact O-CA 3.39Å; E687-Q712 HydrophobicContact CG-CG 4.1Å; E687-Q712 PolarHBondContact OE1-NE2 3.36Å |
| 713 | C | 93.3 | Very high | 81.1 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 165.4 | -169.9 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | C639 D640 I685 L686 V716 | C639-C713 HydrophobicContact CB-CB 3.86Å; D640-C713 VanDerWaalsContact OD2-CA 3.3Å; D640-C713 WeakPolarHBondContact OD2-CA 3.43Å; D640-C713 WeakPolarHBondContact OD2-CB 3.12Å; I685-C713 CarbonylContact C-O 3.58Å; L686-C713 PolarHBondContact N-O 3.43Å; L686-C713 PolarHBondContact O-N 3.04Å; L686-C713 VanDerWaalsContact O-N 3.14Å; C713-V716 VanDerWaalsContact SG-CG2 3.57Å |
| 714 | R | 93.2 | Very high | 82.5 | Confident | 159 Ų | 159 | 57.7 Ų | 57.7 | 60% | 0.6 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -100.7 | -12.3 | -178.4 | -60.2 | -168.9 | 166.3 | 158.3 | 0.9 | 114.3 | W264 D640 K684 | W264-R714 WeakPolarHBondContact CZ3-O 3.21Å; D640-R714 VanDerWaalsContact CG-N 3.29Å; D640-R714 WeakPolarHBondContact OD1-CA 3.49Å; D640-R714 PolarHBondContact OD1-N 2.83Å; D640-R714 PolarHBondContact OD2-N 3.42Å; K684-R714 WeakPolarHBondContact O-CG 3.42Å |
| 715 | T | 94.3 | Very high | 84 | Confident | 45 Ų | 45 | 51 Ų | 51 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 132.2 | 176.5 | 51.7 | 0 | 0 | 0 | 0 | 109.1 | C639 D640 I744 Q745 | C639-T715 WeakPolarHBondContact CA-O 3.48Å; D640-T715 WeakPolarHBondContact CA-OG1 3.46Å; D640-T715 PolarHBondContact N-O 3.04Å; D640-T715 PolarHBondContact OD1-N 3.33Å; D640-T715 PolarHBondContact OD1-OG1 3.04Å; T715-I744 WeakPolarHBondContact CA-O 3.5Å; T715-Q745 HydrophobicContact CG2-CB 4.3Å |
| 716 | V | 96.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131.4 | 174.7 | -172.1 | 0 | 0 | 0 | 0 | 108 | L637 V654 L686 V688 C713 I718 K743 I744 | L637-V716 HydrophobicContact CD1-CG1 3.63Å; V654-V716 HydrophobicContact CG1-CG2 4.04Å; V654-V716 HydrophobicContact CG2-CG1 4.34Å; L686-V716 HydrophobicContact CD1-CG2 4.11Å; V688-V716 HydrophobicContact CG2-CG2 4Å; C713-V716 VanDerWaalsContact SG-CG2 3.57Å; V716-I718 HydrophobicContact CG1-CD1 4.16Å; V716-I718 HydrophobicContact CG1-CG1 3.85Å; V716-K743 CarbonylContact O-C 3.55Å; V716-K743 WeakPolarHBondContact O-CA 3.34Å; V716-I744 HydrophobicContact CB-CB 4.17Å; V716-I744 HydrophobicContact CB-CD1 4.42Å; V716-I744 HydrophobicContact CB-CG1 4.41Å; V716-I744 PolarHBondContact N-O 2.8Å; V716-I744 VanDerWaalsContact N-O 3.11Å; V716-I744 PolarHBondContact O-N 3.42Å |
| 717 | K | 95.3 | Very high | 87.4 | Confident | 47 Ų | 47 | 44.6 Ų | 44.6 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.2 | 172 | 170 | 174.6 | 156.4 | -134.4 | 0 | 108.4 | E638 V741 I742 | E638-K717 HydrophobicContact CB-CB 4.12Å; E638-K717 HydrophobicContact CB-CG 4.48Å; E638-K717 PolarHBondContact N-O 3.27Å; E638-K717 PolarHBondContact O-N 3.46Å; E638-K717 IonicContact OE1-NZ 2.71Å; E638-K717 WeakPolarHBondContact OE2-CE 3.4Å; E638-K717 IonicContact OE2-NZ 3.82Å; E638-K717 PolarHBondContact OE2-NZ 3.2Å; K717-V741 HydrophobicContact CD-CG1 3.94Å; K717-V741 HydrophobicContact CG-CG1 3.64Å; K717-I742 CarbonylContact C-O 3.58Å; K717-I742 WeakPolarHBondContact CA-O 3.3Å |
| 718 | I | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 112.3 | -175.4 | -54.6 | -178.2 | 0 | 0 | 0 | 106.9 | F582 I584 V635 Q636 L637 V716 I742 | F582-I718 HydrophobicContact CD1-CD1 4.3Å; F582-I718 HydrophobicContact CE1-CD1 3.52Å; F582-I718 HydrophobicContact CZ-CD1 3.98Å; I584-I718 HydrophobicContact CD1-CG2 4.16Å; V635-I718 HydrophobicContact CG1-CG2 3.4Å; Q636-I718 WeakPolarHBondContact O-CA 3.44Å; L637-I718 HydrophobicContact CD1-CG1 4.16Å; V716-I718 HydrophobicContact CG1-CD1 4.16Å; V716-I718 HydrophobicContact CG1-CG1 3.85Å; I718-I742 HydrophobicContact CB-CB 4.29Å; I718-I742 PolarHBondContact N-O 3.1Å; I718-I742 PolarHBondContact O-N 2.86Å |
| 719 | T | 92.9 | Very high | 90.2 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 10% | 0.104 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116.5 | 177.1 | -53 | 0 | 0 | 0 | 0 | 108.8 | V635 Q636 L721 V741 | V635-T719 WeakPolarHBondContact CA-O 3.47Å; Q636-T719 PolarHBondContact N-O 3.35Å; Q636-T719 PolarHBondContact O-N 3.18Å; T719-L721 HydrophobicContact CG2-CD2 3.84Å; T719-V741 HydrophobicContact CG2-CG2 4.2Å |
| 720 | I | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.5 | 172.8 | -63.7 | 168.3 | 0 | 0 | 0 | 108.2 | I584 K634 V726 Q737 G740 I742 | I584-I720 HydrophobicContact CD1-CD1 4.15Å; I584-I720 HydrophobicContact CD1-CG1 4.16Å; K634-I720 WeakPolarHBondContact O-CA 3.29Å; I720-V726 HydrophobicContact CD1-CB 4.26Å; I720-V726 HydrophobicContact CG2-CB 4.45Å; I720-V726 HydrophobicContact CG2-CG2 3.69Å; I720-Q737 HydrophobicContact CD1-CB 4.11Å; I720-Q737 HydrophobicContact CD1-CG 3.75Å; I720-G740 PolarHBondContact N-O 3.47Å; I720-G740 PolarHBondContact O-N 2.79Å; I720-I742 HydrophobicContact CD1-CD1 3.99Å; I720-I742 HydrophobicContact CD1-CG1 4.47Å |
| 721 | L | 87 | Confident | 90.7 | Very high | 64 Ų | 64 | 34.1 Ų | 34.1 | 34% | 0.335 | 18% | 0.184 | S | C | . | . | trans | -110.8 | 159.1 | -176.2 | -58.9 | 179.4 | 0 | 0 | 0 | 111.8 | K634 Q636 T719 | K634-L721 PolarHBondContact O-N 3.03Å; Q636-L721 HydrophobicContact CG-CD1 3.92Å; T719-L721 HydrophobicContact CG2-CD2 3.84Å | ||
| 722 | G | 83.4 | Confident | 90.4 | Very high | 49 Ų | 49 | 35.8 Ų | 35.8 | 51% | 0.505 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 83.7 | -174.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P739 | G722-P739 VanDerWaalsContact O-CB 3.25Å; G722-P739 WeakPolarHBondContact O-CB 3.48Å; G722-P739 WeakPolarHBondContact O-CG 3.39Å |
| 723 | D | 79.1 | Confident | 90.2 | Very high | 138 Ų | 138 | 41.7 Ų | 41.7 | 74% | 0.738 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -96.2 | -10.6 | -175.4 | -57.2 | -59.2 | 0 | 0 | 0 | 113.6 | I273 | I273-D723 WeakPolarHBondContact CD1-OD1 3.49Š|
| 724 | E | 84.3 | Confident | 90.1 | Very high | 121 Ų | 121 | 42.2 Ų | 42.2 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -91.3 | 140.5 | 179.4 | -66.6 | -171.6 | 133.7 | 0 | 0 | 112.8 | K634 | K634-E724 IonicContact NZ-OE2 2.75Å; K634-E724 PolarHBondContact NZ-OE2 2.72Å |
| 725 | G | 85.4 | Confident | 90 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 24% | 0.237 | 22% | 0.216 | C | C | . | . | trans | -76.8 | 147.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q737 | G725-Q737 CarbonylContact C-O 3.57Å; G725-Q737 WeakPolarHBondContact CA-O 3.29Å | ||
| 726 | V | 90.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.2 | -177.8 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | I584 Y628 L631 I720 I728 Q737 | I584-V726 HydrophobicContact CD1-CB 4.42Å; I584-V726 HydrophobicContact CD1-CG1 3.9Å; I584-V726 HydrophobicContact CG1-CG1 3.58Å; Y628-V726 HydrophobicContact CE1-CG1 4.33Å; L631-V726 HydrophobicContact CD1-CG1 4.02Å; I720-V726 HydrophobicContact CD1-CB 4.26Å; I720-V726 HydrophobicContact CG2-CB 4.45Å; I720-V726 HydrophobicContact CG2-CG2 3.69Å; V726-I728 PolarHBondContact O-N 2.81Å; V726-Q737 PolarHBondContact N-O 3.16Å; V726-Q737 PolarHBondContact O-N 3.35Å |
| 727 | P | 92.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 129.5 | 174.4 | 25.4 | -34.3 | 0 | 0 | 0 | 111.4 | G585 A588 K589 L592 Y628 W735 I736 | G585-P727 PolarHBondContact N-O 3.34Å; A588-P727 HydrophobicContact CB-CB 4.08Å; A588-P727 VanDerWaalsContact CB-O 3.32Å; A588-P727 WeakPolarHBondContact CB-O 3.48Å; K589-P727 HydrophobicContact CB-CB 4.34Å; K589-P727 HydrophobicContact CB-CG 4Å; L592-P727 HydrophobicContact CD2-CB 4.48Å; Y628-P727 HydrophobicContact CE1-CG 4.32Å; Y628-P727 HydrophobicContact CE2-CG 4.04Å; Y628-P727 VanDerWaalsContact CZ-CD 3.49Å; Y628-P727 WeakPolarHBondContact OH-CD 3.27Å; P727-W735 WeakPolarHBondContact CA-O 3.48Å; P727-I736 HydrophobicContact CB-CD1 3.87Å |
| 728 | I | 93.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156 | 171.1 | 66.1 | 172.9 | 0 | 0 | 0 | 111.6 | F582 G583 I584 A588 V726 A734 W735 Q737 I742 | F582-I728 HydrophobicContact CE2-CB 4.14Å; F582-I728 HydrophobicContact CE2-CD1 4.03Å; F582-I728 HydrophobicContact CE2-CG2 4.35Å; F582-I728 HydrophobicContact CZ-CB 4.2Å; F582-I728 HydrophobicContact CZ-CG2 3.96Å; G583-I728 CarbonylContact O-C 3.51Å; G583-I728 VanDerWaalsContact O-CA 3.24Å; G583-I728 WeakPolarHBondContact O-CA 3.4Å; I584-I728 HydrophobicContact CB-CG2 3.87Å; I584-I728 HydrophobicContact CD1-CG2 3.84Å; I584-I728 HydrophobicContact CG1-CG2 3.72Å; A588-I728 VanDerWaalsContact CB-C 3.46Å; V726-I728 PolarHBondContact O-N 2.81Å; I728-A734 VanDerWaalsContact O-CA 3.31Å; I728-A734 WeakPolarHBondContact O-CA 3.26Å; I728-W735 HydrophobicContact CD1-CD2 4.37Å; I728-W735 VanDerWaalsContact CD1-CE2 3.47Å; I728-W735 HydrophobicContact CD1-CH2 4.14Å; I728-W735 HydrophobicContact CD1-CZ2 3.35Å; I728-W735 HydrophobicContact CG1-CD2 3.96Å; I728-W735 HydrophobicContact CG1-CG 4.38Å; I728-W735 HydrophobicContact CG1-CH2 4.35Å; I728-W735 HydrophobicContact CG1-CZ2 3.8Å; I728-W735 PolarHBondContact N-O 3.36Å; I728-W735 PolarHBondContact O-N 3.17Å; I728-Q737 HydrophobicContact CD1-CB 3.58Å; I728-Q737 HydrophobicContact CD1-CG 3.99Å; I728-Q737 HydrophobicContact CG1-CB 3.82Å; I728-Q737 HydrophobicContact CG2-CB 4.28Å; I728-I742 HydrophobicContact CD1-CD1 3.88Å; I728-I742 HydrophobicContact CG2-CD1 4.16Å |
| 729 | Q | 93 | Very high | 89.2 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 143 | 177 | 166.5 | 158.4 | -102.2 | 0 | 0 | 110.8 | F582 G583 D587 A588 S591 G732 E733 A734 | F582-Q729 CarbonylContact C-O 3.57Å; F582-Q729 VanDerWaalsContact CA-O 3.3Å; F582-Q729 WeakPolarHBondContact CA-O 3.28Å; G583-Q729 PolarHBondContact N-O 2.71Å; G583-Q729 PolarHBondContact O-N 2.8Å; D587-Q729 PolarHBondContact OD2-NE2 2.87Å; D587-Q729 VanDerWaalsContact OD2-NE2 3.14Å; A588-Q729 HydrophobicContact CB-CB 3.94Å; S591-Q729 VanDerWaalsContact CB-CD 3.42Å; S591-Q729 PolarHBondContact OG-NE2 3Å; Q729-G732 VanDerWaalsContact OE1-CA 3.29Å; Q729-E733 CarbonylContact C-O 3.56Å; Q729-E733 VanDerWaalsContact CA-O 3.23Å; Q729-E733 WeakPolarHBondContact CA-O 3.14Å; Q729-A734 HydrophobicContact CB-CB 4.04Å; Q729-A734 HydrophobicContact CG-CB 4.47Å |
| 730 | V | 93.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.6 | 169.1 | 175.3 | 0 | 0 | 0 | 0 | 109 | I266 M578 F582 G732 E733 W735 | I266-V730 HydrophobicContact CD1-CG2 4.47Å; I266-V730 HydrophobicContact CG1-CG1 4.46Å; I266-V730 HydrophobicContact CG1-CG2 4.08Å; M578-V730 HydrophobicContact CB-CG1 3.68Å; M578-V730 HydrophobicContact CG-CG1 4.15Å; F582-V730 HydrophobicContact CB-CG2 4.35Å; F582-V730 HydrophobicContact CD2-CG2 3.7Å; F582-V730 HydrophobicContact CG-CG2 4.47Å; V730-G732 PolarHBondContact O-N 3.42Å; V730-E733 PolarHBondContact N-O 3.46Å; V730-E733 PolarHBondContact O-N 3.18Å; V730-W735 HydrophobicContact CB-CH2 4.26Å; V730-W735 HydrophobicContact CB-CZ3 4.31Å; V730-W735 HydrophobicContact CG2-CH2 3.81Å; V730-W735 HydrophobicContact CG2-CZ3 4.28Å |
| 731 | D | 89.9 | Confident | 89.2 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 12.5 | 174.8 | -67.4 | -0.7 | 0 | 0 | 0 | 117.3 | N579 N580 Y581 | N579-D731 WeakPolarHBondContact CA-OD2 3.21Å; N579-D731 WeakPolarHBondContact CB-OD2 3.4Å; N579-D731 PolarHBondContact N-OD1 2.96Å; N579-D731 PolarHBondContact N-OD2 3.41Å; N579-D731 PolarHBondContact ND2-OD2 3.19Å; N580-D731 WeakPolarHBondContact CA-OD1 3.29Å; N580-D731 VanDerWaalsContact CB-OD1 3.31Å; N580-D731 WeakPolarHBondContact CB-OD1 3.42Å; N580-D731 PolarHBondContact N-OD1 2.93Å; N580-D731 PolarHBondContact N-OD2 3.13Å; Y581-D731 PolarHBondContact N-OD1 2.91Å; Y581-D731 PolarHBondContact O-N 3.32Å |
| 732 | G | 82.8 | Confident | 89.6 | Confident | 38 Ų | 38 | 37.9 Ų | 37.9 | 39% | 0.392 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 110.3 | 1.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q729 V730 | Q729-G732 VanDerWaalsContact OE1-CA 3.29Å; V730-G732 PolarHBondContact O-N 3.42Å |
| 733 | E | 87.9 | Confident | 90.2 | Very high | 132 Ų | 132 | 38.8 Ų | 38.8 | 62% | 0.617 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 129 | 169.3 | -62.5 | -179.9 | 174.5 | 0 | 0 | 108.8 | Q729 V730 | Q729-E733 CarbonylContact C-O 3.56Å; Q729-E733 VanDerWaalsContact CA-O 3.23Å; Q729-E733 WeakPolarHBondContact CA-O 3.14Å; V730-E733 PolarHBondContact N-O 3.46Å; V730-E733 PolarHBondContact O-N 3.18Å |
| 734 | A | 90.9 | Very high | 91 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 12% | 0.124 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 141.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L592 I728 Q729 | L592-A734 HydrophobicContact CB-CB 4.08Å; L592-A734 HydrophobicContact CD1-CB 4.45Å; I728-A734 VanDerWaalsContact O-CA 3.31Å; I728-A734 WeakPolarHBondContact O-CA 3.26Å; Q729-A734 HydrophobicContact CB-CB 4.04Å; Q729-A734 HydrophobicContact CG-CB 4.47Å |
| 735 | W | 91.4 | Very high | 91.5 | Very high | 60 Ų | 60 | 29.1 Ų | 29.1 | 23% | 0.227 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 168.8 | 179.2 | 66.1 | 101.9 | 0 | 0 | 0 | 111.9 | P727 I728 V730 | P727-W735 WeakPolarHBondContact CA-O 3.48Å; I728-W735 HydrophobicContact CD1-CD2 4.37Å; I728-W735 VanDerWaalsContact CD1-CE2 3.47Å; I728-W735 HydrophobicContact CD1-CH2 4.14Å; I728-W735 HydrophobicContact CD1-CZ2 3.35Å; I728-W735 HydrophobicContact CG1-CD2 3.96Å; I728-W735 HydrophobicContact CG1-CG 4.38Å; I728-W735 HydrophobicContact CG1-CH2 4.35Å; I728-W735 HydrophobicContact CG1-CZ2 3.8Å; I728-W735 PolarHBondContact N-O 3.36Å; I728-W735 PolarHBondContact O-N 3.17Å; V730-W735 HydrophobicContact CB-CH2 4.26Å; V730-W735 HydrophobicContact CB-CZ3 4.31Å; V730-W735 HydrophobicContact CG2-CH2 3.81Å; V730-W735 HydrophobicContact CG2-CZ3 4.28Å |
| 736 | I | 91.3 | Very high | 92 | Very high | 88 Ų | 88 | 30.9 Ų | 30.9 | 45% | 0.451 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 121.9 | 167.2 | -58.2 | -60 | 0 | 0 | 0 | 108.4 | L592 P727 | L592-I736 HydrophobicContact CD2-CD1 3.45Å; L592-I736 VanDerWaalsContact CD2-CD1 3.45Å; L592-I736 HydrophobicContact CD2-CG1 3.87Å; P727-I736 HydrophobicContact CB-CD1 3.87Å |
| 737 | Q | 91.4 | Very high | 92 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 120.4 | 175 | 177.2 | 55.9 | 49.1 | 0 | 0 | 109.9 | I720 G725 V726 I728 I742 | I720-Q737 HydrophobicContact CD1-CB 4.11Å; I720-Q737 HydrophobicContact CD1-CG 3.75Å; G725-Q737 CarbonylContact C-O 3.57Å; G725-Q737 WeakPolarHBondContact CA-O 3.29Å; V726-Q737 PolarHBondContact N-O 3.16Å; V726-Q737 PolarHBondContact O-N 3.35Å; I728-Q737 HydrophobicContact CD1-CB 3.58Å; I728-Q737 HydrophobicContact CD1-CG 3.99Å; I728-Q737 HydrophobicContact CG1-CB 3.82Å; I728-Q737 HydrophobicContact CG2-CB 4.28Å; Q737-I742 HydrophobicContact CG-CD1 4.14Å; Q737-I742 HydrophobicContact CG-CG1 4.28Å |
| 738 | P | 90.9 | Very high | 92.1 | Very high | 54 Ų | 54 | 36.1 Ų | 36.1 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -65.5 | 160.8 | 174.2 | 27 | -36 | 0 | 0 | 0 | 112.6 | E270 | E270-P738 HydrophobicContact CG-CG 4.2Š|
| 739 | P | 90.8 | Very high | 92 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 13% | 0.13 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -48.4 | 135.9 | 178.4 | -29.4 | 35.7 | 0 | 0 | 0 | 114.1 | I271 G722 | I271-P739 PolarHBondContact N-O 2.88Å; G722-P739 VanDerWaalsContact O-CB 3.25Å; G722-P739 WeakPolarHBondContact O-CB 3.48Å; G722-P739 WeakPolarHBondContact O-CG 3.39Å |
| 740 | G | 91.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157 | -171.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y269 I720 | Y269-G740 CarbonylContact O-C 3.55Å; Y269-G740 WeakPolarHBondContact O-CA 3.44Å; I720-G740 PolarHBondContact N-O 3.47Å; I720-G740 PolarHBondContact O-N 2.79Å |
| 741 | V | 92.9 | Very high | 92.1 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117 | -179 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | T268 Y269 Y572 K717 T719 | T268-V741 CarbonylContact C-O 3.58Å; T268-V741 WeakPolarHBondContact CA-O 3.34Å; Y269-V741 PolarHBondContact N-O 3.28Å; Y269-V741 PolarHBondContact O-N 2.92Å; Y572-V741 HydrophobicContact CE1-CB 4.31Å; Y572-V741 HydrophobicContact CE1-CG1 4.22Å; Y572-V741 WeakPolarHBondContact OH-CG1 3.5Å; K717-V741 HydrophobicContact CD-CG1 3.94Å; K717-V741 HydrophobicContact CG-CG1 3.64Å; T719-V741 HydrophobicContact CG2-CG2 4.2Å |
| 742 | I | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 135.3 | 165.4 | -47.5 | 172.8 | 0 | 0 | 0 | 107.7 | I266 M267 T268 F582 K717 I718 I720 I728 Q737 | I266-I742 HydrophobicContact CG2-CG2 4.06Å; M267-I742 CarbonylContact O-C 3.51Å; M267-I742 WeakPolarHBondContact O-CA 3.36Å; T268-I742 HydrophobicContact CG2-CG1 4.38Å; T268-I742 HydrophobicContact CG2-CG2 4.47Å; F582-I742 HydrophobicContact CE2-CD1 4.04Å; F582-I742 HydrophobicContact CE2-CG2 4.23Å; F582-I742 HydrophobicContact CZ-CD1 3.77Å; K717-I742 CarbonylContact C-O 3.58Å; K717-I742 WeakPolarHBondContact CA-O 3.3Å; I718-I742 HydrophobicContact CB-CB 4.29Å; I718-I742 PolarHBondContact N-O 3.1Å; I718-I742 PolarHBondContact O-N 2.86Å; I720-I742 HydrophobicContact CD1-CD1 3.99Å; I720-I742 HydrophobicContact CD1-CG1 4.47Å; I728-I742 HydrophobicContact CD1-CD1 3.88Å; I728-I742 HydrophobicContact CG2-CD1 4.16Å; Q737-I742 HydrophobicContact CG-CD1 4.14Å; Q737-I742 HydrophobicContact CG-CG1 4.28Å |
| 743 | K | 95.3 | Very high | 92.8 | Very high | 69 Ų | 69 | 39.5 Ų | 39.5 | 30% | 0.3 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 121.7 | 172.3 | -170.4 | -170.4 | -176.8 | -159.5 | 0 | 110.2 | M267 Y572 V716 | M267-K743 HydrophobicContact CB-CB 4.34Å; M267-K743 WeakPolarHBondContact CB-O 3.24Å; M267-K743 PolarHBondContact N-O 2.89Å; M267-K743 PolarHBondContact O-N 2.65Å; Y572-K743 HydrophobicContact CE1-CB 4.31Å; V716-K743 CarbonylContact O-C 3.55Å; V716-K743 WeakPolarHBondContact O-CA 3.34Å |
| 744 | I | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124 | 175 | -48.5 | -175.4 | 0 | 0 | 0 | 108 | W264 S265 I266 M578 F582 V654 L686 T715 V716 | W264-I744 HydrophobicContact CB-CG2 4.06Å; W264-I744 HydrophobicContact CE3-CG2 4.31Å; S265-I744 WeakPolarHBondContact O-CA 3.33Å; I266-I744 HydrophobicContact CD1-CB 4.25Å; I266-I744 HydrophobicContact CD1-CD1 3.98Å; I266-I744 HydrophobicContact CD1-CG1 3.72Å; I266-I744 HydrophobicContact CD1-CG2 3.87Å; M578-I744 HydrophobicContact CE-CG2 3.97Å; F582-I744 HydrophobicContact CB-CD1 3.98Å; F582-I744 HydrophobicContact CD1-CD1 4.07Å; F582-I744 HydrophobicContact CD2-CD1 4.12Å; F582-I744 HydrophobicContact CG-CD1 3.81Å; V654-I744 HydrophobicContact CB-CD1 4.31Å; V654-I744 HydrophobicContact CG1-CD1 4.16Å; V654-I744 HydrophobicContact CG2-CD1 4.33Å; L686-I744 HydrophobicContact CD1-CB 4.45Å; L686-I744 HydrophobicContact CD1-CG2 3.62Å; T715-I744 WeakPolarHBondContact CA-O 3.5Å; V716-I744 HydrophobicContact CB-CB 4.17Å; V716-I744 HydrophobicContact CB-CD1 4.42Å; V716-I744 HydrophobicContact CB-CG1 4.41Å; V716-I744 PolarHBondContact N-O 2.8Å; V716-I744 VanDerWaalsContact N-O 3.11Å; V716-I744 PolarHBondContact O-N 3.42Å |
| 745 | Q | 94.9 | Very high | 92.9 | Very high | 55 Ų | 55 | 35.3 Ų | 35.3 | 26% | 0.257 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 146 | -178.4 | 61.5 | -176.6 | 18 | 0 | 0 | 111.6 | W264 S265 T715 K747 | W264-Q745 VanDerWaalsContact CE3-C 3.41Å; S265-Q745 PolarHBondContact N-O 3.2Å; S265-Q745 PolarHBondContact O-N 2.94Å; T715-Q745 HydrophobicContact CG2-CB 4.3Å; Q745-K747 PolarHBondContact O-N 3.13Å |
| 746 | H | 95.1 | Very high | 92.4 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 28% | 0.282 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 123.7 | -178.7 | 162.7 | -64.9 | 0 | 0 | 0 | 110.5 | D262 W264 K684 | D262-H746 IonicContact OD1-CD2 2.66Å; D262-H746 IonicContact OD1-NE2 2.7Å; W264-H746 VanDerWaalsContact CE3-CA 3.46Å; W264-H746 HydrophobicContact CE3-CB 3.97Å; W264-H746 HydrophobicContact CH2-CB 4.01Å; W264-H746 HydrophobicContact CZ3-CB 3.68Å; W264-H746 VanDerWaalsContact CZ3-N 3.33Å; K684-H746 VanDerWaalsContact CE-NE2 3.3Å; K684-H746 WeakPolarHBondContact CE-NE2 3.4Å |
| 747 | K | 92.7 | Very high | 91.7 | Very high | 76 Ų | 76 | 37.6 Ų | 37.6 | 33% | 0.33 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | -69.1 | 178 | -174.6 | 173.2 | -174.4 | 159.5 | 0 | 111.2 | R263 E574 V577 Q745 | R263-K747 WeakPolarHBondContact O-CA 3.49Å; R263-K747 WeakPolarHBondContact O-CB 3.36Å; R263-K747 PolarHBondContact O-N 3.35Å; E574-K747 WeakPolarHBondContact OE1-CD 3.27Å; E574-K747 WeakPolarHBondContact OE1-CE 3.39Å; E574-K747 IonicContact OE1-NZ 2.69Å; E574-K747 PolarHBondContact OE1-NZ 2.81Å; E574-K747 IonicContact OE2-NZ 3.93Å; E574-K747 PolarHBondContact OE2-NZ 3.17Å; V577-K747 HydrophobicContact CG1-CD 4.17Å; V577-K747 HydrophobicContact CG2-CD 3.66Å; Q745-K747 PolarHBondContact O-N 3.13Å |
| 748 | N | 92.8 | Very high | 90.7 | Very high | 36 Ų | 36 | 40.6 Ų | 40.6 | 19% | 0.193 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | -170.3 | -178.9 | 71.5 | 17 | 0 | 0 | 0 | 110.4 | D209 R263 | D209-N748 PolarHBondContact OD1-ND2 2.91Å; R263-N748 PolarHBondContact N-O 2.92Å; R263-N748 PolarHBondContact NH1-OD1 3.2Å; R263-N748 PolarHBondContact O-N 2.78Å |
| 749 | R | 92.8 | Very high | 89.9 | Confident | 93 Ų | 93 | 44.2 Ų | 44.2 | 35% | 0.351 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140 | 178.1 | -49.3 | -162.9 | -67 | 179.8 | -0.3 | 110.7 | M260 L261 D262 | M260-R749 HydrophobicContact CE-CB 3.48Å; M260-R749 VanDerWaalsContact CE-CB 3.48Å; L261-R749 CarbonylContact O-C 3.49Å; L261-R749 VanDerWaalsContact O-CA 3.23Å; L261-R749 WeakPolarHBondContact O-CA 3.41Å; D262-R749 WeakPolarHBondContact OD1-CD 3.45Å; D262-R749 WeakPolarHBondContact OD1-CG 3.34Å |
| 750 | A | 93.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 150.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L205 M260 L261 M752 | L205-A750 HydrophobicContact CD2-CB 3.65Å; M260-A750 CarbonylContact C-O 3.53Å; M260-A750 WeakPolarHBondContact CA-O 3.45Å; M260-A750 WeakPolarHBondContact CE-O 3.49Å; L261-A750 PolarHBondContact N-O 2.83Å; L261-A750 PolarHBondContact O-N 3.02Å; A750-M752 HydrophobicContact CB-SD 4.36Å |
| 751 | Q | 94.3 | Very high | 88.4 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 120.5 | 169.6 | -69.6 | -179 | 22.5 | 0 | 0 | 109.5 | K215 Q218 L219 T258 M260 | K215-Q751 PolarHBondContact O-NE2 2.99Å; Q218-Q751 HydrophobicContact CG-CB 4.18Å; L219-Q751 PolarHBondContact N-O 3.05Å; T258-Q751 HydrophobicContact CG2-CB 3.77Å; T258-Q751 HydrophobicContact CG2-CG 4.12Å; M260-Q751 HydrophobicContact CE-CG 4.11Å; M260-Q751 HydrophobicContact SD-CG 3.94Å |
| 752 | M | 94.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.4 | -178 | -59.1 | -61.9 | -72.5 | 0 | 0 | 111 | V201 L219 V221 L234 T258 K259 L261 A750 T754 | V201-M752 HydrophobicContact CG1-CE 4.27Å; L219-M752 HydrophobicContact CB-SD 4.02Å; L219-M752 HydrophobicContact CD2-CE 3.77Å; L219-M752 HydrophobicContact CD2-SD 4.15Å; L219-M752 CarbonylContact O-C 3.55Å; L219-M752 VanDerWaalsContact O-CA 3.31Å; L219-M752 WeakPolarHBondContact O-CA 3.38Å; V221-M752 HydrophobicContact CG2-CE 4.07Å; L234-M752 HydrophobicContact CD1-CB 4.42Å; L234-M752 HydrophobicContact CD1-CE 3.61Å; L234-M752 HydrophobicContact CD2-CB 3.84Å; T258-M752 WeakPolarHBondContact CA-O 3.43Å; K259-M752 PolarHBondContact N-O 3.1Å; K259-M752 PolarHBondContact O-N 3.03Å; L261-M752 HydrophobicContact CB-CG 3.44Å; L261-M752 VanDerWaalsContact CB-CG 3.44Å; L261-M752 HydrophobicContact CD2-CE 4.22Å; L261-M752 HydrophobicContact CD2-CG 3.92Å; L261-M752 HydrophobicContact CD2-SD 4.11Å; L261-M752 HydrophobicContact CG-CG 4.34Å; A750-M752 HydrophobicContact CB-SD 4.36Å; M752-T754 PolarHBondContact O-N 3.21Å |
| 753 | L | 93.5 | Very high | 87 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 116.5 | 176.1 | -66.4 | 172.6 | 0 | 0 | 0 | 110 | R191 Q218 L219 W236 L253 A256 S257 | R191-L753 HydrophobicContact CB-CD1 4.31Å; R191-L753 HydrophobicContact CG-CD1 4.09Å; Q218-L753 HydrophobicContact CB-CD1 4.37Å; Q218-L753 HydrophobicContact CB-CD2 3.92Å; Q218-L753 HydrophobicContact CB-CG 4.03Å; L219-L753 PolarHBondContact O-N 2.69Å; W236-L753 HydrophobicContact CZ2-CB 4.42Å; W236-L753 PolarHBondContact NE1-O 2.63Å; L253-L753 HydrophobicContact CD1-CB 4.31Å; L253-L753 HydrophobicContact CD1-CD1 3.57Å; L253-L753 HydrophobicContact CG-CD1 4.06Å; A256-L753 HydrophobicContact CB-CB 4.13Å; A256-L753 HydrophobicContact CB-CD2 4.32Å; S257-L753 CarbonylContact O-C 3.56Å; S257-L753 WeakPolarHBondContact O-CA 3.29Å |
| 754 | T | 91.5 | Very high | 86.2 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.5 | 179.8 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | L234 S257 K259 F681 M752 | L234-T754 HydrophobicContact CB-CG2 4.32Å; L234-T754 HydrophobicContact CD2-CG2 3.48Å; L234-T754 VanDerWaalsContact CD2-CG2 3.48Å; S257-T754 PolarHBondContact N-O 3.14Å; S257-T754 PolarHBondContact O-N 3.41Å; S257-T754 PolarHBondContact O-OG1 3.11Å; S257-T754 PolarHBondContact OG-O 3.19Å; S257-T754 PolarHBondContact OG-OG1 2.81Å; K259-T754 HydrophobicContact CB-CG2 3.97Å; K259-T754 HydrophobicContact CD-CG2 4.11Å; K259-T754 HydrophobicContact CG-CG2 4.16Å; F681-T754 HydrophobicContact CZ-CG2 4.29Å; M752-T754 PolarHBondContact O-N 3.21Å |
| 755 | R | 88.3 | Confident | 85.3 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 18% | 0.177 | 31% | 0.313 | C | S | . | . | trans | -112.1 | 92.7 | 178.1 | -178 | -177.5 | 158.9 | -122.8 | -18.4 | 110 | L234 W236 R757 E760 | L234-R755 PolarHBondContact O-N 2.93Å; W236-R755 HydrophobicContact CD2-CB 4.25Å; W236-R755 HydrophobicContact CE3-CB 4.42Å; W236-R755 HydrophobicContact CH2-CB 4.29Å; W236-R755 HydrophobicContact CZ2-CB 4.12Å; W236-R755 HydrophobicContact CZ3-CB 4.45Å; W236-R755 PolarHBondContact O-NH1 3.05Å; R755-R757 PolarHBondContact O-N 3.07Å; R755-R757 VanDerWaalsContact O-N 3.12Å; R755-E760 WeakPolarHBondContact CG-OE1 3.24Å; R755-E760 IonicContact CZ-OE1 3.54Å; R755-E760 IonicContact CZ-OE2 3.38Å; R755-E760 IonicContact NE-OE1 2.96Å; R755-E760 PolarHBondContact NE-OE1 3.19Å; R755-E760 IonicContact NE-OE2 3.12Å; R755-E760 PolarHBondContact NE-OE2 3.25Å; R755-E760 IonicContact NH2-OE1 2.79Å; R755-E760 IonicContact NH2-OE2 2.69Å; R755-E760 PolarHBondContact NH2-OE2 3.02Å | ||
| 756 | D | 80.9 | Confident | 84.5 | Confident | 86 Ų | 86 | 67.6 Ų | 67.6 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | trans | -70.2 | 105.8 | 174.1 | -175.8 | -12.3 | 0 | 0 | 0 | 110.6 | A758 F759 E760 | D756-A758 WeakPolarHBondContact OD1-CA 3.43Å; D756-A758 WeakPolarHBondContact OD1-CB 3.14Å; D756-A758 PolarHBondContact OD1-N 3.05Å; D756-F759 HydrophobicContact CB-CB 3.9Å; D756-F759 PolarHBondContact OD1-N 3.06Å; D756-F759 WeakPolarHBondContact OD2-CB 3.48Å; D756-E760 WeakPolarHBondContact O-CB 3.43Å; D756-E760 WeakPolarHBondContact O-CG 3.26Å; D756-E760 PolarHBondContact O-N 2.81Å | ||
| 757 | R | 76 | Confident | 83.9 | Confident | 110 Ų | 110 | 68.5 Ų | 68.5 | 42% | 0.415 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -72.1 | -27.2 | 178.2 | -62.3 | -177.9 | -179.7 | -160.2 | -2.9 | 113.3 | G235 W236 G237 R755 N761 | G235-R757 VanDerWaalsContact O-CZ 3.28Å; G235-R757 PolarHBondContact O-NE 3.38Å; G235-R757 PolarHBondContact O-NH2 3.25Å; W236-R757 PolarHBondContact O-NH2 2.82Å; G237-R757 VanDerWaalsContact CA-NH2 3.35Å; R755-R757 PolarHBondContact O-N 3.07Å; R755-R757 VanDerWaalsContact O-N 3.12Å; R757-N761 VanDerWaalsContact O-CB 3.25Å; R757-N761 WeakPolarHBondContact O-CB 3.44Å; R757-N761 PolarHBondContact O-N 3.39Å; R757-N761 PolarHBondContact O-ND2 3.37Å; R757-N761 VanDerWaalsContact O-ND2 3.15Å |
| 758 | A | 71.3 | Confident | 83.1 | Confident | 65 Ų | 65 | 67.2 Ų | 67.2 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.8 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | D756 N761 T762 | D756-A758 WeakPolarHBondContact OD1-CA 3.43Å; D756-A758 WeakPolarHBondContact OD1-CB 3.14Å; D756-A758 PolarHBondContact OD1-N 3.05Å; A758-N761 PolarHBondContact O-N 3.14Å; A758-T762 WeakPolarHBondContact O-CB 3.31Å; A758-T762 PolarHBondContact O-N 3.34Å; A758-T762 PolarHBondContact O-OG1 3.08Å |
| 759 | F | 74.8 | Confident | 82.4 | Confident | 130 Ų | 130 | 71.4 Ų | 71.4 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -64.1 | -48 | 170.9 | -173.4 | -100.1 | 0 | 0 | 0 | 112.2 | D756 N761 T762 L763 | D756-F759 HydrophobicContact CB-CB 3.9Å; D756-F759 PolarHBondContact OD1-N 3.06Å; D756-F759 WeakPolarHBondContact OD2-CB 3.48Å; F759-N761 VanDerWaalsContact C-N 3.3Å; F759-N761 PolarHBondContact O-N 2.93Å; F759-T762 PolarHBondContact O-N 3.16Å; F759-L763 HydrophobicContact CE1-CD2 4.22Å; F759-L763 VanDerWaalsContact O-CB 3.31Å; F759-L763 WeakPolarHBondContact O-CB 3.41Å; F759-L763 PolarHBondContact O-N 2.86Å |
| 760 | E | 72.6 | Confident | 81.2 | Confident | 45 Ų | 45 | 70.6 Ų | 70.6 | 21% | 0.21 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -53.4 | -45.6 | 174 | -82.9 | -173.7 | 154.6 | 0 | 0 | 112.2 | K252 R755 D756 K764 | K252-E760 WeakPolarHBondContact CG-OE1 3.32Å; R755-E760 WeakPolarHBondContact CG-OE1 3.24Å; R755-E760 IonicContact CZ-OE1 3.54Å; R755-E760 IonicContact CZ-OE2 3.38Å; R755-E760 IonicContact NE-OE1 2.96Å; R755-E760 PolarHBondContact NE-OE1 3.19Å; R755-E760 IonicContact NE-OE2 3.12Å; R755-E760 PolarHBondContact NE-OE2 3.25Å; R755-E760 IonicContact NH2-OE1 2.79Å; R755-E760 IonicContact NH2-OE2 2.69Å; R755-E760 PolarHBondContact NH2-OE2 3.02Å; D756-E760 WeakPolarHBondContact O-CB 3.43Å; D756-E760 WeakPolarHBondContact O-CG 3.26Å; D756-E760 PolarHBondContact O-N 2.81Å; E760-K764 WeakPolarHBondContact O-CB 3.22Å; E760-K764 PolarHBondContact O-N 2.94Å |
| 761 | N | 76.6 | Confident | 80 | Confident | 107 Ų | 107 | 75.5 Ų | 75.5 | 57% | 0.572 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.9 | -36.1 | -179.2 | -74.2 | -20.7 | 0 | 0 | 0 | 112.4 | R757 A758 F759 S765 | R757-N761 VanDerWaalsContact O-CB 3.25Å; R757-N761 WeakPolarHBondContact O-CB 3.44Å; R757-N761 PolarHBondContact O-N 3.39Å; R757-N761 PolarHBondContact O-ND2 3.37Å; R757-N761 VanDerWaalsContact O-ND2 3.15Å; A758-N761 PolarHBondContact O-N 3.14Å; F759-N761 VanDerWaalsContact C-N 3.3Å; F759-N761 PolarHBondContact O-N 2.93Å; N761-S765 VanDerWaalsContact O-CB 3.28Å; N761-S765 WeakPolarHBondContact O-CB 3.18Å; N761-S765 PolarHBondContact O-N 2.96Å |
| 762 | T | 81.3 | Confident | 78.2 | Confident | 97 Ų | 97 | 83.1 Ų | 83.1 | 60% | 0.595 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.4 | -47.4 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | A758 F759 K764 S765 W766 | A758-T762 WeakPolarHBondContact O-CB 3.31Å; A758-T762 PolarHBondContact O-N 3.34Å; A758-T762 PolarHBondContact O-OG1 3.08Å; F759-T762 PolarHBondContact O-N 3.16Å; T762-K764 PolarHBondContact O-N 2.9Å; T762-S765 PolarHBondContact O-N 2.87Å; T762-W766 WeakPolarHBondContact O-CB 3.05Å; T762-W766 PolarHBondContact O-N 3.09Å |
| 763 | L | 77.7 | Confident | 76 | Confident | 63 Ų | 63 | 89 Ų | 89 | 33% | 0.33 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 174.7 | 180 | 64.1 | 0 | 0 | 0 | 110.7 | F759 S765 W766 E767 | F759-L763 HydrophobicContact CE1-CD2 4.22Å; F759-L763 VanDerWaalsContact O-CB 3.31Å; F759-L763 WeakPolarHBondContact O-CB 3.41Å; F759-L763 PolarHBondContact O-N 2.86Å; L763-S765 PolarHBondContact O-N 3.47Å; L763-W766 PolarHBondContact O-N 2.82Å; L763-E767 WeakPolarHBondContact O-CG 3.41Å; L763-E767 PolarHBondContact O-N 3.43Å |
| 764 | K | 78.2 | Confident | 73.3 | Confident | 116 Ų | 116 | 96.2 Ų | 96.2 | 50% | 0.504 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 176 | -173.3 | -176.1 | 174.3 | -160.3 | 0 | 112 | E760 T762 W766 E767 D768 | E760-K764 WeakPolarHBondContact O-CB 3.22Å; E760-K764 PolarHBondContact O-N 2.94Å; T762-K764 PolarHBondContact O-N 2.9Å; K764-W766 PolarHBondContact O-N 3.48Å; K764-E767 PolarHBondContact O-N 3.34Å; K764-D768 WeakPolarHBondContact CE-OD2 3.46Å; K764-D768 IonicContact NZ-OD2 2.8Å; K764-D768 VanDerWaalsContact O-CB 3.29Å; K764-D768 WeakPolarHBondContact O-CB 3.27Å; K764-D768 VanDerWaalsContact O-CG 3.24Å; K764-D768 PolarHBondContact O-N 2.77Å |
| 765 | S | 77.8 | Confident | 70.9 | Confident | 63 Ų | 63 | 100.9 Ų | 100.9 | 44% | 0.441 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.5 | -33.7 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | N761 T762 L763 K769 | N761-S765 VanDerWaalsContact O-CB 3.28Å; N761-S765 WeakPolarHBondContact O-CB 3.18Å; N761-S765 PolarHBondContact O-N 2.96Å; T762-S765 PolarHBondContact O-N 2.87Å; L763-S765 PolarHBondContact O-N 3.47Å; S765-K769 VanDerWaalsContact O-CG 3.29Å; S765-K769 WeakPolarHBondContact O-CG 3.19Å; S765-K769 PolarHBondContact O-N 2.99Å |
| 766 | W | 78.6 | Confident | 68.5 | Low | 162 Ų | 162 | 104.3 Ų | 104.3 | 61% | 0.614 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74.2 | -43.9 | 175.1 | -169.6 | 75 | 0 | 0 | 0 | 112.3 | T762 L763 K764 D768 K769 L770 | T762-W766 WeakPolarHBondContact O-CB 3.05Å; T762-W766 PolarHBondContact O-N 3.09Å; L763-W766 PolarHBondContact O-N 2.82Å; K764-W766 PolarHBondContact O-N 3.48Å; W766-D768 VanDerWaalsContact C-N 3.32Å; W766-D768 PolarHBondContact O-N 2.86Å; W766-K769 PolarHBondContact O-N 3.15Å; W766-L770 HydrophobicContact CD2-CD1 3.9Å; W766-L770 HydrophobicContact CE3-CD1 3.66Å; W766-L770 HydrophobicContact CH2-CD1 3.66Å; W766-L770 HydrophobicContact CZ2-CD1 3.88Å; W766-L770 HydrophobicContact CZ3-CD1 3.54Å; W766-L770 WeakPolarHBondContact O-CG 3.14Å; W766-L770 PolarHBondContact O-N 3.47Å |
| 767 | E | 81.2 | Confident | 66.4 | Low | 79 Ų | 79 | 108.7 Ų | 108.7 | 37% | 0.369 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 171 | -73.5 | -175.2 | -167.4 | 0 | 0 | 112.6 | L763 K764 L770 K771 | L763-E767 WeakPolarHBondContact O-CG 3.41Å; L763-E767 PolarHBondContact O-N 3.43Å; K764-E767 PolarHBondContact O-N 3.34Å; E767-L770 CarbonylContact O-C 3.54Å; E767-L770 PolarHBondContact O-N 3Å; E767-K771 WeakPolarHBondContact O-CD 3.38Å; E767-K771 VanDerWaalsContact O-CE 3.27Å; E767-K771 WeakPolarHBondContact O-CE 3.32Å; E767-K771 VanDerWaalsContact O-CG 3.26Å; E767-K771 WeakPolarHBondContact O-CG 3.37Å; E767-K771 PolarHBondContact O-N 2.82Å; E767-K771 IonicContact OE2-NZ 2.78Å; E767-K771 PolarHBondContact OE2-NZ 3.49Å |
| 768 | D | 77.6 | Confident | 64.5 | Low | 49 Ų | 49 | 114.2 Ų | 114.2 | 26% | 0.262 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.5 | -37.3 | -178.8 | -71.2 | -11.5 | 0 | 0 | 0 | 110.3 | K764 W766 K771 Y772 | K764-D768 WeakPolarHBondContact CE-OD2 3.46Å; K764-D768 IonicContact NZ-OD2 2.8Å; K764-D768 VanDerWaalsContact O-CB 3.29Å; K764-D768 WeakPolarHBondContact O-CB 3.27Å; K764-D768 VanDerWaalsContact O-CG 3.24Å; K764-D768 PolarHBondContact O-N 2.77Å; W766-D768 VanDerWaalsContact C-N 3.32Å; W766-D768 PolarHBondContact O-N 2.86Å; D768-K771 WeakPolarHBondContact O-CB 3.3Å; D768-K771 PolarHBondContact O-N 3.4Å; D768-K771 IonicContact OD1-NZ 2.86Å; D768-K771 PolarHBondContact OD1-NZ 3.09Å; D768-Y772 WeakPolarHBondContact O-CD2 3.36Å; D768-Y772 PolarHBondContact O-N 3.49Å; D768-Y772 VanDerWaalsContact O-N 3.07Å |
| 769 | K | 76.4 | Confident | 62.6 | Low | 125 Ų | 125 | 116.7 Ų | 116.7 | 54% | 0.543 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -55.9 | -49.9 | 165.8 | -76.8 | 174 | 178.9 | -171.1 | 0 | 111.5 | S765 W766 K771 Y772 D773 | S765-K769 VanDerWaalsContact O-CG 3.29Å; S765-K769 WeakPolarHBondContact O-CG 3.19Å; S765-K769 PolarHBondContact O-N 2.99Å; W766-K769 PolarHBondContact O-N 3.15Å; K769-K771 PolarHBondContact O-N 2.9Å; K769-Y772 CarbonylContact O-C 3.5Å; K769-Y772 WeakPolarHBondContact O-CA 3.02Å; K769-Y772 PolarHBondContact O-N 2.76Å; K769-D773 PolarHBondContact O-N 3.16Å |
| 770 | L | 68.7 | Low | 60.7 | Low | 76 Ų | 76 | 119.7 Ų | 119.7 | 40% | 0.398 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.8 | -10 | 174.8 | -69.3 | 173.5 | 0 | 0 | 0 | 115 | W766 E767 K774 | W766-L770 HydrophobicContact CD2-CD1 3.9Å; W766-L770 HydrophobicContact CE3-CD1 3.66Å; W766-L770 HydrophobicContact CH2-CD1 3.66Å; W766-L770 HydrophobicContact CZ2-CD1 3.88Å; W766-L770 HydrophobicContact CZ3-CD1 3.54Å; W766-L770 WeakPolarHBondContact O-CG 3.14Å; W766-L770 PolarHBondContact O-N 3.47Å; E767-L770 CarbonylContact O-C 3.54Å; E767-L770 PolarHBondContact O-N 3Å; L770-K774 WeakPolarHBondContact O-CG 3.24Å |
| 771 | K | 67.5 | Low | 58.8 | Low | 110 Ų | 110 | 124.9 Ų | 124.9 | 48% | 0.478 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -91.8 | -29.4 | 170 | -68.4 | 158.8 | -149.5 | 158.8 | 0 | 111.7 | E767 D768 K769 | E767-K771 WeakPolarHBondContact O-CD 3.38Å; E767-K771 VanDerWaalsContact O-CE 3.27Å; E767-K771 WeakPolarHBondContact O-CE 3.32Å; E767-K771 VanDerWaalsContact O-CG 3.26Å; E767-K771 WeakPolarHBondContact O-CG 3.37Å; E767-K771 PolarHBondContact O-N 2.82Å; E767-K771 IonicContact OE2-NZ 2.78Å; E767-K771 PolarHBondContact OE2-NZ 3.49Å; D768-K771 WeakPolarHBondContact O-CB 3.3Å; D768-K771 PolarHBondContact O-N 3.4Å; D768-K771 IonicContact OD1-NZ 2.86Å; D768-K771 PolarHBondContact OD1-NZ 3.09Å; K769-K771 PolarHBondContact O-N 2.9Å |
| 772 | Y | 56.6 | Low | 56.5 | Low | 202 Ų | 202 | 130.7 Ų | 130.7 | 79% | 0.792 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -79.2 | -35.3 | 171.1 | -73.3 | -70.1 | 0 | 0 | 0 | 112.5 | D768 K769 K774 | D768-Y772 WeakPolarHBondContact O-CD2 3.36Å; D768-Y772 PolarHBondContact O-N 3.49Å; D768-Y772 VanDerWaalsContact O-N 3.07Å; K769-Y772 CarbonylContact O-C 3.5Å; K769-Y772 WeakPolarHBondContact O-CA 3.02Å; K769-Y772 PolarHBondContact O-N 2.76Å; Y772-K774 PolarHBondContact O-N 3.23Å |
| 773 | D | 48.8 | Very low | 54.4 | Low | 122 Ų | 122 | 131.7 Ų | 131.7 | 65% | 0.652 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -73.3 | -1.1 | 174.5 | -63.1 | -34.2 | 0 | 0 | 0 | 113.2 | K769 P775 | K769-D773 PolarHBondContact O-N 3.16Å; D773-P775 WeakPolarHBondContact O-CD 3.34Å |
| 774 | K | 37.3 | Very low | 52.5 | Low | 154 Ų | 154 | 137.6 Ų | 137.6 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -89.5 | 110.5 | 168.3 | -82.4 | -179.2 | -179.4 | -172.6 | 0 | 109.3 | L770 Y772 | L770-K774 WeakPolarHBondContact O-CG 3.24Å; Y772-K774 PolarHBondContact O-N 3.23Å |
| 775 | P | 39.8 | Very low | 50.3 | Low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -59.3 | 145.7 | 172.5 | 26 | -33.9 | 0 | 0 | 0 | 109.8 | D773 | D773-P775 WeakPolarHBondContact O-CD 3.34Š| ||
| 776 | P | 39.3 | Very low | 48.5 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | trans | -59.3 | 142.5 | -179.8 | 24.9 | -34 | 0 | 0 | 0 | 110.6 | R778 | P776-R778 PolarHBondContact O-N 3.22Š| ||
| 777 | L | 37.1 | Very low | 46.9 | Very low | 178 Ų | 178 | 140 Ų | 140 | 93% | 0.932 | 70% | 0.698 | S | S | * | * | trans | -58.3 | 102.1 | 177.2 | -75 | 165.7 | 0 | 0 | 0 | 110 | ||||
| 778 | R | 35 | Very low | 45.7 | Very low | 227 Ų | 227 | 142.6 Ų | 142.6 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | trans | -59.1 | 137.4 | 171.6 | -75.4 | -176.6 | 173.1 | 174.1 | -2.3 | 109.4 | P776 H780 | P776-R778 PolarHBondContact O-N 3.22Å; R778-H780 PolarHBondContact O-N 3.05Å | ||
| 779 | P | 31.3 | Very low | 45.2 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | trans | -54.9 | 132.7 | 162.2 | -23.4 | 34.4 | 0 | 0 | 0 | 110.1 | L781 | P779-L781 VanDerWaalsContact C-N 3.32Å; P779-L781 PolarHBondContact O-N 3.3Å | ||
| 780 | H | 35 | Very low | 44.5 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 89% | 0.889 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -74.1 | 78.4 | -176.9 | -102.9 | -77.1 | 0 | 0 | 0 | 111.9 | R778 | R778-H780 PolarHBondContact O-N 3.05Š|
| 781 | L | 33 | Very low | 44.8 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | -142.6 | 73.2 | 169.4 | -72.9 | 179.5 | 0 | 0 | 0 | 111.2 | P779 | P779-L781 VanDerWaalsContact C-N 3.32Å; P779-L781 PolarHBondContact O-N 3.3Å | ||
| 782 | Y | 28.5 | Very low | 44.9 | Very low | 228 Ų | 228 | 141.6 Ų | 141.6 | 89% | 0.894 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 174 | 149.5 | 130.6 | -110.1 | -95.4 | 0 | 0 | 0 | 109.3 | ||
| 783 | P | 36.8 | Very low | 45.8 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | -71.1 | 148 | -178.2 | -19.2 | 33.9 | 0 | 0 | 0 | 113.6 | ||||
| 784 | Q | 38.2 | Very low | 47.2 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | trans | -79.7 | 129 | 168.8 | -70.3 | 174.1 | -95.9 | 0 | 0 | 111.5 | ||||
| 785 | Q | 32.3 | Very low | 49.1 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | trans | -165.3 | 137.7 | 148.2 | -106.6 | 154.6 | 12.1 | 0 | 0 | 108.7 | ||||
| 786 | S | 39 | Very low | 51 | Low | 111 Ų | 111 | 126.4 Ų | 126.4 | 78% | 0.776 | 65% | 0.653 | S | S | * | * | trans | 27 | 123.7 | 163.8 | 55 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 787 | V | 46.3 | Very low | 53 | Low | 96 Ų | 96 | 123.4 Ų | 123.4 | 58% | 0.582 | 63% | 0.631 | S | S | * | * | -150.9 | 138.8 | 50.2 | -165.2 | 0 | 0 | 0 | 0 | 112.2 | L789 R850 | V787-L789 HydrophobicContact CG1-CB 3.87Å; V787-L789 HydrophobicContact CG1-CD1 4.12Å; V787-L789 HydrophobicContact CG1-CG 4.01Å; V787-R850 PolarHBondContact O-NH1 3.4Å | |||
| 788 | D | 56.1 | Low | 55.2 | Low | 134 Ų | 134 | 115 Ų | 115 | 72% | 0.717 | 59% | 0.587 | S | S | * | * | trans | -89 | 2.5 | 178.2 | -84.8 | -45.2 | 0 | 0 | 0 | 115.3 | R850 | D788-R850 PolarHBondContact O-N 3.49Š| ||
| 789 | L | 65.3 | Low | 57.5 | Low | 74 Ų | 74 | 108.3 Ų | 108.3 | 39% | 0.387 | 57% | 0.565 | S | S | . | * | B | Isolated β-bridge | trans | -96.6 | 148.9 | -178.5 | -53.8 | 170.8 | 0 | 0 | 0 | 109.6 | V787 S847 R850 | V787-L789 HydrophobicContact CG1-CB 3.87Å; V787-L789 HydrophobicContact CG1-CD1 4.12Å; V787-L789 HydrophobicContact CG1-CG 4.01Å; L789-S847 VanDerWaalsContact CD1-OG 3.3Å; L789-S847 WeakPolarHBondContact CD1-OG 3.5Å; L789-S847 WeakPolarHBondContact CD2-OG 3.37Å; L789-R850 PolarHBondContact O-NH2 2.87Å |
| 790 | A | 62.1 | Low | 60 | Low | 13 Ų | 13 | 106.6 Ų | 106.6 | 11% | 0.107 | 55% | 0.548 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 149.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E794 L848 | A790-E794 VanDerWaalsContact CA-OE2 3.26Å; A790-E794 WeakPolarHBondContact CA-OE2 3.28Å; A790-E794 HydrophobicContact CB-CB 4Å; A790-L848 PolarHBondContact N-O 3.06Å |
| 791 | T | 74.8 | Confident | 62.5 | Low | 71 Ų | 71 | 97.4 Ų | 97.4 | 44% | 0.436 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 164.2 | 170.3 | 72.5 | 0 | 0 | 0 | 0 | 110.9 | E793 E794 N795 | T791-E793 PolarHBondContact O-N 3.03Å; T791-E793 PolarHBondContact OG1-N 2.9Å; T791-E794 PolarHBondContact N-OE2 3.26Å; T791-E794 PolarHBondContact O-N 3.1Å; T791-E794 WeakPolarHBondContact OG1-CG 3.48Å; T791-E794 PolarHBondContact OG1-N 3.05Å; T791-N795 VanDerWaalsContact O-CB 3.26Å; T791-N795 WeakPolarHBondContact O-CB 3.47Å; T791-N795 PolarHBondContact O-N 3.31Å |
| 792 | E | 71.1 | Confident | 65.1 | Low | 181 Ų | 181 | 90.3 Ų | 90.3 | 85% | 0.846 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.1 | -33 | 175.8 | -62.7 | -171.6 | 152.2 | 0 | 0 | 111.9 | A796 | E792-A796 WeakPolarHBondContact O-CB 3.46Å; E792-A796 PolarHBondContact O-N 3.07Å |
| 793 | E | 74.7 | Confident | 67.9 | Low | 157 Ų | 157 | 86.2 Ų | 86.2 | 73% | 0.734 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69.5 | -47.8 | 174.5 | -60.5 | 174.4 | 157 | 0 | 0 | 111.9 | T791 N795 A796 L797 | T791-E793 PolarHBondContact O-N 3.03Å; T791-E793 PolarHBondContact OG1-N 2.9Å; E793-N795 VanDerWaalsContact C-N 3.28Å; E793-N795 PolarHBondContact O-N 3.22Å; E793-A796 PolarHBondContact O-N 3.2Å; E793-L797 WeakPolarHBondContact O-CG 3.33Å; E793-L797 PolarHBondContact O-N 3.35Å |
| 794 | E | 77.9 | Confident | 70.4 | Confident | 28 Ų | 28 | 81.1 Ų | 81.1 | 13% | 0.131 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60 | -39 | 174.6 | -72.3 | 174.7 | 157.3 | 0 | 0 | 111.5 | A790 T791 M798 R850 I904 W906 | A790-E794 VanDerWaalsContact CA-OE2 3.26Å; A790-E794 WeakPolarHBondContact CA-OE2 3.28Å; A790-E794 HydrophobicContact CB-CB 4Å; T791-E794 PolarHBondContact N-OE2 3.26Å; T791-E794 PolarHBondContact O-N 3.1Å; T791-E794 WeakPolarHBondContact OG1-CG 3.48Å; T791-E794 PolarHBondContact OG1-N 3.05Å; E794-M798 WeakPolarHBondContact O-CB 3.5Å; E794-M798 PolarHBondContact O-N 3.21Å; E794-R850 IonicContact OE2-NH2 2.92Å; E794-I904 HydrophobicContact CB-CD1 4.31Å; E794-I904 HydrophobicContact CG-CD1 4.14Å; E794-I904 HydrophobicContact CG-CG1 4.39Å; E794-I904 HydrophobicContact CG-CG2 4.37Å; E794-W906 HydrophobicContact CG-CZ2 4.45Å; E794-W906 PolarHBondContact OE1-NE1 3.01Å |
| 795 | N | 78.2 | Confident | 72.8 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69 | -40.8 | 176.7 | -171.9 | 18.2 | 0 | 0 | 0 | 111.6 | T791 E793 M798 Q799 | T791-N795 VanDerWaalsContact O-CB 3.26Å; T791-N795 WeakPolarHBondContact O-CB 3.47Å; T791-N795 PolarHBondContact O-N 3.31Å; E793-N795 VanDerWaalsContact C-N 3.28Å; E793-N795 PolarHBondContact O-N 3.22Å; N795-M798 PolarHBondContact O-N 3.41Å; N795-Q799 VanDerWaalsContact CG-NE2 3.35Å; N795-Q799 PolarHBondContact ND2-NE2 3Å; N795-Q799 WeakPolarHBondContact O-CB 3.47Å; N795-Q799 VanDerWaalsContact O-CG 3.27Å; N795-Q799 WeakPolarHBondContact O-CG 3.46Å; N795-Q799 PolarHBondContact O-N 3.27Å; N795-Q799 PolarHBondContact OD1-NE2 3.26Å |
| 796 | A | 79 | Confident | 75.6 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E792 E793 Q799 M800 | E792-A796 WeakPolarHBondContact O-CB 3.46Å; E792-A796 PolarHBondContact O-N 3.07Å; E793-A796 PolarHBondContact O-N 3.2Å; A796-Q799 PolarHBondContact O-N 3.44Å; A796-M800 PolarHBondContact O-N 3.09Å |
| 797 | L | 82 | Confident | 78 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 29% | 0.288 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 173.9 | -70.8 | 172.1 | 0 | 0 | 0 | 111.6 | E793 Q799 M800 C801 K900 L901 I904 | E793-L797 WeakPolarHBondContact O-CG 3.33Å; E793-L797 PolarHBondContact O-N 3.35Å; L797-Q799 VanDerWaalsContact C-N 3.29Å; L797-Q799 PolarHBondContact O-N 3.5Å; L797-M800 PolarHBondContact O-N 2.9Å; L797-C801 PolarHBondContact O-N 3.29Å; L797-K900 HydrophobicContact CD2-CB 4.35Å; L797-K900 HydrophobicContact CD2-CD 4.49Å; L797-L901 HydrophobicContact CB-CD2 4Å; L797-I904 HydrophobicContact CD1-CD1 4.16Å; L797-I904 HydrophobicContact CD1-CG1 4.44Å |
| 798 | M | 83.8 | Confident | 80.1 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 176.9 | -165.2 | 57.8 | 66.4 | 0 | 0 | 111.9 | E794 N795 M800 C801 A802 M840 L848 A853 V856 A857 L901 L907 | E794-M798 WeakPolarHBondContact O-CB 3.5Å; E794-M798 PolarHBondContact O-N 3.21Å; N795-M798 PolarHBondContact O-N 3.41Å; M798-M800 VanDerWaalsContact C-N 3.32Å; M798-M800 PolarHBondContact O-N 2.89Å; M798-C801 PolarHBondContact O-N 3.29Å; M798-A802 VanDerWaalsContact O-CB 3.27Å; M798-A802 WeakPolarHBondContact O-CB 3.43Å; M798-A802 PolarHBondContact O-N 3.42Å; M798-M840 HydrophobicContact CB-CE 4.08Å; M798-M840 HydrophobicContact CG-CE 3.66Å; M798-M840 HydrophobicContact CG-SD 3.76Å; M798-L848 HydrophobicContact CB-CD2 4.1Å; M798-L848 HydrophobicContact CG-CD2 3.93Å; M798-A853 HydrophobicContact CE-CB 4.05Å; M798-V856 HydrophobicContact SD-CB 4.31Å; M798-V856 HydrophobicContact SD-CG1 3.99Å; M798-A857 HydrophobicContact CE-CB 4.09Å; M798-L901 HydrophobicContact CE-CD1 3.73Å; M798-L901 HydrophobicContact CE-CD2 3.68Å; M798-L901 HydrophobicContact CE-CG 4.34Å; M798-L901 HydrophobicContact SD-CD1 3.75Å; M798-L901 HydrophobicContact SD-CD2 4.25Å; M798-L907 HydrophobicContact CE-CD1 3.53Å |
| 799 | Q | 82.9 | Confident | 81.7 | Confident | 86 Ų | 86 | 54.8 Ų | 54.8 | 40% | 0.402 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.5 | -22 | 173.5 | -73 | 173.8 | 33.2 | 0 | 0 | 113.7 | N795 A796 L797 R803 M840 | N795-Q799 VanDerWaalsContact CG-NE2 3.35Å; N795-Q799 PolarHBondContact ND2-NE2 3Å; N795-Q799 WeakPolarHBondContact O-CB 3.47Å; N795-Q799 VanDerWaalsContact O-CG 3.27Å; N795-Q799 WeakPolarHBondContact O-CG 3.46Å; N795-Q799 PolarHBondContact O-N 3.27Å; N795-Q799 PolarHBondContact OD1-NE2 3.26Å; A796-Q799 PolarHBondContact O-N 3.44Å; L797-Q799 VanDerWaalsContact C-N 3.29Å; L797-Q799 PolarHBondContact O-N 3.5Å; Q799-R803 WeakPolarHBondContact O-CG 3.42Å; Q799-R803 PolarHBondContact O-N 3.38Å; Q799-R803 PolarHBondContact O-NE 3.1Å; Q799-R803 PolarHBondContact O-NH2 3.33Å; Q799-M840 HydrophobicContact CG-CE 3.78Å |
| 800 | M | 84.3 | Confident | 82.9 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -76.3 | -47.4 | 170.2 | -73.6 | -167.4 | 64 | 0 | 0 | 111.3 | A796 L797 M798 A802 R803 A804 | A796-M800 PolarHBondContact O-N 3.09Å; L797-M800 PolarHBondContact O-N 2.9Å; M798-M800 VanDerWaalsContact C-N 3.32Å; M798-M800 PolarHBondContact O-N 2.89Å; M800-A802 VanDerWaalsContact C-N 3.34Å; M800-A802 PolarHBondContact O-N 3.49Å; M800-R803 PolarHBondContact O-N 3.5Å; M800-A804 PolarHBondContact O-N 3.12Å |
| 801 | C | 86.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 175 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | L797 M798 R803 A804 A805 E897 L901 | L797-C801 PolarHBondContact O-N 3.29Å; M798-C801 PolarHBondContact O-N 3.29Å; C801-R803 PolarHBondContact O-N 2.72Å; C801-A804 PolarHBondContact O-N 3.2Å; C801-A805 WeakPolarHBondContact O-CB 3.47Å; C801-A805 PolarHBondContact O-N 2.88Å; C801-E897 HydrophobicContact CB-CB 4Å; C801-L901 HydrophobicContact CB-CD1 3.51Å; C801-L901 HydrophobicContact CB-CG 4.1Å; C801-L901 VanDerWaalsContact SG-CD1 3.53Å |
| 802 | A | 87.1 | Confident | 84.7 | Confident | 6 Ų | 6 | 54 Ų | 54 | 5% | 0.05 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.7 | -44.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | M798 M800 A805 E806 I837 M840 | M798-A802 VanDerWaalsContact O-CB 3.27Å; M798-A802 WeakPolarHBondContact O-CB 3.43Å; M798-A802 PolarHBondContact O-N 3.42Å; M800-A802 VanDerWaalsContact C-N 3.34Å; M800-A802 PolarHBondContact O-N 3.49Å; A802-A805 WeakPolarHBondContact O-CB 3.3Å; A802-A805 PolarHBondContact O-N 2.84Å; A802-E806 WeakPolarHBondContact O-CG 3.37Å; A802-E806 PolarHBondContact O-N 3.33Å; A802-I837 HydrophobicContact CB-CG1 4.36Å; A802-I837 HydrophobicContact CB-CG2 4.05Å; A802-M840 HydrophobicContact CB-CE 4.11Å; A802-M840 HydrophobicContact CB-SD 3.99Å |
| 803 | R | 86.7 | Confident | 85.4 | Confident | 142 Ų | 142 | 48.2 Ų | 48.2 | 54% | 0.536 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.5 | -37.9 | 177.5 | -78.4 | 176.6 | -72.3 | 173.3 | -2.7 | 113 | Q799 M800 C801 A805 E806 E807 | Q799-R803 WeakPolarHBondContact O-CG 3.42Å; Q799-R803 PolarHBondContact O-N 3.38Å; Q799-R803 PolarHBondContact O-NE 3.1Å; Q799-R803 PolarHBondContact O-NH2 3.33Å; M800-R803 PolarHBondContact O-N 3.5Å; C801-R803 PolarHBondContact O-N 2.72Å; R803-A805 VanDerWaalsContact C-N 3.27Å; R803-A805 PolarHBondContact O-N 3.5Å; R803-E806 PolarHBondContact O-N 3.24Å; R803-E807 PolarHBondContact O-N 2.99Å |
| 804 | A | 89.2 | Confident | 85.8 | Confident | 11 Ų | 11 | 44.4 Ų | 44.4 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -35.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M800 C801 L808 L894 E897 | M800-A804 PolarHBondContact O-N 3.12Å; C801-A804 PolarHBondContact O-N 3.2Å; A804-L808 PolarHBondContact O-N 2.82Å; A804-L894 HydrophobicContact CB-CB 4.4Å; A804-L894 HydrophobicContact CB-CD1 3.89Å; A804-E897 HydrophobicContact CB-CG 4.04Å |
| 805 | A | 90.1 | Very high | 86 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.4 | -36.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C801 A802 R803 L808 I809 I837 V860 L894 | C801-A805 WeakPolarHBondContact O-CB 3.47Å; C801-A805 PolarHBondContact O-N 2.88Å; A802-A805 WeakPolarHBondContact O-CB 3.3Å; A802-A805 PolarHBondContact O-N 2.84Å; R803-A805 VanDerWaalsContact C-N 3.27Å; R803-A805 PolarHBondContact O-N 3.5Å; A805-L808 PolarHBondContact O-N 3Å; A805-I809 WeakPolarHBondContact O-CB 3.46Å; A805-I809 WeakPolarHBondContact O-CD1 3.31Å; A805-I809 WeakPolarHBondContact O-CG1 3.47Å; A805-I809 PolarHBondContact O-N 3.43Å; A805-I837 HydrophobicContact CB-CD1 3.68Å; A805-V860 HydrophobicContact CB-CB 4.42Å; A805-V860 HydrophobicContact CB-CG1 3.67Å; A805-V860 HydrophobicContact CB-CG2 3.85Å; A805-L894 HydrophobicContact CB-CD1 4.09Å; A805-L894 HydrophobicContact CB-CD2 4.45Å |
| 806 | E | 89.9 | Confident | 86.2 | Confident | 62 Ų | 62 | 42.4 Ų | 42.4 | 29% | 0.29 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.7 | -39 | 172.3 | -74 | 177.3 | 150.6 | 0 | 0 | 112.4 | A802 R803 I809 T810 I837 | A802-E806 WeakPolarHBondContact O-CG 3.37Å; A802-E806 PolarHBondContact O-N 3.33Å; R803-E806 PolarHBondContact O-N 3.24Å; E806-I809 PolarHBondContact O-N 3.2Å; E806-T810 WeakPolarHBondContact O-CB 3.49Å; E806-T810 PolarHBondContact O-N 2.69Å; E806-T810 PolarHBondContact O-OG1 3.46Å; E806-I837 HydrophobicContact CG-CD1 4.33Å; E806-I837 HydrophobicContact CG-CG2 3.95Å; E806-I837 WeakPolarHBondContact OE1-CG2 3.2Å |
| 807 | E | 90.4 | Very high | 86.3 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.6 | -48 | 172.1 | -178.3 | 63.3 | -160.4 | 0 | 0 | 110.9 | R803 I809 T810 R811 A890 | R803-E807 PolarHBondContact O-N 2.99Å; E807-I809 PolarHBondContact O-N 3.37Å; E807-T810 WeakPolarHBondContact O-CB 3.28Å; E807-T810 PolarHBondContact O-N 3.29Å; E807-T810 VanDerWaalsContact O-N 3.08Å; E807-R811 WeakPolarHBondContact O-CG 3.47Å; E807-R811 PolarHBondContact O-N 2.88Å; E807-R811 IonicContact OE1-CZ 3.85Å; E807-R811 IonicContact OE1-NE 2.81Å; E807-R811 PolarHBondContact OE1-NE 3.42Å; E807-R811 IonicContact OE1-NH2 3.36Å; E807-R811 PolarHBondContact OE1-NH2 2.88Å; E807-A890 HydrophobicContact CG-CB 4.47Å |
| 808 | L | 90.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.3 | -178.1 | 62.2 | 0 | 0 | 0 | 112.1 | A804 A805 T810 R811 I812 L863 T867 L887 A890 L891 L894 | A804-L808 PolarHBondContact O-N 2.82Å; A805-L808 PolarHBondContact O-N 3Å; L808-T810 VanDerWaalsContact C-N 3.26Å; L808-T810 PolarHBondContact O-N 2.81Å; L808-R811 PolarHBondContact O-N 2.87Å; L808-I812 HydrophobicContact CD1-CD1 4.22Å; L808-I812 HydrophobicContact CD1-CG1 4.45Å; L808-I812 HydrophobicContact CG-CD1 3.88Å; L808-I812 WeakPolarHBondContact O-CD1 3.35Å; L808-I812 VanDerWaalsContact O-CG1 3.27Å; L808-I812 WeakPolarHBondContact O-CG1 3.24Å; L808-I812 PolarHBondContact O-N 3.19Å; L808-L863 HydrophobicContact CD2-CD2 4.47Å; L808-L863 HydrophobicContact CD2-CG 4.4Å; L808-T867 HydrophobicContact CD1-CG2 4.46Å; L808-L887 HydrophobicContact CD1-CD1 3.72Å; L808-A890 HydrophobicContact CB-CB 4.42Å; L808-A890 HydrophobicContact CD1-CB 3.95Å; L808-L891 HydrophobicContact CD1-CB 4.23Å; L808-L894 HydrophobicContact CD2-CD2 3.48Å; L808-L894 VanDerWaalsContact CD2-CD2 3.48Å |
| 809 | I | 90 | Very high | 85.4 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 9% | 0.092 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.3 | -42.1 | 173.2 | -74 | 165.2 | 0 | 0 | 0 | 110.5 | A805 E806 E807 I812 C813 V830 A833 I837 L863 | A805-I809 WeakPolarHBondContact O-CB 3.46Å; A805-I809 WeakPolarHBondContact O-CD1 3.31Å; A805-I809 WeakPolarHBondContact O-CG1 3.47Å; A805-I809 PolarHBondContact O-N 3.43Å; E806-I809 PolarHBondContact O-N 3.2Å; E807-I809 PolarHBondContact O-N 3.37Å; I809-I812 PolarHBondContact O-N 2.79Å; I809-C813 WeakPolarHBondContact O-CB 3.47Å; I809-C813 PolarHBondContact O-N 3.42Å; I809-C813 PolarHBondContact O-SG 2.85Å; I809-C813 VanDerWaalsContact O-SG 3.36Å; I809-V830 HydrophobicContact CG1-CG1 4.32Å; I809-V830 HydrophobicContact CG2-CG1 3.89Å; I809-A833 HydrophobicContact CD1-CB 4.19Å; I809-I837 HydrophobicContact CD1-CD1 4.2Å; I809-L863 HydrophobicContact CD1-CD2 4.04Å; I809-L863 HydrophobicContact CG1-CD2 3.54Å |
| 810 | T | 89.8 | Confident | 84.9 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 179.2 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | E806 E807 L808 C813 E814 | E806-T810 WeakPolarHBondContact O-CB 3.49Å; E806-T810 PolarHBondContact O-N 2.69Å; E806-T810 PolarHBondContact O-OG1 3.46Å; E807-T810 WeakPolarHBondContact O-CB 3.28Å; E807-T810 PolarHBondContact O-N 3.29Å; E807-T810 VanDerWaalsContact O-N 3.08Å; L808-T810 VanDerWaalsContact C-N 3.26Å; L808-T810 PolarHBondContact O-N 2.81Å; T810-C813 CarbonylContact O-C 3.58Å; T810-C813 PolarHBondContact O-N 3.36Å; T810-E814 WeakPolarHBondContact O-CG 3.3Å; T810-E814 PolarHBondContact O-N 3.22Å |
| 811 | R | 87.8 | Confident | 84.4 | Confident | 73 Ų | 73 | 49.2 Ų | 49.2 | 28% | 0.275 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 175.6 | -59.2 | -54.8 | 172.5 | 163.7 | -6.5 | 112.7 | E807 L808 E814 A815 L887 A890 | E807-R811 WeakPolarHBondContact O-CG 3.47Å; E807-R811 PolarHBondContact O-N 2.88Å; E807-R811 IonicContact OE1-CZ 3.85Å; E807-R811 IonicContact OE1-NE 2.81Å; E807-R811 PolarHBondContact OE1-NE 3.42Å; E807-R811 IonicContact OE1-NH2 3.36Å; E807-R811 PolarHBondContact OE1-NH2 2.88Å; L808-R811 PolarHBondContact O-N 2.87Å; R811-E814 PolarHBondContact O-N 3.4Å; R811-E814 VanDerWaalsContact O-N 3.15Å; R811-A815 PolarHBondContact O-N 3.47Å; R811-L887 HydrophobicContact CB-CD1 4.22Å; R811-A890 HydrophobicContact CG-CB 3.96Å |
| 812 | I | 85.9 | Confident | 83.8 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 172.8 | -66.2 | 162 | 0 | 0 | 0 | 110.4 | L808 I809 E814 A816 L822 L826 V830 L863 T867 L887 | L808-I812 HydrophobicContact CD1-CD1 4.22Å; L808-I812 HydrophobicContact CD1-CG1 4.45Å; L808-I812 HydrophobicContact CG-CD1 3.88Å; L808-I812 WeakPolarHBondContact O-CD1 3.35Å; L808-I812 VanDerWaalsContact O-CG1 3.27Å; L808-I812 WeakPolarHBondContact O-CG1 3.24Å; L808-I812 PolarHBondContact O-N 3.19Å; I809-I812 PolarHBondContact O-N 2.79Å; I812-E814 PolarHBondContact O-N 2.95Å; I812-A816 WeakPolarHBondContact O-CB 3.39Å; I812-A816 PolarHBondContact O-N 2.85Å; I812-L822 HydrophobicContact CG2-CD2 4.11Å; I812-L822 HydrophobicContact CG2-CG 4.33Å; I812-L826 HydrophobicContact CD1-CD1 4Å; I812-L826 HydrophobicContact CG1-CD1 4.11Å; I812-L826 HydrophobicContact CG2-CB 4.23Å; I812-L826 HydrophobicContact CG2-CD1 3.86Å; I812-V830 HydrophobicContact CB-CG2 4.48Å; I812-V830 HydrophobicContact CD1-CG2 4.16Å; I812-V830 HydrophobicContact CG2-CG2 3.89Å; I812-L863 HydrophobicContact CD1-CD1 3.88Å; I812-L863 HydrophobicContact CD1-CG 4.49Å; I812-T867 HydrophobicContact CD1-CG2 4.22Å; I812-T867 HydrophobicContact CG1-CG2 4.47Å; I812-L887 HydrophobicContact CG1-CD1 3.65Å |
| 813 | C | 85.6 | Confident | 83.4 | Confident | 60 Ų | 60 | 55 Ų | 55 | 41% | 0.405 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.4 | -14.3 | 176.3 | -72.9 | 0 | 0 | 0 | 0 | 114 | I809 T810 K817 | I809-C813 WeakPolarHBondContact O-CB 3.47Å; I809-C813 PolarHBondContact O-N 3.42Å; I809-C813 PolarHBondContact O-SG 2.85Å; I809-C813 VanDerWaalsContact O-SG 3.36Å; T810-C813 CarbonylContact O-C 3.58Å; T810-C813 PolarHBondContact O-N 3.36Å; C813-K817 WeakPolarHBondContact O-CE 3.29Å; C813-K817 WeakPolarHBondContact O-CG 3.47Å |
| 814 | E | 84.6 | Confident | 83 | Confident | 77 Ų | 77 | 54.8 Ų | 54.8 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -83.7 | -55.3 | 170 | -77.8 | 178.9 | 154.5 | 0 | 0 | 111.2 | T810 R811 I812 A816 K817 | T810-E814 WeakPolarHBondContact O-CG 3.3Å; T810-E814 PolarHBondContact O-N 3.22Å; R811-E814 PolarHBondContact O-N 3.4Å; R811-E814 VanDerWaalsContact O-N 3.15Å; I812-E814 PolarHBondContact O-N 2.95Å; E814-A816 PolarHBondContact O-N 3.32Å; E814-K817 VanDerWaalsContact O-CB 3.29Å; E814-K817 WeakPolarHBondContact O-CB 3.14Å; E814-K817 PolarHBondContact O-N 3.15Å |
| 815 | A | 81 | Confident | 82.6 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -20.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R811 K817 T818 N819 L822 L879 | R811-A815 PolarHBondContact O-N 3.47Å; A815-K817 VanDerWaalsContact C-N 3.29Å; A815-K817 PolarHBondContact O-N 2.91Å; A815-T818 PolarHBondContact O-OG1 3.2Å; A815-N819 WeakPolarHBondContact O-CB 3.07Å; A815-N819 PolarHBondContact O-N 2.88Å; A815-L822 HydrophobicContact CB-CD2 3.56Å; A815-L879 HydrophobicContact CB-CD2 4.01Å |
| 816 | A | 83.3 | Confident | 82.3 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.1 | -25.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I812 E814 T818 N819 E823 | I812-A816 WeakPolarHBondContact O-CB 3.39Å; I812-A816 PolarHBondContact O-N 2.85Å; E814-A816 PolarHBondContact O-N 3.32Å; A816-T818 VanDerWaalsContact C-N 3.35Å; A816-N819 CarbonylContact O-C 3.53Å; A816-E823 HydrophobicContact CB-CB 4.15Å |
| 817 | K | 81.4 | Confident | 82 | Confident | 162 Ų | 162 | 58 Ų | 58 | 70% | 0.704 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71.6 | -32.1 | 178.6 | -61.5 | 159.9 | -173.7 | 154.2 | 0 | 111.6 | C813 E814 A815 | C813-K817 WeakPolarHBondContact O-CE 3.29Å; C813-K817 WeakPolarHBondContact O-CG 3.47Å; E814-K817 VanDerWaalsContact O-CB 3.29Å; E814-K817 WeakPolarHBondContact O-CB 3.14Å; E814-K817 PolarHBondContact O-N 3.15Å; A815-K817 VanDerWaalsContact C-N 3.29Å; A815-K817 PolarHBondContact O-N 2.91Å |
| 818 | T | 73.9 | Confident | 81.7 | Confident | 84 Ų | 84 | 61 Ų | 61 | 52% | 0.515 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -87.1 | -37.5 | 174.3 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | A815 A816 E883 | A815-T818 PolarHBondContact O-OG1 3.2Å; A816-T818 VanDerWaalsContact C-N 3.35Å; T818-E883 WeakPolarHBondContact CG2-OE1 3.27Å; T818-E883 PolarHBondContact OG1-OE2 3.29Å |
| 819 | N | 73.4 | Confident | 81.5 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | trans | -130.4 | 90.9 | -172.2 | -165.3 | -18.4 | 0 | 0 | 0 | 113.7 | A815 A816 L821 L822 L877 L879 | A815-N819 WeakPolarHBondContact O-CB 3.07Å; A815-N819 PolarHBondContact O-N 2.88Å; A816-N819 CarbonylContact O-C 3.53Å; N819-L821 PolarHBondContact O-N 3.4Å; N819-L821 PolarHBondContact OD1-N 3.04Å; N819-L822 VanDerWaalsContact O-CB 3.25Å; N819-L822 WeakPolarHBondContact O-CB 3.3Å; N819-L822 PolarHBondContact O-N 2.95Å; N819-L877 WeakPolarHBondContact ND2-CD2 3.34Å; N819-L879 HydrophobicContact CB-CD2 4.09Å | ||
| 820 | G | 71.3 | Confident | 81.4 | Confident | 46 Ų | 46 | 61 Ų | 61 | 47% | 0.474 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64 | -8.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | L822 Q824 | G820-L822 VanDerWaalsContact C-N 3.3Å; G820-Q824 PolarHBondContact O-N 3.02Å; G820-Q824 VanDerWaalsContact O-N 3.16Å |
| 821 | L | 73 | Confident | 81.4 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 52% | 0.518 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.1 | -31.4 | 168.1 | -69.5 | 174.7 | 0 | 0 | 0 | 111.6 | N819 E823 Q824 E825 | N819-L821 PolarHBondContact O-N 3.4Å; N819-L821 PolarHBondContact OD1-N 3.04Å; L821-E823 VanDerWaalsContact C-N 3.35Å; L821-Q824 PolarHBondContact O-N 2.95Å; L821-E825 PolarHBondContact O-N 2.97Å |
| 822 | L | 75.9 | Confident | 81.2 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 175.9 | -159.6 | 76.1 | 0 | 0 | 0 | 110.7 | I812 A815 N819 G820 L826 L877 | I812-L822 HydrophobicContact CG2-CD2 4.11Å; I812-L822 HydrophobicContact CG2-CG 4.33Å; A815-L822 HydrophobicContact CB-CD2 3.56Å; N819-L822 VanDerWaalsContact O-CB 3.25Å; N819-L822 WeakPolarHBondContact O-CB 3.3Å; N819-L822 PolarHBondContact O-N 2.95Å; G820-L822 VanDerWaalsContact C-N 3.3Å; L822-L826 HydrophobicContact CD1-CD1 3.93Å; L822-L826 HydrophobicContact CG-CD1 4.12Å; L822-L826 WeakPolarHBondContact O-CB 3.34Å; L822-L826 PolarHBondContact O-N 3.19Å; L822-L826 VanDerWaalsContact O-N 3.07Å; L822-L877 HydrophobicContact CD1-CD1 4.45Å |
| 823 | E | 77.9 | Confident | 81.3 | Confident | 123 Ų | 123 | 61.2 Ų | 61.2 | 58% | 0.575 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61 | -48.1 | 171.5 | -167.5 | -176.7 | -179.8 | 0 | 0 | 111.2 | A816 L821 E825 A827 | A816-E823 HydrophobicContact CB-CB 4.15Å; L821-E823 VanDerWaalsContact C-N 3.35Å; E823-E825 PolarHBondContact O-N 3.48Å; E823-A827 WeakPolarHBondContact O-CB 3.33Å; E823-A827 PolarHBondContact O-N 3.1Å |
| 824 | Q | 77.8 | Confident | 81.5 | Confident | 137 Ų | 137 | 60.3 Ų | 60.3 | 64% | 0.64 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | -174.7 | -167.8 | -170.8 | -81.6 | 0 | 0 | 113.3 | G820 L821 | G820-Q824 PolarHBondContact O-N 3.02Å; G820-Q824 VanDerWaalsContact O-N 3.16Å; L821-Q824 PolarHBondContact O-N 2.95Å |
| 825 | E | 80.4 | Confident | 81.5 | Confident | 105 Ų | 105 | 62.3 Ų | 62.3 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -85.5 | -46.4 | -177.2 | -58.4 | -58 | 124.5 | 0 | 0 | 112.1 | L821 E823 L870 | L821-E825 PolarHBondContact O-N 2.97Å; E823-E825 PolarHBondContact O-N 3.48Å; E825-L870 HydrophobicContact CB-CD1 4.13Å; E825-L870 HydrophobicContact CB-CD2 4.5Å |
| 826 | L | 85.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -84.7 | -13.7 | -173.8 | -68.3 | 176.9 | 0 | 0 | 0 | 115.2 | I812 L822 H828 A829 V830 E866 T867 L870 | I812-L826 HydrophobicContact CD1-CD1 4Å; I812-L826 HydrophobicContact CG1-CD1 4.11Å; I812-L826 HydrophobicContact CG2-CB 4.23Å; I812-L826 HydrophobicContact CG2-CD1 3.86Å; L822-L826 HydrophobicContact CD1-CD1 3.93Å; L822-L826 HydrophobicContact CG-CD1 4.12Å; L822-L826 WeakPolarHBondContact O-CB 3.34Å; L822-L826 PolarHBondContact O-N 3.19Å; L822-L826 VanDerWaalsContact O-N 3.07Å; L826-H828 PolarHBondContact O-N 3.48Å; L826-A829 PolarHBondContact O-N 3.12Å; L826-A829 VanDerWaalsContact O-N 3.1Å; L826-V830 HydrophobicContact CB-CG2 4.17Å; L826-V830 WeakPolarHBondContact O-CB 3.38Å; L826-V830 WeakPolarHBondContact O-CG2 3.34Å; L826-V830 PolarHBondContact O-N 3.19Å; L826-E866 HydrophobicContact CD2-CB 3.75Å; L826-T867 HydrophobicContact CD1-CG2 4.21Å; L826-L870 HydrophobicContact CD1-CD1 3.91Å; L826-L870 HydrophobicContact CD2-CD1 3.68Å; L826-L870 HydrophobicContact CG-CD1 3.52Å |
| 827 | A | 83.8 | Confident | 81.7 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.2 | -31.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | E823 N831 | E823-A827 WeakPolarHBondContact O-CB 3.33Å; E823-A827 PolarHBondContact O-N 3.1Å; A827-N831 VanDerWaalsContact O-CB 3.3Å; A827-N831 WeakPolarHBondContact O-CB 3.13Å; A827-N831 PolarHBondContact O-N 2.98Å; A827-N831 VanDerWaalsContact O-N 3.09Å; A827-N831 PolarHBondContact O-ND2 3.19Å |
| 828 | H | 83.5 | Confident | 81.8 | Confident | 143 Ų | 143 | 58.4 Ų | 58.4 | 66% | 0.662 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.9 | -48.6 | 177.2 | -175.2 | -86.2 | 0 | 0 | 0 | 112.2 | L826 A832 | L826-H828 PolarHBondContact O-N 3.48Å; H828-A832 WeakPolarHBondContact O-CB 3.46Å; H828-A832 PolarHBondContact O-N 3.07Å |
| 829 | A | 85.9 | Confident | 81.9 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L826 N831 A832 A833 L863 E866 | L826-A829 PolarHBondContact O-N 3.12Å; L826-A829 VanDerWaalsContact O-N 3.1Å; A829-N831 PolarHBondContact O-N 3.05Å; A829-A832 PolarHBondContact O-N 2.87Å; A829-A833 WeakPolarHBondContact O-CB 3.4Å; A829-A833 PolarHBondContact O-N 3.13Å; A829-L863 HydrophobicContact CB-CB 4.28Å; A829-L863 HydrophobicContact CB-CD1 3.89Å; A829-E866 WeakPolarHBondContact CB-OE2 3.43Å |
| 830 | V | 88.5 | Confident | 81.7 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 176.9 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | I809 I812 L826 A832 S834 L863 | I809-V830 HydrophobicContact CG1-CG1 4.32Å; I809-V830 HydrophobicContact CG2-CG1 3.89Å; I812-V830 HydrophobicContact CB-CG2 4.48Å; I812-V830 HydrophobicContact CD1-CG2 4.16Å; I812-V830 HydrophobicContact CG2-CG2 3.89Å; L826-V830 HydrophobicContact CB-CG2 4.17Å; L826-V830 WeakPolarHBondContact O-CB 3.38Å; L826-V830 WeakPolarHBondContact O-CG2 3.34Å; L826-V830 PolarHBondContact O-N 3.19Å; V830-A832 PolarHBondContact O-N 3.3Å; V830-S834 WeakPolarHBondContact O-CB 3.28Å; V830-S834 PolarHBondContact O-N 3.19Å; V830-L863 HydrophobicContact CG2-CD1 3.66Å |
| 831 | N | 88.6 | Confident | 81.2 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 59% | 0.594 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.4 | -37.2 | 177.8 | -80 | -71.8 | 0 | 0 | 0 | 112.2 | A827 A829 H835 | A827-N831 VanDerWaalsContact O-CB 3.3Å; A827-N831 WeakPolarHBondContact O-CB 3.13Å; A827-N831 PolarHBondContact O-N 2.98Å; A827-N831 VanDerWaalsContact O-N 3.09Å; A827-N831 PolarHBondContact O-ND2 3.19Å; A829-N831 PolarHBondContact O-N 3.05Å; N831-H835 WeakPolarHBondContact O-CB 3.46Å; N831-H835 PolarHBondContact O-N 3.12Å |
| 832 | A | 84.8 | Confident | 80.3 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.2 | -49.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H828 A829 V830 H835 A836 T859 | H828-A832 WeakPolarHBondContact O-CB 3.46Å; H828-A832 PolarHBondContact O-N 3.07Å; A829-A832 PolarHBondContact O-N 2.87Å; V830-A832 PolarHBondContact O-N 3.3Å; A832-H835 PolarHBondContact O-N 2.75Å; A832-A836 WeakPolarHBondContact O-CB 3.28Å; A832-A836 PolarHBondContact O-N 3.05Å; A832-T859 HydrophobicContact CB-CG2 4.4Å |
| 833 | A | 87.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I809 A829 H835 A836 I837 V860 L863 | I809-A833 HydrophobicContact CD1-CB 4.19Å; A829-A833 WeakPolarHBondContact O-CB 3.4Å; A829-A833 PolarHBondContact O-N 3.13Å; A833-H835 PolarHBondContact O-N 3.31Å; A833-A836 PolarHBondContact O-N 3.25Å; A833-A836 VanDerWaalsContact O-N 3.15Å; A833-I837 WeakPolarHBondContact O-CD1 3.43Å; A833-I837 VanDerWaalsContact O-CG1 3.28Å; A833-I837 WeakPolarHBondContact O-CG1 3.47Å; A833-I837 PolarHBondContact O-N 3.07Å; A833-V860 HydrophobicContact CB-CG2 4.47Å; A833-L863 HydrophobicContact CB-CB 4.25Å; A833-L863 HydrophobicContact CB-CD2 3.96Å |
| 834 | S | 88.9 | Confident | 77.1 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 112 | V830 A836 I837 N838 | V830-S834 WeakPolarHBondContact O-CB 3.28Å; V830-S834 PolarHBondContact O-N 3.19Å; S834-A836 PolarHBondContact O-N 3.16Å; S834-I837 PolarHBondContact O-N 2.74Å; S834-N838 WeakPolarHBondContact O-CB 3.25Å; S834-N838 PolarHBondContact O-N 3.12Å; S834-N838 PolarHBondContact O-ND2 2.89Å |
| 835 | H | 84.5 | Confident | 75.8 | Confident | 118 Ų | 118 | 73 Ų | 73 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.1 | -35.4 | 176.5 | 179.3 | -101.1 | 0 | 0 | 0 | 112.8 | N831 A832 A833 | N831-H835 WeakPolarHBondContact O-CB 3.46Å; N831-H835 PolarHBondContact O-N 3.12Å; A832-H835 PolarHBondContact O-N 2.75Å; A833-H835 PolarHBondContact O-N 3.31Å |
| 836 | A | 84.1 | Confident | 74.4 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.3 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A832 A833 S834 N838 K839 E855 V856 T859 | A832-A836 WeakPolarHBondContact O-CB 3.28Å; A832-A836 PolarHBondContact O-N 3.05Å; A833-A836 PolarHBondContact O-N 3.25Å; A833-A836 VanDerWaalsContact O-N 3.15Å; S834-A836 PolarHBondContact O-N 3.16Å; A836-N838 PolarHBondContact O-N 3.39Å; A836-K839 WeakPolarHBondContact O-CB 3.34Å; A836-K839 PolarHBondContact O-N 3.47Å; A836-K839 VanDerWaalsContact O-N 3.08Å; A836-E855 HydrophobicContact CB-CG 4.38Å; A836-V856 HydrophobicContact CB-CG2 3.94Å; A836-V856 WeakPolarHBondContact O-CG2 3.48Å; A836-T859 HydrophobicContact CB-CG2 4.41Å; A836-T859 VanDerWaalsContact CB-OG1 3.27Å; A836-T859 WeakPolarHBondContact CB-OG1 3.37Å |
| 837 | I | 84.9 | Confident | 73.2 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.015 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 178.3 | -65.7 | 160 | 0 | 0 | 0 | 111 | A802 A805 E806 I809 A833 S834 K839 M840 V856 V860 | A802-I837 HydrophobicContact CB-CG1 4.36Å; A802-I837 HydrophobicContact CB-CG2 4.05Å; A805-I837 HydrophobicContact CB-CD1 3.68Å; E806-I837 HydrophobicContact CG-CD1 4.33Å; E806-I837 HydrophobicContact CG-CG2 3.95Å; E806-I837 WeakPolarHBondContact OE1-CG2 3.2Å; I809-I837 HydrophobicContact CD1-CD1 4.2Å; A833-I837 WeakPolarHBondContact O-CD1 3.43Å; A833-I837 VanDerWaalsContact O-CG1 3.28Å; A833-I837 WeakPolarHBondContact O-CG1 3.47Å; A833-I837 PolarHBondContact O-N 3.07Å; S834-I837 PolarHBondContact O-N 2.74Å; I837-K839 PolarHBondContact O-N 2.88Å; I837-K839 VanDerWaalsContact O-N 3.09Å; I837-M840 WeakPolarHBondContact O-CB 3.32Å; I837-M840 PolarHBondContact O-N 2.65Å; I837-V856 HydrophobicContact CG1-CG1 4.23Å; I837-V860 HydrophobicContact CD1-CG2 4.08Å; I837-V860 HydrophobicContact CG1-CG2 4.28Å |
| 838 | N | 82.8 | Confident | 72.4 | Confident | 98 Ų | 98 | 78 Ų | 78 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.6 | -19.9 | 174.8 | -87.3 | -86.4 | 0 | 0 | 0 | 113.7 | S834 A836 | S834-N838 WeakPolarHBondContact O-CB 3.25Å; S834-N838 PolarHBondContact O-N 3.12Å; S834-N838 PolarHBondContact O-ND2 2.89Å; A836-N838 PolarHBondContact O-N 3.39Å |
| 839 | K | 76.3 | Confident | 72.1 | Confident | 94 Ų | 94 | 74.1 Ų | 74.1 | 41% | 0.409 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -76.5 | -22.3 | 171 | -66.4 | 168.9 | 170.9 | 179.3 | 0 | 113.5 | A836 I837 E855 | A836-K839 WeakPolarHBondContact O-CB 3.34Å; A836-K839 PolarHBondContact O-N 3.47Å; A836-K839 VanDerWaalsContact O-N 3.08Å; I837-K839 PolarHBondContact O-N 2.88Å; I837-K839 VanDerWaalsContact O-N 3.09Å; K839-E855 IonicContact NZ-OE1 3.91Å; K839-E855 PolarHBondContact NZ-OE1 3.09Å; K839-E855 IonicContact NZ-OE2 3.96Å; K839-E855 PolarHBondContact NZ-OE2 2.78Å |
| 840 | M | 69 | Low | 71.6 | Confident | 21 Ų | 21 | 76.9 Ų | 76.9 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.6 | -30.7 | 174.9 | -68 | -178.4 | 51.1 | 0 | 0 | 112.4 | M798 Q799 A802 I837 P842 L848 V856 | M798-M840 HydrophobicContact CB-CE 4.08Å; M798-M840 HydrophobicContact CG-CE 3.66Å; M798-M840 HydrophobicContact CG-SD 3.76Å; Q799-M840 HydrophobicContact CG-CE 3.78Å; A802-M840 HydrophobicContact CB-CE 4.11Å; A802-M840 HydrophobicContact CB-SD 3.99Å; I837-M840 WeakPolarHBondContact O-CB 3.32Å; I837-M840 PolarHBondContact O-N 2.65Å; M840-P842 WeakPolarHBondContact O-CD 3.45Å; M840-P842 WeakPolarHBondContact O-CG 3.33Å; M840-L848 HydrophobicContact CE-CD2 4.24Å; M840-L848 HydrophobicContact CG-CD1 3.92Å; M840-V856 HydrophobicContact CG-CG2 3.85Å; M840-V856 HydrophobicContact SD-CB 4.19Å; M840-V856 HydrophobicContact SD-CG1 3.86Å; M840-V856 HydrophobicContact SD-CG2 3.76Å |
| 841 | H | 62.2 | Low | 71 | Confident | 125 Ų | 125 | 82.1 Ų | 82.1 | 58% | 0.579 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -70 | 107.6 | -174.7 | -106.3 | -71.3 | 0 | 0 | 0 | 111.4 | ||
| 842 | P | 52.9 | Low | 70.5 | Confident | 81 Ų | 81 | 78.5 Ų | 78.5 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | trans | -84.9 | 129.2 | -170.1 | -2.2 | 21.1 | 0 | 0 | 0 | 110.8 | M840 F844 | M840-P842 WeakPolarHBondContact O-CD 3.45Å; M840-P842 WeakPolarHBondContact O-CG 3.33Å; P842-F844 WeakPolarHBondContact CB-O 3.39Å | ||
| 843 | K | 46.9 | Very low | 70.3 | Confident | 201 Ų | 201 | 76.8 Ų | 76.8 | 87% | 0.874 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -78.5 | -9.6 | 157.3 | -76.8 | -175.9 | 175.9 | 176.4 | 0 | 112.7 | ||
| 844 | F | 40.4 | Very low | 70 | Confident | 172 Ų | 172 | 79.5 Ų | 79.5 | 75% | 0.754 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -142.3 | 128.9 | 173.6 | -66.8 | -80.9 | 0 | 0 | 0 | 108.9 | P842 E846 | P842-F844 WeakPolarHBondContact CB-O 3.39Å; F844-E846 VanDerWaalsContact C-N 3.27Å; F844-E846 PolarHBondContact O-N 2.9Å |
| 845 | P | 50 | Low | 69.7 | Low | 130 Ų | 130 | 80.8 Ų | 80.8 | 84% | 0.844 | 41% | 0.408 | S | S | * | . | trans | -81.3 | 67.5 | -170.1 | 34.4 | -37.3 | 0 | 0 | 0 | 112.5 | ||||
| 846 | E | 51.4 | Low | 69.7 | Low | 174 Ų | 174 | 75.2 Ų | 75.2 | 81% | 0.813 | 38% | 0.382 | S | S | * | . | trans | -110.2 | 142.1 | 167.9 | -66.8 | -174.4 | 165.8 | 0 | 0 | 110 | F844 | F844-E846 VanDerWaalsContact C-N 3.27Å; F844-E846 PolarHBondContact O-N 2.9Å | ||
| 847 | S | 59.8 | Low | 69.7 | Low | 56 Ų | 56 | 75.2 Ų | 75.2 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 141.9 | -163.6 | 46.8 | 0 | 0 | 0 | 0 | 115.9 | L789 T849 | L789-S847 VanDerWaalsContact CD1-OG 3.3Å; L789-S847 WeakPolarHBondContact CD1-OG 3.5Å; L789-S847 WeakPolarHBondContact CD2-OG 3.37Å; S847-T849 PolarHBondContact O-N 3.27Å |
| 848 | L | 67.7 | Low | 69.7 | Low | 18 Ų | 18 | 77.6 Ų | 77.6 | 9% | 0.094 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 127.9 | 176.7 | -176.2 | 67.3 | 0 | 0 | 0 | 112.2 | A790 M798 M840 T852 A853 | A790-L848 PolarHBondContact N-O 3.06Å; M798-L848 HydrophobicContact CB-CD2 4.1Å; M798-L848 HydrophobicContact CG-CD2 3.93Å; M840-L848 HydrophobicContact CE-CD2 4.24Å; M840-L848 HydrophobicContact CG-CD1 3.92Å; L848-T852 WeakPolarHBondContact CD1-OG1 3.48Å; L848-A853 HydrophobicContact CD2-CB 3.98Å; L848-A853 HydrophobicContact CG-CB 4.37Å |
| 849 | T | 76.6 | Confident | 69.9 | Low | 60 Ų | 60 | 74.2 Ų | 74.2 | 37% | 0.368 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | -77.7 | 147.8 | 175.5 | 82.3 | 0 | 0 | 0 | 0 | 111.2 | S847 N851 T852 A853 | S847-T849 PolarHBondContact O-N 3.27Å; T849-N851 PolarHBondContact O-N 2.89Å; T849-T852 PolarHBondContact N-OG1 3.22Å; T849-T852 PolarHBondContact O-N 2.91Å; T849-T852 PolarHBondContact O-OG1 2.78Å; T849-T852 PolarHBondContact OG1-N 2.95Å; T849-T852 PolarHBondContact OG1-OG1 3.48Å; T849-A853 PolarHBondContact O-N 3.33Å; T849-A853 VanDerWaalsContact O-N 3.12Å |
| 850 | R | 76 | Confident | 70.5 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 23% | 0.234 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.3 | -32 | 176.6 | -173.4 | 165.9 | -77.2 | 107.6 | 7.4 | 113 | V787 D788 L789 E794 A853 I854 W906 | V787-R850 PolarHBondContact O-NH1 3.4Å; D788-R850 PolarHBondContact O-N 3.49Å; L789-R850 PolarHBondContact O-NH2 2.87Å; E794-R850 IonicContact OE2-NH2 2.92Å; R850-A853 PolarHBondContact O-N 3.07Å; R850-I854 HydrophobicContact CG-CD1 4.34Å; R850-I854 WeakPolarHBondContact O-CG1 3.41Å; R850-I854 PolarHBondContact O-N 3.48Å; R850-I854 VanDerWaalsContact O-N 3.1Å; R850-W906 HydrophobicContact CG-CD2 3.86Å; R850-W906 HydrophobicContact CG-CE3 3.52Å; R850-W906 HydrophobicContact CG-CH2 3.96Å; R850-W906 HydrophobicContact CG-CZ2 4.24Å; R850-W906 HydrophobicContact CG-CZ3 3.58Å; R850-W906 VanDerWaalsContact NE-CD2 3.34Å; R850-W906 VanDerWaalsContact NE-CE2 3.27Å |
| 851 | N | 75.7 | Confident | 71.4 | Confident | 124 Ų | 124 | 70.5 Ų | 70.5 | 66% | 0.663 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.3 | -42.5 | 178.9 | -66.7 | -32.1 | 0 | 0 | 0 | 112.9 | T849 A853 I854 E855 | T849-N851 PolarHBondContact O-N 2.89Å; N851-A853 VanDerWaalsContact C-N 3.31Å; N851-A853 PolarHBondContact O-N 3.24Å; N851-I854 PolarHBondContact O-N 3.34Å; N851-E855 PolarHBondContact O-N 2.89Å |
| 852 | T | 77.5 | Confident | 72.5 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65 | -36.1 | 173.7 | 33.8 | 0 | 0 | 0 | 0 | 111.9 | L848 T849 E855 V856 | L848-T852 WeakPolarHBondContact CD1-OG1 3.48Å; T849-T852 PolarHBondContact N-OG1 3.22Å; T849-T852 PolarHBondContact O-N 2.91Å; T849-T852 PolarHBondContact O-OG1 2.78Å; T849-T852 PolarHBondContact OG1-N 2.95Å; T849-T852 PolarHBondContact OG1-OG1 3.48Å; T852-E855 PolarHBondContact O-N 3.3Å; T852-V856 WeakPolarHBondContact O-CG2 3.28Å; T852-V856 PolarHBondContact O-N 3.06Å |
| 853 | A | 80.7 | Confident | 74.2 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M798 L848 T849 R850 N851 A857 W906 | M798-A853 HydrophobicContact CE-CB 4.05Å; L848-A853 HydrophobicContact CD2-CB 3.98Å; L848-A853 HydrophobicContact CG-CB 4.37Å; T849-A853 PolarHBondContact O-N 3.33Å; T849-A853 VanDerWaalsContact O-N 3.12Å; R850-A853 PolarHBondContact O-N 3.07Å; N851-A853 VanDerWaalsContact C-N 3.31Å; N851-A853 PolarHBondContact O-N 3.24Å; A853-A857 VanDerWaalsContact O-CB 3.32Å; A853-A857 WeakPolarHBondContact O-CB 3.45Å; A853-A857 PolarHBondContact O-N 3.4Å; A853-W906 HydrophobicContact CB-CH2 3.64Å; A853-W906 HydrophobicContact CB-CZ3 4Å |
| 854 | I | 81.8 | Confident | 76.3 | Confident | 57 Ų | 57 | 53.6 Ų | 53.6 | 29% | 0.292 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 172.8 | -71.6 | 165.4 | 0 | 0 | 0 | 111.7 | R850 N851 S858 W906 L907 I910 | R850-I854 HydrophobicContact CG-CD1 4.34Å; R850-I854 WeakPolarHBondContact O-CG1 3.41Å; R850-I854 PolarHBondContact O-N 3.48Å; R850-I854 VanDerWaalsContact O-N 3.1Å; N851-I854 PolarHBondContact O-N 3.34Å; I854-S858 WeakPolarHBondContact O-CB 3.33Å; I854-S858 PolarHBondContact O-N 3.25Å; I854-S858 PolarHBondContact O-OG 3.28Å; I854-W906 HydrophobicContact CD1-CE3 4.41Å; I854-W906 HydrophobicContact CG1-CE3 4.19Å; I854-W906 HydrophobicContact CG1-CZ3 3.99Å; I854-L907 HydrophobicContact CG1-CD2 4.03Å; I854-I910 HydrophobicContact CB-CD1 4.47Å; I854-I910 HydrophobicContact CD1-CD1 4.48Å; I854-I910 HydrophobicContact CG1-CD1 3.96Å; I854-I910 HydrophobicContact CG2-CD1 3.92Å |
| 855 | E | 82.3 | Confident | 78.5 | Confident | 68 Ų | 68 | 49 Ų | 49 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 178 | -169.2 | -178 | 173.9 | 0 | 0 | 111.5 | A836 K839 N851 T852 S858 T859 | A836-E855 HydrophobicContact CB-CG 4.38Å; K839-E855 IonicContact NZ-OE1 3.91Å; K839-E855 PolarHBondContact NZ-OE1 3.09Å; K839-E855 IonicContact NZ-OE2 3.96Å; K839-E855 PolarHBondContact NZ-OE2 2.78Å; N851-E855 PolarHBondContact O-N 2.89Å; T852-E855 PolarHBondContact O-N 3.3Å; E855-S858 PolarHBondContact O-OG 3.04Å; E855-T859 WeakPolarHBondContact O-CB 3.43Å; E855-T859 WeakPolarHBondContact O-CG2 3.23Å; E855-T859 PolarHBondContact O-N 3.2Å; E855-T859 VanDerWaalsContact O-N 3.12Å; E855-T859 PolarHBondContact O-OG1 3.05Å |
| 856 | V | 84.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.1 | -53 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | M798 A836 I837 M840 T852 S858 T859 V860 | M798-V856 HydrophobicContact SD-CB 4.31Å; M798-V856 HydrophobicContact SD-CG1 3.99Å; A836-V856 HydrophobicContact CB-CG2 3.94Å; A836-V856 WeakPolarHBondContact O-CG2 3.48Å; I837-V856 HydrophobicContact CG1-CG1 4.23Å; M840-V856 HydrophobicContact CG-CG2 3.85Å; M840-V856 HydrophobicContact SD-CB 4.19Å; M840-V856 HydrophobicContact SD-CG1 3.86Å; M840-V856 HydrophobicContact SD-CG2 3.76Å; T852-V856 WeakPolarHBondContact O-CG2 3.28Å; T852-V856 PolarHBondContact O-N 3.06Å; V856-S858 PolarHBondContact O-N 3.37Å; V856-T859 PolarHBondContact O-N 2.96Å; V856-T859 PolarHBondContact O-OG1 2.75Å; V856-T859 VanDerWaalsContact O-OG1 3.13Å; V856-V860 HydrophobicContact CG1-CG2 3.89Å; V856-V860 WeakPolarHBondContact O-CB 3.25Å; V856-V860 VanDerWaalsContact O-CG2 3.28Å; V856-V860 WeakPolarHBondContact O-CG2 3.49Å; V856-V860 PolarHBondContact O-N 3.12Å |
| 857 | A | 84.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.1 | -38.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M798 A853 K861 L907 L911 | M798-A857 HydrophobicContact CE-CB 4.09Å; A853-A857 VanDerWaalsContact O-CB 3.32Å; A853-A857 WeakPolarHBondContact O-CB 3.45Å; A853-A857 PolarHBondContact O-N 3.4Å; A857-K861 VanDerWaalsContact O-CB 3.26Å; A857-K861 WeakPolarHBondContact O-CB 3.28Å; A857-K861 PolarHBondContact O-N 3.25Å; A857-K861 VanDerWaalsContact O-N 3.16Å; A857-L907 HydrophobicContact CB-CD1 4.5Å; A857-L907 HydrophobicContact CB-CD2 3.96Å; A857-L911 HydrophobicContact CB-CD2 4.36Å |
| 858 | S | 84.7 | Confident | 82.9 | Confident | 52 Ų | 52 | 39.4 Ų | 39.4 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -74.8 | -39.3 | 178.4 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | I854 E855 V856 A862 | I854-S858 WeakPolarHBondContact O-CB 3.33Å; I854-S858 PolarHBondContact O-N 3.25Å; I854-S858 PolarHBondContact O-OG 3.28Å; E855-S858 PolarHBondContact O-OG 3.04Å; V856-S858 PolarHBondContact O-N 3.37Å; S858-A862 PolarHBondContact O-N 3.22Å; S858-A862 VanDerWaalsContact O-N 3.12Å |
| 859 | T | 87.3 | Confident | 83.5 | Confident | 28 Ų | 28 | 42.4 Ų | 42.4 | 17% | 0.172 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.7 | -37.4 | 177.9 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | A832 A836 E855 V856 A862 L863 | A832-T859 HydrophobicContact CB-CG2 4.4Å; A836-T859 HydrophobicContact CB-CG2 4.41Å; A836-T859 VanDerWaalsContact CB-OG1 3.27Å; A836-T859 WeakPolarHBondContact CB-OG1 3.37Å; E855-T859 WeakPolarHBondContact O-CB 3.43Å; E855-T859 WeakPolarHBondContact O-CG2 3.23Å; E855-T859 PolarHBondContact O-N 3.2Å; E855-T859 VanDerWaalsContact O-N 3.12Å; E855-T859 PolarHBondContact O-OG1 3.05Å; V856-T859 PolarHBondContact O-N 2.96Å; V856-T859 PolarHBondContact O-OG1 2.75Å; V856-T859 VanDerWaalsContact O-OG1 3.13Å; T859-A862 WeakPolarHBondContact O-CB 3.34Å; T859-A862 PolarHBondContact O-N 3.27Å; T859-L863 PolarHBondContact O-N 2.76Å |
| 860 | V | 88.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | A805 A833 I837 V856 A862 L863 H864 L894 L898 | A805-V860 HydrophobicContact CB-CB 4.42Å; A805-V860 HydrophobicContact CB-CG1 3.67Å; A805-V860 HydrophobicContact CB-CG2 3.85Å; A833-V860 HydrophobicContact CB-CG2 4.47Å; I837-V860 HydrophobicContact CD1-CG2 4.08Å; I837-V860 HydrophobicContact CG1-CG2 4.28Å; V856-V860 HydrophobicContact CG1-CG2 3.89Å; V856-V860 WeakPolarHBondContact O-CB 3.25Å; V856-V860 VanDerWaalsContact O-CG2 3.28Å; V856-V860 WeakPolarHBondContact O-CG2 3.49Å; V856-V860 PolarHBondContact O-N 3.12Å; V860-A862 VanDerWaalsContact C-N 3.32Å; V860-A862 PolarHBondContact O-N 2.87Å; V860-L863 PolarHBondContact O-N 3.44Å; V860-H864 PolarHBondContact O-N 2.93Å; V860-L894 HydrophobicContact CG1-CD1 3.68Å; V860-L894 HydrophobicContact CG1-CD2 3.91Å; V860-L894 HydrophobicContact CG1-CG 4.28Å; V860-L898 HydrophobicContact CG1-CD2 4.21Å |
| 861 | K | 87.4 | Confident | 83.4 | Confident | 37 Ų | 37 | 41.1 Ų | 41.1 | 16% | 0.161 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -34.9 | 172.4 | 178.5 | 172.8 | 167.7 | -179.9 | 0 | 112.8 | A857 H864 N865 L898 I910 L911 Q912 | A857-K861 VanDerWaalsContact O-CB 3.26Å; A857-K861 WeakPolarHBondContact O-CB 3.28Å; A857-K861 PolarHBondContact O-N 3.25Å; A857-K861 VanDerWaalsContact O-N 3.16Å; K861-H864 PolarHBondContact O-N 3.37Å; K861-N865 VanDerWaalsContact O-CG 3.26Å; K861-N865 PolarHBondContact O-N 2.81Å; K861-N865 PolarHBondContact O-OD1 2.76Å; K861-L898 HydrophobicContact CB-CD2 4.37Å; K861-I910 PolarHBondContact NZ-O 3.26Å; K861-L911 HydrophobicContact CB-CD2 4.37Å; K861-L911 HydrophobicContact CD-CD2 3.87Å; K861-L911 PolarHBondContact NZ-O 3.02Å; K861-Q912 PolarHBondContact NZ-O 2.93Å |
| 862 | A | 85.3 | Confident | 83.2 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 34% | 0.339 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S858 T859 V860 N865 E866 | S858-A862 PolarHBondContact O-N 3.22Å; S858-A862 VanDerWaalsContact O-N 3.12Å; T859-A862 WeakPolarHBondContact O-CB 3.34Å; T859-A862 PolarHBondContact O-N 3.27Å; V860-A862 VanDerWaalsContact C-N 3.32Å; V860-A862 PolarHBondContact O-N 2.87Å; A862-N865 PolarHBondContact O-N 3.33Å; A862-E866 WeakPolarHBondContact O-CG 3.42Å; A862-E866 PolarHBondContact O-N 2.9Å |
| 863 | L | 89.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.8 | 177.7 | 65.1 | 0 | 0 | 0 | 112.5 | L808 I809 I812 A829 V830 A833 T859 V860 T867 | L808-L863 HydrophobicContact CD2-CD2 4.47Å; L808-L863 HydrophobicContact CD2-CG 4.4Å; I809-L863 HydrophobicContact CD1-CD2 4.04Å; I809-L863 HydrophobicContact CG1-CD2 3.54Å; I812-L863 HydrophobicContact CD1-CD1 3.88Å; I812-L863 HydrophobicContact CD1-CG 4.49Å; A829-L863 HydrophobicContact CB-CB 4.28Å; A829-L863 HydrophobicContact CB-CD1 3.89Å; V830-L863 HydrophobicContact CG2-CD1 3.66Å; A833-L863 HydrophobicContact CB-CB 4.25Å; A833-L863 HydrophobicContact CB-CD2 3.96Å; T859-L863 PolarHBondContact O-N 2.76Å; V860-L863 PolarHBondContact O-N 3.44Å; L863-T867 WeakPolarHBondContact O-CB 3.44Å; L863-T867 PolarHBondContact O-N 2.9Å; L863-T867 PolarHBondContact O-OG1 3.32Å |
| 864 | H | 89.4 | Confident | 80.9 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.4 | -56.9 | 174 | 177.2 | -85.7 | 0 | 0 | 0 | 110.7 | V860 K861 E866 T867 E868 L894 L898 | V860-H864 PolarHBondContact O-N 2.93Å; K861-H864 PolarHBondContact O-N 3.37Å; H864-E866 PolarHBondContact O-N 3.37Å; H864-T867 PolarHBondContact O-N 3.44Å; H864-T867 VanDerWaalsContact O-N 3.15Å; H864-E868 IonicContact CE1-OE2 3.09Å; H864-E868 PolarHBondContact CE1-OE2 3.42Å; H864-E868 IonicContact ND1-OE2 3.12Å; H864-E868 WeakPolarHBondContact O-CB 3.25Å; H864-E868 PolarHBondContact O-N 3.22Å; H864-L894 HydrophobicContact CB-CD2 4.12Å; H864-L898 HydrophobicContact CB-CD1 3.89Å |
| 865 | N | 86.8 | Confident | 79.2 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 40% | 0.401 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | -174 | -67.4 | 15.3 | 0 | 0 | 0 | 113.3 | K861 A862 S869 | K861-N865 VanDerWaalsContact O-CG 3.26Å; K861-N865 PolarHBondContact O-N 2.81Å; K861-N865 PolarHBondContact O-OD1 2.76Å; A862-N865 PolarHBondContact O-N 3.33Å; N865-S869 WeakPolarHBondContact O-CB 3.4Å; N865-S869 PolarHBondContact O-N 2.9Å |
| 866 | E | 84.5 | Confident | 77.5 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.8 | -36.9 | 174.8 | -72.4 | -177.7 | -160.5 | 0 | 0 | 111.4 | L826 A829 A862 H864 L870 | L826-E866 HydrophobicContact CD2-CB 3.75Å; A829-E866 WeakPolarHBondContact CB-OE2 3.43Å; A862-E866 WeakPolarHBondContact O-CG 3.42Å; A862-E866 PolarHBondContact O-N 2.9Å; H864-E866 PolarHBondContact O-N 3.37Å; E866-L870 WeakPolarHBondContact O-CG 3.28Å; E866-L870 PolarHBondContact O-N 3.04Å |
| 867 | T | 84.9 | Confident | 76 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.1 | -43.9 | 177.4 | -49.8 | 0 | 0 | 0 | 0 | 111.8 | L808 I812 L826 L863 H864 S869 L870 L871 L887 L891 | L808-T867 HydrophobicContact CD1-CG2 4.46Å; I812-T867 HydrophobicContact CD1-CG2 4.22Å; I812-T867 HydrophobicContact CG1-CG2 4.47Å; L826-T867 HydrophobicContact CD1-CG2 4.21Å; L863-T867 WeakPolarHBondContact O-CB 3.44Å; L863-T867 PolarHBondContact O-N 2.9Å; L863-T867 PolarHBondContact O-OG1 3.32Å; H864-T867 PolarHBondContact O-N 3.44Å; H864-T867 VanDerWaalsContact O-N 3.15Å; T867-S869 PolarHBondContact O-N 3.45Å; T867-L870 PolarHBondContact O-N 3.02Å; T867-L871 PolarHBondContact O-N 3.25Å; T867-L871 VanDerWaalsContact O-N 3.13Å; T867-L887 HydrophobicContact CG2-CD1 4.14Å; T867-L887 HydrophobicContact CG2-CD2 4.49Å; T867-L887 HydrophobicContact CG2-CG 4.41Å; T867-L891 HydrophobicContact CG2-CD1 3.68Å |
| 868 | E | 84.8 | Confident | 74.6 | Confident | 77 Ų | 77 | 68.2 Ų | 68.2 | 36% | 0.36 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 174.5 | -174.4 | -171.4 | -170 | 0 | 0 | 111.2 | H864 L870 L871 L872 L891 | H864-E868 IonicContact CE1-OE2 3.09Å; H864-E868 PolarHBondContact CE1-OE2 3.42Å; H864-E868 IonicContact ND1-OE2 3.12Å; H864-E868 WeakPolarHBondContact O-CB 3.25Å; H864-E868 PolarHBondContact O-N 3.22Å; E868-L870 PolarHBondContact O-N 3.45Å; E868-L871 PolarHBondContact O-N 3.49Å; E868-L871 VanDerWaalsContact O-N 3.15Å; E868-L872 HydrophobicContact CG-CD1 3.82Å; E868-L872 HydrophobicContact CG-CG 4.32Å; E868-L872 WeakPolarHBondContact O-CB 3.48Å; E868-L872 WeakPolarHBondContact O-CG 3.45Å; E868-L872 PolarHBondContact O-N 3.08Å; E868-L891 HydrophobicContact CB-CD1 4.16Å; E868-L891 HydrophobicContact CB-CD2 4.37Å |
| 869 | S | 81.2 | Confident | 73.5 | Confident | 80 Ų | 80 | 66.4 Ų | 66.4 | 56% | 0.559 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.7 | -27.2 | 177.6 | -173 | 0 | 0 | 0 | 0 | 113.4 | N865 T867 G873 | N865-S869 WeakPolarHBondContact O-CB 3.4Å; N865-S869 PolarHBondContact O-N 2.9Å; T867-S869 PolarHBondContact O-N 3.45Å; S869-G873 VanDerWaalsContact O-CA 3.3Å; S869-G873 WeakPolarHBondContact O-CA 3.41Å; S869-G873 PolarHBondContact O-N 3.38Å |
| 870 | L | 76.8 | Confident | 72.6 | Confident | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.23 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -79.1 | -31.4 | 173.5 | -74.1 | 170.7 | 0 | 0 | 0 | 113.1 | E825 L826 E866 T867 E868 L877 | E825-L870 HydrophobicContact CB-CD1 4.13Å; E825-L870 HydrophobicContact CB-CD2 4.5Å; L826-L870 HydrophobicContact CD1-CD1 3.91Å; L826-L870 HydrophobicContact CD2-CD1 3.68Å; L826-L870 HydrophobicContact CG-CD1 3.52Å; E866-L870 WeakPolarHBondContact O-CG 3.28Å; E866-L870 PolarHBondContact O-N 3.04Å; T867-L870 PolarHBondContact O-N 3.02Å; E868-L870 PolarHBondContact O-N 3.45Å; L870-L877 HydrophobicContact CB-CD1 4.43Å |
| 871 | L | 73.4 | Confident | 71.5 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -75.6 | -39 | 173.7 | -67.9 | 172 | 0 | 0 | 0 | 112.3 | T867 E868 L887 L891 | T867-L871 PolarHBondContact O-N 3.25Å; T867-L871 VanDerWaalsContact O-N 3.13Å; E868-L871 PolarHBondContact O-N 3.49Å; E868-L871 VanDerWaalsContact O-N 3.15Å; L871-L887 HydrophobicContact CD2-CD2 4.25Å; L871-L891 HydrophobicContact CD1-CD1 4.42Å |
| 872 | L | 71.5 | Confident | 70.8 | Confident | 131 Ų | 131 | 76.1 Ų | 76.1 | 69% | 0.686 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -82.8 | -22.5 | 177.7 | -63.9 | 179 | 0 | 0 | 0 | 113.3 | E868 | E868-L872 HydrophobicContact CG-CD1 3.82Å; E868-L872 HydrophobicContact CG-CG 4.32Å; E868-L872 WeakPolarHBondContact O-CB 3.48Å; E868-L872 WeakPolarHBondContact O-CG 3.45Å; E868-L872 PolarHBondContact O-N 3.08Å |
| 873 | G | 60.1 | Low | 70.1 | Confident | 32 Ų | 32 | 76.4 Ų | 76.4 | 33% | 0.33 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -70.5 | 136.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S869 V875 | S869-G873 VanDerWaalsContact O-CA 3.3Å; S869-G873 WeakPolarHBondContact O-CA 3.41Å; S869-G873 PolarHBondContact O-N 3.38Å; G873-V875 PolarHBondContact O-N 2.85Å |
| 874 | R | 49.5 | Very low | 69.5 | Low | 258 Ų | 258 | 80.9 Ų | 80.9 | 97% | 0.974 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -74.5 | 56.8 | 177.6 | -65.9 | -171 | -176.8 | -177.8 | 1.8 | 113.6 | ||
| 875 | V | 45.3 | Very low | 69.1 | Low | 99 Ų | 99 | 87.5 Ų | 87.5 | 60% | 0.6 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -110 | 127 | 161.4 | 178.8 | 0 | 0 | 0 | 0 | 106.3 | G873 L877 | G873-V875 PolarHBondContact O-N 2.85Å; V875-L877 PolarHBondContact O-N 3.39Å |
| 876 | S | 46.8 | Very low | 68.9 | Low | 117 Ų | 117 | 87.7 Ų | 87.7 | 82% | 0.818 | 46% | 0.461 | S | S | * | . | trans | -74.6 | 75 | -178.7 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | Q878 | S876-Q878 VanDerWaalsContact C-N 3.27Å; S876-Q878 PolarHBondContact O-N 2.95Å | ||
| 877 | L | 53.7 | Low | 68.8 | Low | 35 Ų | 35 | 84 Ų | 84 | 18% | 0.183 | 44% | 0.443 | C | S | . | . | trans | -62.6 | 92.9 | 158.1 | -73.7 | 172.7 | 0 | 0 | 0 | 107.6 | N819 L822 L870 V875 L879 | N819-L877 WeakPolarHBondContact ND2-CD2 3.34Å; L822-L877 HydrophobicContact CD1-CD1 4.45Å; L870-L877 HydrophobicContact CB-CD1 4.43Å; V875-L877 PolarHBondContact O-N 3.39Å; L877-L879 HydrophobicContact CB-CG 4.36Å; L877-L879 PolarHBondContact O-N 2.93Å | ||
| 878 | Q | 54.5 | Low | 68.8 | Low | 182 Ų | 182 | 85.5 Ų | 85.5 | 85% | 0.85 | 45% | 0.454 | S | S | * | . | trans | -73.7 | 73.6 | 161.5 | -67.2 | -172.9 | -59.2 | 0 | 0 | 107.8 | S876 | S876-Q878 VanDerWaalsContact C-N 3.27Å; S876-Q878 PolarHBondContact O-N 2.95Å | ||
| 879 | L | 61.8 | Low | 68.9 | Low | 15 Ų | 15 | 85.4 Ų | 85.4 | 8% | 0.079 | 46% | 0.462 | C | S | . | . | trans | -71 | 149.3 | 158 | -69.2 | 169.5 | 0 | 0 | 0 | 107.7 | A815 N819 L877 E884 L887 | A815-L879 HydrophobicContact CB-CD2 4.01Å; N819-L879 HydrophobicContact CB-CD2 4.09Å; L877-L879 HydrophobicContact CB-CG 4.36Å; L877-L879 PolarHBondContact O-N 2.93Å; L879-E884 HydrophobicContact CB-CB 4.21Å; L879-E884 HydrophobicContact CD1-CB 4.5Å; L879-L887 HydrophobicContact CD1-CD2 4.32Å | ||
| 880 | D | 67.4 | Low | 69.3 | Low | 104 Ų | 104 | 82 Ų | 82 | 56% | 0.556 | 44% | 0.439 | S | S | * | . | trans | -68.2 | 140.1 | 169.5 | -85.1 | -44.2 | 0 | 0 | 0 | 108.8 | P882 E883 E884 | D880-P882 VanDerWaalsContact C-CD 3.41Å; D880-P882 VanDerWaalsContact C-N 3.34Å; D880-P882 HydrophobicContact CB-CG 4.47Å; D880-P882 VanDerWaalsContact O-N 3.11Å; D880-E883 HydrophobicContact CB-CG 4.44Å; D880-E883 WeakPolarHBondContact O-CA 3.26Å; D880-E883 WeakPolarHBondContact O-CB 3.27Å; D880-E883 PolarHBondContact O-N 2.88Å; D880-E884 PolarHBondContact O-N 3.29Å | ||
| 881 | P | 67.7 | Low | 69.8 | Low | 92 Ų | 92 | 80.7 Ų | 80.7 | 60% | 0.597 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -46.3 | -42.1 | -175.8 | -30.4 | 35.1 | 0 | 0 | 0 | 116.6 | E883 E884 E885 | P881-E883 VanDerWaalsContact C-N 3.3Å; P881-E883 PolarHBondContact O-N 3.38Å; P881-E884 PolarHBondContact O-N 2.94Å; P881-E885 WeakPolarHBondContact O-CB 3.49Å; P881-E885 PolarHBondContact O-N 2.73Å |
| 882 | P | 72.8 | Confident | 70.4 | Confident | 73 Ų | 73 | 84.7 Ų | 84.7 | 47% | 0.474 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.1 | -25.3 | 175.7 | 26.9 | -36.8 | 0 | 0 | 0 | 114.2 | D880 Q886 | D880-P882 VanDerWaalsContact C-CD 3.41Å; D880-P882 VanDerWaalsContact C-N 3.34Å; D880-P882 HydrophobicContact CB-CG 4.47Å; D880-P882 VanDerWaalsContact O-N 3.11Å; P882-Q886 WeakPolarHBondContact O-CB 3.41Å; P882-Q886 VanDerWaalsContact O-CD 3.23Å; P882-Q886 WeakPolarHBondContact O-CG 3.26Å; P882-Q886 PolarHBondContact O-N 2.93Å; P882-Q886 PolarHBondContact O-NE2 3.16Å |
| 883 | E | 70.3 | Confident | 71.3 | Confident | 47 Ų | 47 | 81.5 Ų | 81.5 | 22% | 0.22 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -77.2 | -40.9 | 176.5 | -57.8 | -167.1 | 149.8 | 0 | 0 | 110.8 | T818 D880 P881 Q886 L887 | T818-E883 WeakPolarHBondContact CG2-OE1 3.27Å; T818-E883 PolarHBondContact OG1-OE2 3.29Å; D880-E883 HydrophobicContact CB-CG 4.44Å; D880-E883 WeakPolarHBondContact O-CA 3.26Å; D880-E883 WeakPolarHBondContact O-CB 3.27Å; D880-E883 PolarHBondContact O-N 2.88Å; P881-E883 VanDerWaalsContact C-N 3.3Å; P881-E883 PolarHBondContact O-N 3.38Å; E883-Q886 PolarHBondContact O-N 3.01Å; E883-L887 VanDerWaalsContact O-CB 3.3Å; E883-L887 WeakPolarHBondContact O-CB 3.42Å; E883-L887 PolarHBondContact O-N 3.45Å |
| 884 | E | 77.4 | Confident | 72.7 | Confident | 93 Ų | 93 | 80 Ų | 80 | 44% | 0.435 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 175.7 | -169.7 | -179.3 | 174.7 | 0 | 0 | 112 | L879 D880 P881 S888 | L879-E884 HydrophobicContact CB-CB 4.21Å; L879-E884 HydrophobicContact CD1-CB 4.5Å; D880-E884 PolarHBondContact O-N 3.29Å; P881-E884 PolarHBondContact O-N 2.94Å; E884-S888 VanDerWaalsContact O-CB 3.27Å; E884-S888 WeakPolarHBondContact O-CB 3.48Å; E884-S888 PolarHBondContact O-N 2.94Å; E884-S888 PolarHBondContact O-OG 2.89Å |
| 885 | E | 79.8 | Confident | 74.5 | Confident | 150 Ų | 150 | 72 Ų | 72 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.1 | -42.1 | 177.1 | -172.5 | 172.6 | -152.2 | 0 | 0 | 111.9 | P881 S889 | P881-E885 WeakPolarHBondContact O-CB 3.49Å; P881-E885 PolarHBondContact O-N 2.73Å; E885-S889 VanDerWaalsContact O-CB 3.31Å; E885-S889 WeakPolarHBondContact O-CB 3.43Å; E885-S889 PolarHBondContact O-N 3.48Å |
| 886 | Q | 81.9 | Confident | 76.5 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 37% | 0.369 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 176 | -76.3 | 168.6 | 59.2 | 0 | 0 | 112.5 | P882 E883 S889 A890 | P882-Q886 WeakPolarHBondContact O-CB 3.41Å; P882-Q886 VanDerWaalsContact O-CD 3.23Å; P882-Q886 WeakPolarHBondContact O-CG 3.26Å; P882-Q886 PolarHBondContact O-N 2.93Å; P882-Q886 PolarHBondContact O-NE2 3.16Å; E883-Q886 PolarHBondContact O-N 3.01Å; Q886-S889 PolarHBondContact O-N 2.92Å; Q886-A890 PolarHBondContact O-N 2.72Å |
| 887 | L | 84.2 | Confident | 78.4 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.9 | -176.9 | 59.7 | 0 | 0 | 0 | 111.2 | L808 R811 I812 T867 L871 L879 E883 A890 L891 | L808-L887 HydrophobicContact CD1-CD1 3.72Å; R811-L887 HydrophobicContact CB-CD1 4.22Å; I812-L887 HydrophobicContact CG1-CD1 3.65Å; T867-L887 HydrophobicContact CG2-CD1 4.14Å; T867-L887 HydrophobicContact CG2-CD2 4.49Å; T867-L887 HydrophobicContact CG2-CG 4.41Å; L871-L887 HydrophobicContact CD2-CD2 4.25Å; L879-L887 HydrophobicContact CD1-CD2 4.32Å; E883-L887 VanDerWaalsContact O-CB 3.3Å; E883-L887 WeakPolarHBondContact O-CB 3.42Å; E883-L887 PolarHBondContact O-N 3.45Å; L887-A890 PolarHBondContact O-N 3.4Å; L887-L891 WeakPolarHBondContact O-CB 3.43Å; L887-L891 PolarHBondContact O-N 3.15Å |
| 888 | S | 84.3 | Confident | 79.9 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 175.4 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | E884 L891 Q892 | E884-S888 VanDerWaalsContact O-CB 3.27Å; E884-S888 WeakPolarHBondContact O-CB 3.48Å; E884-S888 PolarHBondContact O-N 2.94Å; E884-S888 PolarHBondContact O-OG 2.89Å; S888-L891 PolarHBondContact O-N 3.49Å; S888-Q892 WeakPolarHBondContact O-CG 3.49Å; S888-Q892 PolarHBondContact O-N 3.13Å |
| 889 | S | 87.2 | Confident | 81.1 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 52% | 0.524 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66 | -43 | 176.7 | -175.8 | 0 | 0 | 0 | 0 | 112.2 | E885 Q886 L891 Q892 S893 | E885-S889 VanDerWaalsContact O-CB 3.31Å; E885-S889 WeakPolarHBondContact O-CB 3.43Å; E885-S889 PolarHBondContact O-N 3.48Å; Q886-S889 PolarHBondContact O-N 2.92Å; S889-L891 VanDerWaalsContact C-N 3.34Å; S889-L891 PolarHBondContact O-N 2.71Å; S889-Q892 PolarHBondContact O-N 3.2Å; S889-S893 PolarHBondContact O-N 3.11Å |
| 890 | A | 88.1 | Confident | 82.1 | Confident | 8 Ų | 8 | 62 Ų | 62 | 7% | 0.066 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | E807 L808 R811 Q886 L887 S893 L894 | E807-A890 HydrophobicContact CG-CB 4.47Å; L808-A890 HydrophobicContact CB-CB 4.42Å; L808-A890 HydrophobicContact CD1-CB 3.95Å; R811-A890 HydrophobicContact CG-CB 3.96Å; Q886-A890 PolarHBondContact O-N 2.72Å; L887-A890 PolarHBondContact O-N 3.4Å; A890-S893 PolarHBondContact O-N 2.84Å; A890-L894 PolarHBondContact O-N 2.83Å |
| 891 | L | 88 | Confident | 82.7 | Confident | 17 Ų | 17 | 57 Ų | 57 | 9% | 0.089 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66 | -45.3 | 177.1 | -171.4 | 131.1 | 0 | 0 | 0 | 112 | L808 T867 E868 L871 L887 S888 S889 S893 L894 D895 | L808-L891 HydrophobicContact CD1-CB 4.23Å; T867-L891 HydrophobicContact CG2-CD1 3.68Å; E868-L891 HydrophobicContact CB-CD1 4.16Å; E868-L891 HydrophobicContact CB-CD2 4.37Å; L871-L891 HydrophobicContact CD1-CD1 4.42Å; L887-L891 WeakPolarHBondContact O-CB 3.43Å; L887-L891 PolarHBondContact O-N 3.15Å; S888-L891 PolarHBondContact O-N 3.49Å; S889-L891 VanDerWaalsContact C-N 3.34Å; S889-L891 PolarHBondContact O-N 2.71Å; L891-S893 VanDerWaalsContact C-N 3.3Å; L891-S893 PolarHBondContact O-N 3.05Å; L891-L894 WeakPolarHBondContact O-CB 3.27Å; L891-L894 PolarHBondContact O-N 3.08Å; L891-D895 PolarHBondContact O-N 3.48Å |
| 892 | Q | 87.1 | Confident | 82.9 | Confident | 134 Ų | 134 | 53.4 Ų | 53.4 | 63% | 0.626 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61 | -38.2 | 173.2 | -71.6 | 173.5 | 17.5 | 0 | 0 | 112.2 | S888 S889 L894 D895 V896 | S888-Q892 WeakPolarHBondContact O-CG 3.49Å; S888-Q892 PolarHBondContact O-N 3.13Å; S889-Q892 PolarHBondContact O-N 3.2Å; Q892-L894 PolarHBondContact O-N 2.89Å; Q892-D895 PolarHBondContact O-N 2.79Å; Q892-V896 WeakPolarHBondContact O-CG2 3.44Å; Q892-V896 PolarHBondContact O-N 2.96Å |
| 893 | S | 88.8 | Confident | 82.9 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -27.4 | 174.6 | -169.9 | 0 | 0 | 0 | 0 | 112.9 | S889 A890 L891 | S889-S893 PolarHBondContact O-N 3.11Å; A890-S893 PolarHBondContact O-N 2.84Å; L891-S893 VanDerWaalsContact C-N 3.3Å; L891-S893 PolarHBondContact O-N 3.05Å |
| 894 | L | 89.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -79.1 | -41 | 175.9 | -179.7 | 59.2 | 0 | 0 | 0 | 112.2 | A804 A805 L808 V860 H864 A890 L891 Q892 V896 E897 L898 | A804-L894 HydrophobicContact CB-CB 4.4Å; A804-L894 HydrophobicContact CB-CD1 3.89Å; A805-L894 HydrophobicContact CB-CD1 4.09Å; A805-L894 HydrophobicContact CB-CD2 4.45Å; L808-L894 HydrophobicContact CD2-CD2 3.48Å; L808-L894 VanDerWaalsContact CD2-CD2 3.48Å; V860-L894 HydrophobicContact CG1-CD1 3.68Å; V860-L894 HydrophobicContact CG1-CD2 3.91Å; V860-L894 HydrophobicContact CG1-CG 4.28Å; H864-L894 HydrophobicContact CB-CD2 4.12Å; A890-L894 PolarHBondContact O-N 2.83Å; L891-L894 WeakPolarHBondContact O-CB 3.27Å; L891-L894 PolarHBondContact O-N 3.08Å; Q892-L894 PolarHBondContact O-N 2.89Å; L894-V896 VanDerWaalsContact C-N 3.29Å; L894-V896 PolarHBondContact O-N 3.19Å; L894-E897 PolarHBondContact O-N 3.17Å; L894-E897 VanDerWaalsContact O-N 3.11Å; L894-L898 HydrophobicContact CD1-CD1 4.42Å; L894-L898 HydrophobicContact CD1-CG 4.25Å; L894-L898 HydrophobicContact CD2-CD1 4.45Å; L894-L898 HydrophobicContact CG-CD1 3.95Å; L894-L898 HydrophobicContact CG-CG 4.27Å; L894-L898 PolarHBondContact O-N 3.07Å |
| 895 | D | 87.9 | Confident | 82.7 | Confident | 91 Ų | 91 | 56.3 Ų | 56.3 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.4 | -43.2 | 175.7 | -175.6 | 47.4 | 0 | 0 | 0 | 111.7 | L891 Q892 E897 L898 G899 | L891-D895 PolarHBondContact O-N 3.48Å; Q892-D895 PolarHBondContact O-N 2.79Å; D895-E897 VanDerWaalsContact C-N 3.31Å; D895-E897 PolarHBondContact O-N 2.96Å; D895-L898 PolarHBondContact O-N 3.01Å; D895-G899 PolarHBondContact O-N 3.3Å |
| 896 | V | 87.9 | Confident | 82.6 | Confident | 86 Ų | 86 | 51.8 Ų | 51.8 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60 | -35.9 | 176 | 170.4 | 0 | 0 | 0 | 0 | 113.1 | Q892 L894 K900 | Q892-V896 WeakPolarHBondContact O-CG2 3.44Å; Q892-V896 PolarHBondContact O-N 2.96Å; L894-V896 VanDerWaalsContact C-N 3.29Å; L894-V896 PolarHBondContact O-N 3.19Å; V896-K900 WeakPolarHBondContact O-CG 3.4Å |
| 897 | E | 86.7 | Confident | 82.1 | Confident | 20 Ų | 20 | 48 Ų | 48 | 9% | 0.093 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -82 | -32.9 | 176.2 | -59 | -54.2 | 142.6 | 0 | 0 | 112.5 | C801 A804 L894 D895 G899 K900 L901 | C801-E897 HydrophobicContact CB-CB 4Å; A804-E897 HydrophobicContact CB-CG 4.04Å; L894-E897 PolarHBondContact O-N 3.17Å; L894-E897 VanDerWaalsContact O-N 3.11Å; D895-E897 VanDerWaalsContact C-N 3.31Å; D895-E897 PolarHBondContact O-N 2.96Å; E897-G899 VanDerWaalsContact C-N 3.33Å; E897-K900 PolarHBondContact O-N 3.37Å; E897-K900 IonicContact OE1-NZ 2.84Å; E897-K900 PolarHBondContact OE1-NZ 2.78Å; E897-K900 WeakPolarHBondContact OE2-CD 3.36Å; E897-K900 IonicContact OE2-NZ 3.83Å; E897-K900 PolarHBondContact OE2-NZ 3.21Å; E897-L901 PolarHBondContact O-N 2.94Å; E897-L901 VanDerWaalsContact O-N 3.11Å |
| 898 | L | 84.6 | Confident | 81.2 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.073 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 171.9 | -77.3 | 171.7 | 0 | 0 | 0 | 111.7 | V860 K861 H864 L894 D895 K900 L901 G902 L911 | V860-L898 HydrophobicContact CG1-CD2 4.21Å; K861-L898 HydrophobicContact CB-CD2 4.37Å; H864-L898 HydrophobicContact CB-CD1 3.89Å; L894-L898 HydrophobicContact CD1-CD1 4.42Å; L894-L898 HydrophobicContact CD1-CG 4.25Å; L894-L898 HydrophobicContact CD2-CD1 4.45Å; L894-L898 HydrophobicContact CG-CD1 3.95Å; L894-L898 HydrophobicContact CG-CG 4.27Å; L894-L898 PolarHBondContact O-N 3.07Å; D895-L898 PolarHBondContact O-N 3.01Å; L898-K900 PolarHBondContact O-N 3.22Å; L898-L901 PolarHBondContact O-N 2.73Å; L898-G902 PolarHBondContact O-N 2.91Å; L898-G902 VanDerWaalsContact O-N 3.09Å; L898-L911 HydrophobicContact CD2-CD2 4.23Å |
| 899 | G | 80.3 | Confident | 80 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 50% | 0.495 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D895 E897 G902 | D895-G899 PolarHBondContact O-N 3.3Å; E897-G899 VanDerWaalsContact C-N 3.33Å; G899-G902 WeakPolarHBondContact O-CA 3.26Å; G899-G902 PolarHBondContact O-N 2.97Å |
| 900 | K | 82.6 | Confident | 78.9 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 30% | 0.3 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 176 | -63.4 | 170.1 | -159.8 | 169.5 | 0 | 112.6 | L797 V896 E897 L898 G902 E903 | L797-K900 HydrophobicContact CD2-CB 4.35Å; L797-K900 HydrophobicContact CD2-CD 4.49Å; V896-K900 WeakPolarHBondContact O-CG 3.4Å; E897-K900 PolarHBondContact O-N 3.37Å; E897-K900 IonicContact OE1-NZ 2.84Å; E897-K900 PolarHBondContact OE1-NZ 2.78Å; E897-K900 WeakPolarHBondContact OE2-CD 3.36Å; E897-K900 IonicContact OE2-NZ 3.83Å; E897-K900 PolarHBondContact OE2-NZ 3.21Å; L898-K900 PolarHBondContact O-N 3.22Å; K900-G902 PolarHBondContact O-N 2.96Å; K900-E903 WeakPolarHBondContact O-CB 3.15Å; K900-E903 PolarHBondContact O-N 2.93Å |
| 901 | L | 79.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -25.2 | 172.3 | -70.5 | -177 | 0 | 0 | 0 | 112.4 | L797 M798 C801 E897 L898 E903 I904 L907 L911 | L797-L901 HydrophobicContact CB-CD2 4Å; M798-L901 HydrophobicContact CE-CD1 3.73Å; M798-L901 HydrophobicContact CE-CD2 3.68Å; M798-L901 HydrophobicContact CE-CG 4.34Å; M798-L901 HydrophobicContact SD-CD1 3.75Å; M798-L901 HydrophobicContact SD-CD2 4.25Å; C801-L901 HydrophobicContact CB-CD1 3.51Å; C801-L901 HydrophobicContact CB-CG 4.1Å; C801-L901 VanDerWaalsContact SG-CD1 3.53Å; E897-L901 PolarHBondContact O-N 2.94Å; E897-L901 VanDerWaalsContact O-N 3.11Å; L898-L901 PolarHBondContact O-N 2.73Å; L901-E903 PolarHBondContact O-N 2.87Å; L901-I904 HydrophobicContact CD2-CD1 3.81Å; L901-I904 WeakPolarHBondContact O-CB 3.38Å; L901-I904 PolarHBondContact O-N 3.42Å; L901-L907 HydrophobicContact CB-CD1 4.33Å; L901-L907 HydrophobicContact CD2-CD1 4.27Å; L901-L911 HydrophobicContact CB-CD1 3.43Å; L901-L911 VanDerWaalsContact CB-CD1 3.43Å; L901-L911 WeakPolarHBondContact O-CD1 3.47Å |
| 902 | G | 71.3 | Confident | 76.2 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.5 | -27.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L898 G899 K900 I904 Y908 | L898-G902 PolarHBondContact O-N 2.91Å; L898-G902 VanDerWaalsContact O-N 3.09Å; G899-G902 WeakPolarHBondContact O-CA 3.26Å; G899-G902 PolarHBondContact O-N 2.97Å; K900-G902 PolarHBondContact O-N 2.96Å; G902-I904 PolarHBondContact O-N 2.9Å; G902-Y908 WeakPolarHBondContact O-CD2 3.42Å |
| 903 | E | 73.1 | Confident | 74.4 | Confident | 160 Ų | 160 | 60.3 Ų | 60.3 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -17.3 | 178.4 | -57.3 | -173 | 174.2 | 0 | 0 | 112.9 | K900 L901 P905 | K900-E903 WeakPolarHBondContact O-CB 3.15Å; K900-E903 PolarHBondContact O-N 2.93Å; L901-E903 PolarHBondContact O-N 2.87Å; E903-P905 WeakPolarHBondContact O-CD 3.3Å |
| 904 | I | 76.7 | Confident | 72.2 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.051 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -75.4 | 116.1 | 179.5 | -63.9 | 172.9 | 0 | 0 | 0 | 109.4 | E794 L797 L901 G902 W906 L907 Y908 | E794-I904 HydrophobicContact CB-CD1 4.31Å; E794-I904 HydrophobicContact CG-CD1 4.14Å; E794-I904 HydrophobicContact CG-CG1 4.39Å; E794-I904 HydrophobicContact CG-CG2 4.37Å; L797-I904 HydrophobicContact CD1-CD1 4.16Å; L797-I904 HydrophobicContact CD1-CG1 4.44Å; L901-I904 HydrophobicContact CD2-CD1 3.81Å; L901-I904 WeakPolarHBondContact O-CB 3.38Å; L901-I904 PolarHBondContact O-N 3.42Å; G902-I904 PolarHBondContact O-N 2.9Å; I904-W906 HydrophobicContact CG2-CD2 3.87Å; I904-W906 HydrophobicContact CG2-CG 4.12Å; I904-W906 HydrophobicContact CG2-CH2 4.48Å; I904-W906 HydrophobicContact CG2-CZ2 3.75Å; I904-W906 PolarHBondContact O-N 3.23Å; I904-L907 HydrophobicContact CB-CB 4.21Å; I904-L907 HydrophobicContact CB-CD1 4.17Å; I904-L907 HydrophobicContact CB-CG 4.38Å; I904-L907 HydrophobicContact CD1-CD1 4.01Å; I904-L907 HydrophobicContact CG2-CB 4.33Å; I904-L907 HydrophobicContact CG2-CD1 4.17Å; I904-L907 HydrophobicContact CG2-CG 4.13Å; I904-L907 PolarHBondContact O-N 2.81Å; I904-Y908 PolarHBondContact O-N 2.96Å |
| 905 | P | 67.8 | Low | 69.6 | Low | 105 Ų | 105 | 68.3 Ų | 68.3 | 68% | 0.682 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.9 | -166.7 | -28.3 | 36.3 | 0 | 0 | 0 | 116.4 | E903 | E903-P905 WeakPolarHBondContact O-CD 3.3Š|
| 906 | W | 76.4 | Confident | 67.1 | Low | 55 Ų | 55 | 70.4 Ų | 70.4 | 21% | 0.208 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -6.7 | 176.5 | 54.9 | -93.2 | 0 | 0 | 0 | 114.1 | E794 R850 A853 I854 I904 | E794-W906 HydrophobicContact CG-CZ2 4.45Å; E794-W906 PolarHBondContact OE1-NE1 3.01Å; R850-W906 HydrophobicContact CG-CD2 3.86Å; R850-W906 HydrophobicContact CG-CE3 3.52Å; R850-W906 HydrophobicContact CG-CH2 3.96Å; R850-W906 HydrophobicContact CG-CZ2 4.24Å; R850-W906 HydrophobicContact CG-CZ3 3.58Å; R850-W906 VanDerWaalsContact NE-CD2 3.34Å; R850-W906 VanDerWaalsContact NE-CE2 3.27Å; A853-W906 HydrophobicContact CB-CH2 3.64Å; A853-W906 HydrophobicContact CB-CZ3 4Å; I854-W906 HydrophobicContact CD1-CE3 4.41Å; I854-W906 HydrophobicContact CG1-CE3 4.19Å; I854-W906 HydrophobicContact CG1-CZ3 3.99Å; I904-W906 HydrophobicContact CG2-CD2 3.87Å; I904-W906 HydrophobicContact CG2-CG 4.12Å; I904-W906 HydrophobicContact CG2-CH2 4.48Å; I904-W906 HydrophobicContact CG2-CZ2 3.75Å; I904-W906 PolarHBondContact O-N 3.23Å |
| 907 | L | 71.6 | Confident | 64.7 | Low | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -25.4 | 169.1 | -71.1 | 177.1 | 0 | 0 | 0 | 113 | M798 I854 A857 L901 I904 H909 I910 L911 | M798-L907 HydrophobicContact CE-CD1 3.53Å; I854-L907 HydrophobicContact CG1-CD2 4.03Å; A857-L907 HydrophobicContact CB-CD1 4.5Å; A857-L907 HydrophobicContact CB-CD2 3.96Å; L901-L907 HydrophobicContact CB-CD1 4.33Å; L901-L907 HydrophobicContact CD2-CD1 4.27Å; I904-L907 HydrophobicContact CB-CB 4.21Å; I904-L907 HydrophobicContact CB-CD1 4.17Å; I904-L907 HydrophobicContact CB-CG 4.38Å; I904-L907 HydrophobicContact CD1-CD1 4.01Å; I904-L907 HydrophobicContact CG2-CB 4.33Å; I904-L907 HydrophobicContact CG2-CD1 4.17Å; I904-L907 HydrophobicContact CG2-CG 4.13Å; I904-L907 PolarHBondContact O-N 2.81Å; L907-H909 VanDerWaalsContact C-N 3.28Å; L907-H909 PolarHBondContact O-N 3.15Å; L907-H909 VanDerWaalsContact O-N 3.11Å; L907-I910 HydrophobicContact CD2-CD1 4.23Å; L907-I910 WeakPolarHBondContact O-CA 3.44Å; L907-I910 WeakPolarHBondContact O-CB 3.28Å; L907-I910 PolarHBondContact O-N 2.92Å; L907-L911 HydrophobicContact CB-CD1 3.9Å; L907-L911 HydrophobicContact CB-CG 4.46Å; L907-L911 PolarHBondContact O-N 3.12Å; L907-L911 VanDerWaalsContact O-N 3.08Å |
| 908 | Y | 65.7 | Low | 62.2 | Low | 115 Ų | 115 | 80.2 Ų | 80.2 | 45% | 0.451 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -40.5 | -51 | 179.7 | -176.3 | -96.3 | 0 | 0 | 0 | 113.9 | G902 I904 I910 L911 Q912 | G902-Y908 WeakPolarHBondContact O-CD2 3.42Å; I904-Y908 PolarHBondContact O-N 2.96Å; Y908-I910 PolarHBondContact O-N 3.07Å; Y908-L911 PolarHBondContact O-N 3.03Å; Y908-Q912 HydrophobicContact CE1-CG 4.26Å; Y908-Q912 PolarHBondContact O-N 2.89Å |
| 909 | H | 60.4 | Low | 59.6 | Low | 160 Ų | 160 | 85.9 Ų | 85.9 | 74% | 0.741 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.5 | -11 | -179.2 | -65.3 | -51.3 | 0 | 0 | 0 | 115.7 | L907 | L907-H909 VanDerWaalsContact C-N 3.28Å; L907-H909 PolarHBondContact O-N 3.15Å; L907-H909 VanDerWaalsContact O-N 3.11Å |
| 910 | I | 62.4 | Low | 57.5 | Low | 58 Ų | 58 | 90.5 Ų | 90.5 | 30% | 0.297 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -97.7 | -31.4 | 174.5 | -61.7 | 155.1 | 0 | 0 | 0 | 109.8 | I854 K861 L907 Y908 | I854-I910 HydrophobicContact CB-CD1 4.47Å; I854-I910 HydrophobicContact CD1-CD1 4.48Å; I854-I910 HydrophobicContact CG1-CD1 3.96Å; I854-I910 HydrophobicContact CG2-CD1 3.92Å; K861-I910 PolarHBondContact NZ-O 3.26Å; L907-I910 HydrophobicContact CD2-CD1 4.23Å; L907-I910 WeakPolarHBondContact O-CA 3.44Å; L907-I910 WeakPolarHBondContact O-CB 3.28Å; L907-I910 PolarHBondContact O-N 2.92Å; Y908-I910 PolarHBondContact O-N 3.07Å |
| 911 | L | 63.2 | Low | 55.1 | Low | 22 Ų | 22 | 95.9 Ų | 95.9 | 12% | 0.115 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -93.2 | -16.5 | -170.4 | -67.2 | 177.7 | 0 | 0 | 0 | 115.1 | A857 K861 L898 L901 L907 Y908 | A857-L911 HydrophobicContact CB-CD2 4.36Å; K861-L911 HydrophobicContact CB-CD2 4.37Å; K861-L911 HydrophobicContact CD-CD2 3.87Å; K861-L911 PolarHBondContact NZ-O 3.02Å; L898-L911 HydrophobicContact CD2-CD2 4.23Å; L901-L911 HydrophobicContact CB-CD1 3.43Å; L901-L911 VanDerWaalsContact CB-CD1 3.43Å; L901-L911 WeakPolarHBondContact O-CD1 3.47Å; L907-L911 HydrophobicContact CB-CD1 3.9Å; L907-L911 HydrophobicContact CB-CG 4.46Å; L907-L911 PolarHBondContact O-N 3.12Å; L907-L911 VanDerWaalsContact O-N 3.08Å; Y908-L911 PolarHBondContact O-N 3.03Å |
| 912 | Q | 57.2 | Low | 52.8 | Low | 81 Ų | 81 | 106.9 Ų | 106.9 | 38% | 0.379 | 52% | 0.521 | S | S | . | . | trans | -58.3 | 147.5 | 172.9 | -77.1 | -163.1 | -70.5 | 0 | 0 | 114.8 | K861 Y908 | K861-Q912 PolarHBondContact NZ-O 2.93Å; Y908-Q912 HydrophobicContact CE1-CG 4.26Å; Y908-Q912 PolarHBondContact O-N 2.89Å | ||
| 913 | P | 48.6 | Very low | 50.7 | Low | 92 Ų | 92 | 113.4 Ų | 113.4 | 60% | 0.597 | 55% | 0.551 | S | S | * | * | trans | -74.8 | 169.6 | 161.1 | 33.7 | -34.1 | 0 | 0 | 0 | 111.6 | D915 | P913-D915 PolarHBondContact O-N 2.84Å; P913-D915 VanDerWaalsContact O-N 3.13Å | ||
| 914 | N | 43.1 | Very low | 48.7 | Very low | 146 Ų | 146 | 112.7 Ų | 112.7 | 78% | 0.781 | 55% | 0.551 | S | S | * | * | trans | -81.7 | 84.2 | 178.6 | -88.4 | -13.9 | 0 | 0 | 0 | 111.9 | E916 | N914-E916 PolarHBondContact O-N 3.5Š| ||
| 915 | D | 33.9 | Very low | 46.3 | Very low | 87 Ų | 87 | 119.4 Ų | 119.4 | 47% | 0.465 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | 3 | 178.3 | -69.3 | -34.9 | 0 | 0 | 0 | 115.3 | P913 N919 | P913-D915 PolarHBondContact O-N 2.84Å; P913-D915 VanDerWaalsContact O-N 3.13Å; D915-N919 PolarHBondContact O-ND2 2.77Å |
| 916 | E | 36.9 | Very low | 44.4 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68 | -34.3 | 174.8 | -85.5 | -82.6 | 138 | 0 | 0 | 113.3 | N914 I918 Q920 | N914-E916 PolarHBondContact O-N 3.5Å; E916-I918 PolarHBondContact O-N 3.45Å; E916-Q920 PolarHBondContact OE2-NE2 2.91Å; E916-Q920 VanDerWaalsContact OE2-NE2 3.08Å |
| 917 | E | 37.2 | Very low | 42.3 | Very low | 168 Ų | 168 | 125.1 Ų | 125.1 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.2 | -23.9 | -171.8 | -70.3 | -160.4 | 132.9 | 0 | 0 | 114.2 | ||
| 918 | I | 34.1 | Very low | 40.1 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -83.3 | -30.6 | -178 | -64.3 | 178.9 | 0 | 0 | 0 | 112 | E916 | E916-I918 PolarHBondContact O-N 3.45Å |
| 919 | N | 30.6 | Very low | 38.2 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -82.8 | -18.3 | -174.1 | -81.2 | -67.1 | 0 | 0 | 0 | 114.9 | D915 Q921 | D915-N919 PolarHBondContact O-ND2 2.77Å; N919-Q921 PolarHBondContact O-N 2.69Å |
| 920 | Q | 34.8 | Very low | 36.6 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 68% | 0.678 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -8.6 | -174.2 | -67.2 | -170.9 | 14.4 | 0 | 0 | 115 | E916 R922 | E916-Q920 PolarHBondContact OE2-NE2 2.91Å; E916-Q920 VanDerWaalsContact OE2-NE2 3.08Å; Q920-R922 PolarHBondContact O-N 2.83Å |
| 921 | Q | 32.9 | Very low | 34.9 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 1.7 | -174.5 | -82 | -166.5 | 8.6 | 0 | 0 | 116.8 | N919 | N919-Q921 PolarHBondContact O-N 2.69Š|
| 922 | R | 30.2 | Very low | 33.1 | Very low | 231 Ų | 231 | 150 Ų | 150 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -124.2 | 2 | -169.3 | -135.2 | 178.2 | -177.7 | 177.7 | 1.7 | 119.2 | Q920 | Q920-R922 PolarHBondContact O-N 2.83Š|
| 923 | L | 28.9 | Very low | 31.5 | Very low | 153 Ų | 153 | 152 Ų | 152 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -136.8 | 96.9 | 178.3 | -78.5 | 174.5 | 0 | 0 | 0 | 115.9 | ||
| 924 | I | 29.8 | Very low | 30.6 | Very low | 144 Ų | 144 | 158.4 Ų | 158.4 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 67.6 | 112.8 | 138.4 | -55 | 176.8 | 0 | 0 | 0 | 119.8 | ||||
| 925 | L | 27.4 | Very low | 29.8 | Very low | 152 Ų | 152 | 157.2 Ų | 157.2 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | trans | 16.9 | 144.2 | 143.1 | -79.6 | 70.2 | 0 | 0 | 0 | 123.1 | ||||
| 926 | E | 26.4 | Very low | 29.5 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 78.6 | 147.9 | 148.9 | -72.9 | -87.6 | 102.6 | 0 | 0 | 118.9 | ||||
| 927 | P | 32.4 | Very low | 29.1 | Very low | 101 Ų | 101 | 158.1 Ų | 158.1 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | trans | -128.9 | 144.1 | -141.9 | 37.4 | -20.5 | 0 | 0 | 0 | 116.5 | ||||
| 928 | L | 25.6 | Very low | 28.6 | Very low | 163 Ų | 163 | 158.8 Ų | 158.8 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -143.7 | 87.2 | 164.3 | -157 | 73.4 | 0 | 0 | 0 | 115.5 | ||||
| 929 | K | 26.6 | Very low | 28.3 | Very low | 193 Ų | 193 | 163.1 Ų | 163.1 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | 46.5 | 95.1 | 148.4 | -65.4 | 176.7 | -179.6 | 172.1 | 0 | 117.3 | ||||
| 930 | T | 26.6 | Very low | 28.2 | Very low | 137 Ų | 137 | 164.5 Ų | 164.5 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -59 | 152.2 | 169.3 | 48 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 931 | R | 26 | Very low | 27.9 | Very low | 241 Ų | 241 | 163.4 Ų | 163.4 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -127.2 | 98.2 | 178.8 | -179.6 | 179.1 | 175.8 | 179.6 | -2.1 | 109.3 | S933 | R931-S933 PolarHBondContact O-N 3.24Š| ||
| 932 | N | 25.6 | Very low | 27.8 | Very low | 145 Ų | 145 | 160.2 Ų | 160.2 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | trans | -57 | 121 | -173.6 | -71.3 | -8.9 | 0 | 0 | 0 | 112.8 | ||||
| 933 | S | 23.8 | Very low | 27.6 | Very low | 121 Ų | 121 | 158.9 Ų | 158.9 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -112.4 | 125 | 159.5 | -166.4 | 0 | 0 | 0 | 0 | 107.4 | R931 | R931-S933 PolarHBondContact O-N 3.24Š| ||
| 934 | R | 29.9 | Very low | 27.5 | Very low | 228 Ų | 228 | 161.7 Ų | 161.7 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -110.3 | 114 | 174.5 | -80.4 | -176.3 | 169.1 | 177 | -5 | 108.5 | ||||
| 935 | S | 26.9 | Very low | 27.4 | Very low | 121 Ų | 121 | 164.4 Ų | 164.4 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -67.3 | 147.5 | 163.3 | 44.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 936 | S | 25.8 | Very low | 27.3 | Very low | 96 Ų | 96 | 165.6 Ų | 165.6 | 67% | 0.671 | 82% | 0.822 | S | S | * | * | trans | -128 | 103 | -179.9 | 58.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 937 | V | 29.3 | Very low | 27.2 | Very low | 144 Ų | 144 | 164.9 Ų | 164.9 | 87% | 0.873 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93 | 129.9 | 165.4 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 938 | F | 27.9 | Very low | 27.2 | Very low | 182 Ų | 182 | 170 Ų | 170 | 80% | 0.798 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 125 | -178.7 | -74.8 | -108.4 | 0 | 0 | 0 | 110.3 | ||
| 939 | R | 27.7 | Very low | 27 | Very low | 235 Ų | 235 | 166.9 Ų | 166.9 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 137.6 | 155.5 | -86.3 | -174.3 | 173 | 174.1 | -1.8 | 109.2 | ||
| 940 | I | 28.6 | Very low | 26.9 | Very low | 161 Ų | 161 | 162.6 Ų | 162.6 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 139.2 | 176.8 | -62.8 | 171.4 | 0 | 0 | 0 | 108 | ||
| 941 | V | 28.4 | Very low | 27.1 | Very low | 123 Ų | 123 | 165 Ų | 165 | 75% | 0.745 | 83% | 0.828 | S | S | * | * | trans | -128.2 | 122.4 | 179.4 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 942 | P | 29 | Very low | 26.9 | Very low | 116 Ų | 116 | 163.5 Ų | 163.5 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -68.9 | 149.7 | 172.1 | -17.2 | 31.5 | 0 | 0 | 0 | 112.2 | ||||
| 943 | K | 26.6 | Very low | 26.9 | Very low | 203 Ų | 203 | 163.6 Ų | 163.6 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -87.1 | 131.8 | 175.6 | -70.5 | -179.8 | 177.9 | 177.2 | 0 | 111.7 | ||||
| 944 | F | 26.2 | Very low | 26.9 | Very low | 212 Ų | 212 | 163.3 Ų | 163.3 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -131.6 | 158.4 | 152.2 | -104.1 | -90.8 | 0 | 0 | 0 | 111.1 | ||||
| 945 | K | 29.5 | Very low | 27.2 | Very low | 200 Ų | 200 | 157.9 Ų | 157.9 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | trans | -93.6 | 145.1 | 174.9 | -63.1 | 173.9 | 176.9 | 176.7 | 0 | 109.3 | ||||
| 946 | K | 25.3 | Very low | 27.1 | Very low | 178 Ų | 178 | 161.1 Ų | 161.1 | 77% | 0.774 | 83% | 0.828 | S | S | * | * | 163.9 | 134.1 | 104.7 | -161.3 | 178.2 | -169.8 | -110.3 | 0 | 112.6 | |||||
| 947 | E | 22.9 | Very low | 27.1 | Very low | 162 Ų | 162 | 162.1 Ų | 162.1 | 76% | 0.757 | 84% | 0.835 | S | S | * | * | trans | 57.9 | 176.9 | 157.3 | -78.5 | 172.3 | 131.3 | 0 | 0 | 121.7 | ||||
| 948 | K | 32 | Very low | 26.9 | Very low | 210 Ų | 210 | 158.7 Ų | 158.7 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | trans | -106.3 | 136.7 | -161.4 | -56 | 171.8 | 178.9 | 176.5 | 0 | 112.2 | ||||
| 949 | A | 23.5 | Very low | 26.8 | Very low | 97 Ų | 97 | 158.7 Ų | 158.7 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -163.2 | 148.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 950 | A | 23.5 | Very low | 26.9 | Very low | 103 Ų | 103 | 155.6 Ų | 155.6 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | 47.1 | 136.2 | 154 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 951 | K | 30 | Very low | 27.2 | Very low | 187 Ų | 187 | 151 Ų | 151 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -69.5 | 143.4 | 164.5 | -67.5 | -176.1 | 175.9 | -173.1 | 0 | 111.2 | ||||
| 952 | K | 23.2 | Very low | 27.7 | Very low | 209 Ų | 209 | 148 Ų | 148 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -170.9 | 133.8 | 133.6 | -105.7 | 167.3 | -174.8 | -177.7 | 0 | 110.9 | ||||
| 953 | T | 25.2 | Very low | 28.6 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | trans | -138.7 | 147.1 | 168.8 | 23.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 954 | S | 22.9 | Very low | 30.7 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -150.9 | 179.8 | -176.1 | 67.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 955 | P | 36.5 | Very low | 32.9 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 74% | 0.74 | 72% | 0.72 | S | S | * | * | -135.1 | 152.4 | -92.5 | 36.6 | -18.7 | 0 | 0 | 0 | 115.5 | |||||
| 956 | Q | 25.2 | Very low | 35 | Very low | 190 Ų | 190 | 125.8 Ų | 125.8 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | trans | -168.3 | 136.1 | 153.2 | -107.4 | 171.2 | 12.4 | 0 | 0 | 108.3 | ||||
| 957 | S | 26.5 | Very low | 37.4 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | cis | -168 | 149.8 | -17.2 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 958 | G | 25.1 | Very low | 40.5 | Very low | 72 Ų | 72 | 120.5 Ų | 120.5 | 74% | 0.742 | 67% | 0.673 | S | S | * | * | trans | 118.6 | 15.1 | 156 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 959 | W | 24.5 | Very low | 42.9 | Very low | 182 Ų | 182 | 111.8 Ų | 111.8 | 69% | 0.689 | 64% | 0.644 | S | S | * | * | trans | -126.1 | 120.4 | 155.5 | -105 | 73.3 | 0 | 0 | 0 | 110.1 | V975 Q979 | W959-V975 HydrophobicContact CH2-CG1 4.24Å; W959-Q979 VanDerWaalsContact CH2-NE2 3.34Å; W959-Q979 VanDerWaalsContact CZ2-NE2 3.35Å | ||
| 960 | I | 30 | Very low | 45.9 | Very low | 170 Ų | 170 | 108.7 Ų | 108.7 | 87% | 0.872 | 62% | 0.615 | S | S | * | * | trans | -95.1 | 106.4 | -180 | -64.8 | 174.8 | 0 | 0 | 0 | 107.8 | ||||
| 961 | G | 36.2 | Very low | 48.8 | Very low | 66 Ų | 66 | 108.3 Ų | 108.3 | 68% | 0.68 | 60% | 0.595 | S | S | * | * | trans | 66.3 | 93.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 962 | C | 37 | Very low | 51.4 | Low | 60 Ų | 60 | 102.7 Ų | 102.7 | 41% | 0.405 | 57% | 0.572 | S | S | . | * | trans | -146.1 | 153.7 | 145.9 | -94.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 963 | P | 49.4 | Very low | 54.5 | Low | 62 Ų | 62 | 92.7 Ų | 92.7 | 40% | 0.403 | 53% | 0.529 | S | S | . | . | trans | -81.9 | -175.5 | -177.8 | -6.4 | 25.3 | 0 | 0 | 0 | 112.9 | V965 R967 W968 | P963-V965 PolarHBondContact O-N 3.02Å; P963-R967 HydrophobicContact CB-CB 4.08Å; P963-R967 HydrophobicContact CG-CB 4.35Å; P963-W968 PolarHBondContact O-NE1 3.04Å | ||
| 964 | V | 69.1 | Low | 57.3 | Low | 71 Ų | 71 | 85.7 Ų | 85.7 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | trans | -44.2 | 135.6 | 163.2 | 179 | 0 | 0 | 0 | 0 | 110.2 | E966 R967 | V964-E966 HydrophobicContact CG1-CB 4.39Å; V964-E966 HydrophobicContact CG1-CG 4.37Å; V964-E966 PolarHBondContact O-N 3.31Å; V964-E966 VanDerWaalsContact O-N 3.09Å; V964-R967 WeakPolarHBondContact O-CB 3.2Å; V964-R967 PolarHBondContact O-N 3.49Å | ||
| 965 | V | 73.1 | Confident | 60.2 | Low | 11 Ų | 11 | 83 Ų | 83 | 7% | 0.067 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -52.8 | -37.7 | -170.7 | -177.9 | 0 | 0 | 0 | 0 | 112.9 | P963 R967 W968 G996 L1000 L1028 | P963-V965 PolarHBondContact O-N 3.02Å; V965-R967 PolarHBondContact O-N 3.42Å; V965-W968 HydrophobicContact CG1-CD2 4.17Å; V965-W968 HydrophobicContact CG1-CE3 4.23Å; V965-W968 HydrophobicContact CG2-CH2 4.47Å; V965-W968 HydrophobicContact CG2-CZ2 4.01Å; V965-W968 WeakPolarHBondContact O-CB 3.49Å; V965-W968 PolarHBondContact O-N 3.02Å; V965-G996 VanDerWaalsContact O-CA 3.28Å; V965-G996 WeakPolarHBondContact O-CA 3.28Å; V965-L1000 HydrophobicContact CB-CD1 4.31Å; V965-L1000 HydrophobicContact CG1-CD1 4.02Å; V965-L1000 HydrophobicContact CG1-CD2 4.18Å; V965-L1000 HydrophobicContact CG1-CG 4.06Å; V965-L1028 HydrophobicContact CG1-CB 4.33Å; V965-L1028 HydrophobicContact CG1-CD1 4.12Å; V965-L1028 HydrophobicContact CG2-CB 4.33Å; V965-L1028 HydrophobicContact CG2-CD2 4.2Å |
| 966 | E | 73.8 | Confident | 62.8 | Low | 119 Ų | 119 | 78.3 Ų | 78.3 | 56% | 0.556 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -56.1 | -16.1 | 176.2 | -58.8 | 179.9 | 152.5 | 0 | 0 | 114.9 | V964 L1000 | V964-E966 HydrophobicContact CG1-CB 4.39Å; V964-E966 HydrophobicContact CG1-CG 4.37Å; V964-E966 PolarHBondContact O-N 3.31Å; V964-E966 VanDerWaalsContact O-N 3.09Å; E966-L1000 HydrophobicContact CG-CD1 4.1Å |
| 967 | R | 75.1 | Confident | 65.8 | Low | 192 Ų | 192 | 69.2 Ų | 69.2 | 73% | 0.725 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -101.5 | -1.9 | 178.3 | -56.7 | -175.3 | -179.2 | -175.2 | 0.2 | 114 | P963 V964 V965 G969 | P963-R967 HydrophobicContact CB-CB 4.08Å; P963-R967 HydrophobicContact CG-CB 4.35Å; V964-R967 WeakPolarHBondContact O-CB 3.2Å; V964-R967 PolarHBondContact O-N 3.49Å; V965-R967 PolarHBondContact O-N 3.42Å; R967-G969 PolarHBondContact O-N 3.48Å |
| 968 | W | 87.7 | Confident | 68.7 | Low | 37 Ų | 37 | 67.9 Ų | 67.9 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | trans | -66.5 | 129.2 | -174.5 | -71.1 | 5.6 | 0 | 0 | 0 | 111.7 | P963 V965 E972 V973 W976 R995 G996 L1028 | P963-W968 PolarHBondContact O-NE1 3.04Å; V965-W968 HydrophobicContact CG1-CD2 4.17Å; V965-W968 HydrophobicContact CG1-CE3 4.23Å; V965-W968 HydrophobicContact CG2-CH2 4.47Å; V965-W968 HydrophobicContact CG2-CZ2 4.01Å; V965-W968 WeakPolarHBondContact O-CB 3.49Å; V965-W968 PolarHBondContact O-N 3.02Å; W968-E972 WeakPolarHBondContact CA-OE2 3.22Å; W968-E972 HydrophobicContact CB-CB 4.11Å; W968-E972 HydrophobicContact CG-CB 4.31Å; W968-V973 HydrophobicContact CB-CG2 4.3Å; W968-V973 HydrophobicContact CE3-CG2 4.47Å; W968-W976 HydrophobicContact CZ3-CB 3.87Å; W968-W976 AromaticContact CZ3-CG 3.94Å; W968-W976 HydrophobicContact CZ3-CG 3.94Å; W968-R995 VanDerWaalsContact O-CB 3.28Å; W968-R995 WeakPolarHBondContact O-CB 3.49Å; W968-G996 PolarHBondContact O-N 3.41Å; W968-L1028 HydrophobicContact CH2-CD1 4.26Å; W968-L1028 HydrophobicContact CH2-CD2 3.63Å; W968-L1028 HydrophobicContact CZ2-CD2 4.42Å; W968-L1028 HydrophobicContact CZ3-CD1 3.87Å; W968-L1028 HydrophobicContact CZ3-CD2 4.11Å | ||
| 969 | G | 84.4 | Confident | 71.5 | Confident | 28 Ų | 28 | 69.6 Ų | 69.6 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | trans | -71.2 | 167.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.8 | R967 E971 E972 V973 | R967-G969 PolarHBondContact O-N 3.48Å; G969-E971 PolarHBondContact O-N 3.29Å; G969-E972 PolarHBondContact N-OE2 3.24Å; G969-E972 PolarHBondContact O-N 2.98Å; G969-E972 VanDerWaalsContact O-N 3.09Å; G969-V973 WeakPolarHBondContact O-CG2 3.48Å; G969-V973 PolarHBondContact O-N 2.81Å | ||
| 970 | T | 85.4 | Confident | 74.4 | Confident | 32 Ų | 32 | 62.8 Ų | 62.8 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.3 | -35.5 | 178.4 | 48 | 0 | 0 | 0 | 0 | 113.6 | G974 D993 R995 | T970-G974 PolarHBondContact O-N 3.39Å; T970-D993 WeakPolarHBondContact CG2-OD1 3.35Å; T970-R995 HydrophobicContact CG2-CG 3.91Å |
| 971 | E | 83.8 | Confident | 77.1 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 44% | 0.444 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.9 | -37.6 | 178 | -176.3 | 71.7 | 147.7 | 0 | 0 | 112.3 | G969 G974 V975 R986 I990 | G969-E971 PolarHBondContact O-N 3.29Å; E971-G974 CarbonylContact O-C 3.57Å; E971-G974 WeakPolarHBondContact O-CA 3.28Å; E971-G974 PolarHBondContact O-N 3.21Å; E971-G974 VanDerWaalsContact O-N 3.07Å; E971-V975 PolarHBondContact O-N 3.05Å; E971-R986 IonicContact OE1-CZ 2.7Å; E971-R986 IonicContact OE1-NH2 2.73Å; E971-R986 PolarHBondContact OE1-NH2 3.45Å; E971-R986 IonicContact OE2-CZ 3.51Å; E971-R986 IonicContact OE2-NE 2.72Å; E971-R986 PolarHBondContact OE2-NE 2.94Å; E971-R986 VanDerWaalsContact OE2-NE 3.12Å; E971-R986 IonicContact OE2-NH2 2.73Å; E971-R986 PolarHBondContact OE2-NH2 3.38Å; E971-I990 WeakPolarHBondContact OE2-CD1 3.45Å |
| 972 | E | 85.8 | Confident | 79.5 | Confident | 68 Ų | 68 | 56.3 Ų | 56.3 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70 | -37.1 | 177.3 | -64.7 | 165.9 | 152.3 | 0 | 0 | 110.5 | W968 G969 G974 V975 W976 | W968-E972 WeakPolarHBondContact CA-OE2 3.22Å; W968-E972 HydrophobicContact CB-CB 4.11Å; W968-E972 HydrophobicContact CG-CB 4.31Å; G969-E972 PolarHBondContact N-OE2 3.24Å; G969-E972 PolarHBondContact O-N 2.98Å; G969-E972 VanDerWaalsContact O-N 3.09Å; E972-G974 VanDerWaalsContact C-N 3.3Å; E972-G974 PolarHBondContact O-N 3.48Å; E972-V975 PolarHBondContact O-N 2.99Å; E972-W976 PolarHBondContact O-N 3.38Å |
| 973 | V | 87.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 166.8 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | W968 G969 W976 L977 F989 L999 | W968-V973 HydrophobicContact CB-CG2 4.3Å; W968-V973 HydrophobicContact CE3-CG2 4.47Å; G969-V973 WeakPolarHBondContact O-CG2 3.48Å; G969-V973 PolarHBondContact O-N 2.81Å; V973-W976 PolarHBondContact O-N 2.88Å; V973-L977 PolarHBondContact O-N 3.05Å; V973-F989 HydrophobicContact CG1-CD1 3.81Å; V973-L999 HydrophobicContact CG1-CD1 4.18Å; V973-L999 HydrophobicContact CG1-CD2 4.08Å; V973-L999 HydrophobicContact CG2-CD2 4.05Å |
| 974 | G | 83.6 | Confident | 83.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -49.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T970 E971 E972 W976 L977 E978 | T970-G974 PolarHBondContact O-N 3.39Å; E971-G974 CarbonylContact O-C 3.57Å; E971-G974 WeakPolarHBondContact O-CA 3.28Å; E971-G974 PolarHBondContact O-N 3.21Å; E971-G974 VanDerWaalsContact O-N 3.07Å; E972-G974 VanDerWaalsContact C-N 3.3Å; E972-G974 PolarHBondContact O-N 3.48Å; G974-W976 VanDerWaalsContact C-N 3.25Å; G974-W976 PolarHBondContact O-N 3.39Å; G974-L977 WeakPolarHBondContact O-CB 3.17Å; G974-L977 PolarHBondContact O-N 3.06Å; G974-L977 VanDerWaalsContact O-N 3.13Å; G974-E978 PolarHBondContact O-N 3.49Å; G974-E978 VanDerWaalsContact O-N 3.1Å |
| 975 | V | 85.4 | Confident | 84.3 | Confident | 57 Ų | 57 | 54.5 Ų | 54.5 | 35% | 0.345 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -33.4 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | W959 E971 E972 E978 Q979 | W959-V975 HydrophobicContact CH2-CG1 4.24Å; E971-V975 PolarHBondContact O-N 3.05Å; E972-V975 PolarHBondContact O-N 2.99Å; V975-E978 PolarHBondContact O-N 3.05Å; V975-Q979 WeakPolarHBondContact O-CG 3.46Å; V975-Q979 PolarHBondContact O-N 3.11Å; V975-Q979 PolarHBondContact O-NE2 3.34Å |
| 976 | W | 91.4 | Very high | 85 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 173.2 | 171.7 | 85.4 | 0 | 0 | 0 | 113.2 | W968 E972 V973 G974 E978 Q979 L980 L999 I1021 T1025 L1028 | W968-W976 HydrophobicContact CZ3-CB 3.87Å; W968-W976 AromaticContact CZ3-CG 3.94Å; W968-W976 HydrophobicContact CZ3-CG 3.94Å; E972-W976 PolarHBondContact O-N 3.38Å; V973-W976 PolarHBondContact O-N 2.88Å; G974-W976 VanDerWaalsContact C-N 3.25Å; G974-W976 PolarHBondContact O-N 3.39Å; W976-E978 VanDerWaalsContact C-N 3.31Å; W976-E978 PolarHBondContact O-N 3.41Å; W976-Q979 PolarHBondContact O-N 2.99Å; W976-L980 HydrophobicContact CD2-CD1 4.34Å; W976-L980 HydrophobicContact CE3-CD1 4.37Å; W976-L980 HydrophobicContact CH2-CD1 3.53Å; W976-L980 HydrophobicContact CZ2-CD1 3.48Å; W976-L980 VanDerWaalsContact CZ2-CD1 3.48Å; W976-L980 HydrophobicContact CZ2-CG 4.37Å; W976-L980 HydrophobicContact CZ3-CD1 3.98Å; W976-L980 PolarHBondContact O-N 3.45Å; W976-L999 HydrophobicContact CD2-CD2 4.33Å; W976-L999 HydrophobicContact CE3-CD1 4.25Å; W976-L999 HydrophobicContact CE3-CD2 4.02Å; W976-L999 HydrophobicContact CH2-CD1 3.95Å; W976-L999 HydrophobicContact CH2-CD2 4.39Å; W976-L999 HydrophobicContact CZ3-CD1 3.59Å; W976-L999 HydrophobicContact CZ3-CD2 4.08Å; W976-L999 HydrophobicContact CZ3-CG 4.39Å; W976-I1021 HydrophobicContact CH2-CG2 4.16Å; W976-I1021 HydrophobicContact CZ3-CG2 4.45Å; W976-T1025 HydrophobicContact CH2-CG2 3.72Å; W976-T1025 HydrophobicContact CZ2-CG2 4.23Å; W976-L1028 HydrophobicContact CD2-CD1 4.23Å; W976-L1028 HydrophobicContact CG-CD1 4.46Å; W976-L1028 HydrophobicContact CZ2-CD1 3.9Å; W976-L1028 HydrophobicContact CZ2-CG 4.49Å |
| 977 | L | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 172.8 | -77.7 | 172.5 | 0 | 0 | 0 | 112.4 | V973 G974 L980 L982 G983 F989 I1021 | V973-L977 PolarHBondContact O-N 3.05Å; G974-L977 WeakPolarHBondContact O-CB 3.17Å; G974-L977 PolarHBondContact O-N 3.06Å; G974-L977 VanDerWaalsContact O-N 3.13Å; L977-L980 PolarHBondContact O-N 2.95Å; L977-L982 HydrophobicContact CD2-CB 4.33Å; L977-L982 CarbonylContact O-C 3.58Å; L977-L982 WeakPolarHBondContact O-CA 3.18Å; L977-L982 WeakPolarHBondContact O-CB 3.35Å; L977-L982 PolarHBondContact O-N 3.41Å; L977-G983 PolarHBondContact O-N 3Å; L977-F989 HydrophobicContact CD1-CB 3.91Å; L977-F989 HydrophobicContact CD1-CD1 3.79Å; L977-F989 HydrophobicContact CD1-CD2 3.86Å; L977-F989 HydrophobicContact CD1-CE1 4.28Å; L977-F989 HydrophobicContact CD1-CE2 4.37Å; L977-F989 HydrophobicContact CD1-CG 3.56Å; L977-I1021 HydrophobicContact CD2-CD1 4.22Å; L977-I1021 HydrophobicContact CD2-CG1 4.08Å |
| 978 | E | 86.7 | Confident | 86.2 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 174.3 | -72.2 | 175.3 | -171.8 | 0 | 0 | 111.6 | G974 V975 W976 L980 S981 R986 | G974-E978 PolarHBondContact O-N 3.49Å; G974-E978 VanDerWaalsContact O-N 3.1Å; V975-E978 PolarHBondContact O-N 3.05Å; W976-E978 VanDerWaalsContact C-N 3.31Å; W976-E978 PolarHBondContact O-N 3.41Å; E978-L980 VanDerWaalsContact C-N 3.32Å; E978-L980 PolarHBondContact O-N 2.75Å; E978-S981 WeakPolarHBondContact O-CA 3.25Å; E978-S981 PolarHBondContact O-N 2.92Å; E978-R986 WeakPolarHBondContact OE1-CD 3.47Å; E978-R986 IonicContact OE1-CZ 2.71Å; E978-R986 IonicContact OE1-NE 2.74Å; E978-R986 IonicContact OE1-NH1 2.76Å; E978-R986 PolarHBondContact OE1-NH1 3.36Å |
| 979 | Q | 84.5 | Confident | 86.3 | Confident | 107 Ų | 107 | 47.5 Ų | 47.5 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 175.5 | -67.8 | 167.7 | 49.9 | 0 | 0 | 113.2 | W959 V975 W976 S981 | W959-Q979 VanDerWaalsContact CH2-NE2 3.34Å; W959-Q979 VanDerWaalsContact CZ2-NE2 3.35Å; V975-Q979 WeakPolarHBondContact O-CG 3.46Å; V975-Q979 PolarHBondContact O-N 3.11Å; V975-Q979 PolarHBondContact O-NE2 3.34Å; W976-Q979 PolarHBondContact O-N 2.99Å; Q979-S981 PolarHBondContact O-N 3.23Å; Q979-S981 VanDerWaalsContact O-N 3.1Å |
| 980 | L | 85.3 | Confident | 86.4 | Confident | 40 Ų | 40 | 49 Ų | 49 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 2.6 | 173.5 | -68.6 | -174.4 | 0 | 0 | 0 | 113.8 | W976 L977 E978 L982 R1020 | W976-L980 HydrophobicContact CD2-CD1 4.34Å; W976-L980 HydrophobicContact CE3-CD1 4.37Å; W976-L980 HydrophobicContact CH2-CD1 3.53Å; W976-L980 HydrophobicContact CZ2-CD1 3.48Å; W976-L980 VanDerWaalsContact CZ2-CD1 3.48Å; W976-L980 HydrophobicContact CZ2-CG 4.37Å; W976-L980 HydrophobicContact CZ3-CD1 3.98Å; W976-L980 PolarHBondContact O-N 3.45Å; L977-L980 PolarHBondContact O-N 2.95Å; E978-L980 VanDerWaalsContact C-N 3.32Å; E978-L980 PolarHBondContact O-N 2.75Å; L980-L982 VanDerWaalsContact C-N 3.34Å; L980-L982 HydrophobicContact CB-CB 4.38Å; L980-L982 HydrophobicContact CB-CD1 4.1Å; L980-L982 HydrophobicContact CB-CG 4.23Å; L980-R1020 PolarHBondContact O-NH1 3.44Å |
| 981 | S | 85.4 | Confident | 86.5 | Confident | 98 Ų | 98 | 56.9 Ų | 56.9 | 69% | 0.685 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 47.1 | -169.6 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | E978 Q979 R1020 | E978-S981 WeakPolarHBondContact O-CA 3.25Å; E978-S981 PolarHBondContact O-N 2.92Å; Q979-S981 PolarHBondContact O-N 3.23Å; Q979-S981 VanDerWaalsContact O-N 3.1Å; S981-R1020 PolarHBondContact O-NH1 2.87Å |
| 982 | L | 87.7 | Confident | 86.6 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | trans | -136.9 | 22.3 | -176.6 | -68.1 | 179.8 | 0 | 0 | 0 | 113.1 | L977 L980 E984 Y985 H1017 R1020 I1021 | L977-L982 HydrophobicContact CD2-CB 4.33Å; L977-L982 CarbonylContact O-C 3.58Å; L977-L982 WeakPolarHBondContact O-CA 3.18Å; L977-L982 WeakPolarHBondContact O-CB 3.35Å; L977-L982 PolarHBondContact O-N 3.41Å; L980-L982 VanDerWaalsContact C-N 3.34Å; L980-L982 HydrophobicContact CB-CB 4.38Å; L980-L982 HydrophobicContact CB-CD1 4.1Å; L980-L982 HydrophobicContact CB-CG 4.23Å; L982-E984 PolarHBondContact O-N 3.34Å; L982-Y985 HydrophobicContact CB-CD2 4.33Å; L982-Y985 HydrophobicContact CD2-CD2 4.42Å; L982-Y985 HydrophobicContact CD2-CE2 4.19Å; L982-Y985 PolarHBondContact O-N 3.27Å; L982-H1017 HydrophobicContact CD2-CB 3.68Å; L982-H1017 VanDerWaalsContact CD2-CG 3.43Å; L982-H1017 VanDerWaalsContact CD2-ND1 3.3Å; L982-H1017 WeakPolarHBondContact CD2-ND1 3.29Å; L982-R1020 HydrophobicContact CD1-CB 3.86Å; L982-I1021 HydrophobicContact CD1-CD1 4.07Å; L982-I1021 HydrophobicContact CD1-CG1 3.54Å | ||
| 983 | G | 82.5 | Confident | 86.7 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 31% | 0.309 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -54.9 | -19.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | L977 Y985 R986 | L977-G983 PolarHBondContact O-N 3Å; G983-Y985 PolarHBondContact O-N 3.09Å; G983-R986 WeakPolarHBondContact O-CB 3.3Å; G983-R986 PolarHBondContact O-N 3.28Å |
| 984 | E | 84.8 | Confident | 86.7 | Confident | 104 Ų | 104 | 58.3 Ų | 58.3 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -56.9 | -12.6 | 170.9 | 67.3 | 171.2 | 175.7 | 0 | 0 | 114.3 | L982 K1014 H1017 | L982-E984 PolarHBondContact O-N 3.34Å; E984-K1014 IonicContact OE1-NZ 3.71Å; E984-K1014 PolarHBondContact OE1-NZ 3.02Å; E984-K1014 IonicContact OE2-NZ 3.19Å; E984-K1014 PolarHBondContact OE2-NZ 2.77Å; E984-H1017 IonicContact OE1-CE1 2.91Å; E984-H1017 PolarHBondContact OE1-CE1 2.76Å; E984-H1017 IonicContact OE1-ND1 3.78Å; E984-H1017 PolarHBondContact OE1-ND1 3.1Å |
| 985 | Y | 89.4 | Confident | 86.9 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -112.4 | 3.5 | 177 | -55.6 | -57.8 | 0 | 0 | 0 | 114.7 | L982 G983 T988 F989 I1012 K1014 H1017 | L982-Y985 HydrophobicContact CB-CD2 4.33Å; L982-Y985 HydrophobicContact CD2-CD2 4.42Å; L982-Y985 HydrophobicContact CD2-CE2 4.19Å; L982-Y985 PolarHBondContact O-N 3.27Å; G983-Y985 PolarHBondContact O-N 3.09Å; Y985-T988 WeakPolarHBondContact O-CA 3.33Å; Y985-T988 VanDerWaalsContact O-CB 3.29Å; Y985-T988 WeakPolarHBondContact O-CB 3.13Å; Y985-T988 PolarHBondContact O-N 3.35Å; Y985-T988 VanDerWaalsContact O-N 3.1Å; Y985-F989 PolarHBondContact O-N 2.98Å; Y985-I1012 HydrophobicContact CD1-CD1 3.89Å; Y985-I1012 HydrophobicContact CD1-CG1 3.81Å; Y985-I1012 HydrophobicContact CD2-CD1 3.64Å; Y985-I1012 HydrophobicContact CD2-CG1 4.25Å; Y985-I1012 HydrophobicContact CE1-CD1 4.25Å; Y985-I1012 HydrophobicContact CE1-CG1 3.82Å; Y985-I1012 HydrophobicContact CE1-CG2 4.43Å; Y985-I1012 HydrophobicContact CE2-CD1 4.01Å; Y985-I1012 HydrophobicContact CE2-CG1 4.24Å; Y985-I1012 HydrophobicContact CE2-CG2 3.85Å; Y985-I1012 HydrophobicContact CG-CD1 3.57Å; Y985-I1012 HydrophobicContact CG-CG1 4.04Å; Y985-K1014 WeakPolarHBondContact OH-CD 3.35Å; Y985-H1017 HydrophobicContact CE2-CB 3.97Å; Y985-H1017 AromaticContact CE2-ND1 3.54Å; Y985-H1017 AromaticContact CZ-ND1 3.97Å |
| 986 | R | 87.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.2 | -53 | -179.8 | 171 | 168.6 | 168.2 | -147 | -9.1 | 111.5 | E971 E978 G983 T988 F989 I990 | E971-R986 IonicContact OE1-CZ 2.7Å; E971-R986 IonicContact OE1-NH2 2.73Å; E971-R986 PolarHBondContact OE1-NH2 3.45Å; E971-R986 IonicContact OE2-CZ 3.51Å; E971-R986 IonicContact OE2-NE 2.72Å; E971-R986 PolarHBondContact OE2-NE 2.94Å; E971-R986 VanDerWaalsContact OE2-NE 3.12Å; E971-R986 IonicContact OE2-NH2 2.73Å; E971-R986 PolarHBondContact OE2-NH2 3.38Å; E978-R986 WeakPolarHBondContact OE1-CD 3.47Å; E978-R986 IonicContact OE1-CZ 2.71Å; E978-R986 IonicContact OE1-NE 2.74Å; E978-R986 IonicContact OE1-NH1 2.76Å; E978-R986 PolarHBondContact OE1-NH1 3.36Å; G983-R986 WeakPolarHBondContact O-CB 3.3Å; G983-R986 PolarHBondContact O-N 3.28Å; R986-T988 PolarHBondContact O-N 3.11Å; R986-F989 PolarHBondContact O-N 3.49Å; R986-F989 VanDerWaalsContact O-N 3.1Å; R986-I990 HydrophobicContact CG-CD1 3.6Å; R986-I990 HydrophobicContact CG-CG1 4.42Å; R986-I990 WeakPolarHBondContact O-CG1 3.44Å; R986-I990 PolarHBondContact O-N 3.22Å |
| 987 | D | 85.4 | Confident | 86.5 | Confident | 113 Ų | 113 | 62.3 Ų | 62.3 | 60% | 0.604 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.5 | -29.5 | 175.8 | -64.3 | -27.5 | 0 | 0 | 0 | 112.7 | R991 | D987-R991 WeakPolarHBondContact O-CB 3.33Å; D987-R991 PolarHBondContact O-N 3.13Å; D987-R991 VanDerWaalsContact O-N 3.09Å |
| 988 | T | 88.4 | Confident | 86.3 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.4 | -45.2 | 176.2 | -44.3 | 0 | 0 | 0 | 0 | 111 | Y985 R986 R991 H992 L1010 | Y985-T988 WeakPolarHBondContact O-CA 3.33Å; Y985-T988 VanDerWaalsContact O-CB 3.29Å; Y985-T988 WeakPolarHBondContact O-CB 3.13Å; Y985-T988 PolarHBondContact O-N 3.35Å; Y985-T988 VanDerWaalsContact O-N 3.1Å; R986-T988 PolarHBondContact O-N 3.11Å; T988-R991 PolarHBondContact O-N 3.15Å; T988-H992 PolarHBondContact O-N 2.96Å; T988-H992 PolarHBondContact O-ND1 3.08Å; T988-L1010 WeakPolarHBondContact CG2-O 3.32Å |
| 989 | F | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.2 | -40.4 | 179.8 | -88.2 | -127.8 | 0 | 0 | 0 | 111.9 | V973 L977 Y985 R986 R991 H992 D993 I994 L999 L1002 L1007 L1010 I1012 I1021 | V973-F989 HydrophobicContact CG1-CD1 3.81Å; L977-F989 HydrophobicContact CD1-CB 3.91Å; L977-F989 HydrophobicContact CD1-CD1 3.79Å; L977-F989 HydrophobicContact CD1-CD2 3.86Å; L977-F989 HydrophobicContact CD1-CE1 4.28Å; L977-F989 HydrophobicContact CD1-CE2 4.37Å; L977-F989 HydrophobicContact CD1-CG 3.56Å; Y985-F989 PolarHBondContact O-N 2.98Å; R986-F989 PolarHBondContact O-N 3.49Å; R986-F989 VanDerWaalsContact O-N 3.1Å; F989-R991 PolarHBondContact O-N 3.03Å; F989-H992 PolarHBondContact O-N 2.79Å; F989-D993 PolarHBondContact O-N 2.88Å; F989-I994 HydrophobicContact CB-CB 4.36Å; F989-I994 HydrophobicContact CB-CD1 4.36Å; F989-I994 HydrophobicContact CD1-CB 3.91Å; F989-I994 HydrophobicContact CD1-CD1 3.73Å; F989-I994 HydrophobicContact CD1-CG1 4.4Å; F989-I994 HydrophobicContact CD1-CG2 3.73Å; F989-I994 HydrophobicContact CD2-CD1 4.13Å; F989-I994 HydrophobicContact CE1-CD1 3.96Å; F989-I994 HydrophobicContact CE1-CG2 4.04Å; F989-I994 HydrophobicContact CE2-CD1 4.31Å; F989-I994 HydrophobicContact CG-CB 4.37Å; F989-I994 HydrophobicContact CG-CD1 3.82Å; F989-I994 HydrophobicContact CZ-CD1 4.24Å; F989-I994 PolarHBondContact O-N 3.29Å; F989-I994 VanDerWaalsContact O-N 3.12Å; F989-L999 HydrophobicContact CE1-CD1 4.04Å; F989-L1002 HydrophobicContact CE1-CD1 3.63Å; F989-L1002 HydrophobicContact CZ-CD1 3.86Å; F989-L1007 HydrophobicContact CE2-CD2 4.42Å; F989-L1007 HydrophobicContact CZ-CD2 3.8Å; F989-L1010 HydrophobicContact CE2-CD1 4.12Å; F989-L1010 HydrophobicContact CZ-CD1 4.3Å; F989-I1012 HydrophobicContact CE2-CD1 3.79Å; F989-I1012 HydrophobicContact CZ-CD1 4.48Å; F989-I1021 HydrophobicContact CZ-CD1 4.43Å |
| 990 | I | 87.1 | Confident | 86.4 | Confident | 59 Ų | 59 | 58.9 Ų | 58.9 | 30% | 0.303 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 174.8 | -65.5 | 168.6 | 0 | 0 | 0 | 110.9 | E971 R986 H992 D993 | E971-I990 WeakPolarHBondContact OE2-CD1 3.45Å; R986-I990 HydrophobicContact CG-CD1 3.6Å; R986-I990 HydrophobicContact CG-CG1 4.42Å; R986-I990 WeakPolarHBondContact O-CG1 3.44Å; R986-I990 PolarHBondContact O-N 3.22Å; I990-H992 VanDerWaalsContact C-N 3.26Å; I990-H992 PolarHBondContact O-N 3.17Å; I990-D993 PolarHBondContact O-N 2.76Å; I990-D993 VanDerWaalsContact O-N 3.14Å |
| 991 | R | 86.8 | Confident | 86.2 | Confident | 198 Ų | 198 | 64.2 Ų | 64.2 | 75% | 0.747 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66 | -23.8 | 180 | -171 | -178.4 | -52.9 | 170.4 | 6.5 | 114.2 | D987 T988 F989 | D987-R991 WeakPolarHBondContact O-CB 3.33Å; D987-R991 PolarHBondContact O-N 3.13Å; D987-R991 VanDerWaalsContact O-N 3.09Å; T988-R991 PolarHBondContact O-N 3.15Å; F989-R991 PolarHBondContact O-N 3.03Å |
| 992 | H | 86.9 | Confident | 86.2 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 14.4 | 176.7 | -62.3 | 90 | 0 | 0 | 0 | 112.8 | T988 F989 I990 I994 L1010 | T988-H992 PolarHBondContact O-N 2.96Å; T988-H992 PolarHBondContact O-ND1 3.08Å; F989-H992 PolarHBondContact O-N 2.79Å; I990-H992 VanDerWaalsContact C-N 3.26Å; I990-H992 PolarHBondContact O-N 3.17Å; H992-I994 VanDerWaalsContact C-N 3.26Å; H992-I994 HydrophobicContact CB-CD1 4.31Å; H992-I994 HydrophobicContact CB-CG1 4.13Å; H992-I994 PolarHBondContact O-N 3.06Å; H992-L1010 HydrophobicContact CB-CD2 3.71Å; H992-L1010 VanDerWaalsContact CG-CD2 3.41Å |
| 993 | D | 86.6 | Confident | 86 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.9 | 179 | -160 | 15.4 | 0 | 0 | 0 | 114.5 | T970 F989 I990 R995 | T970-D993 WeakPolarHBondContact CG2-OD1 3.35Å; F989-D993 PolarHBondContact O-N 2.88Å; I990-D993 PolarHBondContact O-N 2.76Å; I990-D993 VanDerWaalsContact O-N 3.14Å; D993-R995 VanDerWaalsContact CG-NH2 3.32Å; D993-R995 PolarHBondContact O-N 3.35Å; D993-R995 IonicContact OD1-CZ 2.67Å; D993-R995 IonicContact OD1-NE 2.68Å; D993-R995 PolarHBondContact OD1-NE 3.37Å; D993-R995 IonicContact OD1-NH2 2.98Å; D993-R995 PolarHBondContact OD1-NH2 3.5Å; D993-R995 VanDerWaalsContact OD1-NH2 3.12Å; D993-R995 IonicContact OD2-CZ 3.07Å; D993-R995 IonicContact OD2-NE 3.2Å; D993-R995 IonicContact OD2-NH2 2.94Å; D993-R995 PolarHBondContact OD2-NH2 3.29Å |
| 994 | I | 86.9 | Confident | 86.2 | Confident | 11 Ų | 11 | 69.7 Ų | 69.7 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | trans | -78.1 | 107.6 | -179.8 | -57 | 178.5 | 0 | 0 | 0 | 109.2 | F989 H992 E998 L999 L1002 L1010 | F989-I994 HydrophobicContact CB-CB 4.36Å; F989-I994 HydrophobicContact CB-CD1 4.36Å; F989-I994 HydrophobicContact CD1-CB 3.91Å; F989-I994 HydrophobicContact CD1-CD1 3.73Å; F989-I994 HydrophobicContact CD1-CG1 4.4Å; F989-I994 HydrophobicContact CD1-CG2 3.73Å; F989-I994 HydrophobicContact CD2-CD1 4.13Å; F989-I994 HydrophobicContact CE1-CD1 3.96Å; F989-I994 HydrophobicContact CE1-CG2 4.04Å; F989-I994 HydrophobicContact CE2-CD1 4.31Å; F989-I994 HydrophobicContact CG-CB 4.37Å; F989-I994 HydrophobicContact CG-CD1 3.82Å; F989-I994 HydrophobicContact CZ-CD1 4.24Å; F989-I994 PolarHBondContact O-N 3.29Å; F989-I994 VanDerWaalsContact O-N 3.12Å; H992-I994 VanDerWaalsContact C-N 3.26Å; H992-I994 HydrophobicContact CB-CD1 4.31Å; H992-I994 HydrophobicContact CB-CG1 4.13Å; H992-I994 PolarHBondContact O-N 3.06Å; I994-E998 HydrophobicContact CG2-CB 4.46Å; I994-L999 HydrophobicContact CG2-CB 4.42Å; I994-L1002 HydrophobicContact CG2-CD1 4.21Å; I994-L1010 HydrophobicContact CD1-CD1 3.41Å; I994-L1010 VanDerWaalsContact CD1-CD1 3.41Å; I994-L1010 HydrophobicContact CD1-CD2 3.82Å; I994-L1010 HydrophobicContact CD1-CG 4.27Å | ||
| 995 | R | 88.9 | Confident | 86.1 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 44% | 0.438 | 32% | 0.324 | S | S | . | . | trans | -101.2 | 177 | 176.9 | -57.9 | 172.2 | -166.3 | -173.9 | 8.5 | 109.4 | W968 T970 D993 S997 E998 L999 | W968-R995 VanDerWaalsContact O-CB 3.28Å; W968-R995 WeakPolarHBondContact O-CB 3.49Å; T970-R995 HydrophobicContact CG2-CG 3.91Å; D993-R995 VanDerWaalsContact CG-NH2 3.32Å; D993-R995 PolarHBondContact O-N 3.35Å; D993-R995 IonicContact OD1-CZ 2.67Å; D993-R995 IonicContact OD1-NE 2.68Å; D993-R995 PolarHBondContact OD1-NE 3.37Å; D993-R995 IonicContact OD1-NH2 2.98Å; D993-R995 PolarHBondContact OD1-NH2 3.5Å; D993-R995 VanDerWaalsContact OD1-NH2 3.12Å; D993-R995 IonicContact OD2-CZ 3.07Å; D993-R995 IonicContact OD2-NE 3.2Å; D993-R995 IonicContact OD2-NH2 2.94Å; D993-R995 PolarHBondContact OD2-NH2 3.29Å; R995-S997 PolarHBondContact O-N 3.49Å; R995-E998 WeakPolarHBondContact CA-OE2 3.45Å; R995-E998 WeakPolarHBondContact CB-OE2 3.41Å; R995-E998 PolarHBondContact N-OE2 3.05Å; R995-E998 PolarHBondContact O-N 2.94Å; R995-L999 VanDerWaalsContact O-CB 3.28Å; R995-L999 WeakPolarHBondContact O-CB 3.27Å; R995-L999 PolarHBondContact O-N 3.09Å | ||
| 996 | G | 84.9 | Confident | 86 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -27.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V965 W968 L1000 | V965-G996 VanDerWaalsContact O-CA 3.28Å; V965-G996 WeakPolarHBondContact O-CA 3.28Å; W968-G996 PolarHBondContact O-N 3.41Å; G996-L1000 WeakPolarHBondContact O-CG 3.46Å; G996-L1000 PolarHBondContact O-N 2.92Å |
| 997 | S | 82.5 | Confident | 86 | Confident | 41 Ų | 41 | 71.1 Ų | 71.1 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 172.7 | 36.9 | 0 | 0 | 0 | 0 | 112.7 | R995 H1001 | R995-S997 PolarHBondContact O-N 3.49Å; S997-H1001 PolarHBondContact O-ND1 3.1Å |
| 998 | E | 84.4 | Confident | 85.9 | Confident | 86 Ų | 86 | 72 Ų | 72 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -79.9 | -35.1 | 179.8 | -57 | 67.7 | -128.3 | 0 | 0 | 110.6 | I994 R995 L1000 H1001 L1002 | I994-E998 HydrophobicContact CG2-CB 4.46Å; R995-E998 WeakPolarHBondContact CA-OE2 3.45Å; R995-E998 WeakPolarHBondContact CB-OE2 3.41Å; R995-E998 PolarHBondContact N-OE2 3.05Å; R995-E998 PolarHBondContact O-N 2.94Å; E998-L1000 PolarHBondContact O-N 2.69Å; E998-H1001 CarbonylContact O-C 3.53Å; E998-H1001 WeakPolarHBondContact O-CA 3.49Å; E998-H1001 PolarHBondContact O-N 3.12Å; E998-L1002 PolarHBondContact O-N 3.07Å |
| 999 | L | 86.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -52.8 | -41.3 | 176.5 | -179.6 | 67.5 | 0 | 0 | 0 | 112.6 | V973 W976 F989 I994 R995 H1001 L1002 T1025 L1028 | V973-L999 HydrophobicContact CG1-CD1 4.18Å; V973-L999 HydrophobicContact CG1-CD2 4.08Å; V973-L999 HydrophobicContact CG2-CD2 4.05Å; W976-L999 HydrophobicContact CD2-CD2 4.33Å; W976-L999 HydrophobicContact CE3-CD1 4.25Å; W976-L999 HydrophobicContact CE3-CD2 4.02Å; W976-L999 HydrophobicContact CH2-CD1 3.95Å; W976-L999 HydrophobicContact CH2-CD2 4.39Å; W976-L999 HydrophobicContact CZ3-CD1 3.59Å; W976-L999 HydrophobicContact CZ3-CD2 4.08Å; W976-L999 HydrophobicContact CZ3-CG 4.39Å; F989-L999 HydrophobicContact CE1-CD1 4.04Å; I994-L999 HydrophobicContact CG2-CB 4.42Å; R995-L999 VanDerWaalsContact O-CB 3.28Å; R995-L999 WeakPolarHBondContact O-CB 3.27Å; R995-L999 PolarHBondContact O-N 3.09Å; L999-H1001 PolarHBondContact O-N 3.22Å; L999-L1002 HydrophobicContact CD1-CD1 4.05Å; L999-T1025 HydrophobicContact CD1-CG2 3.74Å; L999-T1025 HydrophobicContact CG-CG2 3.92Å; L999-T1025 VanDerWaalsContact O-CG2 3.25Å; L999-T1025 WeakPolarHBondContact O-CG2 3.44Å; L999-L1028 HydrophobicContact CD2-CD1 3.69Å |
| 1000 | L | 85.5 | Confident | 85.4 | Confident | 36 Ų | 36 | 77.7 Ų | 77.7 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.5 | 177.6 | -71.8 | 168.9 | 0 | 0 | 0 | 113.4 | V965 E966 G996 E998 L1028 A1029 | V965-L1000 HydrophobicContact CB-CD1 4.31Å; V965-L1000 HydrophobicContact CG1-CD1 4.02Å; V965-L1000 HydrophobicContact CG1-CD2 4.18Å; V965-L1000 HydrophobicContact CG1-CG 4.06Å; E966-L1000 HydrophobicContact CG-CD1 4.1Å; G996-L1000 WeakPolarHBondContact O-CG 3.46Å; G996-L1000 PolarHBondContact O-N 2.92Å; E998-L1000 PolarHBondContact O-N 2.69Å; L1000-L1028 HydrophobicContact CD2-CB 4.04Å; L1000-A1029 HydrophobicContact CD2-CB 3.84Å |
| 1001 | H | 82.4 | Confident | 85.1 | Confident | 152 Ų | 152 | 77.3 Ų | 77.3 | 70% | 0.704 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -9.1 | -176.3 | -65.6 | 94 | 0 | 0 | 0 | 114.1 | S997 E998 L999 E1003 | S997-H1001 PolarHBondContact O-ND1 3.1Å; E998-H1001 CarbonylContact O-C 3.53Å; E998-H1001 WeakPolarHBondContact O-CA 3.49Å; E998-H1001 PolarHBondContact O-N 3.12Å; L999-H1001 PolarHBondContact O-N 3.22Å; H1001-E1003 PolarHBondContact O-N 2.79Å |
| 1002 | L | 84.7 | Confident | 85.1 | Confident | 21 Ų | 21 | 67.9 Ų | 67.9 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | trans | -54.5 | 120 | -178 | -76.2 | 178.8 | 0 | 0 | 0 | 113.2 | F989 I994 E998 L999 D1006 L1007 L1010 L1022 | F989-L1002 HydrophobicContact CE1-CD1 3.63Å; F989-L1002 HydrophobicContact CZ-CD1 3.86Å; I994-L1002 HydrophobicContact CG2-CD1 4.21Å; E998-L1002 PolarHBondContact O-N 3.07Å; L999-L1002 HydrophobicContact CD1-CD1 4.05Å; L1002-D1006 HydrophobicContact CD2-CB 3.95Å; L1002-L1007 HydrophobicContact CD1-CD2 4.03Å; L1002-L1010 HydrophobicContact CD2-CD1 4.39Å; L1002-L1022 VanDerWaalsContact O-CD2 3.23Å; L1002-L1022 WeakPolarHBondContact O-CD2 3.38Å | ||
| 1003 | E | 84.9 | Confident | 84.8 | Confident | 92 Ų | 92 | 67.6 Ų | 67.6 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | trans | -86.9 | 171.9 | 170.8 | -84.5 | -155.4 | -176.9 | 0 | 0 | 113 | H1001 R1005 D1006 L1007 | H1001-E1003 PolarHBondContact O-N 2.79Å; E1003-R1005 VanDerWaalsContact CD-NH2 3.34Å; E1003-R1005 PolarHBondContact O-N 3.21Å; E1003-R1005 IonicContact OE1-NH2 3.24Å; E1003-R1005 PolarHBondContact OE1-NH2 2.9Å; E1003-R1005 IonicContact OE2-CZ 2.89Å; E1003-R1005 IonicContact OE2-NE 2.64Å; E1003-R1005 PolarHBondContact OE2-NE 3.32Å; E1003-R1005 IonicContact OE2-NH2 3.86Å; E1003-R1005 PolarHBondContact OE2-NH2 3.46Å; E1003-D1006 WeakPolarHBondContact CB-OD2 3.33Å; E1003-D1006 PolarHBondContact N-OD2 2.91Å; E1003-L1007 WeakPolarHBondContact O-CG 3.41Å; E1003-L1007 PolarHBondContact O-N 3.36Å | ||
| 1004 | R | 85.1 | Confident | 84.9 | Confident | 132 Ų | 132 | 68.2 Ų | 68.2 | 50% | 0.498 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.2 | 173.3 | -157.6 | 179.1 | -166.1 | 176.2 | 3.2 | 114.2 | M1018 L1022 | R1004-M1018 HydrophobicContact CG-CE 3.73Å; R1004-M1018 VanDerWaalsContact O-CE 3.25Å; R1004-M1018 WeakPolarHBondContact O-CE 3.46Å; R1004-L1022 HydrophobicContact CB-CD1 3.9Å; R1004-L1022 HydrophobicContact CG-CD1 3.91Å |
| 1005 | R | 84.1 | Confident | 84.6 | Confident | 160 Ų | 160 | 71.6 Ų | 71.6 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -61.2 | 175.4 | -73.9 | 179.3 | -84.8 | -172.8 | -1.4 | 108.9 | E1003 L1007 K1008 D1009 | E1003-R1005 VanDerWaalsContact CD-NH2 3.34Å; E1003-R1005 PolarHBondContact O-N 3.21Å; E1003-R1005 IonicContact OE1-NH2 3.24Å; E1003-R1005 PolarHBondContact OE1-NH2 2.9Å; E1003-R1005 IonicContact OE2-CZ 2.89Å; E1003-R1005 IonicContact OE2-NE 2.64Å; E1003-R1005 PolarHBondContact OE2-NE 3.32Å; E1003-R1005 IonicContact OE2-NH2 3.86Å; E1003-R1005 PolarHBondContact OE2-NH2 3.46Å; R1005-L1007 PolarHBondContact O-N 3.01Å; R1005-L1007 VanDerWaalsContact O-N 3.12Å; R1005-K1008 WeakPolarHBondContact O-CA 3.45Å; R1005-K1008 VanDerWaalsContact O-CB 3.28Å; R1005-K1008 WeakPolarHBondContact O-CB 3.48Å; R1005-K1008 PolarHBondContact O-N 3.3Å; R1005-D1009 PolarHBondContact O-N 3.4Å |
| 1006 | D | 85.9 | Confident | 84.3 | Confident | 60 Ų | 60 | 68.1 Ų | 68.1 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -49.3 | -43.1 | 178.7 | -26.4 | -30.1 | 0 | 0 | 0 | 112.1 | L1002 E1003 K1008 D1009 L1010 | L1002-D1006 HydrophobicContact CD2-CB 3.95Å; E1003-D1006 WeakPolarHBondContact CB-OD2 3.33Å; E1003-D1006 PolarHBondContact N-OD2 2.91Å; D1006-K1008 VanDerWaalsContact C-N 3.28Å; D1006-K1008 PolarHBondContact O-N 3.1Å; D1006-D1009 PolarHBondContact O-N 3.13Å; D1006-L1010 WeakPolarHBondContact O-CB 3.44Å; D1006-L1010 VanDerWaalsContact O-CG 3.25Å; D1006-L1010 WeakPolarHBondContact O-CG 3.47Å; D1006-L1010 PolarHBondContact O-N 3.49Å |
| 1007 | L | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61 | -29 | 175.2 | -68.7 | 177 | 0 | 0 | 0 | 114.5 | F989 L1002 E1003 R1005 L1010 I1012 M1018 I1021 L1022 | F989-L1007 HydrophobicContact CE2-CD2 4.42Å; F989-L1007 HydrophobicContact CZ-CD2 3.8Å; L1002-L1007 HydrophobicContact CD1-CD2 4.03Å; E1003-L1007 WeakPolarHBondContact O-CG 3.41Å; E1003-L1007 PolarHBondContact O-N 3.36Å; R1005-L1007 PolarHBondContact O-N 3.01Å; R1005-L1007 VanDerWaalsContact O-N 3.12Å; L1007-L1010 HydrophobicContact CD2-CD1 4.39Å; L1007-I1012 HydrophobicContact CD2-CD1 4.46Å; L1007-I1012 WeakPolarHBondContact O-CA 3.38Å; L1007-I1012 WeakPolarHBondContact O-CB 3.22Å; L1007-I1012 PolarHBondContact O-N 3.12Å; L1007-M1018 HydrophobicContact CB-CE 3.88Å; L1007-M1018 HydrophobicContact CD1-CB 4.49Å; L1007-I1021 HydrophobicContact CD1-CB 4.26Å; L1007-I1021 HydrophobicContact CD1-CG2 4.07Å; L1007-I1021 HydrophobicContact CD2-CD1 4.19Å; L1007-I1021 HydrophobicContact CD2-CG2 3.98Å; L1007-L1022 HydrophobicContact CD1-CD1 4.06Å; L1007-L1022 HydrophobicContact CD1-CD2 3.74Å; L1007-L1022 HydrophobicContact CD1-CG 3.58Å |
| 1008 | K | 84.4 | Confident | 84.7 | Confident | 133 Ų | 133 | 68.1 Ų | 68.1 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -75.3 | -38 | 171.8 | -63.6 | -176.2 | 176.5 | -177 | 0 | 111.9 | R1005 D1006 L1010 G1011 M1018 | R1005-K1008 WeakPolarHBondContact O-CA 3.45Å; R1005-K1008 VanDerWaalsContact O-CB 3.28Å; R1005-K1008 WeakPolarHBondContact O-CB 3.48Å; R1005-K1008 PolarHBondContact O-N 3.3Å; D1006-K1008 VanDerWaalsContact C-N 3.28Å; D1006-K1008 PolarHBondContact O-N 3.1Å; K1008-L1010 VanDerWaalsContact C-N 3.27Å; K1008-G1011 VanDerWaalsContact O-CA 3.29Å; K1008-G1011 WeakPolarHBondContact O-CA 3.42Å; K1008-G1011 PolarHBondContact O-N 3.23Å; K1008-M1018 HydrophobicContact CG-CE 3.47Å; K1008-M1018 VanDerWaalsContact CG-CE 3.47Å; K1008-M1018 HydrophobicContact CG-SD 4.47Å |
| 1009 | D | 83.4 | Confident | 84.8 | Confident | 132 Ų | 132 | 70.6 Ų | 70.6 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -72.5 | -29.5 | -176 | -54.4 | -33 | 0 | 0 | 0 | 110 | R1005 D1006 G1011 | R1005-D1009 PolarHBondContact O-N 3.4Å; D1006-D1009 PolarHBondContact O-N 3.13Å; D1009-G1011 PolarHBondContact O-N 3.3Å |
| 1010 | L | 84.2 | Confident | 84.9 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 7.3 | 161.8 | -63.9 | 165.6 | 0 | 0 | 0 | 114.3 | T988 F989 H992 I994 L1002 D1006 L1007 K1008 I1012 | T988-L1010 WeakPolarHBondContact CG2-O 3.32Å; F989-L1010 HydrophobicContact CE2-CD1 4.12Å; F989-L1010 HydrophobicContact CZ-CD1 4.3Å; H992-L1010 HydrophobicContact CB-CD2 3.71Å; H992-L1010 VanDerWaalsContact CG-CD2 3.41Å; I994-L1010 HydrophobicContact CD1-CD1 3.41Å; I994-L1010 VanDerWaalsContact CD1-CD1 3.41Å; I994-L1010 HydrophobicContact CD1-CD2 3.82Å; I994-L1010 HydrophobicContact CD1-CG 4.27Å; L1002-L1010 HydrophobicContact CD2-CD1 4.39Å; D1006-L1010 WeakPolarHBondContact O-CB 3.44Å; D1006-L1010 VanDerWaalsContact O-CG 3.25Å; D1006-L1010 WeakPolarHBondContact O-CG 3.47Å; D1006-L1010 PolarHBondContact O-N 3.49Å; L1007-L1010 HydrophobicContact CD2-CD1 4.39Å; K1008-L1010 VanDerWaalsContact C-N 3.27Å; L1010-I1012 PolarHBondContact O-N 3.32Å |
| 1011 | G | 80.2 | Confident | 85 | Confident | 51 Ų | 51 | 73.4 Ų | 73.4 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 1.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | K1008 D1009 S1013 | K1008-G1011 VanDerWaalsContact O-CA 3.29Å; K1008-G1011 WeakPolarHBondContact O-CA 3.42Å; K1008-G1011 PolarHBondContact O-N 3.23Å; D1009-G1011 PolarHBondContact O-N 3.3Å; G1011-S1013 VanDerWaalsContact C-N 3.26Å; G1011-S1013 PolarHBondContact O-N 3.14Å |
| 1012 | I | 87.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -80.4 | 74 | -178.6 | -48.9 | -172.2 | 0 | 0 | 0 | 110.6 | Y985 F989 L1007 L1010 K1014 H1017 M1018 I1021 | Y985-I1012 HydrophobicContact CD1-CD1 3.89Å; Y985-I1012 HydrophobicContact CD1-CG1 3.81Å; Y985-I1012 HydrophobicContact CD2-CD1 3.64Å; Y985-I1012 HydrophobicContact CD2-CG1 4.25Å; Y985-I1012 HydrophobicContact CE1-CD1 4.25Å; Y985-I1012 HydrophobicContact CE1-CG1 3.82Å; Y985-I1012 HydrophobicContact CE1-CG2 4.43Å; Y985-I1012 HydrophobicContact CE2-CD1 4.01Å; Y985-I1012 HydrophobicContact CE2-CG1 4.24Å; Y985-I1012 HydrophobicContact CE2-CG2 3.85Å; Y985-I1012 HydrophobicContact CG-CD1 3.57Å; Y985-I1012 HydrophobicContact CG-CG1 4.04Å; F989-I1012 HydrophobicContact CE2-CD1 3.79Å; F989-I1012 HydrophobicContact CZ-CD1 4.48Å; L1007-I1012 HydrophobicContact CD2-CD1 4.46Å; L1007-I1012 WeakPolarHBondContact O-CA 3.38Å; L1007-I1012 WeakPolarHBondContact O-CB 3.22Å; L1007-I1012 PolarHBondContact O-N 3.12Å; L1010-I1012 PolarHBondContact O-N 3.32Å; I1012-K1014 VanDerWaalsContact C-N 3.33Å; I1012-K1014 PolarHBondContact O-N 2.86Å; I1012-H1017 HydrophobicContact CG2-CB 3.95Å; I1012-M1018 HydrophobicContact CG2-CG 4.05Å; I1012-M1018 WeakPolarHBondContact O-CG 3.48Å; I1012-I1021 HydrophobicContact CD1-CD1 3.55Å | ||
| 1013 | S | 80.9 | Confident | 85.5 | Confident | 97 Ų | 97 | 71.3 Ų | 71.3 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | trans | -71 | -23.4 | 177 | 60.8 | 0 | 0 | 0 | 0 | 114 | G1011 V1015 | G1011-S1013 VanDerWaalsContact C-N 3.26Å; G1011-S1013 PolarHBondContact O-N 3.14Å; S1013-V1015 PolarHBondContact O-N 3.03Å | ||
| 1014 | K | 88.1 | Confident | 85.5 | Confident | 93 Ų | 93 | 67.1 Ų | 67.1 | 40% | 0.404 | 34% | 0.342 | S | S | . | . | trans | -67.9 | 99.7 | -179.9 | -63.9 | 179.8 | -164.3 | 167.1 | 0 | 110.5 | E984 Y985 I1012 G1016 H1017 M1018 | E984-K1014 IonicContact OE1-NZ 3.71Å; E984-K1014 PolarHBondContact OE1-NZ 3.02Å; E984-K1014 IonicContact OE2-NZ 3.19Å; E984-K1014 PolarHBondContact OE2-NZ 2.77Å; Y985-K1014 WeakPolarHBondContact OH-CD 3.35Å; I1012-K1014 VanDerWaalsContact C-N 3.33Å; I1012-K1014 PolarHBondContact O-N 2.86Å; K1014-G1016 PolarHBondContact O-N 3Å; K1014-H1017 HydrophobicContact CB-CB 4.01Å; K1014-H1017 WeakPolarHBondContact CD-ND1 3.48Å; K1014-H1017 WeakPolarHBondContact O-CA 3.3Å; K1014-H1017 WeakPolarHBondContact O-CB 3.29Å; K1014-H1017 PolarHBondContact O-N 2.95Å; K1014-M1018 PolarHBondContact O-N 3.32Å; K1014-M1018 VanDerWaalsContact O-N 3.15Å | ||
| 1015 | V | 80.4 | Confident | 85.5 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 50% | 0.497 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -51.9 | -33.7 | -176.7 | -179.2 | 0 | 0 | 0 | 0 | 114 | S1013 H1017 K1019 | S1013-V1015 PolarHBondContact O-N 3.03Å; V1015-H1017 VanDerWaalsContact C-N 3.34Å; V1015-K1019 WeakPolarHBondContact O-CG 3.36Å; V1015-K1019 PolarHBondContact O-N 3.49Å; V1015-K1019 VanDerWaalsContact O-N 3.12Å |
| 1016 | G | 81.6 | Confident | 85.5 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 44% | 0.443 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.2 | -27.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1014 R1020 | K1014-G1016 PolarHBondContact O-N 3Å; G1016-R1020 PolarHBondContact O-N 2.96Å |
| 1017 | H | 88.8 | Confident | 85.3 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 17% | 0.167 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -83 | -43.8 | -179.7 | -65 | -155.5 | 0 | 0 | 0 | 108.9 | L982 E984 Y985 I1012 K1014 V1015 K1019 R1020 I1021 | L982-H1017 HydrophobicContact CD2-CB 3.68Å; L982-H1017 VanDerWaalsContact CD2-CG 3.43Å; L982-H1017 VanDerWaalsContact CD2-ND1 3.3Å; L982-H1017 WeakPolarHBondContact CD2-ND1 3.29Å; E984-H1017 IonicContact OE1-CE1 2.91Å; E984-H1017 PolarHBondContact OE1-CE1 2.76Å; E984-H1017 IonicContact OE1-ND1 3.78Å; E984-H1017 PolarHBondContact OE1-ND1 3.1Å; Y985-H1017 HydrophobicContact CE2-CB 3.97Å; Y985-H1017 AromaticContact CE2-ND1 3.54Å; Y985-H1017 AromaticContact CZ-ND1 3.97Å; I1012-H1017 HydrophobicContact CG2-CB 3.95Å; K1014-H1017 HydrophobicContact CB-CB 4.01Å; K1014-H1017 WeakPolarHBondContact CD-ND1 3.48Å; K1014-H1017 WeakPolarHBondContact O-CA 3.3Å; K1014-H1017 WeakPolarHBondContact O-CB 3.29Å; K1014-H1017 PolarHBondContact O-N 2.95Å; V1015-H1017 VanDerWaalsContact C-N 3.34Å; H1017-K1019 PolarHBondContact O-N 3.09Å; H1017-R1020 PolarHBondContact CD2-NH2 3.21Å; H1017-R1020 PolarHBondContact NE2-NH2 2.92Å; H1017-R1020 PolarHBondContact O-N 2.8Å; H1017-I1021 PolarHBondContact O-N 3.06Å |
| 1018 | M | 88.1 | Confident | 85 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -51.5 | -43.4 | 167.9 | -52.7 | -180 | 89.3 | 0 | 0 | 112.3 | R1004 L1007 K1008 I1012 K1014 L1022 | R1004-M1018 HydrophobicContact CG-CE 3.73Å; R1004-M1018 VanDerWaalsContact O-CE 3.25Å; R1004-M1018 WeakPolarHBondContact O-CE 3.46Å; L1007-M1018 HydrophobicContact CB-CE 3.88Å; L1007-M1018 HydrophobicContact CD1-CB 4.49Å; K1008-M1018 HydrophobicContact CG-CE 3.47Å; K1008-M1018 VanDerWaalsContact CG-CE 3.47Å; K1008-M1018 HydrophobicContact CG-SD 4.47Å; I1012-M1018 HydrophobicContact CG2-CG 4.05Å; I1012-M1018 WeakPolarHBondContact O-CG 3.48Å; K1014-M1018 PolarHBondContact O-N 3.32Å; K1014-M1018 VanDerWaalsContact O-N 3.15Å; M1018-L1022 WeakPolarHBondContact O-CB 3.31Å; M1018-L1022 VanDerWaalsContact O-CG 3.28Å; M1018-L1022 WeakPolarHBondContact O-CG 3.46Å; M1018-L1022 PolarHBondContact O-N 3.45Å |
| 1019 | K | 85.4 | Confident | 84.6 | Confident | 139 Ų | 139 | 57.9 Ų | 57.9 | 60% | 0.604 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66.2 | -35.1 | 178.1 | -85.2 | -171.4 | 174.3 | -172.6 | 0 | 113.4 | V1015 H1017 Q1023 | V1015-K1019 WeakPolarHBondContact O-CG 3.36Å; V1015-K1019 PolarHBondContact O-N 3.49Å; V1015-K1019 VanDerWaalsContact O-N 3.12Å; H1017-K1019 PolarHBondContact O-N 3.09Å; K1019-Q1023 VanDerWaalsContact O-CB 3.28Å; K1019-Q1023 WeakPolarHBondContact O-CB 3.44Å; K1019-Q1023 PolarHBondContact O-N 3.22Å |
| 1020 | R | 89.4 | Confident | 84 | Confident | 95 Ų | 95 | 58.1 Ų | 58.1 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -69.1 | -46.1 | 175.6 | -90.8 | -172.5 | -80.7 | 149.4 | -5.9 | 111 | L980 S981 L982 G1016 H1017 Q1023 G1024 | L980-R1020 PolarHBondContact O-NH1 3.44Å; S981-R1020 PolarHBondContact O-NH1 2.87Å; L982-R1020 HydrophobicContact CD1-CB 3.86Å; G1016-R1020 PolarHBondContact O-N 2.96Å; H1017-R1020 PolarHBondContact CD2-NH2 3.21Å; H1017-R1020 PolarHBondContact NE2-NH2 2.92Å; H1017-R1020 PolarHBondContact O-N 2.8Å; R1020-Q1023 PolarHBondContact O-N 2.73Å; R1020-G1024 PolarHBondContact O-N 3.31Å |
| 1021 | I | 88.6 | Confident | 83 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.6 | -55.6 | 176.4 | -62.5 | 165.5 | 0 | 0 | 0 | 110.2 | W976 L977 L982 F989 L1007 I1012 H1017 Q1023 G1024 T1025 | W976-I1021 HydrophobicContact CH2-CG2 4.16Å; W976-I1021 HydrophobicContact CZ3-CG2 4.45Å; L977-I1021 HydrophobicContact CD2-CD1 4.22Å; L977-I1021 HydrophobicContact CD2-CG1 4.08Å; L982-I1021 HydrophobicContact CD1-CD1 4.07Å; L982-I1021 HydrophobicContact CD1-CG1 3.54Å; F989-I1021 HydrophobicContact CZ-CD1 4.43Å; L1007-I1021 HydrophobicContact CD1-CB 4.26Å; L1007-I1021 HydrophobicContact CD1-CG2 4.07Å; L1007-I1021 HydrophobicContact CD2-CD1 4.19Å; L1007-I1021 HydrophobicContact CD2-CG2 3.98Å; I1012-I1021 HydrophobicContact CD1-CD1 3.55Å; H1017-I1021 PolarHBondContact O-N 3.06Å; I1021-Q1023 PolarHBondContact O-N 2.89Å; I1021-G1024 PolarHBondContact O-N 2.98Å; I1021-G1024 VanDerWaalsContact O-N 3.07Å; I1021-T1025 HydrophobicContact CG2-CG2 4.17Å; I1021-T1025 WeakPolarHBondContact O-CG2 3.36Å; I1021-T1025 PolarHBondContact O-N 3.26Å; I1021-T1025 PolarHBondContact O-OG1 3.46Å |
| 1022 | L | 88.4 | Confident | 81.9 | Confident | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.183 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.5 | -10.4 | -179.4 | -66.8 | 171.9 | 0 | 0 | 0 | 115.2 | L1002 R1004 L1007 M1018 K1026 | L1002-L1022 VanDerWaalsContact O-CD2 3.23Å; L1002-L1022 WeakPolarHBondContact O-CD2 3.38Å; R1004-L1022 HydrophobicContact CB-CD1 3.9Å; R1004-L1022 HydrophobicContact CG-CD1 3.91Å; L1007-L1022 HydrophobicContact CD1-CD1 4.06Å; L1007-L1022 HydrophobicContact CD1-CD2 3.74Å; L1007-L1022 HydrophobicContact CD1-CG 3.58Å; M1018-L1022 WeakPolarHBondContact O-CB 3.31Å; M1018-L1022 VanDerWaalsContact O-CG 3.28Å; M1018-L1022 WeakPolarHBondContact O-CG 3.46Å; M1018-L1022 PolarHBondContact O-N 3.45Å; L1022-K1026 WeakPolarHBondContact O-CD 3.5Å; L1022-K1026 WeakPolarHBondContact O-CG 3.38Å |
| 1023 | Q | 88.1 | Confident | 80.1 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -90.5 | -46.8 | 170 | -178.6 | 61.8 | 29.3 | 0 | 0 | 110.3 | K1019 R1020 I1021 T1025 K1026 E1027 | K1019-Q1023 VanDerWaalsContact O-CB 3.28Å; K1019-Q1023 WeakPolarHBondContact O-CB 3.44Å; K1019-Q1023 PolarHBondContact O-N 3.22Å; R1020-Q1023 PolarHBondContact O-N 2.73Å; I1021-Q1023 PolarHBondContact O-N 2.89Å; Q1023-T1025 PolarHBondContact O-N 2.64Å; Q1023-K1026 WeakPolarHBondContact O-CB 3.4Å; Q1023-K1026 PolarHBondContact O-N 3.46Å; Q1023-E1027 PolarHBondContact NE2-OE1 3.45Å; Q1023-E1027 PolarHBondContact O-N 3.06Å; Q1023-E1027 VanDerWaalsContact O-N 3.1Å |
| 1024 | G | 85.6 | Confident | 78.5 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | R1020 I1021 K1026 E1027 L1028 | R1020-G1024 PolarHBondContact O-N 3.31Å; I1021-G1024 PolarHBondContact O-N 2.98Å; I1021-G1024 VanDerWaalsContact O-N 3.07Å; G1024-K1026 VanDerWaalsContact C-N 3.25Å; G1024-K1026 PolarHBondContact O-N 3.01Å; G1024-E1027 WeakPolarHBondContact O-CA 3.35Å; G1024-E1027 PolarHBondContact O-N 2.84Å; G1024-L1028 PolarHBondContact O-N 3.4Å |
| 1025 | T | 86.1 | Confident | 76.2 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 5% | 0.049 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.1 | -33.5 | 176.9 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | W976 L999 I1021 Q1023 E1027 A1029 | W976-T1025 HydrophobicContact CH2-CG2 3.72Å; W976-T1025 HydrophobicContact CZ2-CG2 4.23Å; L999-T1025 HydrophobicContact CD1-CG2 3.74Å; L999-T1025 HydrophobicContact CG-CG2 3.92Å; L999-T1025 VanDerWaalsContact O-CG2 3.25Å; L999-T1025 WeakPolarHBondContact O-CG2 3.44Å; I1021-T1025 HydrophobicContact CG2-CG2 4.17Å; I1021-T1025 WeakPolarHBondContact O-CG2 3.36Å; I1021-T1025 PolarHBondContact O-N 3.26Å; I1021-T1025 PolarHBondContact O-OG1 3.46Å; Q1023-T1025 PolarHBondContact O-N 2.64Å; T1025-E1027 VanDerWaalsContact C-N 3.31Å; T1025-E1027 PolarHBondContact O-N 3.39Å; T1025-A1029 WeakPolarHBondContact O-CB 3.09Å; T1025-A1029 PolarHBondContact O-N 3.43Å |
| 1026 | K | 82.8 | Confident | 74 | Confident | 129 Ų | 129 | 75.5 Ų | 75.5 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -73.8 | -19.7 | 172.8 | -69.1 | -179 | -178 | -175.3 | 0 | 113.9 | L1022 Q1023 G1024 K1030 | L1022-K1026 WeakPolarHBondContact O-CD 3.5Å; L1022-K1026 WeakPolarHBondContact O-CG 3.38Å; Q1023-K1026 WeakPolarHBondContact O-CB 3.4Å; Q1023-K1026 PolarHBondContact O-N 3.46Å; G1024-K1026 VanDerWaalsContact C-N 3.25Å; G1024-K1026 PolarHBondContact O-N 3.01Å; K1026-K1030 WeakPolarHBondContact O-CD 3.36Å; K1026-K1030 VanDerWaalsContact O-CG 3.26Å; K1026-K1030 WeakPolarHBondContact O-CG 3.42Å; K1026-K1030 PolarHBondContact O-N 3.12Å |
| 1027 | E | 81.2 | Confident | 73.6 | Confident | 99 Ų | 99 | 77.2 Ų | 77.2 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -83.4 | -41.6 | 173 | -74.5 | 165.3 | -171.7 | 0 | 0 | 110.1 | Q1023 G1024 T1025 A1029 K1030 V1031 | Q1023-E1027 PolarHBondContact NE2-OE1 3.45Å; Q1023-E1027 PolarHBondContact O-N 3.06Å; Q1023-E1027 VanDerWaalsContact O-N 3.1Å; G1024-E1027 WeakPolarHBondContact O-CA 3.35Å; G1024-E1027 PolarHBondContact O-N 2.84Å; T1025-E1027 VanDerWaalsContact C-N 3.31Å; T1025-E1027 PolarHBondContact O-N 3.39Å; E1027-A1029 PolarHBondContact O-N 2.81Å; E1027-K1030 PolarHBondContact O-N 3.18Å; E1027-V1031 PolarHBondContact O-N 2.94Å |
| 1028 | L | 81.7 | Confident | 72.8 | Confident | 21 Ų | 21 | 79.3 Ų | 79.3 | 11% | 0.11 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -57.5 | -47.2 | 168 | -66.8 | -179.4 | 0 | 0 | 0 | 112.4 | V965 W968 W976 L999 L1000 G1024 K1030 V1031 S1032 | V965-L1028 HydrophobicContact CG1-CB 4.33Å; V965-L1028 HydrophobicContact CG1-CD1 4.12Å; V965-L1028 HydrophobicContact CG2-CB 4.33Å; V965-L1028 HydrophobicContact CG2-CD2 4.2Å; W968-L1028 HydrophobicContact CH2-CD1 4.26Å; W968-L1028 HydrophobicContact CH2-CD2 3.63Å; W968-L1028 HydrophobicContact CZ2-CD2 4.42Å; W968-L1028 HydrophobicContact CZ3-CD1 3.87Å; W968-L1028 HydrophobicContact CZ3-CD2 4.11Å; W976-L1028 HydrophobicContact CD2-CD1 4.23Å; W976-L1028 HydrophobicContact CG-CD1 4.46Å; W976-L1028 HydrophobicContact CZ2-CD1 3.9Å; W976-L1028 HydrophobicContact CZ2-CG 4.49Å; L999-L1028 HydrophobicContact CD2-CD1 3.69Å; L1000-L1028 HydrophobicContact CD2-CB 4.04Å; G1024-L1028 PolarHBondContact O-N 3.4Å; L1028-K1030 VanDerWaalsContact C-N 3.27Å; L1028-K1030 PolarHBondContact O-N 3.1Å; L1028-V1031 PolarHBondContact O-N 3.29Å; L1028-S1032 PolarHBondContact O-N 2.97Å |
| 1029 | A | 75.6 | Confident | 71.9 | Confident | 34 Ų | 34 | 83.5 Ų | 83.5 | 28% | 0.281 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.7 | -35.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1000 T1025 E1027 S1032 M1033 | L1000-A1029 HydrophobicContact CD2-CB 3.84Å; T1025-A1029 WeakPolarHBondContact O-CB 3.09Å; T1025-A1029 PolarHBondContact O-N 3.43Å; E1027-A1029 PolarHBondContact O-N 2.81Å; A1029-S1032 PolarHBondContact O-N 3.09Å; A1029-M1033 PolarHBondContact O-N 2.73Å; A1029-M1033 VanDerWaalsContact O-N 3.09Å |
| 1030 | K | 70.6 | Confident | 71.1 | Confident | 137 Ų | 137 | 80.2 Ų | 80.2 | 60% | 0.596 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -68.7 | -34.1 | 174.9 | -77.7 | 170.3 | -176.9 | 175.2 | 0 | 113 | K1026 E1027 L1028 V1034 | K1026-K1030 WeakPolarHBondContact O-CD 3.36Å; K1026-K1030 VanDerWaalsContact O-CG 3.26Å; K1026-K1030 WeakPolarHBondContact O-CG 3.42Å; K1026-K1030 PolarHBondContact O-N 3.12Å; E1027-K1030 PolarHBondContact O-N 3.18Å; L1028-K1030 VanDerWaalsContact C-N 3.27Å; L1028-K1030 PolarHBondContact O-N 3.1Å; K1030-V1034 WeakPolarHBondContact O-CG2 3.14Å |
| 1031 | V | 64.4 | Low | 70 | Confident | 91 Ų | 91 | 79.3 Ų | 79.3 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.5 | -45.5 | 173.6 | 177.7 | 0 | 0 | 0 | 0 | 109.5 | E1027 L1028 M1033 V1034 | E1027-V1031 PolarHBondContact O-N 2.94Å; L1028-V1031 PolarHBondContact O-N 3.29Å; V1031-M1033 VanDerWaalsContact C-N 3.27Å; V1031-M1033 PolarHBondContact O-N 3.01Å; V1031-V1034 PolarHBondContact O-N 2.72Å |
| 1032 | S | 57 | Low | 68.8 | Low | 18 Ų | 18 | 84.6 Ų | 84.6 | 13% | 0.126 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -60.6 | -32.6 | 178.6 | -147.9 | 0 | 0 | 0 | 0 | 113.6 | L1028 A1029 V1034 | L1028-S1032 PolarHBondContact O-N 2.97Å; A1029-S1032 PolarHBondContact O-N 3.09Å; S1032-V1034 VanDerWaalsContact C-N 3.28Å; S1032-V1034 PolarHBondContact O-N 2.74Å |
| 1033 | M | 49.6 | Very low | 67.3 | Low | 154 Ų | 154 | 88.1 Ų | 88.1 | 76% | 0.759 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 4.7 | 176.4 | -76.3 | -171.9 | 166 | 0 | 0 | 115.2 | A1029 V1031 | A1029-M1033 PolarHBondContact O-N 2.73Å; A1029-M1033 VanDerWaalsContact O-N 3.09Å; V1031-M1033 VanDerWaalsContact C-N 3.27Å; V1031-M1033 PolarHBondContact O-N 3.01Å |
| 1034 | V | 46.3 | Very low | 65.8 | Low | 119 Ų | 119 | 87.8 Ų | 87.8 | 72% | 0.721 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -14.3 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 112.4 | K1030 V1031 S1032 | K1030-V1034 WeakPolarHBondContact O-CG2 3.14Å; V1031-V1034 PolarHBondContact O-N 2.72Å; S1032-V1034 VanDerWaalsContact C-N 3.28Å; S1032-V1034 PolarHBondContact O-N 2.74Å |
| 1035 | D | 40 | Very low | 64.1 | Low | 121 Ų | 121 | 94.7 Ų | 94.7 | 65% | 0.647 | 50% | 0.495 | S | S | * | . | trans | -97.9 | 6.4 | 177.3 | -83.9 | -50.5 | 0 | 0 | 0 | 114.4 | ||||
| 1036 | L | 34.1 | Very low | 62.1 | Low | 205 Ų | 205 | 102.5 Ų | 102.5 | 100% | 1.073 | 54% | 0.535 | S | S | * | . | trans | -110 | 0 | 177.1 | -97.9 | 162.1 | 0 | 0 | 0 | 112 |
Retrieved 1,036 of 1,036 residues in 1466.6 ms
(Link to these results)