| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.3 | Low | 79.7 | Confident | 227 Ų | 227 | 136.5 Ų | 136.5 | 100% | 1.118 | 73% | 0.731 | S | S | * | * | 0 | 143.6 | 0 | -75.3 | -175.7 | 171.5 | 0 | 0 | 108.4 | T3 | M1-T3 PolarHBondContact O-N 3.06Å; M1-T3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | P | 59.5 | Low | 80.2 | Confident | 133 Ų | 133 | 141.3 Ų | 141.3 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -60.4 | 118.4 | 178.5 | 25.2 | -32.2 | 0 | 0 | 0 | 109 | D4 | P2-D4 PolarHBondContact O-N 3.14Š| ||
| 3 | T | 74.1 | Confident | 80.7 | Confident | 114 Ų | 114 | 138.8 Ų | 138.8 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | trans | -70.7 | 125.5 | 177.5 | 40.8 | 0 | 0 | 0 | 0 | 108.7 | M1 T5 | M1-T3 PolarHBondContact O-N 3.06Å; M1-T3 VanDerWaalsContact O-N 3.12Å; T3-T5 PolarHBondContact O-N 3.1Å; T3-T5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | D | 79.9 | Confident | 81 | Confident | 57 Ų | 57 | 135.5 Ų | 135.5 | 31% | 0.305 | 73% | 0.733 | S | S | . | * | trans | -65.3 | 112.9 | 177.1 | -174 | -1 | 0 | 0 | 0 | 109.5 | P2 K6 R7 W113 | P2-D4 PolarHBondContact O-N 3.14Å; D4-K6 WeakPolarHBondContact OD1-CB 3.37Å; D4-K6 PolarHBondContact OD1-N 3.34Å; D4-R7 WeakPolarHBondContact OD2-CD 3.2Å; D4-R7 VanDerWaalsContact OD2-CG 3.26Å; D4-R7 WeakPolarHBondContact OD2-CG 3.48Å; D4-R7 IonicContact OD2-NE 3.39Å; D4-R7 PolarHBondContact OD2-NE 3.21Å; D4-W113 WeakPolarHBondContact OD2-CH2 3.28Å; D4-W113 WeakPolarHBondContact OD2-CZ3 3.48Å | ||
| 5 | T | 86.2 | Confident | 81.4 | Confident | 119 Ų | 119 | 135.2 Ų | 135.2 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -9.6 | -179.5 | 58.1 | 0 | 0 | 0 | 0 | 113.1 | T3 R7 | T3-T5 PolarHBondContact O-N 3.1Å; T3-T5 VanDerWaalsContact O-N 3.1Å; T5-R7 VanDerWaalsContact C-N 3.29Å |
| 6 | K | 87.7 | Confident | 81.7 | Confident | 190 Ų | 190 | 128 Ų | 128 | 83% | 0.826 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 0.7 | -178.7 | -63.7 | -179 | 179.2 | 179.3 | 0 | 112.8 | D4 | D4-K6 WeakPolarHBondContact OD1-CB 3.37Å; D4-K6 PolarHBondContact OD1-N 3.34Å |
| 7 | R | 84.3 | Confident | 82 | Confident | 125 Ų | 125 | 126.5 Ų | 126.5 | 47% | 0.472 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -136.5 | 165.2 | -169.7 | -63.6 | -170.9 | -179.8 | -138.4 | -20.1 | 113.5 | D4 T5 R9 W113 | D4-R7 WeakPolarHBondContact OD2-CD 3.2Å; D4-R7 VanDerWaalsContact OD2-CG 3.26Å; D4-R7 WeakPolarHBondContact OD2-CG 3.48Å; D4-R7 IonicContact OD2-NE 3.39Å; D4-R7 PolarHBondContact OD2-NE 3.21Å; T5-R7 VanDerWaalsContact C-N 3.29Å; R7-R9 PolarHBondContact O-N 3.26Å; R7-W113 VanDerWaalsContact CZ-CD1 3.42Å; R7-W113 VanDerWaalsContact NH2-CD2 3.34Å; R7-W113 VanDerWaalsContact NH2-CE2 3.31Å |
| 8 | V | 88.9 | Confident | 81.8 | Confident | 142 Ų | 142 | 122.4 Ų | 122.4 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | trans | -59.9 | 130.6 | 170.8 | -177 | 0 | 0 | 0 | 0 | 109 | G10 | V8-G10 PolarHBondContact O-N 3.46Å; V8-G10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | R | 86.3 | Confident | 81.8 | Confident | 228 Ų | 228 | 121.6 Ų | 121.6 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | trans | -72.9 | 102.6 | 178.4 | -64.3 | -176.7 | -177.7 | -178.8 | 0.7 | 109.5 | R7 | R7-R9 PolarHBondContact O-N 3.26Š| ||
| 10 | G | 85.5 | Confident | 81.9 | Confident | 59 Ų | 59 | 122.8 Ų | 122.8 | 61% | 0.608 | 66% | 0.662 | S | S | * | * | trans | -88.8 | -177.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V8 | V8-G10 PolarHBondContact O-N 3.46Å; V8-G10 VanDerWaalsContact O-N 3.11Å | ||
| 11 | P | 89.2 | Confident | 81.9 | Confident | 108 Ų | 108 | 122.9 Ų | 122.9 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | trans | -61.6 | 151.5 | 168.1 | 29.1 | -35.1 | 0 | 0 | 0 | 110.7 | V13 | P11-V13 VanDerWaalsContact C-N 3.29Å; P11-V13 PolarHBondContact O-N 3.03Å | ||
| 12 | E | 85.6 | Confident | 82.1 | Confident | 194 Ų | 194 | 116.9 Ų | 116.9 | 91% | 0.907 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -65.7 | -33.8 | -179.8 | -62.3 | -167.8 | 160.3 | 0 | 0 | 112.5 | ||
| 13 | V | 86.1 | Confident | 82.3 | Confident | 108 Ų | 108 | 120 Ų | 120 | 66% | 0.655 | 64% | 0.641 | S | S | * | * | trans | -134.7 | 136 | -179.9 | -175.9 | 0 | 0 | 0 | 0 | 109 | P11 Q15 | P11-V13 VanDerWaalsContact C-N 3.29Å; P11-V13 PolarHBondContact O-N 3.03Å; V13-Q15 HydrophobicContact CG1-CG 4.32Å | ||
| 14 | S | 86.1 | Confident | 80.9 | Confident | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | trans | -129.9 | 125.8 | 169.1 | 61.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 15 | Q | 86.8 | Confident | 79.3 | Confident | 131 Ų | 131 | 122.7 Ų | 122.7 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | trans | -106.1 | 143.8 | 175.6 | -69.7 | -177.3 | -6.3 | 0 | 0 | 110.4 | V13 L19 F20 | V13-Q15 HydrophobicContact CG1-CG 4.32Å; Q15-L19 HydrophobicContact CB-CD1 4.42Å; Q15-F20 HydrophobicContact CB-CE2 4.21Å; Q15-F20 VanDerWaalsContact OE1-CZ 3.28Å | ||
| 16 | S | 85.5 | Confident | 77.5 | Confident | 20 Ų | 20 | 123.6 Ų | 123.6 | 14% | 0.14 | 67% | 0.669 | C | S | . | * | trans | -72.1 | 138.3 | 177.9 | 60.5 | 0 | 0 | 0 | 0 | 109.9 | S18 L19 E109 | S16-S18 VanDerWaalsContact CB-OG 3.3Å; S16-S18 WeakPolarHBondContact CB-OG 3.39Å; S16-S18 PolarHBondContact O-N 2.97Å; S16-S18 PolarHBondContact OG-OG 3.09Å; S16-L19 PolarHBondContact O-N 3.14Å; S16-L19 WeakPolarHBondContact OG-CG 3.48Å; S16-E109 PolarHBondContact OG-OE1 2.82Å | ||
| 17 | P | 86.3 | Confident | 75.2 | Confident | 103 Ų | 103 | 123.9 Ų | 123.9 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -64.9 | -18.4 | 177.2 | 15.1 | -19 | 0 | 0 | 0 | 113 | L19 F20 L21 | P17-L19 PolarHBondContact O-N 3.06Å; P17-F20 PolarHBondContact O-N 3.43Å; P17-F20 VanDerWaalsContact O-N 3.09Å; P17-L21 PolarHBondContact O-N 3.35Å |
| 18 | S | 79.9 | Confident | 73.1 | Confident | 53 Ų | 53 | 127.3 Ų | 127.3 | 37% | 0.371 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -58.9 | -25.4 | 174.1 | 41.7 | 0 | 0 | 0 | 0 | 114.2 | S16 F20 | S16-S18 VanDerWaalsContact CB-OG 3.3Å; S16-S18 WeakPolarHBondContact CB-OG 3.39Å; S16-S18 PolarHBondContact O-N 2.97Å; S16-S18 PolarHBondContact OG-OG 3.09Å; S18-F20 VanDerWaalsContact C-N 3.33Å |
| 19 | L | 81.8 | Confident | 70.7 | Confident | 107 Ų | 107 | 125.3 Ų | 125.3 | 56% | 0.56 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -71.7 | -29.8 | 176.3 | -62.9 | 173.4 | 0 | 0 | 0 | 112.5 | Q15 S16 P17 | Q15-L19 HydrophobicContact CB-CD1 4.42Å; S16-L19 PolarHBondContact O-N 3.14Å; S16-L19 WeakPolarHBondContact OG-CG 3.48Å; P17-L19 PolarHBondContact O-N 3.06Å |
| 20 | F | 83.7 | Confident | 68.4 | Low | 144 Ų | 144 | 121.1 Ų | 121.1 | 63% | 0.632 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -7 | -176.9 | -56.9 | -75.1 | 0 | 0 | 0 | 113.2 | Q15 P17 S18 C22 | Q15-F20 HydrophobicContact CB-CE2 4.21Å; Q15-F20 VanDerWaalsContact OE1-CZ 3.28Å; P17-F20 PolarHBondContact O-N 3.43Å; P17-F20 VanDerWaalsContact O-N 3.09Å; S18-F20 VanDerWaalsContact C-N 3.33Å; F20-C22 PolarHBondContact O-N 2.95Å; F20-C22 VanDerWaalsContact O-N 3.1Å |
| 21 | L | 80.9 | Confident | 66.3 | Low | 126 Ų | 126 | 120.8 Ų | 120.8 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -66.6 | 109.6 | 169.2 | -89.4 | 150 | 0 | 0 | 0 | 108.2 | P17 K23 | P17-L21 PolarHBondContact O-N 3.35Å; L21-K23 PolarHBondContact O-N 2.91Å; L21-K23 VanDerWaalsContact O-N 3.11Å |
| 22 | C | 59.7 | Low | 64 | Low | 100 Ų | 100 | 120 Ų | 120 | 68% | 0.676 | 67% | 0.669 | S | S | * | * | trans | -50.4 | 124.2 | 161.5 | -76.7 | 0 | 0 | 0 | 0 | 106.7 | F20 N24 | F20-C22 PolarHBondContact O-N 2.95Å; F20-C22 VanDerWaalsContact O-N 3.1Å; C22-N24 PolarHBondContact O-N 3.06Å | ||
| 23 | K | 63.7 | Low | 62.5 | Low | 198 Ų | 198 | 118.6 Ų | 118.6 | 86% | 0.861 | 67% | 0.668 | S | S | * | * | trans | -66.7 | 67.9 | 169.9 | -63.4 | -179.4 | -177.8 | -179.9 | 0 | 107.7 | L21 A25 | L21-K23 PolarHBondContact O-N 2.91Å; L21-K23 VanDerWaalsContact O-N 3.11Å; K23-A25 PolarHBondContact O-N 2.97Å | ||
| 24 | N | 45.3 | Very low | 61.1 | Low | 137 Ų | 137 | 117.8 Ų | 117.8 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | trans | -54.9 | 113.6 | 165.6 | -76 | -11.4 | 0 | 0 | 0 | 103.9 | C22 V26 | C22-N24 PolarHBondContact O-N 3.06Å; N24-V26 PolarHBondContact O-N 3.01Å | ||
| 25 | A | 46.6 | Very low | 60 | Low | 92 Ų | 92 | 114.8 Ų | 114.8 | 76% | 0.76 | 64% | 0.641 | S | S | * | * | trans | -36.7 | 108.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | K23 K27 | K23-A25 PolarHBondContact O-N 2.97Å; A25-K27 PolarHBondContact O-N 3.43Å | ||
| 26 | V | 47.3 | Very low | 59.1 | Low | 138 Ų | 138 | 109 Ų | 109 | 84% | 0.836 | 61% | 0.613 | S | S | * | * | trans | -48.2 | 114 | 179.1 | 172.8 | 0 | 0 | 0 | 0 | 104.8 | N24 K28 | N24-V26 PolarHBondContact O-N 3.01Å; V26-K28 PolarHBondContact O-N 2.92Å | ||
| 27 | K | 39.5 | Very low | 58.1 | Low | 195 Ų | 195 | 113.5 Ų | 113.5 | 85% | 0.848 | 64% | 0.64 | S | S | * | * | trans | -51.1 | 117.7 | 179.6 | -79.2 | -179.5 | 176.3 | 178 | 0 | 105.4 | A25 S29 | A25-K27 PolarHBondContact O-N 3.43Å; K27-S29 VanDerWaalsContact C-N 3.3Å; K27-S29 PolarHBondContact O-N 2.64Å | ||
| 28 | K | 41 | Very low | 56.8 | Low | 197 Ų | 197 | 112.4 Ų | 112.4 | 86% | 0.857 | 63% | 0.629 | S | S | * | * | trans | -46.5 | 101 | 168.5 | -86.7 | 178.7 | 170.1 | 179 | 0 | 106.6 | V26 T30 | V26-K28 PolarHBondContact O-N 2.92Å; K28-T30 VanDerWaalsContact C-N 3.32Å; K28-T30 PolarHBondContact O-N 2.99Å | ||
| 29 | S | 37.7 | Very low | 56 | Low | 101 Ų | 101 | 112.6 Ų | 112.6 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | trans | -63.5 | 110.7 | 154.1 | 50.4 | 0 | 0 | 0 | 0 | 103.5 | K27 A31 | K27-S29 VanDerWaalsContact C-N 3.3Å; K27-S29 PolarHBondContact O-N 2.64Å; S29-A31 PolarHBondContact O-N 3.31Å | ||
| 30 | T | 38.9 | Very low | 55.4 | Low | 139 Ų | 139 | 108.5 Ų | 108.5 | 85% | 0.853 | 62% | 0.616 | S | S | * | * | trans | -60 | 67.3 | 170.1 | 46.5 | 0 | 0 | 0 | 0 | 109.3 | K28 | K28-T30 VanDerWaalsContact C-N 3.32Å; K28-T30 PolarHBondContact O-N 2.99Å | ||
| 31 | A | 41.1 | Very low | 54.6 | Low | 53 Ų | 53 | 107 Ų | 107 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | trans | -85 | 125.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | S29 N33 | S29-A31 PolarHBondContact O-N 3.31Å; A31-N33 PolarHBondContact O-N 2.82Å | ||
| 32 | S | 41.5 | Very low | 53.7 | Low | 90 Ų | 90 | 104.8 Ų | 104.8 | 63% | 0.629 | 59% | 0.593 | S | S | * | * | trans | -38 | 137.9 | 168.1 | 45.7 | 0 | 0 | 0 | 0 | 110.5 | D34 A35 | S32-D34 PolarHBondContact O-N 3.31Å; S32-A35 PolarHBondContact O-N 3.11Å | ||
| 33 | N | 53.9 | Low | 53.6 | Low | 166 Ų | 166 | 103.1 Ų | 103.1 | 89% | 0.888 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.1 | -1.6 | -171.2 | -77.9 | -24.2 | 0 | 0 | 0 | 117.5 | A31 | A31-N33 PolarHBondContact O-N 2.82Š|
| 34 | D | 56.6 | Low | 53.7 | Low | 90 Ų | 90 | 98.5 Ų | 98.5 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120.5 | -6.9 | -173 | -146.6 | 21.4 | 0 | 0 | 0 | 114.6 | S32 Q41 R42 | S32-D34 PolarHBondContact O-N 3.31Å; D34-Q41 WeakPolarHBondContact O-CA 3.4Å; D34-R42 PolarHBondContact O-N 3.4Å |
| 35 | A | 61.8 | Low | 54.8 | Low | 30 Ų | 30 | 93 Ų | 93 | 25% | 0.248 | 55% | 0.546 | C | S | . | . | B | Isolated β-bridge | trans | -99.7 | 130.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S32 | S32-A35 PolarHBondContact O-N 3.11Å |
| 36 | R | 69.3 | Low | 56.1 | Low | 9 Ų | 9 | 91.6 Ų | 91.6 | 3% | 0.034 | 53% | 0.526 | C | S | . | . | trans | -70 | 167.2 | 171.2 | -60.9 | -172.2 | -159.5 | -179.7 | 7 | 110.6 | D38 G39 R40 R42 I194 | R36-D38 PolarHBondContact O-N 3.14Å; R36-D38 VanDerWaalsContact O-N 3.13Å; R36-G39 PolarHBondContact O-N 3.34Å; R36-R40 HydrophobicContact CB-CB 4.37Å; R36-R40 VanDerWaalsContact CB-O 3.3Å; R36-R40 WeakPolarHBondContact CB-O 3.47Å; R36-R40 HydrophobicContact CG-CB 4.45Å; R36-R40 VanDerWaalsContact CG-O 3.3Å; R36-R40 WeakPolarHBondContact CG-O 3.27Å; R36-R40 PolarHBondContact N-O 3.47Å; R36-R42 HydrophobicContact CG-CG 4.18Å; R36-I194 PolarHBondContact NH1-O 2.88Å | ||
| 37 | V | 63.7 | Low | 57.7 | Low | 115 Ų | 115 | 86 Ų | 86 | 70% | 0.697 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.9 | 179 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | G39 | V37-G39 VanDerWaalsContact C-N 3.34Š|
| 38 | D | 60 | Low | 59.9 | Low | 81 Ų | 81 | 77.4 Ų | 77.4 | 43% | 0.433 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -0.7 | 178.1 | -55.6 | -25.6 | 0 | 0 | 0 | 114.1 | R36 R40 T197 | R36-D38 PolarHBondContact O-N 3.14Å; R36-D38 VanDerWaalsContact O-N 3.13Å; D38-R40 VanDerWaalsContact C-N 3.34Å; D38-R40 IonicContact OD2-CZ 2.74Å; D38-R40 IonicContact OD2-NE 3.37Å; D38-R40 IonicContact OD2-NH2 3.61Å; D38-R40 PolarHBondContact OD2-NH2 2.99Å; D38-T197 WeakPolarHBondContact OD2-CG2 3.44Å |
| 39 | G | 61.1 | Low | 62.1 | Low | 56 Ų | 56 | 72.9 Ų | 72.9 | 58% | 0.577 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 83.9 | -1.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R36 V37 | R36-G39 PolarHBondContact O-N 3.34Å; V37-G39 VanDerWaalsContact C-N 3.34Å |
| 40 | R | 70.9 | Confident | 64.6 | Low | 22 Ų | 22 | 69.3 Ų | 69.3 | 8% | 0.083 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 144.7 | 171.6 | -69.8 | -178 | -75.7 | 160 | -3.2 | 111 | R36 D38 D46 R48 I194 D195 | R36-R40 HydrophobicContact CB-CB 4.37Å; R36-R40 VanDerWaalsContact CB-O 3.3Å; R36-R40 WeakPolarHBondContact CB-O 3.47Å; R36-R40 HydrophobicContact CG-CB 4.45Å; R36-R40 VanDerWaalsContact CG-O 3.3Å; R36-R40 WeakPolarHBondContact CG-O 3.27Å; R36-R40 PolarHBondContact N-O 3.47Å; D38-R40 VanDerWaalsContact C-N 3.34Å; D38-R40 IonicContact OD2-CZ 2.74Å; D38-R40 IonicContact OD2-NE 3.37Å; D38-R40 IonicContact OD2-NH2 3.61Å; D38-R40 PolarHBondContact OD2-NH2 2.99Å; R40-D46 PolarHBondContact NH1-O 2.99Å; R40-R48 VanDerWaalsContact CZ-CG 3.48Å; R40-I194 PolarHBondContact NH1-O 3.48Å; R40-D195 PolarHBondContact NH1-O 3.13Å; R40-D195 PolarHBondContact NH2-O 3.39Å |
| 41 | Q | 66.2 | Low | 67.2 | Low | 112 Ų | 112 | 68 Ų | 68 | 52% | 0.523 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -80.7 | 145.8 | 177.5 | -70.2 | -175.2 | -15.3 | 0 | 0 | 112.1 | D34 | D34-Q41 WeakPolarHBondContact O-CA 3.4Å |
| 42 | R | 61.5 | Low | 69.8 | Low | 79 Ų | 79 | 66.3 Ų | 66.3 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 135.4 | 170.6 | -64.4 | 174.3 | 173.7 | -126.7 | -10.7 | 108.3 | D34 R36 Q44 E188 L193 | D34-R42 PolarHBondContact O-N 3.4Å; R36-R42 HydrophobicContact CG-CG 4.18Å; R42-Q44 PolarHBondContact O-N 3.39Å; R42-E188 IonicContact CZ-OE2 2.7Å; R42-E188 VanDerWaalsContact CZ-OE2 3.31Å; R42-E188 IonicContact NH1-OE2 3.56Å; R42-E188 PolarHBondContact NH1-OE2 2.99Å; R42-E188 IonicContact NH2-OE2 3.27Å; R42-E188 PolarHBondContact NH2-OE2 2.9Å; R42-L193 HydrophobicContact CG-CD2 4.26Å |
| 43 | G | 58.4 | Low | 72.2 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 68% | 0.68 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -15.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 44 | Q | 65.9 | Low | 74.1 | Confident | 101 Ų | 101 | 59.9 Ų | 59.9 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -81.2 | 134 | 166.7 | -164.2 | 172.5 | 5.4 | 0 | 0 | 109.9 | R42 D46 | R42-Q44 PolarHBondContact O-N 3.39Å; Q44-D46 HydrophobicContact CB-CB 4.47Å; Q44-D46 HydrophobicContact CG-CB 4.22Å; Q44-D46 PolarHBondContact O-N 3Å |
| 45 | V | 67.9 | Low | 75.7 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 13% | 0.127 | 33% | 0.334 | C | S | . | . | trans | -72.9 | 65.8 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | I194 T248 E251 K255 | V45-I194 VanDerWaalsContact CA-CD1 3.45Å; V45-I194 HydrophobicContact CB-CD1 3.6Å; V45-I194 HydrophobicContact CG1-CD1 3.2Å; V45-I194 HydrophobicContact CG2-CD1 3.88Å; V45-T248 HydrophobicContact CG2-CG2 4.33Å; V45-E251 HydrophobicContact CG1-CB 3.94Å; V45-K255 HydrophobicContact CG1-CD 3.99Å; V45-K255 WeakPolarHBondContact O-CD 3.45Å; V45-K255 WeakPolarHBondContact O-CE 3.35Å; V45-K255 PolarHBondContact O-NZ 3.41Å | ||
| 46 | D | 74.8 | Confident | 77.1 | Confident | 63 Ų | 63 | 59.5 Ų | 59.5 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | trans | -110.7 | 124.2 | -175.1 | -157.3 | 23 | 0 | 0 | 0 | 111.4 | R40 Q44 | R40-D46 PolarHBondContact NH1-O 2.99Å; Q44-D46 HydrophobicContact CB-CB 4.47Å; Q44-D46 HydrophobicContact CG-CB 4.22Å; Q44-D46 PolarHBondContact O-N 3Å | ||
| 47 | V | 80.5 | Confident | 78.2 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -95.9 | 149.9 | -178.8 | -171.3 | 0 | 0 | 0 | 0 | 108.2 | I194 D195 L256 | V47-I194 HydrophobicContact CG2-CG2 4.26Å; V47-D195 HydrophobicContact CG1-CB 4.18Å; V47-L256 HydrophobicContact CB-CD2 4.32Å; V47-L256 HydrophobicContact CB-CG 4.5Å; V47-L256 HydrophobicContact CG1-CD1 4.11Å; V47-L256 HydrophobicContact CG1-CD2 3.71Å; V47-L256 HydrophobicContact CG1-CG 4Å; V47-L256 HydrophobicContact CG2-CG 4.32Å |
| 48 | R | 85.6 | Confident | 79.4 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 6% | 0.06 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 159 | 176.5 | -69.8 | 178.4 | -85 | -165 | -12.1 | 111.1 | R40 V50 D154 G155 D195 P196 | R40-R48 VanDerWaalsContact CZ-CG 3.48Å; R48-V50 WeakPolarHBondContact O-CG2 3.46Å; R48-V50 PolarHBondContact O-N 3.33Å; R48-V50 VanDerWaalsContact O-N 3.08Å; R48-D154 PolarHBondContact NH1-O 3.36Å; R48-D154 IonicContact NH1-OD2 2.73Å; R48-G155 PolarHBondContact NH2-O 3.35Å; R48-D195 VanDerWaalsContact CB-OD2 3.24Å; R48-D195 WeakPolarHBondContact CB-OD2 3.43Å; R48-D195 WeakPolarHBondContact CG-OD2 3.38Å; R48-D195 IonicContact CZ-OD1 2.84Å; R48-D195 IonicContact CZ-OD2 3.93Å; R48-D195 PolarHBondContact N-OD2 2.92Å; R48-D195 VanDerWaalsContact N-OD2 3.13Å; R48-D195 IonicContact NE-OD1 3.8Å; R48-D195 PolarHBondContact NE-OD1 3.39Å; R48-D195 IonicContact NE-OD2 3.31Å; R48-D195 PolarHBondContact NE-OD2 2.63Å; R48-D195 IonicContact NH2-OD1 3.72Å; R48-D195 PolarHBondContact NH2-OD1 3Å; R48-D195 IonicContact NH2-OD2 3.32Å; R48-P196 PolarHBondContact NH2-O 3.41Å |
| 49 | S | 86.1 | Confident | 80.9 | Confident | 101 Ų | 101 | 65.4 Ų | 65.4 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 116.9 | 171.4 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | G69 | S49-G69 PolarHBondContact O-N 3.21Š|
| 50 | V | 91.1 | Very high | 82.5 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 16% | 0.158 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.6 | -178.9 | 174.5 | 0 | 0 | 0 | 0 | 110 | R48 V52 I66 E67 A68 L256 | R48-V50 WeakPolarHBondContact O-CG2 3.46Å; R48-V50 PolarHBondContact O-N 3.33Å; R48-V50 VanDerWaalsContact O-N 3.08Å; V50-V52 HydrophobicContact CG1-CG2 3.48Å; V50-V52 VanDerWaalsContact CG1-CG2 3.48Å; V50-I66 HydrophobicContact CG1-CD1 3.99Å; V50-I66 HydrophobicContact CG1-CG1 4.01Å; V50-E67 CarbonylContact C-O 3.6Å; V50-E67 WeakPolarHBondContact CA-O 3.34Å; V50-A68 HydrophobicContact CG2-CB 4.09Å; V50-L256 HydrophobicContact CB-CD2 4.28Å; V50-L256 HydrophobicContact CG2-CD2 3.63Å |
| 51 | F | 94.1 | Very high | 83.6 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.1 | 166.8 | 176.2 | -95.7 | 0 | 0 | 0 | 109.6 | R53 Y65 I66 E67 | F51-R53 HydrophobicContact CE1-CB 4.18Å; F51-R53 HydrophobicContact CZ-CB 4.37Å; F51-Y65 HydrophobicContact CD1-CD1 4.12Å; F51-Y65 AromaticContact CD1-CE1 3.95Å; F51-Y65 HydrophobicContact CD1-CE1 3.95Å; F51-Y65 HydrophobicContact CE1-CD1 4.06Å; F51-Y65 HydrophobicContact CE1-CE1 4.11Å; F51-I66 CarbonylContact O-C 3.47Å; F51-I66 WeakPolarHBondContact O-CA 3.36Å; F51-E67 HydrophobicContact CB-CB 4.26Å; F51-E67 PolarHBondContact N-O 2.97Å; F51-E67 PolarHBondContact O-N 2.81Å |
| 52 | V | 93.9 | Very high | 85 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.9 | -173.5 | 163.7 | 0 | 0 | 0 | 0 | 109.9 | V50 Y65 I66 M167 A263 | V50-V52 HydrophobicContact CG1-CG2 3.48Å; V50-V52 VanDerWaalsContact CG1-CG2 3.48Å; V52-Y65 WeakPolarHBondContact CA-O 3.48Å; V52-I66 HydrophobicContact CG2-CB 4.14Å; V52-I66 HydrophobicContact CG2-CD1 3.82Å; V52-I66 HydrophobicContact CG2-CG1 3.65Å; V52-M167 HydrophobicContact CB-SD 4.37Å; V52-M167 HydrophobicContact CG1-CE 3.1Å; V52-M167 HydrophobicContact CG1-SD 3.17Å; V52-M167 WeakPolarHBondContact CG1-SD 3.43Å; V52-M167 HydrophobicContact CG2-SD 4.28Å; V52-A263 HydrophobicContact CB-CB 4.07Å; V52-A263 HydrophobicContact CG1-CB 3.6Å |
| 53 | R | 93.4 | Very high | 86.6 | Confident | 110 Ų | 110 | 58.9 Ų | 58.9 | 42% | 0.415 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 120.7 | 176.8 | -176.1 | 174.7 | 177.8 | 171.5 | -1.4 | 111.5 | F51 A64 Y65 | F51-R53 HydrophobicContact CE1-CB 4.18Å; F51-R53 HydrophobicContact CZ-CB 4.37Å; R53-A64 CarbonylContact O-C 3.54Å; R53-A64 WeakPolarHBondContact O-CA 3.46Å; R53-Y65 PolarHBondContact N-O 2.78Å; R53-Y65 PolarHBondContact O-N 3.35Å |
| 54 | C | 94.2 | Very high | 88.4 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 158.2 | 169.6 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | S63 M167 D171 A267 | C54-S63 CarbonylContact C-O 3.57Å; C54-S63 WeakPolarHBondContact CA-O 3.44Å; C54-M167 WeakPolarHBondContact SG-CE 3.47Å; C54-D171 HydrophobicContact CB-CB 4.16Å; C54-A267 HydrophobicContact CB-CB 3.79Å |
| 55 | G | 90.3 | Very high | 89.9 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | trans | 67.8 | 39.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S63 D171 | G55-S63 WeakPolarHBondContact CA-OG 3.49Å; G55-S63 PolarHBondContact N-O 3.03Å; G55-D171 WeakPolarHBondContact CA-OD2 2.9Å; G55-D171 PolarHBondContact N-OD2 3.43Å | ||
| 56 | L | 90.4 | Very high | 91.2 | Very high | 76 Ų | 76 | 51.9 Ų | 51.9 | 40% | 0.398 | 28% | 0.278 | S | S | . | . | trans | -77.2 | -39.7 | 178.2 | -170 | 76.4 | 0 | 0 | 0 | 112.1 | S63 Y65 I74 | L56-S63 PolarHBondContact N-OG 3.37Å; L56-Y65 HydrophobicContact CD2-CG 4.43Å; L56-I74 HydrophobicContact CD2-CD1 4.35Å | ||
| 57 | I | 93.1 | Very high | 92.2 | Very high | 49 Ų | 49 | 51.6 Ų | 51.6 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | trans | -102.9 | 120.1 | -173.7 | -63.1 | 169.3 | 0 | 0 | 0 | 108.9 | Q59 A60 S63 I74 C76 | I57-Q59 HydrophobicContact CG2-CB 4.4Å; I57-A60 HydrophobicContact CB-CB 4.47Å; I57-A60 HydrophobicContact CG2-CB 4.03Å; I57-S63 PolarHBondContact N-OG 2.74Å; I57-S63 PolarHBondContact O-OG 2.55Å; I57-I74 HydrophobicContact CD1-CG2 3.48Å; I57-I74 VanDerWaalsContact CD1-CG2 3.48Å; I57-C76 WeakPolarHBondContact CD1-SG 3.44Å | ||
| 58 | S | 88.8 | Confident | 92.7 | Very high | 114 Ų | 114 | 50.7 Ų | 50.7 | 80% | 0.797 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -77.1 | -24.9 | -177.6 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 59 | Q | 91.7 | Very high | 92.9 | Very high | 166 Ų | 166 | 51 Ų | 51 | 78% | 0.776 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -81 | -23.1 | -177.9 | -62.1 | -62.2 | -29.6 | 0 | 0 | 113.1 | I57 | I57-Q59 HydrophobicContact CG2-CB 4.4Š|
| 60 | A | 93.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -88.3 | 150.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I57 G62 C76 Y78 | I57-A60 HydrophobicContact CB-CB 4.47Å; I57-A60 HydrophobicContact CG2-CB 4.03Å; A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 WeakPolarHBondContact CB-O 3.49Å; A60-C76 HydrophobicContact CB-CB 4.15Å; A60-Y78 HydrophobicContact CB-CE1 4.08Å |
| 61 | K | 93.8 | Very high | 93.2 | Very high | 120 Ų | 120 | 49.1 Ų | 49.1 | 52% | 0.522 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -68.4 | -37.8 | 178.6 | -168.3 | -179.5 | -174.6 | -179.6 | 0 | 111.4 | V77 G79 A172 | K61-V77 PolarHBondContact N-O 3.18Å; K61-G79 WeakPolarHBondContact CD-O 3.47Å; K61-G79 PolarHBondContact NZ-O 3.17Å; K61-A172 HydrophobicContact CB-CB 4.47Å; K61-A172 WeakPolarHBondContact CE-O 3.22Å; K61-A172 HydrophobicContact CG-CB 4.38Å |
| 62 | G | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | A60 V77 D171 | A60-G62 VanDerWaalsContact C-N 3.32Å; A60-G62 WeakPolarHBondContact CB-O 3.49Å; G62-V77 PolarHBondContact N-O 2.95Å; G62-V77 PolarHBondContact O-N 3.43Å; G62-D171 WeakPolarHBondContact CA-OD2 3.43Å |
| 63 | S | 96.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.4 | 174.2 | 56 | 0 | 0 | 0 | 0 | 111.3 | C54 G55 L56 I57 C75 D171 | C54-S63 CarbonylContact C-O 3.57Å; C54-S63 WeakPolarHBondContact CA-O 3.44Å; G55-S63 WeakPolarHBondContact CA-OG 3.49Å; G55-S63 PolarHBondContact N-O 3.03Å; L56-S63 PolarHBondContact N-OG 3.37Å; I57-S63 PolarHBondContact N-OG 2.74Å; I57-S63 PolarHBondContact O-OG 2.55Å; S63-C75 CarbonylContact C-O 3.53Å; S63-C75 WeakPolarHBondContact CA-O 3.22Å; S63-C75 WeakPolarHBondContact CB-O 2.87Å; S63-D171 PolarHBondContact N-OD2 3.37Å; S63-D171 VanDerWaalsContact N-OD2 3.11Å |
| 64 | A | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | R53 C75 C164 M167 A168 | R53-A64 CarbonylContact O-C 3.54Å; R53-A64 WeakPolarHBondContact O-CA 3.46Å; A64-C75 PolarHBondContact N-O 2.88Å; A64-C75 PolarHBondContact O-N 3.22Å; A64-C164 WeakPolarHBondContact CB-O 3.42Å; A64-C164 PolarHBondContact O-SG 2.79Å; A64-M167 HydrophobicContact CB-CB 3.89Å; A64-A168 HydrophobicContact CB-CB 3.93Å |
| 65 | Y | 96.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132 | 169.9 | 173.4 | -103.9 | 0 | 0 | 0 | 108.1 | F51 V52 R53 L56 E67 K72 L73 I74 L151 | F51-Y65 HydrophobicContact CD1-CD1 4.12Å; F51-Y65 AromaticContact CD1-CE1 3.95Å; F51-Y65 HydrophobicContact CD1-CE1 3.95Å; F51-Y65 HydrophobicContact CE1-CD1 4.06Å; F51-Y65 HydrophobicContact CE1-CE1 4.11Å; V52-Y65 WeakPolarHBondContact CA-O 3.48Å; R53-Y65 PolarHBondContact N-O 2.78Å; R53-Y65 PolarHBondContact O-N 3.35Å; L56-Y65 HydrophobicContact CD2-CG 4.43Å; Y65-E67 HydrophobicContact CE1-CB 3.93Å; Y65-E67 PolarHBondContact OH-OE2 2.96Å; Y65-K72 HydrophobicContact CE2-CB 4.3Å; Y65-K72 WeakPolarHBondContact OH-CG 3.34Å; Y65-L73 WeakPolarHBondContact CA-O 3.47Å; Y65-L73 VanDerWaalsContact CD2-O 3.24Å; Y65-L73 WeakPolarHBondContact CD2-O 3.22Å; Y65-I74 HydrophobicContact CD2-CD1 4.42Å; Y65-I74 HydrophobicContact CD2-CG1 3.66Å; Y65-I74 HydrophobicContact CE2-CG1 4.35Å; Y65-L151 HydrophobicContact CE2-CD1 4.4Å |
| 66 | I | 95.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140.1 | 174.1 | -172.5 | 163.6 | 0 | 0 | 0 | 109.2 | V50 F51 V52 L73 T163 C164 | V50-I66 HydrophobicContact CG1-CD1 3.99Å; V50-I66 HydrophobicContact CG1-CG1 4.01Å; F51-I66 CarbonylContact O-C 3.47Å; F51-I66 WeakPolarHBondContact O-CA 3.36Å; V52-I66 HydrophobicContact CG2-CB 4.14Å; V52-I66 HydrophobicContact CG2-CD1 3.82Å; V52-I66 HydrophobicContact CG2-CG1 3.65Å; I66-L73 HydrophobicContact CG2-CB 3.68Å; I66-L73 HydrophobicContact CG2-CD1 3.93Å; I66-L73 HydrophobicContact CG2-CG 4.1Å; I66-L73 PolarHBondContact N-O 3.45Å; I66-L73 PolarHBondContact O-N 2.87Å; I66-T163 HydrophobicContact CD1-CG2 4.13Å; I66-C164 HydrophobicContact CB-CB 4.39Å; I66-C164 HydrophobicContact CG2-CB 3.62Å |
| 67 | E | 95.1 | Very high | 94.4 | Very high | 58 Ų | 58 | 36.7 Ų | 36.7 | 27% | 0.271 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 116.5 | 175 | 176.8 | 167.5 | -175 | 0 | 0 | 107.9 | V50 F51 Y65 T71 K72 | V50-E67 CarbonylContact C-O 3.6Å; V50-E67 WeakPolarHBondContact CA-O 3.34Å; F51-E67 HydrophobicContact CB-CB 4.26Å; F51-E67 PolarHBondContact N-O 2.97Å; F51-E67 PolarHBondContact O-N 2.81Å; Y65-E67 HydrophobicContact CE1-CB 3.93Å; Y65-E67 PolarHBondContact OH-OE2 2.96Å; E67-T71 CarbonylContact C-O 3.56Å; E67-T71 VanDerWaalsContact CA-O 3.3Å; E67-T71 WeakPolarHBondContact CA-O 3.17Å; E67-K72 HydrophobicContact CB-CG 4.28Å; E67-K72 HydrophobicContact CG-CG 3.93Å; E67-K72 WeakPolarHBondContact OE1-CE 3.38Å |
| 68 | A | 91.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 97.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | V50 N70 T71 H160 | V50-A68 HydrophobicContact CG2-CB 4.09Å; A68-N70 PolarHBondContact O-N 2.85Å; A68-T71 PolarHBondContact N-O 3.46Å; A68-T71 PolarHBondContact O-N 3.22Å; A68-T71 VanDerWaalsContact O-N 3.07Å; A68-H160 VanDerWaalsContact CB-CE1 3.4Å; A68-H160 WeakPolarHBondContact CB-CE1 3.4Å |
| 69 | G | 89.3 | Confident | 94.3 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 24% | 0.237 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -120.4 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S49 | S49-G69 PolarHBondContact O-N 3.21Š|
| 70 | N | 90.8 | Very high | 94.2 | Very high | 85 Ų | 85 | 26.8 Ų | 26.8 | 46% | 0.455 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -9.7 | 175.6 | -48.3 | -56.7 | 0 | 0 | 0 | 113.3 | A68 K72 E152 D154 | A68-N70 PolarHBondContact O-N 2.85Å; N70-K72 PolarHBondContact O-N 3.36Å; N70-E152 WeakPolarHBondContact O-CB 3.3Å; N70-E152 WeakPolarHBondContact O-CG 3.37Å; N70-D154 HydrophobicContact CB-CB 3.75Å; N70-D154 WeakPolarHBondContact CB-OD2 3.41Å; N70-D154 PolarHBondContact ND2-OD2 3.27Å |
| 71 | T | 93.8 | Very high | 94 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 118.3 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 109.3 | E67 A68 L73 E152 D154 G155 | E67-T71 CarbonylContact C-O 3.56Å; E67-T71 VanDerWaalsContact CA-O 3.3Å; E67-T71 WeakPolarHBondContact CA-O 3.17Å; A68-T71 PolarHBondContact N-O 3.46Å; A68-T71 PolarHBondContact O-N 3.22Å; A68-T71 VanDerWaalsContact O-N 3.07Å; T71-L73 HydrophobicContact CG2-CD2 4.42Å; T71-L73 HydrophobicContact CG2-CG 4.28Å; T71-E152 WeakPolarHBondContact CA-O 3.32Å; T71-D154 VanDerWaalsContact OG1-C 3.25Å; T71-D154 WeakPolarHBondContact OG1-CA 3.46Å; T71-D154 WeakPolarHBondContact OG1-CB 3.48Å; T71-D154 PolarHBondContact OG1-N 3.29Å; T71-G155 PolarHBondContact OG1-O 3.14Å; T71-G155 VanDerWaalsContact OG1-O 3.06Å |
| 72 | K | 96.1 | Very high | 93.7 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 22% | 0.222 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.5 | -177.9 | -67.2 | 171.2 | -171.2 | 138.9 | 0 | 110.7 | Y65 E67 N70 L151 E152 | Y65-K72 HydrophobicContact CE2-CB 4.3Å; Y65-K72 WeakPolarHBondContact OH-CG 3.34Å; E67-K72 HydrophobicContact CB-CG 4.28Å; E67-K72 HydrophobicContact CG-CG 3.93Å; E67-K72 WeakPolarHBondContact OE1-CE 3.38Å; N70-K72 PolarHBondContact O-N 3.36Å; K72-L151 HydrophobicContact CB-CB 4.13Å; K72-L151 WeakPolarHBondContact O-CB 3.48Å; K72-L151 PolarHBondContact O-N 2.88Å; K72-E152 HydrophobicContact CB-CB 4.16Å; K72-E152 HydrophobicContact CD-CB 4.46Å; K72-E152 HydrophobicContact CG-CB 4.49Å; K72-E152 PolarHBondContact N-O 3.07Å; K72-E152 IonicContact NZ-OE2 3.8Å; K72-E152 PolarHBondContact NZ-OE2 3.07Å; K72-E152 PolarHBondContact O-N 3.06Å |
| 73 | L | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.9 | -177.5 | -50.9 | 173.7 | 0 | 0 | 0 | 110.8 | Y65 I66 T71 V150 V157 H160 A161 | Y65-L73 WeakPolarHBondContact CA-O 3.47Å; Y65-L73 VanDerWaalsContact CD2-O 3.24Å; Y65-L73 WeakPolarHBondContact CD2-O 3.22Å; I66-L73 HydrophobicContact CG2-CB 3.68Å; I66-L73 HydrophobicContact CG2-CD1 3.93Å; I66-L73 HydrophobicContact CG2-CG 4.1Å; I66-L73 PolarHBondContact N-O 3.45Å; I66-L73 PolarHBondContact O-N 2.87Å; T71-L73 HydrophobicContact CG2-CD2 4.42Å; T71-L73 HydrophobicContact CG2-CG 4.28Å; L73-V150 HydrophobicContact CD2-CB 3.71Å; L73-V150 HydrophobicContact CD2-CG1 3.59Å; L73-V150 HydrophobicContact CD2-CG2 3.56Å; L73-V157 HydrophobicContact CD2-CG1 4Å; L73-H160 VanDerWaalsContact CD1-C 3.41Å; L73-H160 HydrophobicContact CD1-CB 3.47Å; L73-H160 VanDerWaalsContact CD1-CB 3.47Å; L73-A161 HydrophobicContact CD1-CB 4.15Å; L73-A161 VanDerWaalsContact CD1-N 3.34Å |
| 74 | I | 97 | Very high | 91.9 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 19% | 0.185 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.5 | 168.5 | -70.3 | 178.3 | 0 | 0 | 0 | 108 | L56 I57 Y65 M149 L151 | L56-I74 HydrophobicContact CD2-CD1 4.35Å; I57-I74 HydrophobicContact CD1-CG2 3.48Å; I57-I74 VanDerWaalsContact CD1-CG2 3.48Å; Y65-I74 HydrophobicContact CD2-CD1 4.42Å; Y65-I74 HydrophobicContact CD2-CG1 3.66Å; Y65-I74 HydrophobicContact CE2-CG1 4.35Å; I74-M149 PolarHBondContact N-O 3.04Å; I74-M149 PolarHBondContact O-N 3.35Å; I74-L151 HydrophobicContact CD1-CD1 3.68Å; I74-L151 HydrophobicContact CD1-CG 4.41Å; I74-L151 HydrophobicContact CG1-CD1 3.92Å; I74-L151 HydrophobicContact CG1-CG 4.47Å |
| 75 | C | 97.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 137.7 | 171.1 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | S63 A64 V146 N147 V148 C164 A168 | S63-C75 CarbonylContact C-O 3.53Å; S63-C75 WeakPolarHBondContact CA-O 3.22Å; S63-C75 WeakPolarHBondContact CB-O 2.87Å; A64-C75 PolarHBondContact N-O 2.88Å; A64-C75 PolarHBondContact O-N 3.22Å; C75-V146 VanDerWaalsContact SG-CG1 3.53Å; C75-N147 CarbonylContact C-O 3.56Å; C75-N147 WeakPolarHBondContact CA-O 3.47Å; C75-V148 HydrophobicContact CB-CG2 4.19Å; C75-C164 HydrophobicContact CB-CB 4.21Å; C75-C164 WeakPolarHBondContact CB-SG 3.3Å; C75-A168 HydrophobicContact CB-CB 4Å |
| 76 | C | 97.1 | Very high | 88.9 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 11% | 0.108 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.3 | 174.6 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | I57 A60 Y78 N147 | I57-C76 WeakPolarHBondContact CD1-SG 3.44Å; A60-C76 HydrophobicContact CB-CB 4.15Å; C76-Y78 HydrophobicContact CB-CE2 3.88Å; C76-N147 PolarHBondContact N-O 2.94Å; C76-N147 PolarHBondContact O-N 3.43Å |
| 77 | V | 97.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127 | 173.2 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | K61 G62 I144 E145 V146 A168 L169 A172 I174 | K61-V77 PolarHBondContact N-O 3.18Å; G62-V77 PolarHBondContact N-O 2.95Å; G62-V77 PolarHBondContact O-N 3.43Å; V77-I144 HydrophobicContact CG1-CG2 4.11Å; V77-E145 WeakPolarHBondContact CA-O 3.33Å; V77-V146 HydrophobicContact CG2-CG1 4.21Å; V77-V146 HydrophobicContact CG2-CG2 4.18Å; V77-A168 HydrophobicContact CG2-CB 3.57Å; V77-L169 HydrophobicContact CG1-CD2 3.98Å; V77-L169 HydrophobicContact CG2-CD2 4.03Å; V77-L169 HydrophobicContact CG2-CG 4.24Å; V77-A172 HydrophobicContact CB-CB 4.24Å; V77-A172 HydrophobicContact CG1-CB 3.93Å; V77-I174 HydrophobicContact CG1-CD1 3.6Å |
| 78 | Y | 94.8 | Very high | 86 | Confident | 62 Ų | 62 | 68.4 Ų | 68.4 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 115.9 | 172.3 | -56.7 | -79.6 | 0 | 0 | 0 | 108.7 | A60 C76 E145 | A60-Y78 HydrophobicContact CB-CE1 4.08Å; C76-Y78 HydrophobicContact CB-CE2 3.88Å; Y78-E145 PolarHBondContact N-O 3.12Å; Y78-E145 PolarHBondContact O-N 3.22Å |
| 79 | G | 84.3 | Confident | 84.7 | Confident | 10 Ų | 10 | 73.5 Ų | 73.5 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.3 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K61 | K61-G79 WeakPolarHBondContact CD-O 3.47Å; K61-G79 PolarHBondContact NZ-O 3.17Å |
| 80 | P | 89.9 | Confident | 83.4 | Confident | 48 Ų | 48 | 73.4 Ų | 73.4 | 31% | 0.312 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -71.7 | 130.3 | -12.5 | 25.9 | -27.8 | 0 | 0 | 0 | 111 | Y139 I144 | P80-Y139 HydrophobicContact CB-CD1 4.27Å; P80-Y139 HydrophobicContact CG-CD1 4.13Å; P80-Y139 HydrophobicContact CG-CE1 4.29Å; P80-I144 HydrophobicContact CB-CG1 4.48Å |
| 81 | R | 90.5 | Very high | 82.3 | Confident | 128 Ų | 128 | 73.6 Ų | 73.6 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 150.3 | 172.7 | -69.7 | -179.1 | 176.1 | 167.9 | -1.6 | 109.5 | T83 S142 Q143 E145 | R81-T83 PolarHBondContact O-N 3.24Å; R81-S142 CarbonylContact O-C 3.42Å; R81-S142 VanDerWaalsContact O-CA 3.26Å; R81-S142 WeakPolarHBondContact O-CA 3.38Å; R81-Q143 PolarHBondContact N-O 3.27Å; R81-Q143 PolarHBondContact O-N 2.83Å; R81-E145 IonicContact NH1-OE2 2.55Å; R81-E145 PolarHBondContact NH1-OE2 3.33Å |
| 82 | E | 87.6 | Confident | 81.5 | Confident | 167 Ų | 167 | 82.1 Ų | 82.1 | 78% | 0.78 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 131.6 | 174.7 | -171.1 | 171.6 | -171.8 | 0 | 0 | 110.4 | ||
| 83 | T | 80.8 | Confident | 80.9 | Confident | 16 Ų | 16 | 81.4 Ų | 81.4 | 10% | 0.098 | 39% | 0.386 | C | S | . | . | trans | -78.3 | 127 | 178.9 | -49.5 | 0 | 0 | 0 | 0 | 110.2 | R81 R85 R141 Q143 | R81-T83 PolarHBondContact O-N 3.24Å; T83-R85 VanDerWaalsContact C-N 3.3Å; T83-R85 HydrophobicContact CG2-CB 4.21Å; T83-R85 WeakPolarHBondContact CG2-O 3.45Å; T83-R85 PolarHBondContact O-N 3.19Å; T83-R141 PolarHBondContact N-O 3.38Å; T83-R141 VanDerWaalsContact N-O 3.14Å; T83-Q143 WeakPolarHBondContact OG1-CB 3.35Å | ||
| 84 | E | 71.2 | Confident | 80.4 | Confident | 190 Ų | 190 | 81.6 Ų | 81.6 | 89% | 0.888 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -70.1 | -27.8 | 176.1 | -64.4 | -169.8 | 159.4 | 0 | 0 | 112.9 | ||
| 85 | R | 66.1 | Low | 80.1 | Confident | 173 Ų | 173 | 84 Ų | 84 | 65% | 0.653 | 39% | 0.394 | S | S | * | . | trans | -84.4 | 119.7 | 178.2 | -65.5 | -172.4 | -179 | -176.1 | 1.6 | 110.6 | T83 D87 | T83-R85 VanDerWaalsContact C-N 3.3Å; T83-R85 HydrophobicContact CG2-CB 4.21Å; T83-R85 WeakPolarHBondContact CG2-O 3.45Å; T83-R85 PolarHBondContact O-N 3.19Å; R85-D87 VanDerWaalsContact C-N 3.33Å; R85-D87 PolarHBondContact O-N 3.01Å | ||
| 86 | K | 64.6 | Low | 79.9 | Confident | 178 Ų | 178 | 84.7 Ų | 84.7 | 77% | 0.774 | 40% | 0.398 | S | S | * | . | trans | -94.2 | 60.9 | 178.8 | -65 | 178 | -178.5 | 176.3 | 0 | 110.3 | ||||
| 87 | D | 67.4 | Low | 79.7 | Confident | 80 Ų | 80 | 85.8 Ų | 85.8 | 43% | 0.428 | 40% | 0.403 | S | S | . | . | trans | -74.8 | 142 | 171.2 | -64.3 | -28.1 | 0 | 0 | 0 | 108.9 | R85 T89 D90 | R85-D87 VanDerWaalsContact C-N 3.33Å; R85-D87 PolarHBondContact O-N 3.01Å; D87-T89 PolarHBondContact O-N 3.15Å; D87-D90 PolarHBondContact O-N 3.19Å | ||
| 88 | E | 62.7 | Low | 79.7 | Confident | 172 Ų | 172 | 86.1 Ų | 86.1 | 80% | 0.804 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -60.7 | -31.5 | -174.5 | -68.9 | -171.8 | 158.2 | 0 | 0 | 113.1 | M91 | E88-M91 PolarHBondContact O-N 2.94Š|
| 89 | T | 63.9 | Low | 79.7 | Confident | 107 Ų | 107 | 85.5 Ų | 85.5 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -66.5 | -35.8 | 176.6 | -47.5 | 0 | 0 | 0 | 0 | 112.2 | D87 M91 K92 | D87-T89 PolarHBondContact O-N 3.15Å; T89-M91 PolarHBondContact O-N 3.19Å; T89-K92 PolarHBondContact O-N 3.31Å |
| 90 | D | 62.3 | Low | 80.2 | Confident | 22 Ų | 22 | 85 Ų | 85 | 12% | 0.118 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -72.9 | -10.4 | -177.6 | -70.3 | -13.5 | 0 | 0 | 0 | 112.2 | D87 R95 R141 | D87-D90 PolarHBondContact O-N 3.19Å; D90-R95 IonicContact OD2-NH1 2.93Å; D90-R141 WeakPolarHBondContact O-CA 3.41Å; D90-R141 PolarHBondContact O-N 3.14Å |
| 91 | M | 67.8 | Low | 80.3 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 43% | 0.433 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -76.1 | -24.9 | 176.4 | -61.4 | -158.3 | -176.5 | 0 | 0 | 113.6 | E88 T89 | E88-M91 PolarHBondContact O-N 2.94Å; T89-M91 PolarHBondContact O-N 3.19Å |
| 92 | K | 76.5 | Confident | 80.5 | Confident | 181 Ų | 181 | 84 Ų | 84 | 79% | 0.787 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -27.7 | -175.4 | -65.4 | -175.7 | -177.2 | 176.2 | 0 | 113.7 | T89 | T89-K92 PolarHBondContact O-N 3.31Š|
| 93 | S | 83.7 | Confident | 80.8 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -138.5 | 147.2 | 179.8 | 54 | 0 | 0 | 0 | 0 | 110.4 | ||
| 94 | G | 86 | Confident | 81.3 | Confident | 4 Ų | 4 | 78 Ų | 78 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 155.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L136 Y139 S142 | G94-L136 PolarHBondContact N-O 2.74Å; G94-Y139 WeakPolarHBondContact CA-O 3.44Å; G94-Y139 PolarHBondContact N-O 3.49Å; G94-Y139 VanDerWaalsContact N-O 3.13Å; G94-S142 CarbonylContact C-O 3.54Å; G94-S142 VanDerWaalsContact CA-O 3.29Å; G94-S142 WeakPolarHBondContact CA-O 3.49Å |
| 95 | R | 89.9 | Confident | 82.2 | Confident | 87 Ų | 87 | 76.1 Ų | 76.1 | 33% | 0.328 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 125.8 | 178.6 | -174.8 | 174.9 | 178.5 | 161.7 | 0.8 | 110.1 | D90 I97 S142 Q143 I144 | D90-R95 IonicContact OD2-NH1 2.93Å; R95-I97 HydrophobicContact CG-CG1 4.06Å; R95-S142 PolarHBondContact N-O 3.47Å; R95-Q143 CarbonylContact O-C 3.59Å; R95-Q143 WeakPolarHBondContact O-CA 3.49Å; R95-I144 PolarHBondContact O-N 3.08Å |
| 96 | L | 93 | Very high | 83.4 | Confident | 14 Ų | 14 | 68.3 Ų | 68.3 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.7 | 167.5 | -173 | 64.3 | 0 | 0 | 0 | 108.3 | T98 L127 L130 L136 I144 V146 | L96-T98 HydrophobicContact CD1-CG2 4.41Å; L96-T98 HydrophobicContact CD2-CG2 4.19Å; L96-T98 HydrophobicContact CG-CG2 3.94Å; L96-L127 VanDerWaalsContact O-CD1 3.23Å; L96-L127 WeakPolarHBondContact O-CD1 3.45Å; L96-L130 HydrophobicContact CD2-CB 3.79Å; L96-L136 HydrophobicContact CB-CD1 4.43Å; L96-L136 HydrophobicContact CB-CD2 4.15Å; L96-I144 HydrophobicContact CD1-CB 4.08Å; L96-I144 HydrophobicContact CD1-CG2 3.85Å; L96-V146 HydrophobicContact CD1-CG2 3.76Å |
| 97 | I | 94.1 | Very high | 84.5 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.205 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134 | 169.4 | -57.1 | -166.7 | 0 | 0 | 0 | 107.2 | R95 Q143 I144 E145 V146 | R95-I97 HydrophobicContact CG-CG1 4.06Å; I97-Q143 VanDerWaalsContact CD1-CD 3.44Å; I97-Q143 HydrophobicContact CD1-CG 4.06Å; I97-Q143 HydrophobicContact CG1-CG 4.12Å; I97-I144 PolarHBondContact N-O 2.89Å; I97-E145 HydrophobicContact CB-CG 4.49Å; I97-E145 CarbonylContact O-C 3.54Å; I97-E145 WeakPolarHBondContact O-CA 3.29Å; I97-V146 PolarHBondContact O-N 2.99Å |
| 98 | T | 95.7 | Very high | 85.3 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.043 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.8 | -179.6 | 61.1 | 0 | 0 | 0 | 0 | 109.5 | L96 S123 L126 L127 L130 V146 | L96-T98 HydrophobicContact CD1-CG2 4.41Å; L96-T98 HydrophobicContact CD2-CG2 4.19Å; L96-T98 HydrophobicContact CG-CG2 3.94Å; T98-S123 WeakPolarHBondContact O-CB 3.24Å; T98-S123 PolarHBondContact OG1-O 2.85Å; T98-L126 HydrophobicContact CG2-CD2 3.69Å; T98-L127 HydrophobicContact CG2-CB 4.27Å; T98-L127 HydrophobicContact CG2-CD1 4.44Å; T98-L127 WeakPolarHBondContact OG1-CA 3.5Å; T98-L127 VanDerWaalsContact OG1-CB 3.24Å; T98-L127 WeakPolarHBondContact OG1-CB 3.37Å; T98-L127 PolarHBondContact OG1-N 2.71Å; T98-L130 HydrophobicContact CG2-CD1 4.39Å; T98-V146 CarbonylContact C-O 3.58Å; T98-V146 VanDerWaalsContact CA-O 3.26Å; T98-V146 WeakPolarHBondContact CA-O 3.37Å; T98-V146 HydrophobicContact CG2-CB 4.02Å; T98-V146 HydrophobicContact CG2-CG2 4.3Å |
| 99 | D | 95.3 | Very high | 86.4 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.2 | 176.2 | -79.7 | -6.7 | 0 | 0 | 0 | 108.8 | R101 V146 N147 V148 | D99-R101 IonicContact OD2-NH2 2.8Å; D99-V146 PolarHBondContact N-O 3.13Å; D99-N147 CarbonylContact O-C 3.55Å; D99-N147 WeakPolarHBondContact O-CA 3.26Å; D99-V148 PolarHBondContact O-N 3.23Å |
| 100 | M | 94.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.9 | 170 | -171.9 | 168.6 | 175.5 | 0 | 0 | 109.3 | F102 Q115 L122 S123 V148 V150 V157 A161 | M100-F102 HydrophobicContact CE-CE2 4Å; M100-F102 HydrophobicContact CE-CZ 3.79Å; M100-Q115 PolarHBondContact O-NE2 2.99Å; M100-L122 HydrophobicContact CE-CD1 4.2Å; M100-L122 HydrophobicContact SD-CB 3.65Å; M100-L122 HydrophobicContact SD-CD1 4.23Å; M100-L122 HydrophobicContact SD-CG 4.45Å; M100-S123 WeakPolarHBondContact CB-OG 3.21Å; M100-S123 PolarHBondContact N-OG 2.82Å; M100-S123 PolarHBondContact O-OG 3.16Å; M100-V148 HydrophobicContact CG-CB 4.49Å; M100-V150 HydrophobicContact CE-CG2 3.66Å; M100-V157 HydrophobicContact CE-CB 4.16Å; M100-V157 HydrophobicContact CE-CG1 3.32Å; M100-A161 HydrophobicContact CE-CB 4.11Å; M100-A161 HydrophobicContact SD-CB 4.22Å |
| 101 | R | 93.7 | Very high | 88.4 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.4 | 178.3 | -65.8 | -170.7 | -174.1 | 173.7 | 6.6 | 111.1 | D99 V148 M149 V150 | D99-R101 IonicContact OD2-NH2 2.8Å; R101-V148 PolarHBondContact N-O 3.41Å; R101-M149 HydrophobicContact CB-CE 4.07Å; R101-M149 HydrophobicContact CB-SD 4.2Å; R101-M149 WeakPolarHBondContact O-CA 3.23Å; R101-V150 PolarHBondContact O-N 2.91Å |
| 102 | F | 94.1 | Very high | 89.1 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133.9 | 171.5 | -68.1 | -105.2 | 0 | 0 | 0 | 109.6 | M100 E119 L122 V150 V157 | M100-F102 HydrophobicContact CE-CE2 4Å; M100-F102 HydrophobicContact CE-CZ 3.79Å; F102-E119 VanDerWaalsContact CB-OE1 3.27Å; F102-E119 WeakPolarHBondContact CB-OE1 3.22Å; F102-E119 HydrophobicContact CD2-CG 3.72Å; F102-E119 WeakPolarHBondContact CD2-OE1 3.27Å; F102-E119 HydrophobicContact CE2-CG 4.2Å; F102-E119 PolarHBondContact N-OE1 3.47Å; F102-L122 HydrophobicContact CE2-CD1 3.63Å; F102-L122 HydrophobicContact CZ-CD1 3.75Å; F102-V150 HydrophobicContact CD1-CB 3.66Å; F102-V150 HydrophobicContact CD1-CG1 3.7Å; F102-V150 HydrophobicContact CD1-CG2 3.79Å; F102-V150 HydrophobicContact CD2-CG2 4.35Å; F102-V150 HydrophobicContact CE1-CB 4.04Å; F102-V150 HydrophobicContact CE1-CG1 3.87Å; F102-V150 HydrophobicContact CE1-CG2 3.76Å; F102-V150 HydrophobicContact CE2-CG2 4.33Å; F102-V150 HydrophobicContact CG-CB 4.11Å; F102-V150 HydrophobicContact CG-CG2 4.11Å; F102-V150 HydrophobicContact CZ-CG2 4.05Å; F102-V157 HydrophobicContact CE1-CG1 4.01Å; F102-V157 HydrophobicContact CE1-CG2 4.38Å; F102-V157 HydrophobicContact CZ-CG1 4.09Å |
| 103 | A | 93.2 | Very high | 89.3 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 5% | 0.05 | 31% | 0.305 | C | S | . | . | trans | -63.1 | 142.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | F105 S106 M149 V150 | A103-F105 HydrophobicContact CB-CD1 4.22Å; A103-F105 HydrophobicContact CB-CD2 4.19Å; A103-F105 HydrophobicContact CB-CE1 3.85Å; A103-F105 HydrophobicContact CB-CE2 3.81Å; A103-F105 HydrophobicContact CB-CG 4.39Å; A103-F105 HydrophobicContact CB-CZ 3.62Å; A103-F105 PolarHBondContact O-N 3.14Å; A103-S106 VanDerWaalsContact O-CB 3.28Å; A103-S106 WeakPolarHBondContact O-CB 3.32Å; A103-S106 PolarHBondContact O-N 2.89Å; A103-S106 PolarHBondContact O-OG 3.11Å; A103-M149 HydrophobicContact CB-SD 4.24Å; A103-V150 WeakPolarHBondContact CB-O 3.48Å; A103-V150 PolarHBondContact N-O 2.74Å | ||
| 104 | P | 91.1 | Very high | 89.4 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21.5 | -178 | -28 | 35.1 | 0 | 0 | 0 | 114.5 | R110 G111 | P104-R110 HydrophobicContact CB-CG 4.4Å; P104-R110 WeakPolarHBondContact O-CA 3.14Å; P104-R110 WeakPolarHBondContact O-CG 3.36Å; P104-G111 PolarHBondContact O-N 3.33Å |
| 105 | F | 91.8 | Very high | 89.2 | Confident | 152 Ų | 152 | 68.9 Ų | 68.9 | 67% | 0.667 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 0.9 | 178.8 | 56.4 | -103.1 | 0 | 0 | 0 | 113.9 | A103 L151 | A103-F105 HydrophobicContact CB-CD1 4.22Å; A103-F105 HydrophobicContact CB-CD2 4.19Å; A103-F105 HydrophobicContact CB-CE1 3.85Å; A103-F105 HydrophobicContact CB-CE2 3.81Å; A103-F105 HydrophobicContact CB-CG 4.39Å; A103-F105 HydrophobicContact CB-CZ 3.62Å; A103-F105 PolarHBondContact O-N 3.14Å; F105-L151 WeakPolarHBondContact CE2-O 2.89Å |
| 106 | S | 90.7 | Very high | 89.1 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 6% | 0.056 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -74.4 | -31.4 | -172.3 | 61.2 | 0 | 0 | 0 | 0 | 114 | A103 V150 L151 N153 | A103-S106 VanDerWaalsContact O-CB 3.28Å; A103-S106 WeakPolarHBondContact O-CB 3.32Å; A103-S106 PolarHBondContact O-N 2.89Å; A103-S106 PolarHBondContact O-OG 3.11Å; S106-V150 WeakPolarHBondContact CB-O 3.48Å; S106-L151 VanDerWaalsContact CA-O 3.22Å; S106-L151 WeakPolarHBondContact CA-O 3.44Å; S106-L151 VanDerWaalsContact CB-O 3.22Å; S106-L151 WeakPolarHBondContact CB-O 3.15Å; S106-N153 PolarHBondContact O-N 3.48Å |
| 107 | C | 87.4 | Confident | 89 | Confident | 42 Ų | 42 | 69.5 Ų | 69.5 | 28% | 0.284 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -101.7 | 161.5 | 179.4 | -68.4 | 0 | 0 | 0 | 0 | 110.8 | E109 | C107-E109 CarbonylContact C-O 3.59Å; C107-E109 WeakPolarHBondContact CB-O 3.22Å; C107-E109 PolarHBondContact O-N 3.49Å |
| 108 | R | 84.1 | Confident | 88.8 | Confident | 155 Ų | 155 | 73 Ų | 73 | 59% | 0.585 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -58.3 | -35.3 | 173.6 | -65.3 | -173.6 | 179.7 | 179.3 | 0.2 | 112.4 | F198 | R108-F198 HydrophobicContact CG-CE1 4.29Š|
| 109 | E | 85.8 | Confident | 88.6 | Confident | 104 Ų | 104 | 73.8 Ų | 73.8 | 49% | 0.486 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -96 | 136 | 170.3 | -57.6 | -158.3 | 140 | 0 | 0 | 109.5 | S16 C107 G111 | S16-E109 PolarHBondContact OG-OE1 2.82Å; C107-E109 CarbonylContact C-O 3.59Å; C107-E109 WeakPolarHBondContact CB-O 3.22Å; C107-E109 PolarHBondContact O-N 3.49Å; E109-G111 PolarHBondContact O-N 2.9Å; E109-G111 VanDerWaalsContact O-N 3.13Å |
| 110 | R | 86 | Confident | 88.5 | Confident | 202 Ų | 202 | 76.5 Ų | 76.5 | 76% | 0.762 | 38% | 0.38 | S | S | * | . | trans | -67.6 | 115.1 | 179.8 | -175.4 | 179 | -177 | 167.2 | 2.3 | 109.2 | P104 | P104-R110 HydrophobicContact CB-CG 4.4Å; P104-R110 WeakPolarHBondContact O-CA 3.14Å; P104-R110 WeakPolarHBondContact O-CG 3.36Å | ||
| 111 | G | 82.4 | Confident | 88.5 | Confident | 34 Ų | 34 | 80.3 Ų | 80.3 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | trans | -65.6 | 149.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P104 E109 | P104-G111 PolarHBondContact O-N 3.33Å; E109-G111 PolarHBondContact O-N 2.9Å; E109-G111 VanDerWaalsContact O-N 3.13Å | ||
| 112 | S | 82.5 | Confident | 88.5 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | trans | -63.6 | 154.5 | 164 | -173 | 0 | 0 | 0 | 0 | 109.4 | I114 | S112-I114 VanDerWaalsContact C-N 3.33Å; S112-I114 PolarHBondContact OG-N 2.81Å | ||
| 113 | W | 79.9 | Confident | 88.6 | Confident | 129 Ų | 129 | 75 Ų | 75 | 49% | 0.489 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -73.6 | -32.3 | 171.9 | 111.3 | 80.2 | 0 | 0 | 0 | 112 | D4 R7 Q115 | D4-W113 WeakPolarHBondContact OD2-CH2 3.28Å; D4-W113 WeakPolarHBondContact OD2-CZ3 3.48Å; R7-W113 VanDerWaalsContact CZ-CD1 3.42Å; R7-W113 VanDerWaalsContact NH2-CD2 3.34Å; R7-W113 VanDerWaalsContact NH2-CE2 3.31Å; W113-Q115 PolarHBondContact O-N 2.96Å |
| 114 | I | 85.5 | Confident | 88.7 | Confident | 94 Ų | 94 | 79.4 Ų | 79.4 | 48% | 0.482 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -68.2 | 132.9 | -178.6 | -57.8 | 174.2 | 0 | 0 | 0 | 105.3 | S112 G116 | S112-I114 VanDerWaalsContact C-N 3.33Å; S112-I114 PolarHBondContact OG-N 2.81Å; I114-G116 PolarHBondContact O-N 2.94Å |
| 115 | Q | 83.5 | Confident | 88.9 | Confident | 40 Ų | 40 | 78.8 Ų | 78.8 | 19% | 0.187 | 40% | 0.398 | C | S | . | . | trans | -55.6 | 114.2 | 173.7 | -165.5 | -177.4 | 22.7 | 0 | 0 | 109.4 | M100 W113 E119 K120 S123 | M100-Q115 PolarHBondContact O-NE2 2.99Å; W113-Q115 PolarHBondContact O-N 2.96Å; Q115-E119 WeakPolarHBondContact CA-OE2 3.17Å; Q115-E119 HydrophobicContact CG-CB 3.58Å; Q115-E119 HydrophobicContact CG-CG 4.48Å; Q115-E119 WeakPolarHBondContact CG-OE2 3.37Å; Q115-K120 HydrophobicContact CG-CG 3.88Å; Q115-S123 PolarHBondContact NE2-OG 3.06Å | ||
| 116 | G | 87.5 | Confident | 89.1 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | trans | -67.1 | 177 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I114 D118 K120 | I114-G116 PolarHBondContact O-N 2.94Å; G116-D118 VanDerWaalsContact C-N 3.33Å; G116-K120 WeakPolarHBondContact O-CG 3.34Å; G116-K120 PolarHBondContact O-N 3.08Å | ||
| 117 | S | 90.9 | Very high | 89.4 | Confident | 79 Ų | 79 | 73 Ų | 73 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58.2 | -49.1 | 167.8 | 41.6 | 0 | 0 | 0 | 0 | 110.6 | E119 K120 D121 | S117-E119 VanDerWaalsContact C-N 3.31Å; S117-E119 PolarHBondContact O-N 3.13Å; S117-K120 WeakPolarHBondContact O-CA 3.31Å; S117-K120 WeakPolarHBondContact O-CB 3.45Å; S117-K120 PolarHBondContact O-N 3.46Å; S117-D121 PolarHBondContact O-N 2.81Å |
| 118 | D | 89.1 | Confident | 89.8 | Confident | 114 Ų | 114 | 77 Ų | 77 | 61% | 0.61 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65 | -37.8 | -170.6 | -48.3 | -5 | 0 | 0 | 0 | 111.2 | G116 K120 D121 L122 | G116-D118 VanDerWaalsContact C-N 3.33Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.84Å; D118-D121 PolarHBondContact O-N 2.84Å; D118-L122 WeakPolarHBondContact O-CB 3.46Å; D118-L122 VanDerWaalsContact O-CG 3.27Å; D118-L122 WeakPolarHBondContact O-CG 3.3Å; D118-L122 PolarHBondContact O-N 3.37Å |
| 119 | E | 92.1 | Very high | 90.3 | Very high | 23 Ų | 23 | 70 Ų | 70 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.9 | -34.7 | 174.7 | -57.9 | -163.8 | 155.7 | 0 | 0 | 112.3 | F102 Q115 S117 S123 | F102-E119 VanDerWaalsContact CB-OE1 3.27Å; F102-E119 WeakPolarHBondContact CB-OE1 3.22Å; F102-E119 HydrophobicContact CD2-CG 3.72Å; F102-E119 WeakPolarHBondContact CD2-OE1 3.27Å; F102-E119 HydrophobicContact CE2-CG 4.2Å; F102-E119 PolarHBondContact N-OE1 3.47Å; Q115-E119 WeakPolarHBondContact CA-OE2 3.17Å; Q115-E119 HydrophobicContact CG-CB 3.58Å; Q115-E119 HydrophobicContact CG-CG 4.48Å; Q115-E119 WeakPolarHBondContact CG-OE2 3.37Å; S117-E119 VanDerWaalsContact C-N 3.31Å; S117-E119 PolarHBondContact O-N 3.13Å; E119-S123 WeakPolarHBondContact O-CB 3.22Å; E119-S123 PolarHBondContact O-N 2.95Å; E119-S123 PolarHBondContact O-OG 3.41Å |
| 120 | K | 93.3 | Very high | 90.8 | Very high | 107 Ų | 107 | 65.1 Ų | 65.1 | 47% | 0.465 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.8 | -40.7 | 175.5 | -69.9 | 175.7 | -175.8 | 177.9 | 0 | 111.1 | Q115 G116 S117 D118 S123 L124 | Q115-K120 HydrophobicContact CG-CG 3.88Å; G116-K120 WeakPolarHBondContact O-CG 3.34Å; G116-K120 PolarHBondContact O-N 3.08Å; S117-K120 WeakPolarHBondContact O-CA 3.31Å; S117-K120 WeakPolarHBondContact O-CB 3.45Å; S117-K120 PolarHBondContact O-N 3.46Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.84Å; K120-S123 VanDerWaalsContact O-CB 3.3Å; K120-S123 WeakPolarHBondContact O-CB 3.38Å; K120-S123 PolarHBondContact O-N 3.45Å; K120-S123 VanDerWaalsContact O-N 3.16Å; K120-L124 WeakPolarHBondContact O-CG 3.17Å; K120-L124 PolarHBondContact O-N 2.84Å |
| 121 | D | 94.3 | Very high | 91.1 | Very high | 79 Ų | 79 | 62.8 Ų | 62.8 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 177.8 | -63.6 | -21 | 0 | 0 | 0 | 110.2 | S117 D118 S123 L124 M125 | S117-D121 PolarHBondContact O-N 2.81Å; D118-D121 PolarHBondContact O-N 2.84Å; D121-S123 VanDerWaalsContact C-N 3.29Å; D121-S123 PolarHBondContact O-N 3.34Å; D121-L124 WeakPolarHBondContact O-CB 3.4Å; D121-L124 PolarHBondContact O-N 3.46Å; D121-L124 VanDerWaalsContact O-N 3.13Å; D121-M125 HydrophobicContact CB-CE 4.21Å; D121-M125 WeakPolarHBondContact O-CG 3.4Å; D121-M125 PolarHBondContact O-N 3.47Å |
| 122 | L | 94.1 | Very high | 91.7 | Very high | 36 Ų | 36 | 64 Ų | 64 | 19% | 0.188 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 173 | -70.3 | 170.6 | 0 | 0 | 0 | 112.8 | M100 F102 D118 L124 M125 L126 L158 | M100-L122 HydrophobicContact CE-CD1 4.2Å; M100-L122 HydrophobicContact SD-CB 3.65Å; M100-L122 HydrophobicContact SD-CD1 4.23Å; M100-L122 HydrophobicContact SD-CG 4.45Å; F102-L122 HydrophobicContact CE2-CD1 3.63Å; F102-L122 HydrophobicContact CZ-CD1 3.75Å; D118-L122 WeakPolarHBondContact O-CB 3.46Å; D118-L122 VanDerWaalsContact O-CG 3.27Å; D118-L122 WeakPolarHBondContact O-CG 3.3Å; D118-L122 PolarHBondContact O-N 3.37Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L122-M125 HydrophobicContact CD2-SD 4.16Å; L122-M125 PolarHBondContact O-N 2.81Å; L122-L126 VanDerWaalsContact O-CB 3.31Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.9Å; L122-L158 HydrophobicContact CD2-CB 4.12Å; L122-L158 HydrophobicContact CD2-CD1 4.13Å; L122-L158 HydrophobicContact CD2-CD2 4.28Å; L122-L158 HydrophobicContact CD2-CG 4.41Å |
| 123 | S | 95.6 | Very high | 92.1 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63 | -41.1 | 174.6 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | T98 M100 Q115 E119 K120 D121 L126 L127 | T98-S123 WeakPolarHBondContact O-CB 3.24Å; T98-S123 PolarHBondContact OG1-O 2.85Å; M100-S123 WeakPolarHBondContact CB-OG 3.21Å; M100-S123 PolarHBondContact N-OG 2.82Å; M100-S123 PolarHBondContact O-OG 3.16Å; Q115-S123 PolarHBondContact NE2-OG 3.06Å; E119-S123 WeakPolarHBondContact O-CB 3.22Å; E119-S123 PolarHBondContact O-N 2.95Å; E119-S123 PolarHBondContact O-OG 3.41Å; K120-S123 VanDerWaalsContact O-CB 3.3Å; K120-S123 WeakPolarHBondContact O-CB 3.38Å; K120-S123 PolarHBondContact O-N 3.45Å; K120-S123 VanDerWaalsContact O-N 3.16Å; D121-S123 VanDerWaalsContact C-N 3.29Å; D121-S123 PolarHBondContact O-N 3.34Å; S123-L126 PolarHBondContact O-N 3.33Å; S123-L127 PolarHBondContact O-N 2.88Å |
| 124 | L | 95.4 | Very high | 92.8 | Very high | 99 Ų | 99 | 54.4 Ų | 54.4 | 52% | 0.518 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 176 | -69.2 | 172.1 | 0 | 0 | 0 | 111.7 | K120 D121 L122 L126 L127 E128 | K120-L124 WeakPolarHBondContact O-CG 3.17Å; K120-L124 PolarHBondContact O-N 2.84Å; D121-L124 WeakPolarHBondContact O-CB 3.4Å; D121-L124 PolarHBondContact O-N 3.46Å; D121-L124 VanDerWaalsContact O-N 3.13Å; L122-L124 VanDerWaalsContact C-N 3.34Å; L124-L126 VanDerWaalsContact C-N 3.26Å; L124-L126 PolarHBondContact O-N 2.93Å; L124-L127 VanDerWaalsContact O-CB 3.29Å; L124-L127 WeakPolarHBondContact O-CB 3.44Å; L124-L127 PolarHBondContact O-N 2.83Å; L124-L127 VanDerWaalsContact O-N 3.13Å; L124-E128 WeakPolarHBondContact O-CG 3.27Å; L124-E128 PolarHBondContact O-N 3.04Å |
| 125 | M | 95.4 | Very high | 93.2 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -39.3 | 175.7 | -66.4 | 171.9 | -159.7 | 0 | 0 | 111.7 | D121 L122 S129 L158 Q232 | D121-M125 HydrophobicContact CB-CE 4.21Å; D121-M125 WeakPolarHBondContact O-CG 3.4Å; D121-M125 PolarHBondContact O-N 3.47Å; L122-M125 HydrophobicContact CD2-SD 4.16Å; L122-M125 PolarHBondContact O-N 2.81Å; M125-S129 VanDerWaalsContact O-CB 3.26Å; M125-S129 WeakPolarHBondContact O-CB 3.24Å; M125-S129 PolarHBondContact O-N 3.14Å; M125-S129 PolarHBondContact O-OG 3.1Å; M125-L158 HydrophobicContact CB-CD1 4.03Å; M125-L158 HydrophobicContact CB-CD2 4.08Å; M125-L158 HydrophobicContact SD-CD2 3.74Å; M125-Q232 VanDerWaalsContact CE-CD 3.48Å; M125-Q232 HydrophobicContact CE-CG 4.27Å; M125-Q232 HydrophobicContact SD-CB 4.44Å; M125-Q232 VanDerWaalsContact SD-CD 3.59Å; M125-Q232 HydrophobicContact SD-CG 3.86Å |
| 126 | L | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 176.4 | -166.3 | 150.5 | 0 | 0 | 0 | 111.3 | T98 L122 S123 L124 S129 L130 V148 L158 A161 V162 A165 | T98-L126 HydrophobicContact CG2-CD2 3.69Å; L122-L126 VanDerWaalsContact O-CB 3.31Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.9Å; S123-L126 PolarHBondContact O-N 3.33Å; L124-L126 VanDerWaalsContact C-N 3.26Å; L124-L126 PolarHBondContact O-N 2.93Å; L126-S129 PolarHBondContact O-N 2.82Å; L126-L130 HydrophobicContact CD2-CD1 3.4Å; L126-L130 VanDerWaalsContact CD2-CD1 3.4Å; L126-L130 HydrophobicContact CD2-CG 4.22Å; L126-L130 HydrophobicContact CG-CD1 4.32Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.41Å; L126-V148 HydrophobicContact CD1-CG2 3.89Å; L126-L158 HydrophobicContact CB-CD1 4.48Å; L126-A161 HydrophobicContact CD1-CB 3.7Å; L126-V162 HydrophobicContact CG-CG2 4.36Å; L126-A165 HydrophobicContact CD2-CB 4.28Å |
| 127 | L | 96 | Very high | 93.8 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 20% | 0.199 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.4 | -51.3 | 173.8 | -172.5 | 126.8 | 0 | 0 | 0 | 111.5 | L96 T98 S123 L124 S129 L130 R131 | L96-L127 VanDerWaalsContact O-CD1 3.23Å; L96-L127 WeakPolarHBondContact O-CD1 3.45Å; T98-L127 HydrophobicContact CG2-CB 4.27Å; T98-L127 HydrophobicContact CG2-CD1 4.44Å; T98-L127 WeakPolarHBondContact OG1-CA 3.5Å; T98-L127 VanDerWaalsContact OG1-CB 3.24Å; T98-L127 WeakPolarHBondContact OG1-CB 3.37Å; T98-L127 PolarHBondContact OG1-N 2.71Å; S123-L127 PolarHBondContact O-N 2.88Å; L124-L127 VanDerWaalsContact O-CB 3.29Å; L124-L127 WeakPolarHBondContact O-CB 3.44Å; L124-L127 PolarHBondContact O-N 2.83Å; L124-L127 VanDerWaalsContact O-N 3.13Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 2.9Å; L127-L130 PolarHBondContact O-N 3.47Å; L127-R131 WeakPolarHBondContact O-CB 3.32Å; L127-R131 PolarHBondContact O-N 2.67Å |
| 128 | E | 95.3 | Very high | 93.8 | Very high | 125 Ų | 125 | 57.1 Ų | 57.1 | 58% | 0.584 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | 179.8 | -70.3 | 178.9 | 174.3 | 0 | 0 | 111.4 | L124 L130 P132 | L124-E128 WeakPolarHBondContact O-CG 3.27Å; L124-E128 PolarHBondContact O-N 3.04Å; E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 2.89Å; E128-P132 VanDerWaalsContact O-CD 3.25Å; E128-P132 WeakPolarHBondContact O-CD 3.35Å |
| 129 | S | 95.7 | Very high | 93.8 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.8 | -22.6 | 177.8 | -61.1 | 0 | 0 | 0 | 0 | 114.4 | M125 L126 L127 V180 S229 | M125-S129 VanDerWaalsContact O-CB 3.26Å; M125-S129 WeakPolarHBondContact O-CB 3.24Å; M125-S129 PolarHBondContact O-N 3.14Å; M125-S129 PolarHBondContact O-OG 3.1Å; L126-S129 PolarHBondContact O-N 2.82Å; L127-S129 VanDerWaalsContact C-N 3.28Å; L127-S129 PolarHBondContact O-N 2.9Å; S129-V180 WeakPolarHBondContact O-CG1 3.48Å; S129-S229 VanDerWaalsContact C-OG 3.24Å; S129-S229 WeakPolarHBondContact CA-OG 3.4Å; S129-S229 PolarHBondContact O-OG 2.87Å |
| 130 | L | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -100.5 | -24.9 | 179.6 | -69.1 | 178.3 | 0 | 0 | 0 | 113 | L96 T98 L126 L127 E128 G133 V134 V162 A165 L169 V180 | L96-L130 HydrophobicContact CD2-CB 3.79Å; T98-L130 HydrophobicContact CG2-CD1 4.39Å; L126-L130 HydrophobicContact CD2-CD1 3.4Å; L126-L130 VanDerWaalsContact CD2-CD1 3.4Å; L126-L130 HydrophobicContact CD2-CG 4.22Å; L126-L130 HydrophobicContact CG-CD1 4.32Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 3.41Å; L127-L130 PolarHBondContact O-N 3.47Å; E128-L130 VanDerWaalsContact C-N 3.35Å; E128-L130 PolarHBondContact O-N 2.89Å; L130-G133 PolarHBondContact O-N 3.21Å; L130-G133 VanDerWaalsContact O-N 3.08Å; L130-V134 WeakPolarHBondContact O-CG2 3.17Å; L130-V134 PolarHBondContact O-N 3.44Å; L130-V162 HydrophobicContact CD2-CG1 4.37Å; L130-A165 HydrophobicContact CD1-CB 3.58Å; L130-A165 HydrophobicContact CD2-CB 4.4Å; L130-L169 HydrophobicContact CD1-CD1 4.2Å; L130-L169 HydrophobicContact CD2-CD1 4.35Å; L130-V180 HydrophobicContact CD2-CB 4.06Å; L130-V180 HydrophobicContact CD2-CG2 4.03Å |
| 131 | R | 93.6 | Very high | 93.4 | Very high | 152 Ų | 152 | 57.4 Ų | 57.4 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -46.4 | -175.7 | -175.5 | 174.5 | -177 | 145 | 2.2 | 114.6 | L127 G133 L136 | L127-R131 WeakPolarHBondContact O-CB 3.32Å; L127-R131 PolarHBondContact O-N 2.67Å; R131-G133 VanDerWaalsContact C-N 3.32Å; R131-L136 HydrophobicContact CG-CD1 4.26Å |
| 132 | P | 93.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -17.6 | -179 | 32.2 | -35.7 | 0 | 0 | 0 | 113 | E128 Y177 S229 | E128-P132 VanDerWaalsContact O-CD 3.25Å; E128-P132 WeakPolarHBondContact O-CD 3.35Å; P132-Y177 WeakPolarHBondContact O-CD2 3.39Å; P132-S229 VanDerWaalsContact CD-OG 3.3Å; P132-S229 WeakPolarHBondContact CD-OG 3.03Å; P132-S229 WeakPolarHBondContact CG-OG 3.38Å |
| 133 | G | 92.4 | Very high | 93 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -28.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L130 R131 M176 Y177 | L130-G133 PolarHBondContact O-N 3.21Å; L130-G133 VanDerWaalsContact O-N 3.08Å; R131-G133 VanDerWaalsContact C-N 3.32Å; G133-M176 CarbonylContact O-C 3.59Å; G133-M176 WeakPolarHBondContact O-CA 3.33Å; G133-M176 VanDerWaalsContact O-CB 3.27Å; G133-M176 WeakPolarHBondContact O-CB 3.26Å; G133-Y177 PolarHBondContact O-N 3.42Å |
| 134 | V | 94.7 | Very high | 93 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -96.5 | 134.2 | -172.6 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | L130 L136 L169 I174 M176 | L130-V134 WeakPolarHBondContact O-CG2 3.17Å; L130-V134 PolarHBondContact O-N 3.44Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 HydrophobicContact CB-CD2 4.41Å; V134-L136 HydrophobicContact CB-CG 4.42Å; V134-L136 HydrophobicContact CG1-CD2 3.77Å; V134-L136 HydrophobicContact CG1-CG 4.16Å; V134-L136 PolarHBondContact O-N 2.86Å; V134-L169 HydrophobicContact CG2-CD1 3.75Å; V134-I174 HydrophobicContact CG1-CG2 3.94Å; V134-M176 HydrophobicContact CG2-CG 4.16Å; V134-M176 HydrophobicContact CG2-SD 4.17Å |
| 135 | C | 93.6 | Very high | 93 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.054 | 24% | 0.244 | C | C | . | . | trans | -77.9 | 64.7 | 177.9 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | Q137 K138 E175 Y177 | C135-Q137 PolarHBondContact O-N 2.77Å; C135-Q137 VanDerWaalsContact O-N 3.11Å; C135-K138 HydrophobicContact CB-CD 4.25Å; C135-K138 HydrophobicContact CB-CG 4.41Å; C135-K138 PolarHBondContact O-N 2.86Å; C135-K138 VanDerWaalsContact O-N 3.14Å; C135-E175 HydrophobicContact CB-CB 4.18Å; C135-E175 WeakPolarHBondContact CB-O 3.16Å; C135-E175 PolarHBondContact N-O 3.17Å; C135-Y177 HydrophobicContact CB-CE2 4.43Å; C135-Y177 VanDerWaalsContact SG-CE2 3.53Å | ||
| 136 | L | 91.2 | Very high | 93.1 | Very high | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.115 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -59.8 | -25.7 | -175.3 | -65 | 175.1 | 0 | 0 | 0 | 114.2 | G94 L96 R131 V134 K138 Y139 I144 | G94-L136 PolarHBondContact N-O 2.74Å; L96-L136 HydrophobicContact CB-CD1 4.43Å; L96-L136 HydrophobicContact CB-CD2 4.15Å; R131-L136 HydrophobicContact CG-CD1 4.26Å; V134-L136 VanDerWaalsContact C-N 3.26Å; V134-L136 HydrophobicContact CB-CD2 4.41Å; V134-L136 HydrophobicContact CB-CG 4.42Å; V134-L136 HydrophobicContact CG1-CD2 3.77Å; V134-L136 HydrophobicContact CG1-CG 4.16Å; V134-L136 PolarHBondContact O-N 2.86Å; L136-K138 PolarHBondContact O-N 2.86Å; L136-Y139 PolarHBondContact O-N 3.36Å; L136-Y139 VanDerWaalsContact O-N 3.16Å; L136-I144 HydrophobicContact CD2-CD1 4.46Å |
| 137 | Q | 91.2 | Very high | 93.1 | Very high | 149 Ų | 149 | 52.4 Ų | 52.4 | 70% | 0.696 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -62 | -25.2 | 178.4 | -65.6 | -179.1 | -13.2 | 0 | 0 | 113.4 | C135 Y139 | C135-Q137 PolarHBondContact O-N 2.77Å; C135-Q137 VanDerWaalsContact O-N 3.11Å; Q137-Y139 VanDerWaalsContact C-N 3.27Å; Q137-Y139 PolarHBondContact O-N 2.98Å |
| 138 | K | 90.8 | Very high | 93.1 | Very high | 126 Ų | 126 | 50.7 Ų | 50.7 | 55% | 0.548 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -79.7 | -11.3 | -179.9 | -64.6 | -173.1 | 178.6 | -169.3 | 0 | 113.5 | C135 L136 P140 E175 | C135-K138 HydrophobicContact CB-CD 4.25Å; C135-K138 HydrophobicContact CB-CG 4.41Å; C135-K138 PolarHBondContact O-N 2.86Å; C135-K138 VanDerWaalsContact O-N 3.14Å; L136-K138 PolarHBondContact O-N 2.86Å; K138-P140 VanDerWaalsContact O-CD 3.31Å; K138-P140 WeakPolarHBondContact O-CD 3.38Å; K138-E175 HydrophobicContact CD-CB 4.47Å; K138-E175 WeakPolarHBondContact CD-OE2 3.36Å; K138-E175 VanDerWaalsContact CE-OE2 3.22Å; K138-E175 WeakPolarHBondContact CE-OE2 3.26Å; K138-E175 IonicContact NZ-OE2 3.77Å; K138-E175 PolarHBondContact NZ-OE2 3.04Å |
| 139 | Y | 90.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -121 | 59.4 | -175.1 | -56.7 | -73 | 0 | 0 | 0 | 111.9 | P80 G94 L136 Q137 S142 I144 I174 E175 | P80-Y139 HydrophobicContact CB-CD1 4.27Å; P80-Y139 HydrophobicContact CG-CD1 4.13Å; P80-Y139 HydrophobicContact CG-CE1 4.29Å; G94-Y139 WeakPolarHBondContact CA-O 3.44Å; G94-Y139 PolarHBondContact N-O 3.49Å; G94-Y139 VanDerWaalsContact N-O 3.13Å; L136-Y139 PolarHBondContact O-N 3.36Å; L136-Y139 VanDerWaalsContact O-N 3.16Å; Q137-Y139 VanDerWaalsContact C-N 3.27Å; Q137-Y139 PolarHBondContact O-N 2.98Å; Y139-S142 WeakPolarHBondContact O-CB 3.29Å; Y139-S142 PolarHBondContact O-N 3.43Å; Y139-I144 HydrophobicContact CD2-CD1 4.23Å; Y139-I174 HydrophobicContact CE2-CG2 3.99Å; Y139-E175 HydrophobicContact CE2-CB 4.35Å; Y139-E175 WeakPolarHBondContact OH-CG 3.41Å; Y139-E175 PolarHBondContact OH-N 2.77Å |
| 140 | P | 89.1 | Confident | 93.1 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 147.2 | 177.3 | 28.8 | -35.2 | 0 | 0 | 0 | 110.8 | K138 S142 | K138-P140 VanDerWaalsContact O-CD 3.31Å; K138-P140 WeakPolarHBondContact O-CD 3.38Å; P140-S142 PolarHBondContact O-N 3.07Å; P140-S142 PolarHBondContact O-OG 3.02Å |
| 141 | R | 86.9 | Confident | 93.1 | Very high | 153 Ų | 153 | 50.1 Ų | 50.1 | 58% | 0.577 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 15.2 | -179.5 | -53.3 | 179.9 | -178.3 | 176.8 | 0.1 | 115.1 | T83 D90 | T83-R141 PolarHBondContact N-O 3.38Å; T83-R141 VanDerWaalsContact N-O 3.14Å; D90-R141 WeakPolarHBondContact O-CA 3.41Å; D90-R141 PolarHBondContact O-N 3.14Å |
| 142 | S | 90.1 | Very high | 93.2 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.5 | -178.7 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | R81 G94 R95 Y139 P140 | R81-S142 CarbonylContact O-C 3.42Å; R81-S142 VanDerWaalsContact O-CA 3.26Å; R81-S142 WeakPolarHBondContact O-CA 3.38Å; G94-S142 CarbonylContact C-O 3.54Å; G94-S142 VanDerWaalsContact CA-O 3.29Å; G94-S142 WeakPolarHBondContact CA-O 3.49Å; R95-S142 PolarHBondContact N-O 3.47Å; Y139-S142 WeakPolarHBondContact O-CB 3.29Å; Y139-S142 PolarHBondContact O-N 3.43Å; P140-S142 PolarHBondContact O-N 3.07Å; P140-S142 PolarHBondContact O-OG 3.02Å |
| 143 | Q | 91.7 | Very high | 93.1 | Very high | 30 Ų | 30 | 44.8 Ų | 44.8 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.2 | 172.8 | -175.1 | 169.5 | -45.6 | 0 | 0 | 109.8 | R81 T83 R95 I97 E145 | R81-Q143 PolarHBondContact N-O 3.27Å; R81-Q143 PolarHBondContact O-N 2.83Å; T83-Q143 WeakPolarHBondContact OG1-CB 3.35Å; R95-Q143 CarbonylContact O-C 3.59Å; R95-Q143 WeakPolarHBondContact O-CA 3.49Å; I97-Q143 VanDerWaalsContact CD1-CD 3.44Å; I97-Q143 HydrophobicContact CD1-CG 4.06Å; I97-Q143 HydrophobicContact CG1-CG 4.12Å; Q143-E145 HydrophobicContact CG-CG 4.1Å; Q143-E145 PolarHBondContact NE2-OE1 2.84Å |
| 144 | I | 94.7 | Very high | 93 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.2 | 172.5 | -62.9 | 163.2 | 0 | 0 | 0 | 106.5 | V77 P80 R95 L96 I97 L136 Y139 V146 L169 I174 | V77-I144 HydrophobicContact CG1-CG2 4.11Å; P80-I144 HydrophobicContact CB-CG1 4.48Å; R95-I144 PolarHBondContact O-N 3.08Å; L96-I144 HydrophobicContact CD1-CB 4.08Å; L96-I144 HydrophobicContact CD1-CG2 3.85Å; I97-I144 PolarHBondContact N-O 2.89Å; L136-I144 HydrophobicContact CD2-CD1 4.46Å; Y139-I144 HydrophobicContact CD2-CD1 4.23Å; I144-V146 HydrophobicContact CG2-CG2 4.34Å; I144-L169 HydrophobicContact CG2-CD2 3.99Å; I144-I174 HydrophobicContact CD1-CD1 4.14Å; I144-I174 HydrophobicContact CD1-CG2 3.99Å; I144-I174 HydrophobicContact CG1-CD1 4.26Å; I144-I174 HydrophobicContact CG2-CD1 3.6Å |
| 145 | E | 95.1 | Very high | 92.7 | Very high | 47 Ų | 47 | 45.7 Ų | 45.7 | 22% | 0.22 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.7 | 178.9 | -62 | 173.7 | 170.9 | 0 | 0 | 109.5 | V77 Y78 R81 I97 Q143 | V77-E145 WeakPolarHBondContact CA-O 3.33Å; Y78-E145 PolarHBondContact N-O 3.12Å; Y78-E145 PolarHBondContact O-N 3.22Å; R81-E145 IonicContact NH1-OE2 2.55Å; R81-E145 PolarHBondContact NH1-OE2 3.33Å; I97-E145 HydrophobicContact CB-CG 4.49Å; I97-E145 CarbonylContact O-C 3.54Å; I97-E145 WeakPolarHBondContact O-CA 3.29Å; Q143-E145 HydrophobicContact CG-CG 4.1Å; Q143-E145 PolarHBondContact NE2-OE1 2.84Å |
| 146 | V | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112.6 | 176.9 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | C75 V77 L96 I97 T98 D99 I144 V148 A165 L169 | C75-V146 VanDerWaalsContact SG-CG1 3.53Å; V77-V146 HydrophobicContact CG2-CG1 4.21Å; V77-V146 HydrophobicContact CG2-CG2 4.18Å; L96-V146 HydrophobicContact CD1-CG2 3.76Å; I97-V146 PolarHBondContact O-N 2.99Å; T98-V146 CarbonylContact C-O 3.58Å; T98-V146 VanDerWaalsContact CA-O 3.26Å; T98-V146 WeakPolarHBondContact CA-O 3.37Å; T98-V146 HydrophobicContact CG2-CB 4.02Å; T98-V146 HydrophobicContact CG2-CG2 4.3Å; D99-V146 PolarHBondContact N-O 3.13Å; I144-V146 HydrophobicContact CG2-CG2 4.34Å; V146-V148 HydrophobicContact CG1-CG2 4.44Å; V146-A165 HydrophobicContact CG1-CB 3.78Å; V146-L169 HydrophobicContact CG2-CD2 3.86Å; V146-L169 HydrophobicContact CG2-CG 4.42Å |
| 147 | N | 96.6 | Very high | 92.7 | Very high | 50 Ų | 50 | 45 Ų | 45 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.5 | -178.2 | -65.4 | -19.4 | 0 | 0 | 0 | 109.3 | C75 C76 D99 | C75-N147 CarbonylContact C-O 3.56Å; C75-N147 WeakPolarHBondContact CA-O 3.47Å; C76-N147 PolarHBondContact N-O 2.94Å; C76-N147 PolarHBondContact O-N 3.43Å; D99-N147 CarbonylContact O-C 3.55Å; D99-N147 WeakPolarHBondContact O-CA 3.26Å |
| 148 | V | 96.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.1 | 176.8 | -175 | 0 | 0 | 0 | 0 | 109.4 | C75 D99 M100 R101 L126 V146 A161 A165 | C75-V148 HydrophobicContact CB-CG2 4.19Å; D99-V148 PolarHBondContact O-N 3.23Å; M100-V148 HydrophobicContact CG-CB 4.49Å; R101-V148 PolarHBondContact N-O 3.41Å; L126-V148 HydrophobicContact CD1-CG2 3.89Å; V146-V148 HydrophobicContact CG1-CG2 4.44Å; V148-A161 HydrophobicContact CG1-CB 4.01Å; V148-A165 HydrophobicContact CG2-CB 4.37Å |
| 149 | M | 95.8 | Very high | 93 | Very high | 75 Ų | 75 | 32.6 Ų | 32.6 | 37% | 0.369 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.2 | 174.1 | -176.1 | 65.2 | 64.2 | 0 | 0 | 109.5 | I74 R101 A103 L151 | I74-M149 PolarHBondContact N-O 3.04Å; I74-M149 PolarHBondContact O-N 3.35Å; R101-M149 HydrophobicContact CB-CE 4.07Å; R101-M149 HydrophobicContact CB-SD 4.2Å; R101-M149 WeakPolarHBondContact O-CA 3.23Å; A103-M149 HydrophobicContact CB-SD 4.24Å; M149-L151 HydrophobicContact CG-CD2 4.21Å |
| 150 | V | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 115.4 | 173 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | L73 M100 R101 F102 A103 S106 N153 V157 | L73-V150 HydrophobicContact CD2-CB 3.71Å; L73-V150 HydrophobicContact CD2-CG1 3.59Å; L73-V150 HydrophobicContact CD2-CG2 3.56Å; M100-V150 HydrophobicContact CE-CG2 3.66Å; R101-V150 PolarHBondContact O-N 2.91Å; F102-V150 HydrophobicContact CD1-CB 3.66Å; F102-V150 HydrophobicContact CD1-CG1 3.7Å; F102-V150 HydrophobicContact CD1-CG2 3.79Å; F102-V150 HydrophobicContact CD2-CG2 4.35Å; F102-V150 HydrophobicContact CE1-CB 4.04Å; F102-V150 HydrophobicContact CE1-CG1 3.87Å; F102-V150 HydrophobicContact CE1-CG2 3.76Å; F102-V150 HydrophobicContact CE2-CG2 4.33Å; F102-V150 HydrophobicContact CG-CB 4.11Å; F102-V150 HydrophobicContact CG-CG2 4.11Å; F102-V150 HydrophobicContact CZ-CG2 4.05Å; A103-V150 WeakPolarHBondContact CB-O 3.48Å; A103-V150 PolarHBondContact N-O 2.74Å; S106-V150 WeakPolarHBondContact CB-O 3.48Å; V150-N153 HydrophobicContact CG1-CB 4.24Å; V150-V157 HydrophobicContact CB-CG1 4.44Å; V150-V157 HydrophobicContact CG1-CG1 3.97Å; V150-V157 HydrophobicContact CG2-CG1 3.59Å |
| 151 | L | 95.3 | Very high | 93.6 | Very high | 48 Ų | 48 | 28.1 Ų | 28.1 | 25% | 0.251 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -41.7 | 178.3 | -62.6 | -180 | 0 | 0 | 0 | 111.8 | Y65 K72 I74 F105 S106 M149 | Y65-L151 HydrophobicContact CE2-CD1 4.4Å; K72-L151 HydrophobicContact CB-CB 4.13Å; K72-L151 WeakPolarHBondContact O-CB 3.48Å; K72-L151 PolarHBondContact O-N 2.88Å; I74-L151 HydrophobicContact CD1-CD1 3.68Å; I74-L151 HydrophobicContact CD1-CG 4.41Å; I74-L151 HydrophobicContact CG1-CD1 3.92Å; I74-L151 HydrophobicContact CG1-CG 4.47Å; F105-L151 WeakPolarHBondContact CE2-O 2.89Å; S106-L151 VanDerWaalsContact CA-O 3.22Å; S106-L151 WeakPolarHBondContact CA-O 3.44Å; S106-L151 VanDerWaalsContact CB-O 3.22Å; S106-L151 WeakPolarHBondContact CB-O 3.15Å; M149-L151 HydrophobicContact CG-CD2 4.21Å |
| 152 | E | 94.9 | Very high | 94.1 | Very high | 71 Ų | 71 | 20.9 Ų | 20.9 | 33% | 0.332 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 129.6 | -179.1 | -172 | 171.9 | -179.3 | 0 | 0 | 108.1 | N70 T71 K72 | N70-E152 WeakPolarHBondContact O-CB 3.3Å; N70-E152 WeakPolarHBondContact O-CG 3.37Å; T71-E152 WeakPolarHBondContact CA-O 3.32Å; K72-E152 HydrophobicContact CB-CB 4.16Å; K72-E152 HydrophobicContact CD-CB 4.46Å; K72-E152 HydrophobicContact CG-CB 4.49Å; K72-E152 PolarHBondContact N-O 3.07Å; K72-E152 IonicContact NZ-OE2 3.8Å; K72-E152 PolarHBondContact NZ-OE2 3.07Å; K72-E152 PolarHBondContact O-N 3.06Å |
| 153 | N | 92.2 | Very high | 94.3 | Very high | 29 Ų | 29 | 19.8 Ų | 19.8 | 16% | 0.155 | 10% | 0.1 | C | C | . | . | trans | -107.1 | 110.3 | -178.9 | 179 | 8.1 | 0 | 0 | 0 | 110.4 | S106 V150 G155 V157 | S106-N153 PolarHBondContact O-N 3.48Å; V150-N153 HydrophobicContact CG1-CB 4.24Å; N153-G155 PolarHBondContact OD1-N 3.24Å; N153-V157 HydrophobicContact CB-CG2 4.38Å; N153-V157 VanDerWaalsContact CG-CG2 3.49Å; N153-V157 WeakPolarHBondContact OD1-CG2 3.34Å | ||
| 154 | D | 89.8 | Confident | 94.6 | Very high | 25 Ų | 25 | 18.4 Ų | 18.4 | 13% | 0.134 | 9% | 0.093 | C | C | . | . | trans | -123.3 | 29.5 | 172.4 | -165.9 | 32 | 0 | 0 | 0 | 111.6 | R48 N70 T71 T197 F198 | R48-D154 PolarHBondContact NH1-O 3.36Å; R48-D154 IonicContact NH1-OD2 2.73Å; N70-D154 HydrophobicContact CB-CB 3.75Å; N70-D154 WeakPolarHBondContact CB-OD2 3.41Å; N70-D154 PolarHBondContact ND2-OD2 3.27Å; T71-D154 VanDerWaalsContact OG1-C 3.25Å; T71-D154 WeakPolarHBondContact OG1-CA 3.46Å; T71-D154 WeakPolarHBondContact OG1-CB 3.48Å; T71-D154 PolarHBondContact OG1-N 3.29Å; D154-T197 CarbonylContact O-C 3.47Å; D154-T197 VanDerWaalsContact O-CA 3.25Å; D154-T197 WeakPolarHBondContact O-CA 3.36Å; D154-F198 VanDerWaalsContact C-N 3.31Å; D154-F198 PolarHBondContact O-N 3.31Å | ||
| 155 | G | 88.7 | Confident | 94.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 95.4 | 168.5 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | R48 T71 N153 V157 E201 | R48-G155 PolarHBondContact NH2-O 3.35Å; T71-G155 PolarHBondContact OG1-O 3.14Å; T71-G155 VanDerWaalsContact OG1-O 3.06Å; N153-G155 PolarHBondContact OD1-N 3.24Å; G155-V157 PolarHBondContact O-N 3.03Å; G155-E201 VanDerWaalsContact CA-OE2 3.22Å; G155-E201 WeakPolarHBondContact CA-OE2 3.44Å |
| 156 | A | 90.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 2% | 0.017 | 8% | 0.083 | C | C | . | . | trans | 52.7 | 31.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L158 A159 H160 D195 E201 | A156-L158 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 3.28Å; A156-A159 PolarHBondContact O-N 2.85Å; A156-H160 PolarHBondContact O-CD2 3.27Å; A156-H160 PolarHBondContact O-N 2.76Å; A156-H160 VanDerWaalsContact O-N 3.17Å; A156-D195 VanDerWaalsContact CB-OD1 3.31Å; A156-D195 WeakPolarHBondContact CB-OD1 2.93Å; A156-E201 WeakPolarHBondContact CA-OE1 3.45Å; A156-E201 PolarHBondContact N-OE1 3.26Å | ||
| 157 | V | 93.5 | Very high | 94.6 | Very high | 13 Ų | 13 | 16.2 Ų | 16.2 | 8% | 0.079 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | -168 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | L73 M100 F102 V150 N153 G155 H160 A161 | L73-V157 HydrophobicContact CD2-CG1 4Å; M100-V157 HydrophobicContact CE-CB 4.16Å; M100-V157 HydrophobicContact CE-CG1 3.32Å; F102-V157 HydrophobicContact CE1-CG1 4.01Å; F102-V157 HydrophobicContact CE1-CG2 4.38Å; F102-V157 HydrophobicContact CZ-CG1 4.09Å; V150-V157 HydrophobicContact CB-CG1 4.44Å; V150-V157 HydrophobicContact CG1-CG1 3.97Å; V150-V157 HydrophobicContact CG2-CG1 3.59Å; N153-V157 HydrophobicContact CB-CG2 4.38Å; N153-V157 VanDerWaalsContact CG-CG2 3.49Å; N153-V157 WeakPolarHBondContact OD1-CG2 3.34Å; G155-V157 PolarHBondContact O-N 3.03Å; V157-H160 PolarHBondContact O-N 2.84Å; V157-A161 WeakPolarHBondContact O-CB 3.39Å; V157-A161 PolarHBondContact O-N 3.34Å |
| 158 | L | 94.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 13.9 Ų | 13.9 | 7% | 0.073 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | -179.5 | -179.3 | 61.7 | 0 | 0 | 0 | 111.7 | L122 M125 L126 A156 A161 V162 T218 Q232 | L122-L158 HydrophobicContact CD2-CB 4.12Å; L122-L158 HydrophobicContact CD2-CD1 4.13Å; L122-L158 HydrophobicContact CD2-CD2 4.28Å; L122-L158 HydrophobicContact CD2-CG 4.41Å; M125-L158 HydrophobicContact CB-CD1 4.03Å; M125-L158 HydrophobicContact CB-CD2 4.08Å; M125-L158 HydrophobicContact SD-CD2 3.74Å; L126-L158 HydrophobicContact CB-CD1 4.48Å; A156-L158 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 3.28Å; L158-A161 PolarHBondContact O-N 3.42Å; L158-V162 HydrophobicContact CD1-CG2 4.48Å; L158-V162 WeakPolarHBondContact O-CG2 3.38Å; L158-V162 PolarHBondContact O-N 2.8Å; L158-T218 HydrophobicContact CB-CG2 4.24Å; L158-T218 HydrophobicContact CD2-CG2 3.94Å; L158-T218 HydrophobicContact CG-CG2 4.06Å; L158-Q232 HydrophobicContact CD2-CB 4.36Å |
| 159 | A | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.2 | -46.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A156 A161 V162 T163 G182 S184 T218 | A156-A159 PolarHBondContact O-N 2.85Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 2.89Å; A159-V162 PolarHBondContact O-N 2.8Å; A159-T163 PolarHBondContact O-N 2.84Å; A159-T163 VanDerWaalsContact O-N 3.14Å; A159-T163 PolarHBondContact O-OG1 3.27Å; A159-G182 VanDerWaalsContact CB-C 3.47Å; A159-G182 WeakPolarHBondContact O-CA 3.42Å; A159-S184 WeakPolarHBondContact CB-OG 3.34Å; A159-T218 HydrophobicContact CB-CG2 4.06Å |
| 160 | H | 94.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.019 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.4 | -34 | 177.8 | -66.3 | -50.8 | 0 | 0 | 0 | 111.5 | A68 L73 A156 V157 T163 C164 D195 | A68-H160 VanDerWaalsContact CB-CE1 3.4Å; A68-H160 WeakPolarHBondContact CB-CE1 3.4Å; L73-H160 VanDerWaalsContact CD1-C 3.41Å; L73-H160 HydrophobicContact CD1-CB 3.47Å; L73-H160 VanDerWaalsContact CD1-CB 3.47Å; A156-H160 PolarHBondContact O-CD2 3.27Å; A156-H160 PolarHBondContact O-N 2.76Å; A156-H160 VanDerWaalsContact O-N 3.17Å; V157-H160 PolarHBondContact O-N 2.84Å; H160-T163 PolarHBondContact O-N 3.48Å; H160-C164 VanDerWaalsContact O-CB 3.27Å; H160-C164 WeakPolarHBondContact O-CB 3.42Å; H160-C164 PolarHBondContact O-N 2.9Å; H160-D195 IonicContact CE1-OD1 3.23Å; H160-D195 IonicContact NE2-OD1 3.65Å; H160-D195 PolarHBondContact NE2-OD1 3.21Å |
| 161 | A | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.7 | -45.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L73 M100 L126 V148 V157 L158 A159 T163 C164 A165 | L73-A161 HydrophobicContact CD1-CB 4.15Å; L73-A161 VanDerWaalsContact CD1-N 3.34Å; M100-A161 HydrophobicContact CE-CB 4.11Å; M100-A161 HydrophobicContact SD-CB 4.22Å; L126-A161 HydrophobicContact CD1-CB 3.7Å; V148-A161 HydrophobicContact CG1-CB 4.01Å; V157-A161 WeakPolarHBondContact O-CB 3.39Å; V157-A161 PolarHBondContact O-N 3.34Å; L158-A161 PolarHBondContact O-N 3.42Å; A159-A161 VanDerWaalsContact C-N 3.31Å; A159-A161 PolarHBondContact O-N 2.89Å; A161-T163 VanDerWaalsContact C-N 3.32Å; A161-T163 PolarHBondContact O-N 2.7Å; A161-C164 PolarHBondContact O-N 2.81Å; A161-A165 VanDerWaalsContact O-CB 3.24Å; A161-A165 WeakPolarHBondContact O-CB 3.3Å; A161-A165 PolarHBondContact O-N 2.78Å |
| 162 | V | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.012 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.5 | -46.9 | 174.7 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | L126 L130 L158 A159 A165 S166 V180 A220 | L126-V162 HydrophobicContact CG-CG2 4.36Å; L130-V162 HydrophobicContact CD2-CG1 4.37Å; L158-V162 HydrophobicContact CD1-CG2 4.48Å; L158-V162 WeakPolarHBondContact O-CG2 3.38Å; L158-V162 PolarHBondContact O-N 2.8Å; A159-V162 PolarHBondContact O-N 2.8Å; V162-A165 PolarHBondContact O-N 3.17Å; V162-S166 PolarHBondContact O-N 2.93Å; V162-V180 HydrophobicContact CG1-CB 4.01Å; V162-V180 HydrophobicContact CG1-CG1 3.37Å; V162-A220 HydrophobicContact CG1-CB 4.13Å |
| 163 | T | 95.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 1% | 0.012 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 178.6 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | I66 A159 H160 A161 A165 S166 M167 L181 G182 I260 | I66-T163 HydrophobicContact CD1-CG2 4.13Å; A159-T163 PolarHBondContact O-N 2.84Å; A159-T163 VanDerWaalsContact O-N 3.14Å; A159-T163 PolarHBondContact O-OG1 3.27Å; H160-T163 PolarHBondContact O-N 3.48Å; A161-T163 VanDerWaalsContact C-N 3.32Å; A161-T163 PolarHBondContact O-N 2.7Å; T163-A165 VanDerWaalsContact C-N 3.34Å; T163-A165 PolarHBondContact O-N 3.43Å; T163-S166 PolarHBondContact O-N 2.77Å; T163-M167 WeakPolarHBondContact O-CG 3.39Å; T163-M167 PolarHBondContact O-N 3.47Å; T163-M167 VanDerWaalsContact O-N 3.14Å; T163-L181 HydrophobicContact CG2-CD2 4.14Å; T163-G182 PolarHBondContact OG1-N 3.08Å; T163-I260 HydrophobicContact CG2-CD1 3.36Å; T163-I260 HydrophobicContact CG2-CG1 4.32Å |
| 164 | C | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.5 | -164.5 | 0 | 0 | 0 | 0 | 112 | A64 I66 C75 H160 A161 M167 A168 | A64-C164 WeakPolarHBondContact CB-O 3.42Å; A64-C164 PolarHBondContact O-SG 2.79Å; I66-C164 HydrophobicContact CB-CB 4.39Å; I66-C164 HydrophobicContact CG2-CB 3.62Å; C75-C164 HydrophobicContact CB-CB 4.21Å; C75-C164 WeakPolarHBondContact CB-SG 3.3Å; H160-C164 VanDerWaalsContact O-CB 3.27Å; H160-C164 WeakPolarHBondContact O-CB 3.42Å; H160-C164 PolarHBondContact O-N 2.9Å; A161-C164 PolarHBondContact O-N 2.81Å; C164-M167 PolarHBondContact O-N 3.26Å; C164-A168 PolarHBondContact O-N 3.27Å |
| 165 | A | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L126 L130 V146 V148 A161 V162 T163 M167 A168 L169 | L126-A165 HydrophobicContact CD2-CB 4.28Å; L130-A165 HydrophobicContact CD1-CB 3.58Å; L130-A165 HydrophobicContact CD2-CB 4.4Å; V146-A165 HydrophobicContact CG1-CB 3.78Å; V148-A165 HydrophobicContact CG2-CB 4.37Å; A161-A165 VanDerWaalsContact O-CB 3.24Å; A161-A165 WeakPolarHBondContact O-CB 3.3Å; A161-A165 PolarHBondContact O-N 2.78Å; V162-A165 PolarHBondContact O-N 3.17Å; T163-A165 VanDerWaalsContact C-N 3.34Å; T163-A165 PolarHBondContact O-N 3.43Å; A165-M167 VanDerWaalsContact C-N 3.28Å; A165-M167 PolarHBondContact O-N 2.95Å; A165-A168 PolarHBondContact O-N 2.84Å; A165-L169 WeakPolarHBondContact O-CG 3.19Å; A165-L169 PolarHBondContact O-N 2.82Å |
| 166 | S | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.1 | -44.8 | 174.2 | -175 | 0 | 0 | 0 | 0 | 111.1 | V162 T163 A168 L169 V170 V180 | V162-S166 PolarHBondContact O-N 2.93Å; T163-S166 PolarHBondContact O-N 2.77Å; S166-A168 PolarHBondContact O-N 2.86Å; S166-L169 WeakPolarHBondContact O-CB 3.24Å; S166-L169 PolarHBondContact O-N 2.75Å; S166-V170 WeakPolarHBondContact O-CG2 3.2Å; S166-V170 PolarHBondContact O-N 2.87Å; S166-V180 VanDerWaalsContact CB-O 3.29Å; S166-V180 WeakPolarHBondContact CB-O 3.46Å; S166-V180 PolarHBondContact OG-N 3.48Å |
| 167 | M | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.4 | -36.6 | 177.9 | -67.2 | -167.1 | 74.2 | 0 | 0 | 113.9 | V52 C54 A64 T163 C164 A165 L169 V170 D171 I260 A263 L264 | V52-M167 HydrophobicContact CB-SD 4.37Å; V52-M167 HydrophobicContact CG1-CE 3.1Å; V52-M167 HydrophobicContact CG1-SD 3.17Å; V52-M167 WeakPolarHBondContact CG1-SD 3.43Å; V52-M167 HydrophobicContact CG2-SD 4.28Å; C54-M167 WeakPolarHBondContact SG-CE 3.47Å; A64-M167 HydrophobicContact CB-CB 3.89Å; T163-M167 WeakPolarHBondContact O-CG 3.39Å; T163-M167 PolarHBondContact O-N 3.47Å; T163-M167 VanDerWaalsContact O-N 3.14Å; C164-M167 PolarHBondContact O-N 3.26Å; A165-M167 VanDerWaalsContact C-N 3.28Å; A165-M167 PolarHBondContact O-N 2.95Å; M167-L169 VanDerWaalsContact C-N 3.33Å; M167-V170 PolarHBondContact O-N 2.92Å; M167-D171 WeakPolarHBondContact O-CB 3.31Å; M167-D171 PolarHBondContact O-N 3.45Å; M167-I260 HydrophobicContact CE-CG2 3.94Å; M167-I260 HydrophobicContact CG-CG2 3.98Å; M167-I260 HydrophobicContact SD-CB 4.45Å; M167-I260 HydrophobicContact SD-CG1 4.18Å; M167-I260 HydrophobicContact SD-CG2 3.75Å; M167-A263 HydrophobicContact CE-CB 4Å; M167-L264 HydrophobicContact CE-CD2 3.89Å; M167-L264 HydrophobicContact CE-CG 3.87Å |
| 168 | A | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.9 | -33.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A64 C75 V77 C164 A165 S166 D171 A172 | A64-A168 HydrophobicContact CB-CB 3.93Å; C75-A168 HydrophobicContact CB-CB 4Å; V77-A168 HydrophobicContact CG2-CB 3.57Å; C164-A168 PolarHBondContact O-N 3.27Å; A165-A168 PolarHBondContact O-N 2.84Å; S166-A168 PolarHBondContact O-N 2.86Å; A168-D171 PolarHBondContact O-N 2.98Å; A168-A172 WeakPolarHBondContact O-CB 3.45Å; A168-A172 PolarHBondContact O-N 3.3Å |
| 169 | L | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | 173.6 | -70.3 | 168.8 | 0 | 0 | 0 | 111.7 | V77 L130 V134 I144 V146 A165 S166 M167 D171 A172 G173 I174 M176 | V77-L169 HydrophobicContact CG1-CD2 3.98Å; V77-L169 HydrophobicContact CG2-CD2 4.03Å; V77-L169 HydrophobicContact CG2-CG 4.24Å; L130-L169 HydrophobicContact CD1-CD1 4.2Å; L130-L169 HydrophobicContact CD2-CD1 4.35Å; V134-L169 HydrophobicContact CG2-CD1 3.75Å; I144-L169 HydrophobicContact CG2-CD2 3.99Å; V146-L169 HydrophobicContact CG2-CD2 3.86Å; V146-L169 HydrophobicContact CG2-CG 4.42Å; A165-L169 WeakPolarHBondContact O-CG 3.19Å; A165-L169 PolarHBondContact O-N 2.82Å; S166-L169 WeakPolarHBondContact O-CB 3.24Å; S166-L169 PolarHBondContact O-N 2.75Å; M167-L169 VanDerWaalsContact C-N 3.33Å; L169-D171 VanDerWaalsContact C-N 3.34Å; L169-A172 PolarHBondContact O-N 3.46Å; L169-G173 PolarHBondContact O-N 3.46Å; L169-I174 HydrophobicContact CD2-CD1 3.59Å; L169-I174 PolarHBondContact O-N 3.46Å; L169-I174 VanDerWaalsContact O-N 3.12Å; L169-M176 HydrophobicContact CB-CE 4.18Å; L169-M176 HydrophobicContact CB-SD 3.59Å; L169-M176 VanDerWaalsContact CB-SD 3.59Å; L169-M176 HydrophobicContact CD1-SD 3.86Å; L169-M176 HydrophobicContact CG-SD 4.38Å |
| 170 | V | 95.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 21.6 Ų | 21.6 | 30% | 0.297 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 172.4 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | S166 M167 A172 G173 M176 L179 L264 | S166-V170 WeakPolarHBondContact O-CG2 3.2Å; S166-V170 PolarHBondContact O-N 2.87Å; M167-V170 PolarHBondContact O-N 2.92Å; V170-A172 PolarHBondContact O-N 3.24Å; V170-G173 WeakPolarHBondContact O-CA 3.44Å; V170-G173 PolarHBondContact O-N 3.05Å; V170-M176 HydrophobicContact CB-CE 4.29Å; V170-M176 HydrophobicContact CG2-CE 3.21Å; V170-L179 HydrophobicContact CG2-CD2 3.23Å; V170-L264 HydrophobicContact CB-CD2 4.01Å; V170-L264 HydrophobicContact CG1-CD1 4.38Å; V170-L264 HydrophobicContact CG1-CD2 3.81Å; V170-L264 HydrophobicContact CG2-CD1 4.35Å; V170-L264 HydrophobicContact CG2-CD2 4.42Å |
| 171 | D | 94.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 21.4 Ų | 21.4 | 12% | 0.118 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.9 | -32.1 | -177.5 | -170 | 59.2 | 0 | 0 | 0 | 112.5 | C54 G55 G62 S63 M167 A168 L169 G173 K271 | C54-D171 HydrophobicContact CB-CB 4.16Å; G55-D171 WeakPolarHBondContact CA-OD2 2.9Å; G55-D171 PolarHBondContact N-OD2 3.43Å; G62-D171 WeakPolarHBondContact CA-OD2 3.43Å; S63-D171 PolarHBondContact N-OD2 3.37Å; S63-D171 VanDerWaalsContact N-OD2 3.11Å; M167-D171 WeakPolarHBondContact O-CB 3.31Å; M167-D171 PolarHBondContact O-N 3.45Å; A168-D171 PolarHBondContact O-N 2.98Å; L169-D171 VanDerWaalsContact C-N 3.34Å; D171-G173 PolarHBondContact O-N 2.87Å; D171-K271 VanDerWaalsContact CG-NZ 3.29Å; D171-K271 PolarHBondContact O-NZ 2.97Å; D171-K271 WeakPolarHBondContact OD1-CE 3.49Å; D171-K271 IonicContact OD1-NZ 2.64Å; D171-K271 PolarHBondContact OD1-NZ 2.91Å; D171-K271 IonicContact OD2-NZ 3.53Å |
| 172 | A | 94.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 5% | 0.05 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K61 V77 A168 L169 V170 I174 | K61-A172 HydrophobicContact CB-CB 4.47Å; K61-A172 WeakPolarHBondContact CE-O 3.22Å; K61-A172 HydrophobicContact CG-CB 4.38Å; V77-A172 HydrophobicContact CB-CB 4.24Å; V77-A172 HydrophobicContact CG1-CB 3.93Å; A168-A172 WeakPolarHBondContact O-CB 3.45Å; A168-A172 PolarHBondContact O-N 3.3Å; L169-A172 PolarHBondContact O-N 3.46Å; V170-A172 PolarHBondContact O-N 3.24Å; A172-I174 VanDerWaalsContact C-N 3.34Å; A172-I174 HydrophobicContact CB-CD1 3.96Å; A172-I174 HydrophobicContact CB-CG1 4.07Å |
| 173 | G | 93.1 | Very high | 95.1 | Very high | 57 Ų | 57 | 21.6 Ų | 21.6 | 59% | 0.588 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 29.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L169 V170 D171 | L169-G173 PolarHBondContact O-N 3.46Å; V170-G173 WeakPolarHBondContact O-CA 3.44Å; V170-G173 PolarHBondContact O-N 3.05Å; D171-G173 PolarHBondContact O-N 2.87Å |
| 174 | I | 94.9 | Very high | 95 | Very high | 8 Ų | 8 | 21.6 Ų | 21.6 | 4% | 0.041 | 12% | 0.119 | C | C | . | . | trans | -80.2 | 135 | 174.2 | -66.6 | 165.4 | 0 | 0 | 0 | 108.4 | V77 V134 Y139 I144 L169 A172 M176 | V77-I174 HydrophobicContact CG1-CD1 3.6Å; V134-I174 HydrophobicContact CG1-CG2 3.94Å; Y139-I174 HydrophobicContact CE2-CG2 3.99Å; I144-I174 HydrophobicContact CD1-CD1 4.14Å; I144-I174 HydrophobicContact CD1-CG2 3.99Å; I144-I174 HydrophobicContact CG1-CD1 4.26Å; I144-I174 HydrophobicContact CG2-CD1 3.6Å; L169-I174 HydrophobicContact CD2-CD1 3.59Å; L169-I174 PolarHBondContact O-N 3.46Å; L169-I174 VanDerWaalsContact O-N 3.12Å; A172-I174 VanDerWaalsContact C-N 3.34Å; A172-I174 HydrophobicContact CB-CD1 3.96Å; A172-I174 HydrophobicContact CB-CG1 4.07Å; I174-M176 PolarHBondContact O-N 3.2Å | ||
| 175 | E | 94.2 | Very high | 94.8 | Very high | 86 Ų | 86 | 21.7 Ų | 21.7 | 40% | 0.402 | 12% | 0.12 | S | C | . | . | trans | -71.4 | 124.6 | -178.8 | -65.3 | -173.4 | -149.8 | 0 | 0 | 111.4 | C135 K138 Y139 | C135-E175 HydrophobicContact CB-CB 4.18Å; C135-E175 WeakPolarHBondContact CB-O 3.16Å; C135-E175 PolarHBondContact N-O 3.17Å; K138-E175 HydrophobicContact CD-CB 4.47Å; K138-E175 WeakPolarHBondContact CD-OE2 3.36Å; K138-E175 VanDerWaalsContact CE-OE2 3.22Å; K138-E175 WeakPolarHBondContact CE-OE2 3.26Å; K138-E175 IonicContact NZ-OE2 3.77Å; K138-E175 PolarHBondContact NZ-OE2 3.04Å; Y139-E175 HydrophobicContact CE2-CB 4.35Å; Y139-E175 WeakPolarHBondContact OH-CG 3.41Å; Y139-E175 PolarHBondContact OH-N 2.77Å | ||
| 176 | M | 94.6 | Very high | 94.4 | Very high | 38 Ų | 38 | 23.3 Ų | 23.3 | 19% | 0.187 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -128.5 | 150.7 | 179.1 | -61.5 | -164.9 | -59.3 | 0 | 0 | 109.7 | G133 V134 L169 V170 I174 L179 | G133-M176 CarbonylContact O-C 3.59Å; G133-M176 WeakPolarHBondContact O-CA 3.33Å; G133-M176 VanDerWaalsContact O-CB 3.27Å; G133-M176 WeakPolarHBondContact O-CB 3.26Å; V134-M176 HydrophobicContact CG2-CG 4.16Å; V134-M176 HydrophobicContact CG2-SD 4.17Å; L169-M176 HydrophobicContact CB-CE 4.18Å; L169-M176 HydrophobicContact CB-SD 3.59Å; L169-M176 VanDerWaalsContact CB-SD 3.59Å; L169-M176 HydrophobicContact CD1-SD 3.86Å; L169-M176 HydrophobicContact CG-SD 4.38Å; V170-M176 HydrophobicContact CB-CE 4.29Å; V170-M176 HydrophobicContact CG2-CE 3.21Å; I174-M176 PolarHBondContact O-N 3.2Å; M176-L179 HydrophobicContact CE-CD2 3.93Å |
| 177 | Y | 94.8 | Very high | 93.8 | Very high | 140 Ų | 140 | 23.3 Ų | 23.3 | 55% | 0.549 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -71.6 | -40.9 | 172.9 | -65.8 | -71.8 | 0 | 0 | 0 | 111.4 | P132 G133 C135 | P132-Y177 WeakPolarHBondContact O-CD2 3.39Å; G133-Y177 PolarHBondContact O-N 3.42Å; C135-Y177 HydrophobicContact CB-CE2 4.43Å; C135-Y177 VanDerWaalsContact SG-CE2 3.53Å |
| 178 | D | 95.1 | Very high | 93 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -158 | 167.7 | -179 | -167.8 | 15 | 0 | 0 | 0 | 110.1 | L222 P223 S224 L225 | D178-L222 HydrophobicContact CB-CB 4.3Å; D178-L222 HydrophobicContact CB-CD2 3.76Å; D178-L222 WeakPolarHBondContact OD2-CA 3.23Å; D178-P223 WeakPolarHBondContact OD2-CD 3.38Å; D178-P223 VanDerWaalsContact OD2-N 3.1Å; D178-S224 VanDerWaalsContact CG-CB 3.43Å; D178-S224 WeakPolarHBondContact OD1-CB 3.35Å; D178-S224 PolarHBondContact OD1-OG 3.13Å; D178-S224 WeakPolarHBondContact OD2-CA 3.46Å; D178-S224 WeakPolarHBondContact OD2-CB 3.45Å; D178-S224 PolarHBondContact OD2-N 3.22Å; D178-S224 PolarHBondContact OD2-OG 3.4Å; D178-L225 HydrophobicContact CB-CD1 4.31Å; D178-L225 HydrophobicContact CB-CG 4.4Å; D178-L225 PolarHBondContact OD2-N 3.02Å |
| 179 | L | 94.7 | Very high | 92.1 | Very high | 22 Ų | 22 | 25.1 Ų | 25.1 | 12% | 0.115 | 14% | 0.139 | C | C | . | . | trans | -73.6 | 143.3 | 170.8 | -59.4 | -179.7 | 0 | 0 | 0 | 109.8 | V170 M176 P223 Y257 I260 L264 | V170-L179 HydrophobicContact CG2-CD2 3.23Å; M176-L179 HydrophobicContact CE-CD2 3.93Å; L179-P223 WeakPolarHBondContact O-CD 3.22Å; L179-Y257 HydrophobicContact CD1-CE2 4.07Å; L179-I260 HydrophobicContact CD1-CG2 4.08Å; L179-L264 HydrophobicContact CD1-CD1 3.64Å; L179-L264 HydrophobicContact CD2-CD1 4.1Å | ||
| 180 | V | 95.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | trans | -102.8 | 119 | 173.8 | -167.7 | 0 | 0 | 0 | 0 | 108.3 | S129 L130 V162 S166 A220 L222 | S129-V180 WeakPolarHBondContact O-CG1 3.48Å; L130-V180 HydrophobicContact CD2-CB 4.06Å; L130-V180 HydrophobicContact CD2-CG2 4.03Å; V162-V180 HydrophobicContact CG1-CB 4.01Å; V162-V180 HydrophobicContact CG1-CG1 3.37Å; S166-V180 VanDerWaalsContact CB-O 3.29Å; S166-V180 WeakPolarHBondContact CB-O 3.46Å; S166-V180 PolarHBondContact OG-N 3.48Å; V180-A220 HydrophobicContact CG1-CB 4Å; V180-L222 HydrophobicContact CG2-CD2 3.85Å | ||
| 181 | L | 95.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 134.5 | 175.9 | -57.3 | -170.5 | 0 | 0 | 0 | 110 | T163 A220 F221 P223 C253 Y257 I260 | T163-L181 HydrophobicContact CG2-CD2 4.14Å; L181-A220 CarbonylContact O-C 3.53Å; L181-A220 WeakPolarHBondContact O-CA 3.37Å; L181-F221 PolarHBondContact N-O 3.41Å; L181-F221 PolarHBondContact O-N 2.81Å; L181-P223 HydrophobicContact CD1-CG 4.05Å; L181-P223 HydrophobicContact CG-CG 4.27Å; L181-C253 HydrophobicContact CB-CB 4.15Å; L181-C253 HydrophobicContact CD1-CB 4.3Å; L181-C253 VanDerWaalsContact CD1-O 3.22Å; L181-C253 WeakPolarHBondContact CD1-O 3.33Å; L181-Y257 HydrophobicContact CD1-CD2 3.93Å; L181-Y257 HydrophobicContact CD1-CG 4.3Å; L181-I260 HydrophobicContact CD2-CD1 3.22Å; L181-I260 HydrophobicContact CG-CD1 4.47Å |
| 182 | G | 94.6 | Very high | 90 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 138.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A159 T163 V219 | A159-G182 VanDerWaalsContact CB-C 3.47Å; A159-G182 WeakPolarHBondContact O-CA 3.42Å; T163-G182 PolarHBondContact OG1-N 3.08Å; G182-V219 CarbonylContact C-O 3.58Å; G182-V219 WeakPolarHBondContact CA-O 3.24Å |
| 183 | C | 93.9 | Very high | 89.6 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 135.6 | 166.9 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | V219 C249 C253 | C183-V219 PolarHBondContact N-O 2.73Å; C183-V219 PolarHBondContact O-N 2.86Å; C183-C249 HydrophobicContact CB-CB 4.42Å; C183-C253 WeakPolarHBondContact CB-SG 3.27Å |
| 184 | S | 93 | Very high | 89.4 | Confident | 3 Ų | 3 | 28.5 Ų | 28.5 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 145.2 | 175.3 | -61.3 | 0 | 0 | 0 | 0 | 110.2 | A159 D195 P196 L217 T218 | A159-S184 WeakPolarHBondContact CB-OG 3.34Å; S184-D195 WeakPolarHBondContact O-CA 3.21Å; S184-D195 PolarHBondContact O-N 2.94Å; S184-P196 WeakPolarHBondContact O-CD 3.33Å; S184-L217 CarbonylContact C-O 3.58Å; S184-L217 VanDerWaalsContact CA-O 3.29Å; S184-L217 WeakPolarHBondContact CA-O 3.37Å; S184-T218 WeakPolarHBondContact OG-CG2 3.3Å; S184-T218 PolarHBondContact OG-OG1 2.72Å |
| 185 | I | 91.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.5 | 177 | -71.4 | -175 | 0 | 0 | 0 | 109.1 | Y192 L193 I194 S216 L217 G245 T248 C249 | I185-Y192 HydrophobicContact CG2-CD1 4.23Å; I185-Y192 HydrophobicContact CG2-CG 4.46Å; I185-L193 CarbonylContact C-O 3.45Å; I185-L193 VanDerWaalsContact CA-O 3.28Å; I185-L193 WeakPolarHBondContact CA-O 3.43Å; I185-I194 HydrophobicContact CD1-CG1 3.99Å; I185-I194 HydrophobicContact CG1-CB 4.43Å; I185-I194 HydrophobicContact CG1-CG1 4.06Å; I185-S216 CarbonylContact O-C 3.57Å; I185-S216 WeakPolarHBondContact O-CA 3.31Å; I185-L217 PolarHBondContact N-O 2.75Å; I185-L217 PolarHBondContact O-N 2.79Å; I185-G245 WeakPolarHBondContact CD1-O 3.44Å; I185-T248 HydrophobicContact CD1-CG2 3.67Å; I185-C249 HydrophobicContact CD1-CB 4.08Å; I185-C249 WeakPolarHBondContact CD1-SG 3.25Å; I185-C249 WeakPolarHBondContact CG1-SG 2.85Å |
| 186 | R | 88.8 | Confident | 88.8 | Confident | 34 Ų | 34 | 24.2 Ų | 24.2 | 13% | 0.128 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 130.9 | 165.7 | -176.2 | 67.5 | 175.9 | 143.1 | -2.8 | 109.3 | L193 P196 L214 G215 | R186-L193 HydrophobicContact CB-CB 4.33Å; R186-L193 PolarHBondContact N-O 3.01Å; R186-L193 WeakPolarHBondContact O-CB 3.28Å; R186-L193 PolarHBondContact O-N 3.13Å; R186-P196 HydrophobicContact CB-CB 3.85Å; R186-P196 HydrophobicContact CB-CG 4.04Å; R186-L214 PolarHBondContact NH1-O 3.07Å; R186-G215 WeakPolarHBondContact CD-O 3.38Å; R186-G215 PolarHBondContact NH1-O 3.4Å |
| 187 | Q | 84.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.9 | 171.8 | -173 | 174.5 | -2.3 | 0 | 0 | 110.2 | G189 Y192 N213 G215 M237 T241 | Q187-G189 WeakPolarHBondContact CG-O 3.17Å; Q187-G189 PolarHBondContact NE2-O 3.21Å; Q187-Y192 HydrophobicContact CB-CD1 4.4Å; Q187-Y192 HydrophobicContact CG-CD1 4.26Å; Q187-Y192 HydrophobicContact CG-CE1 4.14Å; Q187-N213 HydrophobicContact CG-CB 4.46Å; Q187-N213 WeakPolarHBondContact CG-O 3.22Å; Q187-G215 PolarHBondContact N-O 2.94Å; Q187-M237 HydrophobicContact CB-CE 4.27Å; Q187-T241 PolarHBondContact NE2-OG1 3.21Å |
| 188 | E | 78.3 | Confident | 88 | Confident | 21 Ų | 21 | 17.4 Ų | 17.4 | 10% | 0.098 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 95 | 171 | -167.8 | 175.1 | -139.9 | 0 | 0 | 107.5 | R42 A190 T191 L193 N205 | R42-E188 IonicContact CZ-OE2 2.7Å; R42-E188 VanDerWaalsContact CZ-OE2 3.31Å; R42-E188 IonicContact NH1-OE2 3.56Å; R42-E188 PolarHBondContact NH1-OE2 2.99Å; R42-E188 IonicContact NH2-OE2 3.27Å; R42-E188 PolarHBondContact NH2-OE2 2.9Å; E188-A190 PolarHBondContact O-N 3.2Å; E188-A190 VanDerWaalsContact O-N 3.16Å; E188-T191 PolarHBondContact N-O 2.88Å; E188-T191 PolarHBondContact O-N 2.98Å; E188-T191 PolarHBondContact O-OG1 2.94Å; E188-L193 HydrophobicContact CB-CD1 4.38Å; E188-N205 VanDerWaalsContact OE1-CB 3.31Å; E188-N205 WeakPolarHBondContact OE1-CB 3.46Å; E188-N205 PolarHBondContact OE1-ND2 2.86Å |
| 189 | G | 77.1 | Confident | 87.4 | Confident | 18 Ų | 18 | 20.8 Ų | 20.8 | 19% | 0.186 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -113.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q187 | Q187-G189 WeakPolarHBondContact CG-O 3.17Å; Q187-G189 PolarHBondContact NE2-O 3.21Å |
| 190 | A | 74.2 | Confident | 86.8 | Confident | 89 Ų | 89 | 20.5 Ų | 20.5 | 74% | 0.736 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -5.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E188 | E188-A190 PolarHBondContact O-N 3.2Å; E188-A190 VanDerWaalsContact O-N 3.16Å |
| 191 | T | 81.7 | Confident | 86.1 | Confident | 60 Ų | 60 | 23.1 Ų | 23.1 | 37% | 0.368 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146.5 | -174 | 60.5 | 0 | 0 | 0 | 0 | 112 | E188 | E188-T191 PolarHBondContact N-O 2.88Å; E188-T191 PolarHBondContact O-N 2.98Å; E188-T191 PolarHBondContact O-OG1 2.94Å |
| 192 | Y | 84.3 | Confident | 85.2 | Confident | 50 Ų | 50 | 27.8 Ų | 27.8 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.4 | 175.6 | -52.5 | -66.2 | 0 | 0 | 0 | 110.6 | I185 Q187 T241 | I185-Y192 HydrophobicContact CG2-CD1 4.23Å; I185-Y192 HydrophobicContact CG2-CG 4.46Å; Q187-Y192 HydrophobicContact CB-CD1 4.4Å; Q187-Y192 HydrophobicContact CG-CD1 4.26Å; Q187-Y192 HydrophobicContact CG-CE1 4.14Å; Y192-T241 WeakPolarHBondContact CE1-O 3.36Å; Y192-T241 WeakPolarHBondContact OH-CA 3.22Å; Y192-T241 WeakPolarHBondContact OH-CB 3.36Å; Y192-T241 PolarHBondContact OH-O 2.67Å |
| 193 | L | 86.4 | Confident | 83.8 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 107.3 | 173.6 | -58.3 | 174.6 | 0 | 0 | 0 | 108.2 | R42 I185 R186 E188 | R42-L193 HydrophobicContact CG-CD2 4.26Å; I185-L193 CarbonylContact C-O 3.45Å; I185-L193 VanDerWaalsContact CA-O 3.28Å; I185-L193 WeakPolarHBondContact CA-O 3.43Å; R186-L193 HydrophobicContact CB-CB 4.33Å; R186-L193 PolarHBondContact N-O 3.01Å; R186-L193 WeakPolarHBondContact O-CB 3.28Å; R186-L193 PolarHBondContact O-N 3.13Å; E188-L193 HydrophobicContact CB-CD1 4.38Å |
| 194 | I | 88.6 | Confident | 81.7 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 137.9 | 174.2 | -52.7 | -172.3 | 0 | 0 | 0 | 110.9 | R36 R40 V45 V47 I185 T248 | R36-I194 PolarHBondContact NH1-O 2.88Å; R40-I194 PolarHBondContact NH1-O 3.48Å; V45-I194 VanDerWaalsContact CA-CD1 3.45Å; V45-I194 HydrophobicContact CB-CD1 3.6Å; V45-I194 HydrophobicContact CG1-CD1 3.2Å; V45-I194 HydrophobicContact CG2-CD1 3.88Å; V47-I194 HydrophobicContact CG2-CG2 4.26Å; I185-I194 HydrophobicContact CD1-CG1 3.99Å; I185-I194 HydrophobicContact CG1-CB 4.43Å; I185-I194 HydrophobicContact CG1-CG1 4.06Å; I194-T248 HydrophobicContact CD1-CG2 3.4Å; I194-T248 HydrophobicContact CG1-CG2 3.73Å |
| 195 | D | 88.7 | Confident | 79.6 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 52.5 | 68.3 | 176.6 | -170.6 | 30.3 | 0 | 0 | 0 | 111.4 | R40 V47 R48 A156 H160 S184 | R40-D195 PolarHBondContact NH1-O 3.13Å; R40-D195 PolarHBondContact NH2-O 3.39Å; V47-D195 HydrophobicContact CG1-CB 4.18Å; R48-D195 VanDerWaalsContact CB-OD2 3.24Å; R48-D195 WeakPolarHBondContact CB-OD2 3.43Å; R48-D195 WeakPolarHBondContact CG-OD2 3.38Å; R48-D195 IonicContact CZ-OD1 2.84Å; R48-D195 IonicContact CZ-OD2 3.93Å; R48-D195 PolarHBondContact N-OD2 2.92Å; R48-D195 VanDerWaalsContact N-OD2 3.13Å; R48-D195 IonicContact NE-OD1 3.8Å; R48-D195 PolarHBondContact NE-OD1 3.39Å; R48-D195 IonicContact NE-OD2 3.31Å; R48-D195 PolarHBondContact NE-OD2 2.63Å; R48-D195 IonicContact NH2-OD1 3.72Å; R48-D195 PolarHBondContact NH2-OD1 3Å; R48-D195 IonicContact NH2-OD2 3.32Å; A156-D195 VanDerWaalsContact CB-OD1 3.31Å; A156-D195 WeakPolarHBondContact CB-OD1 2.93Å; H160-D195 IonicContact CE1-OD1 3.23Å; H160-D195 IonicContact NE2-OD1 3.65Å; H160-D195 PolarHBondContact NE2-OD1 3.21Å; S184-D195 WeakPolarHBondContact O-CA 3.21Å; S184-D195 PolarHBondContact O-N 2.94Å |
| 196 | P | 87.8 | Confident | 77.4 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | trans | -69.8 | 146.7 | -174.7 | 30.8 | -36.8 | 0 | 0 | 0 | 111.6 | R48 S184 R186 E200 E201 | R48-P196 PolarHBondContact NH2-O 3.41Å; S184-P196 WeakPolarHBondContact O-CD 3.33Å; R186-P196 HydrophobicContact CB-CB 3.85Å; R186-P196 HydrophobicContact CB-CG 4.04Å; P196-E200 WeakPolarHBondContact CA-OE2 3.43Å; P196-E200 HydrophobicContact CB-CB 4Å; P196-E201 HydrophobicContact CB-CG 3.92Å; P196-E201 HydrophobicContact CG-CG 3.71Å | ||
| 197 | T | 88 | Confident | 75.3 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | trans | -76.9 | 163.6 | 170.7 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | D38 D154 L199 E200 E201 | D38-T197 WeakPolarHBondContact OD2-CG2 3.44Å; D154-T197 CarbonylContact O-C 3.47Å; D154-T197 VanDerWaalsContact O-CA 3.25Å; D154-T197 WeakPolarHBondContact O-CA 3.36Å; T197-L199 PolarHBondContact O-N 3.45Å; T197-L199 VanDerWaalsContact O-N 3.13Å; T197-E200 PolarHBondContact N-OE2 3.19Å; T197-E200 WeakPolarHBondContact O-CA 3.47Å; T197-E200 PolarHBondContact O-N 2.77Å; T197-E200 WeakPolarHBondContact OG1-CG 3.25Å; T197-E200 PolarHBondContact OG1-N 3.04Å; T197-E200 PolarHBondContact OG1-OE2 3.38Å; T197-E201 PolarHBondContact O-N 3.47Å | ||
| 198 | F | 86.2 | Confident | 73.5 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.1 | -34.5 | 175.5 | 178.8 | -93.2 | 0 | 0 | 0 | 112.2 | R108 D154 E200 N202 | R108-F198 HydrophobicContact CG-CE1 4.29Å; D154-F198 VanDerWaalsContact C-N 3.31Å; D154-F198 PolarHBondContact O-N 3.31Å; F198-E200 VanDerWaalsContact C-N 3.34Å; F198-N202 HydrophobicContact CE1-CB 4.4Å; F198-N202 WeakPolarHBondContact CZ-ND2 3.5Å; F198-N202 WeakPolarHBondContact O-CB 3.22Å; F198-N202 PolarHBondContact O-N 2.9Å |
| 199 | L | 82.6 | Confident | 71.8 | Confident | 85 Ų | 85 | 57.3 Ų | 57.3 | 45% | 0.445 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71 | -27.1 | 175.8 | -74.3 | 178.8 | 0 | 0 | 0 | 113.4 | T197 G203 | T197-L199 PolarHBondContact O-N 3.45Å; T197-L199 VanDerWaalsContact O-N 3.13Å; L199-G203 WeakPolarHBondContact O-CA 3.28Å; L199-G203 PolarHBondContact O-N 2.93Å |
| 200 | E | 81.2 | Confident | 70.5 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 8% | 0.075 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -84.8 | -31.8 | 176.8 | -69.7 | 168.2 | 156.1 | 0 | 0 | 111.3 | P196 T197 F198 | P196-E200 WeakPolarHBondContact CA-OE2 3.43Å; P196-E200 HydrophobicContact CB-CB 4Å; T197-E200 PolarHBondContact N-OE2 3.19Å; T197-E200 WeakPolarHBondContact O-CA 3.47Å; T197-E200 PolarHBondContact O-N 2.77Å; T197-E200 WeakPolarHBondContact OG1-CG 3.25Å; T197-E200 PolarHBondContact OG1-N 3.04Å; T197-E200 PolarHBondContact OG1-OE2 3.38Å; F198-E200 VanDerWaalsContact C-N 3.34Å |
| 201 | E | 81.1 | Confident | 69.6 | Low | 56 Ų | 56 | 65.5 Ų | 65.5 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.5 | -52.2 | 173.4 | -69.7 | -176.9 | 161.7 | 0 | 0 | 111.7 | G155 A156 P196 T197 G203 | G155-E201 VanDerWaalsContact CA-OE2 3.22Å; G155-E201 WeakPolarHBondContact CA-OE2 3.44Å; A156-E201 WeakPolarHBondContact CA-OE1 3.45Å; A156-E201 PolarHBondContact N-OE1 3.26Å; P196-E201 HydrophobicContact CB-CG 3.92Å; P196-E201 HydrophobicContact CG-CG 3.71Å; T197-E201 PolarHBondContact O-N 3.47Å; E201-G203 PolarHBondContact O-N 2.84Å |
| 202 | N | 77.4 | Confident | 68.6 | Low | 99 Ų | 99 | 69.2 Ų | 69.2 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -82.9 | -7.4 | 177.5 | -67.9 | 36 | 0 | 0 | 0 | 112.4 | F198 Y204 | F198-N202 HydrophobicContact CE1-CB 4.4Å; F198-N202 WeakPolarHBondContact CZ-ND2 3.5Å; F198-N202 WeakPolarHBondContact O-CB 3.22Å; F198-N202 PolarHBondContact O-N 2.9Å; N202-Y204 PolarHBondContact O-N 2.91Å |
| 203 | G | 65.4 | Low | 67.6 | Low | 22 Ų | 22 | 69 Ų | 69 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | trans | -62.6 | 102.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L199 E201 N205 | L199-G203 WeakPolarHBondContact O-CA 3.28Å; L199-G203 PolarHBondContact O-N 2.93Å; E201-G203 PolarHBondContact O-N 2.84Å; G203-N205 PolarHBondContact O-N 2.86Å | ||
| 204 | Y | 50 | Low | 67.2 | Low | 204 Ų | 204 | 72.3 Ų | 72.3 | 80% | 0.8 | 40% | 0.396 | S | S | * | . | trans | -62.4 | 71.5 | 148.7 | -81.9 | -97.1 | 0 | 0 | 0 | 109.4 | N202 L206 | N202-Y204 PolarHBondContact O-N 2.91Å; Y204-L206 PolarHBondContact O-N 3.31Å | ||
| 205 | N | 47.3 | Very low | 67 | Low | 81 Ų | 81 | 72.2 Ų | 72.2 | 43% | 0.433 | 40% | 0.396 | S | S | . | . | trans | -70.8 | 70.7 | 158.1 | -84.5 | -18.9 | 0 | 0 | 0 | 108.1 | E188 G203 A207 | E188-N205 VanDerWaalsContact OE1-CB 3.31Å; E188-N205 WeakPolarHBondContact OE1-CB 3.46Å; E188-N205 PolarHBondContact OE1-ND2 2.86Å; G203-N205 PolarHBondContact O-N 2.86Å; N205-A207 PolarHBondContact O-N 3Å | ||
| 206 | L | 45.6 | Very low | 67 | Low | 141 Ų | 141 | 73.6 Ų | 73.6 | 74% | 0.738 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | 37.4 | 170.6 | -163 | 78.1 | 0 | 0 | 0 | 110.5 | Y204 | Y204-L206 PolarHBondContact O-N 3.31Š|
| 207 | A | 45 | Very low | 67.2 | Low | 93 Ų | 93 | 73.6 Ų | 73.6 | 77% | 0.769 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | -31.2 | -174 | 0 | 0 | 0 | 0 | 0 | 112.4 | N205 | N205-A207 PolarHBondContact O-N 3Š|
| 208 | S | 46.8 | Very low | 67.5 | Low | 56 Ų | 56 | 74.5 Ų | 74.5 | 39% | 0.392 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -86.6 | 114.4 | 162.9 | 45.5 | 0 | 0 | 0 | 0 | 107.5 | S210 | S208-S210 PolarHBondContact O-N 3.46Š|
| 209 | G | 43.5 | Very low | 68 | Low | 88 Ų | 88 | 73.1 Ų | 73.1 | 91% | 0.907 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -59.1 | 8.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R211 | G209-R211 PolarHBondContact O-N 2.8Š|
| 210 | S | 49.9 | Very low | 68.7 | Low | 68 Ų | 68 | 69.1 Ų | 69.1 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | trans | -88.2 | 93.2 | 172.1 | -51.9 | 0 | 0 | 0 | 0 | 108.9 | S208 E212 | S208-S210 PolarHBondContact O-N 3.46Å; S210-E212 PolarHBondContact O-N 3.16Å | ||
| 211 | R | 54.3 | Low | 69.4 | Low | 211 Ų | 211 | 68.4 Ų | 68.4 | 80% | 0.796 | 38% | 0.381 | S | S | * | . | trans | -69.9 | -6.4 | 167.5 | -95.9 | 176.4 | 152.6 | 164.9 | -7.1 | 113.2 | G209 | G209-R211 PolarHBondContact O-N 2.8Š| ||
| 212 | E | 60.2 | Low | 70.1 | Confident | 138 Ų | 138 | 65.9 Ų | 65.9 | 65% | 0.645 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -91.8 | 139.8 | -173.2 | -61.2 | 174 | -177.7 | 0 | 0 | 110.1 | S210 | S210-E212 PolarHBondContact O-N 3.16Š|
| 213 | N | 63.2 | Low | 70.9 | Confident | 46 Ų | 46 | 61.6 Ų | 61.6 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | trans | 67.5 | 56 | 175.9 | -49.8 | -64.9 | 0 | 0 | 0 | 115.7 | Q187 E236 | Q187-N213 HydrophobicContact CG-CB 4.46Å; Q187-N213 WeakPolarHBondContact CG-O 3.22Å; N213-E236 CarbonylContact C-O 3.34Å; N213-E236 VanDerWaalsContact CA-O 3.26Å; N213-E236 WeakPolarHBondContact CA-O 3.35Å | ||
| 214 | L | 78.8 | Confident | 72.2 | Confident | 74 Ų | 74 | 64.2 Ų | 64.2 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | trans | -102.6 | 75.9 | 172.3 | -75.2 | 162.8 | 0 | 0 | 0 | 110.3 | R186 E236 | R186-L214 PolarHBondContact NH1-O 3.07Å; L214-E236 CarbonylContact C-O 3.51Å; L214-E236 PolarHBondContact N-O 2.97Å; L214-E236 PolarHBondContact O-N 3.32Å | ||
| 215 | G | 83.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 149.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R186 Q187 D234 E236 | R186-G215 WeakPolarHBondContact CD-O 3.38Å; R186-G215 PolarHBondContact NH1-O 3.4Å; Q187-G215 PolarHBondContact N-O 2.94Å; G215-D234 CarbonylContact C-O 3.49Å; G215-D234 WeakPolarHBondContact CA-O 3.46Å; G215-E236 PolarHBondContact N-O 3.36Å |
| 216 | S | 89.6 | Confident | 76.6 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133.8 | 165.2 | 46.7 | 0 | 0 | 0 | 0 | 108.8 | I185 S233 D234 | I185-S216 CarbonylContact O-C 3.57Å; I185-S216 WeakPolarHBondContact O-CA 3.31Å; S216-S233 WeakPolarHBondContact O-CA 3.43Å; S216-D234 PolarHBondContact N-O 3.43Å; S216-D234 PolarHBondContact O-N 2.63Å; S216-D234 PolarHBondContact OG-O 3.27Å |
| 217 | L | 92.4 | Very high | 78.9 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.5 | -176.1 | -174.4 | 68.2 | 0 | 0 | 0 | 108.5 | S184 I185 V219 L231 Q232 M237 L242 V246 | S184-L217 CarbonylContact C-O 3.58Å; S184-L217 VanDerWaalsContact CA-O 3.29Å; S184-L217 WeakPolarHBondContact CA-O 3.37Å; I185-L217 PolarHBondContact N-O 2.75Å; I185-L217 PolarHBondContact O-N 2.79Å; L217-V219 HydrophobicContact CD2-CG2 4.25Å; L217-V219 HydrophobicContact CG-CG2 4.21Å; L217-L231 HydrophobicContact CD1-CD1 3.58Å; L217-L231 HydrophobicContact CD1-CG 4.14Å; L217-L231 HydrophobicContact CG-CD1 4.21Å; L217-Q232 CarbonylContact C-O 3.54Å; L217-Q232 WeakPolarHBondContact CA-O 3.3Å; L217-M237 HydrophobicContact CB-SD 4.38Å; L217-L242 HydrophobicContact CD1-CD1 3.59Å; L217-L242 HydrophobicContact CD2-CD1 4.17Å; L217-L242 HydrophobicContact CG-CD1 4.46Å; L217-V246 HydrophobicContact CD2-CG2 3.76Å |
| 218 | T | 94.4 | Very high | 81.3 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.3 | 170.7 | -61.2 | 0 | 0 | 0 | 0 | 109.4 | L158 A159 S184 L231 Q232 | L158-T218 HydrophobicContact CB-CG2 4.24Å; L158-T218 HydrophobicContact CD2-CG2 3.94Å; L158-T218 HydrophobicContact CG-CG2 4.06Å; A159-T218 HydrophobicContact CB-CG2 4.06Å; S184-T218 WeakPolarHBondContact OG-CG2 3.3Å; S184-T218 PolarHBondContact OG-OG1 2.72Å; T218-L231 WeakPolarHBondContact O-CA 3.26Å; T218-Q232 PolarHBondContact N-O 2.79Å; T218-Q232 PolarHBondContact O-N 3.01Å |
| 219 | V | 95.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.1 | -179.2 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | G182 C183 L217 F221 I228 L231 C249 | G182-V219 CarbonylContact C-O 3.58Å; G182-V219 WeakPolarHBondContact CA-O 3.24Å; C183-V219 PolarHBondContact N-O 2.73Å; C183-V219 PolarHBondContact O-N 2.86Å; L217-V219 HydrophobicContact CD2-CG2 4.25Å; L217-V219 HydrophobicContact CG-CG2 4.21Å; V219-F221 HydrophobicContact CG1-CB 4.32Å; V219-I228 HydrophobicContact CG1-CG1 4.42Å; V219-I228 HydrophobicContact CG1-CG2 4.18Å; V219-L231 HydrophobicContact CB-CD1 4.49Å; V219-L231 HydrophobicContact CG2-CD1 3.51Å; V219-C249 HydrophobicContact CB-CB 3.8Å; V219-C249 HydrophobicContact CG1-CB 4.44Å; V219-C249 HydrophobicContact CG2-CB 3.53Å; V219-C249 VanDerWaalsContact CG2-SG 3.57Å |
| 220 | A | 96.6 | Very high | 85.9 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126 | 164 | 0 | 0 | 0 | 0 | 0 | 109.2 | V162 V180 L181 S229 G230 | V162-A220 HydrophobicContact CG1-CB 4.13Å; V180-A220 HydrophobicContact CG1-CB 4Å; L181-A220 CarbonylContact O-C 3.53Å; L181-A220 WeakPolarHBondContact O-CA 3.37Å; A220-S229 PolarHBondContact O-N 3.13Å; A220-G230 PolarHBondContact N-O 2.95Å; A220-G230 PolarHBondContact O-N 3.35Å |
| 221 | F | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.4 | -168.4 | -179.5 | -113.8 | 0 | 0 | 0 | 112.1 | L181 V219 P223 N226 Q227 I228 I250 C253 F254 | L181-F221 PolarHBondContact N-O 3.41Å; L181-F221 PolarHBondContact O-N 2.81Å; V219-F221 HydrophobicContact CG1-CB 4.32Å; F221-P223 HydrophobicContact CD1-CB 4.14Å; F221-P223 HydrophobicContact CE1-CB 3.89Å; F221-P223 WeakPolarHBondContact O-CD 3.35Å; F221-N226 VanDerWaalsContact CE2-OD1 3.3Å; F221-N226 WeakPolarHBondContact CE2-OD1 3.45Å; F221-N226 HydrophobicContact CZ-CB 4.34Å; F221-N226 WeakPolarHBondContact CZ-OD1 3.29Å; F221-Q227 WeakPolarHBondContact CD2-O 3.48Å; F221-I228 HydrophobicContact CD2-CG1 4.26Å; F221-I250 HydrophobicContact CD2-CG1 4.21Å; F221-I250 HydrophobicContact CE1-CG2 4.02Å; F221-I250 HydrophobicContact CE2-CG1 4.24Å; F221-I250 HydrophobicContact CE2-CG2 4.16Å; F221-I250 HydrophobicContact CZ-CG2 3.78Å; F221-C253 HydrophobicContact CB-CB 4.34Å; F221-C253 HydrophobicContact CD1-CB 3.78Å; F221-C253 HydrophobicContact CG-CB 4.47Å; F221-F254 HydrophobicContact CE1-CD2 4.34Å; F221-F254 HydrophobicContact CE1-CE1 4.25Å; F221-F254 AromaticContact CE1-CE2 3.79Å; F221-F254 HydrophobicContact CE1-CE2 3.79Å; F221-F254 AromaticContact CE1-CZ 3.73Å; F221-F254 HydrophobicContact CE1-CZ 3.73Å; F221-F254 AromaticContact CZ-CE2 3.92Å; F221-F254 HydrophobicContact CZ-CE2 3.92Å; F221-F254 AromaticContact CZ-CZ 3.85Å; F221-F254 HydrophobicContact CZ-CZ 3.85Å |
| 222 | L | 96.2 | Very high | 89.9 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 100.1 | 175 | -64.3 | 147.6 | 0 | 0 | 0 | 107.9 | D178 V180 S224 L225 N226 Q227 | D178-L222 HydrophobicContact CB-CB 4.3Å; D178-L222 HydrophobicContact CB-CD2 3.76Å; D178-L222 WeakPolarHBondContact OD2-CA 3.23Å; V180-L222 HydrophobicContact CG2-CD2 3.85Å; L222-S224 PolarHBondContact O-N 2.91Å; L222-L225 HydrophobicContact CB-CB 4.32Å; L222-L225 PolarHBondContact O-N 2.82Å; L222-N226 WeakPolarHBondContact O-CA 3.29Å; L222-N226 PolarHBondContact O-N 3.17Å; L222-Q227 HydrophobicContact CB-CB 4.48Å; L222-Q227 WeakPolarHBondContact CB-O 3.4Å; L222-Q227 HydrophobicContact CD1-CB 4.13Å; L222-Q227 PolarHBondContact N-O 2.97Å; L222-Q227 PolarHBondContact O-N 3.42Å |
| 223 | P | 94.3 | Very high | 91.4 | Very high | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.065 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -30.7 | -167.2 | 28.5 | -34 | 0 | 0 | 0 | 115 | D178 L179 L181 F221 F254 Y257 | D178-P223 WeakPolarHBondContact OD2-CD 3.38Å; D178-P223 VanDerWaalsContact OD2-N 3.1Å; L179-P223 WeakPolarHBondContact O-CD 3.22Å; L181-P223 HydrophobicContact CD1-CG 4.05Å; L181-P223 HydrophobicContact CG-CG 4.27Å; F221-P223 HydrophobicContact CD1-CB 4.14Å; F221-P223 HydrophobicContact CE1-CB 3.89Å; F221-P223 WeakPolarHBondContact O-CD 3.35Å; P223-F254 HydrophobicContact CB-CD1 4.47Å; P223-F254 HydrophobicContact CB-CE1 4.14Å; P223-Y257 HydrophobicContact CB-CD2 4.19Å; P223-Y257 HydrophobicContact CB-CE2 4.33Å; P223-Y257 HydrophobicContact CB-CG 4.29Å; P223-Y257 HydrophobicContact CG-CD2 3.51Å; P223-Y257 HydrophobicContact CG-CE2 3.45Å; P223-Y257 VanDerWaalsContact CG-CE2 3.45Å; P223-Y257 HydrophobicContact CG-CG 4.1Å |
| 224 | S | 93.2 | Very high | 92.7 | Very high | 77 Ų | 77 | 43.6 Ų | 43.6 | 54% | 0.538 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -36 | 178.4 | -48.2 | 0 | 0 | 0 | 0 | 111.5 | D178 L222 Y257 | D178-S224 VanDerWaalsContact CG-CB 3.43Å; D178-S224 WeakPolarHBondContact OD1-CB 3.35Å; D178-S224 PolarHBondContact OD1-OG 3.13Å; D178-S224 WeakPolarHBondContact OD2-CA 3.46Å; D178-S224 WeakPolarHBondContact OD2-CB 3.45Å; D178-S224 PolarHBondContact OD2-N 3.22Å; D178-S224 PolarHBondContact OD2-OG 3.4Å; L222-S224 PolarHBondContact O-N 2.91Å; S224-Y257 PolarHBondContact OG-OH 3.1Å |
| 225 | L | 93.3 | Very high | 93 | Very high | 84 Ų | 84 | 43.2 Ų | 43.2 | 44% | 0.44 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -12.9 | 177.9 | -65.3 | 175.1 | 0 | 0 | 0 | 113.3 | D178 L222 Q227 | D178-L225 HydrophobicContact CB-CD1 4.31Å; D178-L225 HydrophobicContact CB-CG 4.4Å; D178-L225 PolarHBondContact OD2-N 3.02Å; L222-L225 HydrophobicContact CB-CB 4.32Å; L222-L225 PolarHBondContact O-N 2.82Å; L225-Q227 VanDerWaalsContact C-N 3.27Å; L225-Q227 HydrophobicContact CB-CB 4.3Å; L225-Q227 HydrophobicContact CB-CG 4.15Å; L225-Q227 PolarHBondContact O-N 2.88Å |
| 226 | N | 94.8 | Very high | 93.1 | Very high | 107 Ų | 107 | 49.2 Ų | 49.2 | 57% | 0.572 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 46.5 | -171 | -166.2 | 21.6 | 0 | 0 | 0 | 112.2 | F221 L222 | F221-N226 VanDerWaalsContact CE2-OD1 3.3Å; F221-N226 WeakPolarHBondContact CE2-OD1 3.45Å; F221-N226 HydrophobicContact CZ-CB 4.34Å; F221-N226 WeakPolarHBondContact CZ-OD1 3.29Å; L222-N226 WeakPolarHBondContact O-CA 3.29Å; L222-N226 PolarHBondContact O-N 3.17Å |
| 227 | Q | 94.8 | Very high | 92.8 | Very high | 110 Ų | 110 | 49.3 Ų | 49.3 | 51% | 0.514 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138 | -177.7 | -73.6 | 179.7 | 5.1 | 0 | 0 | 111 | F221 L222 L225 | F221-Q227 WeakPolarHBondContact CD2-O 3.48Å; L222-Q227 HydrophobicContact CB-CB 4.48Å; L222-Q227 WeakPolarHBondContact CB-O 3.4Å; L222-Q227 HydrophobicContact CD1-CB 4.13Å; L222-Q227 PolarHBondContact N-O 2.97Å; L222-Q227 PolarHBondContact O-N 3.42Å; L225-Q227 VanDerWaalsContact C-N 3.27Å; L225-Q227 HydrophobicContact CB-CB 4.3Å; L225-Q227 HydrophobicContact CB-CG 4.15Å; L225-Q227 PolarHBondContact O-N 2.88Å |
| 228 | I | 95.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 50.8 Ų | 50.8 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 124.4 | 172.8 | -61.7 | 170.3 | 0 | 0 | 0 | 107.7 | V219 F221 V246 I250 | V219-I228 HydrophobicContact CG1-CG1 4.42Å; V219-I228 HydrophobicContact CG1-CG2 4.18Å; F221-I228 HydrophobicContact CD2-CG1 4.26Å; I228-V246 HydrophobicContact CD1-CG1 3.68Å; I228-I250 HydrophobicContact CD1-CD1 4.45Å |
| 229 | S | 93.9 | Very high | 92.3 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -37.6 | 177.1 | 179 | 0 | 0 | 0 | 0 | 112.5 | S129 P132 A220 | S129-S229 VanDerWaalsContact C-OG 3.24Å; S129-S229 WeakPolarHBondContact CA-OG 3.4Å; S129-S229 PolarHBondContact O-OG 2.87Å; P132-S229 VanDerWaalsContact CD-OG 3.3Å; P132-S229 WeakPolarHBondContact CD-OG 3.03Å; P132-S229 WeakPolarHBondContact CG-OG 3.38Å; A220-S229 PolarHBondContact O-N 3.13Å |
| 230 | G | 93.9 | Very high | 92 | Very high | 16 Ų | 16 | 64.2 Ų | 64.2 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 146 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | A220 | A220-G230 PolarHBondContact N-O 2.95Å; A220-G230 PolarHBondContact O-N 3.35Å |
| 231 | L | 94.3 | Very high | 91.5 | Very high | 89 Ų | 89 | 65.5 Ų | 65.5 | 47% | 0.466 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 119.1 | -178.7 | -176.1 | 75 | 0 | 0 | 0 | 108.5 | L217 T218 V219 V246 | L217-L231 HydrophobicContact CD1-CD1 3.58Å; L217-L231 HydrophobicContact CD1-CG 4.14Å; L217-L231 HydrophobicContact CG-CD1 4.21Å; T218-L231 WeakPolarHBondContact O-CA 3.26Å; V219-L231 HydrophobicContact CB-CD1 4.49Å; V219-L231 HydrophobicContact CG2-CD1 3.51Å; L231-V246 HydrophobicContact CD1-CG2 4Å |
| 232 | Q | 93.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 67.8 Ų | 67.8 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 124.5 | 171.4 | -175.8 | 69.9 | 18.5 | 0 | 0 | 108.2 | M125 L158 L217 T218 D234 | M125-Q232 VanDerWaalsContact CE-CD 3.48Å; M125-Q232 HydrophobicContact CE-CG 4.27Å; M125-Q232 HydrophobicContact SD-CB 4.44Å; M125-Q232 VanDerWaalsContact SD-CD 3.59Å; M125-Q232 HydrophobicContact SD-CG 3.86Å; L158-Q232 HydrophobicContact CD2-CB 4.36Å; L217-Q232 CarbonylContact C-O 3.54Å; L217-Q232 WeakPolarHBondContact CA-O 3.3Å; T218-Q232 PolarHBondContact N-O 2.79Å; T218-Q232 PolarHBondContact O-N 3.01Å; Q232-D234 PolarHBondContact NE2-OD1 3.46Å |
| 233 | S | 91.8 | Very high | 91.1 | Very high | 51 Ų | 51 | 70.6 Ų | 70.6 | 36% | 0.357 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 116.9 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | S216 | S216-S233 WeakPolarHBondContact O-CA 3.43Å |
| 234 | D | 89.6 | Confident | 90.9 | Very high | 81 Ų | 81 | 71 Ų | 71 | 43% | 0.433 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.1 | 177.9 | -57.3 | -44.6 | 0 | 0 | 0 | 109.3 | G215 S216 Q232 | G215-D234 CarbonylContact C-O 3.49Å; G215-D234 WeakPolarHBondContact CA-O 3.46Å; S216-D234 PolarHBondContact N-O 3.43Å; S216-D234 PolarHBondContact O-N 2.63Å; S216-D234 PolarHBondContact OG-O 3.27Å; Q232-D234 PolarHBondContact NE2-OD1 3.46Å |
| 235 | G | 86.4 | Confident | 90.8 | Very high | 65 Ų | 65 | 67.3 Ų | 67.3 | 67% | 0.67 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 99.7 | -164 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 236 | E | 84.8 | Confident | 90.8 | Very high | 126 Ų | 126 | 64.4 Ų | 64.4 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | trans | -100.4 | 116.6 | -172.8 | -171.6 | 176.4 | -173.1 | 0 | 0 | 110 | N213 L214 G215 | N213-E236 CarbonylContact C-O 3.34Å; N213-E236 VanDerWaalsContact CA-O 3.26Å; N213-E236 WeakPolarHBondContact CA-O 3.35Å; L214-E236 CarbonylContact C-O 3.51Å; L214-E236 PolarHBondContact N-O 2.97Å; L214-E236 PolarHBondContact O-N 3.32Å; G215-E236 PolarHBondContact N-O 3.36Å | ||
| 237 | M | 84.3 | Confident | 90.7 | Very high | 34 Ų | 34 | 67.3 Ų | 67.3 | 17% | 0.167 | 37% | 0.372 | C | S | . | . | trans | -137.9 | 133.4 | 175.2 | -59.1 | -176.1 | 71.8 | 0 | 0 | 109.3 | Q187 L217 L242 | Q187-M237 HydrophobicContact CB-CE 4.27Å; L217-M237 HydrophobicContact CB-SD 4.38Å; M237-L242 HydrophobicContact CB-CB 4.43Å; M237-L242 HydrophobicContact CE-CD1 4.12Å; M237-L242 HydrophobicContact SD-CD1 3.91Å | ||
| 238 | G | 86.3 | Confident | 90.6 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | trans | -70.8 | 156.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D240 T241 L242 | G238-D240 PolarHBondContact O-N 2.77Å; G238-T241 PolarHBondContact N-OG1 2.71Å; G238-T241 VanDerWaalsContact N-OG1 3.08Å; G238-T241 PolarHBondContact O-N 3.3Å; G238-T241 VanDerWaalsContact O-N 3.11Å; G238-T241 PolarHBondContact O-OG1 3.13Å; G238-L242 WeakPolarHBondContact O-CB 3.16Å; G238-L242 PolarHBondContact O-N 3.4Å | ||
| 239 | E | 88.8 | Confident | 90.4 | Very high | 161 Ų | 161 | 59.4 Ų | 59.4 | 75% | 0.752 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -57.6 | -46.4 | -177 | -176.2 | 178.9 | 176 | 0 | 0 | 113.2 | T241 L242 T243 | E239-T241 VanDerWaalsContact C-N 3.26Å; E239-T241 PolarHBondContact O-N 3.13Å; E239-L242 PolarHBondContact O-N 3.46Å; E239-T243 PolarHBondContact O-N 2.92Å; E239-T243 PolarHBondContact O-OG1 3.06Å |
| 240 | D | 89.1 | Confident | 90.4 | Very high | 145 Ų | 145 | 59.9 Ų | 59.9 | 78% | 0.775 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.7 | -41 | 177.3 | -67.9 | -34.6 | 0 | 0 | 0 | 111.1 | G238 T243 G244 | G238-D240 PolarHBondContact O-N 2.77Å; D240-T243 PolarHBondContact O-N 2.87Å; D240-G244 PolarHBondContact O-N 2.92Å |
| 241 | T | 87.3 | Confident | 90.3 | Very high | 29 Ų | 29 | 64.1 Ų | 64.1 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -74.5 | -34.5 | -178.6 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | Q187 Y192 G238 E239 G244 G245 | Q187-T241 PolarHBondContact NE2-OG1 3.21Å; Y192-T241 WeakPolarHBondContact CE1-O 3.36Å; Y192-T241 WeakPolarHBondContact OH-CA 3.22Å; Y192-T241 WeakPolarHBondContact OH-CB 3.36Å; Y192-T241 PolarHBondContact OH-O 2.67Å; G238-T241 PolarHBondContact N-OG1 2.71Å; G238-T241 VanDerWaalsContact N-OG1 3.08Å; G238-T241 PolarHBondContact O-N 3.3Å; G238-T241 VanDerWaalsContact O-N 3.11Å; G238-T241 PolarHBondContact O-OG1 3.13Å; E239-T241 VanDerWaalsContact C-N 3.26Å; E239-T241 PolarHBondContact O-N 3.13Å; T241-G244 PolarHBondContact O-N 3.31Å; T241-G245 PolarHBondContact O-N 3.29Å |
| 242 | L | 90.4 | Very high | 90.2 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 173.5 | -178.7 | 63.3 | 0 | 0 | 0 | 110.4 | L217 M237 G238 E239 G244 G245 V246 | L217-L242 HydrophobicContact CD1-CD1 3.59Å; L217-L242 HydrophobicContact CD2-CD1 4.17Å; L217-L242 HydrophobicContact CG-CD1 4.46Å; M237-L242 HydrophobicContact CB-CB 4.43Å; M237-L242 HydrophobicContact CE-CD1 4.12Å; M237-L242 HydrophobicContact SD-CD1 3.91Å; G238-L242 WeakPolarHBondContact O-CB 3.16Å; G238-L242 PolarHBondContact O-N 3.4Å; E239-L242 PolarHBondContact O-N 3.46Å; L242-G244 PolarHBondContact O-N 2.95Å; L242-G245 PolarHBondContact O-N 3.23Å; L242-G245 VanDerWaalsContact O-N 3.17Å; L242-V246 WeakPolarHBondContact O-CG2 3.33Å; L242-V246 PolarHBondContact O-N 2.95Å |
| 243 | T | 92.5 | Very high | 90.1 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | E239 D240 R247 | E239-T243 PolarHBondContact O-N 2.92Å; E239-T243 PolarHBondContact O-OG1 3.06Å; D240-T243 PolarHBondContact O-N 2.87Å; T243-R247 WeakPolarHBondContact O-CG 3.33Å; T243-R247 PolarHBondContact O-N 3.36Å |
| 244 | G | 90.7 | Very high | 90.2 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 20% | 0.196 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D240 T241 L242 R247 T248 | D240-G244 PolarHBondContact O-N 2.92Å; T241-G244 PolarHBondContact O-N 3.31Å; L242-G244 PolarHBondContact O-N 2.95Å; G244-R247 PolarHBondContact O-N 3.29Å; G244-T248 WeakPolarHBondContact O-CB 3.48Å; G244-T248 PolarHBondContact O-N 2.93Å; G244-T248 PolarHBondContact O-OG1 2.89Å |
| 245 | G | 90.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I185 T241 L242 R247 T248 C249 | I185-G245 WeakPolarHBondContact CD1-O 3.44Å; T241-G245 PolarHBondContact O-N 3.29Å; L242-G245 PolarHBondContact O-N 3.23Å; L242-G245 VanDerWaalsContact O-N 3.17Å; G245-R247 PolarHBondContact O-N 2.73Å; G245-T248 WeakPolarHBondContact O-CB 2.83Å; G245-T248 PolarHBondContact O-N 3.47Å; G245-T248 VanDerWaalsContact O-N 3.17Å; G245-C249 PolarHBondContact O-N 2.91Å |
| 246 | V | 93.8 | Very high | 90.5 | Very high | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | L217 I228 L231 L242 T248 C249 I250 | L217-V246 HydrophobicContact CD2-CG2 3.76Å; I228-V246 HydrophobicContact CD1-CG1 3.68Å; L231-V246 HydrophobicContact CD1-CG2 4Å; L242-V246 WeakPolarHBondContact O-CG2 3.33Å; L242-V246 PolarHBondContact O-N 2.95Å; V246-T248 VanDerWaalsContact C-N 3.31Å; V246-T248 PolarHBondContact O-N 2.95Å; V246-C249 WeakPolarHBondContact O-CB 3.32Å; V246-C249 PolarHBondContact O-N 3.02Å; V246-I250 HydrophobicContact CG1-CD1 4.02Å; V246-I250 WeakPolarHBondContact O-CG1 3.27Å; V246-I250 PolarHBondContact O-N 2.83Å |
| 247 | R | 93.2 | Very high | 90.9 | Very high | 167 Ų | 167 | 54.2 Ų | 54.2 | 63% | 0.63 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 176.8 | -70 | 173.8 | -176.2 | 172.5 | 4 | 111.7 | T243 G244 G245 C249 I250 E251 | T243-R247 WeakPolarHBondContact O-CG 3.33Å; T243-R247 PolarHBondContact O-N 3.36Å; G244-R247 PolarHBondContact O-N 3.29Å; G245-R247 PolarHBondContact O-N 2.73Å; R247-C249 VanDerWaalsContact C-N 3.33Å; R247-C249 PolarHBondContact O-N 3.16Å; R247-I250 WeakPolarHBondContact O-CB 3.33Å; R247-I250 PolarHBondContact O-N 2.93Å; R247-E251 PolarHBondContact O-N 2.83Å; R247-E251 VanDerWaalsContact O-N 3.07Å |
| 248 | T | 91.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 16% | 0.16 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -37.7 | 177.3 | -53.4 | 0 | 0 | 0 | 0 | 111.6 | V45 I185 I194 G244 G245 V246 E251 G252 | V45-T248 HydrophobicContact CG2-CG2 4.33Å; I185-T248 HydrophobicContact CD1-CG2 3.67Å; I194-T248 HydrophobicContact CD1-CG2 3.4Å; I194-T248 HydrophobicContact CG1-CG2 3.73Å; G244-T248 WeakPolarHBondContact O-CB 3.48Å; G244-T248 PolarHBondContact O-N 2.93Å; G244-T248 PolarHBondContact O-OG1 2.89Å; G245-T248 WeakPolarHBondContact O-CB 2.83Å; G245-T248 PolarHBondContact O-N 3.47Å; G245-T248 VanDerWaalsContact O-N 3.17Å; V246-T248 VanDerWaalsContact C-N 3.31Å; V246-T248 PolarHBondContact O-N 2.95Å; T248-E251 PolarHBondContact O-N 3.36Å; T248-G252 PolarHBondContact O-N 2.87Å |
| 249 | C | 91.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 173.6 | -79.1 | 0 | 0 | 0 | 0 | 111.4 | C183 I185 V219 G245 V246 R247 E251 G252 C253 | C183-C249 HydrophobicContact CB-CB 4.42Å; I185-C249 HydrophobicContact CD1-CB 4.08Å; I185-C249 WeakPolarHBondContact CD1-SG 3.25Å; I185-C249 WeakPolarHBondContact CG1-SG 2.85Å; V219-C249 HydrophobicContact CB-CB 3.8Å; V219-C249 HydrophobicContact CG1-CB 4.44Å; V219-C249 HydrophobicContact CG2-CB 3.53Å; V219-C249 VanDerWaalsContact CG2-SG 3.57Å; G245-C249 PolarHBondContact O-N 2.91Å; V246-C249 WeakPolarHBondContact O-CB 3.32Å; V246-C249 PolarHBondContact O-N 3.02Å; R247-C249 VanDerWaalsContact C-N 3.33Å; R247-C249 PolarHBondContact O-N 3.16Å; C249-E251 VanDerWaalsContact C-N 3.33Å; C249-E251 PolarHBondContact O-N 2.84Å; C249-G252 WeakPolarHBondContact O-CA 3.45Å; C249-G252 PolarHBondContact O-N 2.97Å; C249-G252 VanDerWaalsContact O-N 3.1Å; C249-C253 PolarHBondContact O-N 2.87Å; C249-C253 PolarHBondContact O-SG 2.98Å |
| 250 | I | 93.8 | Very high | 91.9 | Very high | 33 Ų | 33 | 48.9 Ų | 48.9 | 17% | 0.169 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 179.5 | -68.3 | 165.1 | 0 | 0 | 0 | 110.2 | F221 I228 V246 R247 G252 C253 F254 | F221-I250 HydrophobicContact CD2-CG1 4.21Å; F221-I250 HydrophobicContact CE1-CG2 4.02Å; F221-I250 HydrophobicContact CE2-CG1 4.24Å; F221-I250 HydrophobicContact CE2-CG2 4.16Å; F221-I250 HydrophobicContact CZ-CG2 3.78Å; I228-I250 HydrophobicContact CD1-CD1 4.45Å; V246-I250 HydrophobicContact CG1-CD1 4.02Å; V246-I250 WeakPolarHBondContact O-CG1 3.27Å; V246-I250 PolarHBondContact O-N 2.83Å; R247-I250 WeakPolarHBondContact O-CB 3.33Å; R247-I250 PolarHBondContact O-N 2.93Å; I250-G252 VanDerWaalsContact C-N 3.3Å; I250-G252 PolarHBondContact O-N 3.43Å; I250-C253 PolarHBondContact O-N 3.5Å; I250-F254 HydrophobicContact CG2-CD2 3.8Å; I250-F254 HydrophobicContact CG2-CE2 3.5Å; I250-F254 VanDerWaalsContact O-CD2 3.23Å; I250-F254 WeakPolarHBondContact O-CD2 3.46Å; I250-F254 PolarHBondContact O-N 3.33Å |
| 251 | E | 92.6 | Very high | 92.1 | Very high | 105 Ų | 105 | 46.3 Ų | 46.3 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 174 | -68.9 | 178.8 | -168.7 | 0 | 0 | 112.2 | V45 R247 T248 C249 F254 K255 | V45-E251 HydrophobicContact CG1-CB 3.94Å; R247-E251 PolarHBondContact O-N 2.83Å; R247-E251 VanDerWaalsContact O-N 3.07Å; T248-E251 PolarHBondContact O-N 3.36Å; C249-E251 VanDerWaalsContact C-N 3.33Å; C249-E251 PolarHBondContact O-N 2.84Å; E251-F254 PolarHBondContact O-N 2.74Å; E251-K255 WeakPolarHBondContact O-CG 3.41Å; E251-K255 PolarHBondContact O-N 2.82Å |
| 252 | G | 91.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | T248 C249 I250 F254 K255 L256 | T248-G252 PolarHBondContact O-N 2.87Å; C249-G252 WeakPolarHBondContact O-CA 3.45Å; C249-G252 PolarHBondContact O-N 2.97Å; C249-G252 VanDerWaalsContact O-N 3.1Å; I250-G252 VanDerWaalsContact C-N 3.3Å; I250-G252 PolarHBondContact O-N 3.43Å; G252-F254 VanDerWaalsContact C-N 3.34Å; G252-F254 PolarHBondContact O-N 3.35Å; G252-K255 PolarHBondContact O-N 3.38Å; G252-L256 PolarHBondContact O-N 2.98Å |
| 253 | C | 92.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 175.9 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | L181 C183 F221 C249 I250 K255 L256 Y257 | L181-C253 HydrophobicContact CB-CB 4.15Å; L181-C253 HydrophobicContact CD1-CB 4.3Å; L181-C253 VanDerWaalsContact CD1-O 3.22Å; L181-C253 WeakPolarHBondContact CD1-O 3.33Å; C183-C253 WeakPolarHBondContact CB-SG 3.27Å; F221-C253 HydrophobicContact CB-CB 4.34Å; F221-C253 HydrophobicContact CD1-CB 3.78Å; F221-C253 HydrophobicContact CG-CB 4.47Å; C249-C253 PolarHBondContact O-N 2.87Å; C249-C253 PolarHBondContact O-SG 2.98Å; I250-C253 PolarHBondContact O-N 3.5Å; C253-K255 VanDerWaalsContact C-N 3.26Å; C253-K255 PolarHBondContact O-N 3.11Å; C253-L256 PolarHBondContact O-N 3.11Å; C253-L256 VanDerWaalsContact O-N 3.15Å; C253-Y257 PolarHBondContact O-N 2.93Å |
| 254 | F | 92.8 | Very high | 92.6 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -32.8 | 176.9 | -82.3 | -62 | 0 | 0 | 0 | 113 | F221 P223 I250 E251 G252 P258 | F221-F254 HydrophobicContact CE1-CD2 4.34Å; F221-F254 HydrophobicContact CE1-CE1 4.25Å; F221-F254 AromaticContact CE1-CE2 3.79Å; F221-F254 HydrophobicContact CE1-CE2 3.79Å; F221-F254 AromaticContact CE1-CZ 3.73Å; F221-F254 HydrophobicContact CE1-CZ 3.73Å; F221-F254 AromaticContact CZ-CE2 3.92Å; F221-F254 HydrophobicContact CZ-CE2 3.92Å; F221-F254 AromaticContact CZ-CZ 3.85Å; F221-F254 HydrophobicContact CZ-CZ 3.85Å; P223-F254 HydrophobicContact CB-CD1 4.47Å; P223-F254 HydrophobicContact CB-CE1 4.14Å; I250-F254 HydrophobicContact CG2-CD2 3.8Å; I250-F254 HydrophobicContact CG2-CE2 3.5Å; I250-F254 VanDerWaalsContact O-CD2 3.23Å; I250-F254 WeakPolarHBondContact O-CD2 3.46Å; I250-F254 PolarHBondContact O-N 3.33Å; E251-F254 PolarHBondContact O-N 2.74Å; G252-F254 VanDerWaalsContact C-N 3.34Å; G252-F254 PolarHBondContact O-N 3.35Å; F254-P258 WeakPolarHBondContact O-CD 3.42Å |
| 255 | K | 91 | Very high | 92.7 | Very high | 103 Ų | 103 | 48.3 Ų | 48.3 | 45% | 0.448 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.1 | -34.2 | 174.8 | -68.8 | -177.5 | -177.8 | -164.5 | 0 | 112.9 | V45 E251 G252 C253 P258 | V45-K255 HydrophobicContact CG1-CD 3.99Å; V45-K255 WeakPolarHBondContact O-CD 3.45Å; V45-K255 WeakPolarHBondContact O-CE 3.35Å; V45-K255 PolarHBondContact O-NZ 3.41Å; E251-K255 WeakPolarHBondContact O-CG 3.41Å; E251-K255 PolarHBondContact O-N 2.82Å; G252-K255 PolarHBondContact O-N 3.38Å; C253-K255 VanDerWaalsContact C-N 3.26Å; C253-K255 PolarHBondContact O-N 3.11Å; K255-P258 WeakPolarHBondContact O-CD 3.47Å; K255-P258 WeakPolarHBondContact O-CG 3.44Å |
| 256 | L | 91.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.4 | -32.3 | 176.5 | -77.5 | 176.6 | 0 | 0 | 0 | 113.2 | V47 V50 G252 C253 V259 I260 | V47-L256 HydrophobicContact CB-CD2 4.32Å; V47-L256 HydrophobicContact CB-CG 4.5Å; V47-L256 HydrophobicContact CG1-CD1 4.11Å; V47-L256 HydrophobicContact CG1-CD2 3.71Å; V47-L256 HydrophobicContact CG1-CG 4Å; V47-L256 HydrophobicContact CG2-CG 4.32Å; V50-L256 HydrophobicContact CB-CD2 4.28Å; V50-L256 HydrophobicContact CG2-CD2 3.63Å; G252-L256 PolarHBondContact O-N 2.98Å; C253-L256 PolarHBondContact O-N 3.11Å; C253-L256 VanDerWaalsContact O-N 3.15Å; L256-V259 WeakPolarHBondContact O-CB 3.41Å; L256-V259 PolarHBondContact O-N 2.99Å; L256-V259 VanDerWaalsContact O-N 3.14Å; L256-I260 HydrophobicContact CB-CD1 4.39Å; L256-I260 PolarHBondContact O-N 3.41Å |
| 257 | Y | 93.4 | Very high | 92.7 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 18% | 0.18 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -50.1 | -50.5 | -176 | -170.1 | -128.9 | 0 | 0 | 0 | 115.7 | L179 L181 P223 S224 C253 V259 I260 Q261 | L179-Y257 HydrophobicContact CD1-CE2 4.07Å; L181-Y257 HydrophobicContact CD1-CD2 3.93Å; L181-Y257 HydrophobicContact CD1-CG 4.3Å; P223-Y257 HydrophobicContact CB-CD2 4.19Å; P223-Y257 HydrophobicContact CB-CE2 4.33Å; P223-Y257 HydrophobicContact CB-CG 4.29Å; P223-Y257 HydrophobicContact CG-CD2 3.51Å; P223-Y257 HydrophobicContact CG-CE2 3.45Å; P223-Y257 VanDerWaalsContact CG-CE2 3.45Å; P223-Y257 HydrophobicContact CG-CG 4.1Å; S224-Y257 PolarHBondContact OG-OH 3.1Å; C253-Y257 PolarHBondContact O-N 2.93Å; Y257-V259 VanDerWaalsContact C-N 3.31Å; Y257-V259 PolarHBondContact O-N 3.38Å; Y257-I260 PolarHBondContact O-N 3Å; Y257-Q261 HydrophobicContact CD2-CG 4.32Å; Y257-Q261 HydrophobicContact CE1-CG 4.38Å; Y257-Q261 HydrophobicContact CE2-CG 4.08Å; Y257-Q261 WeakPolarHBondContact O-CG 3.36Å; Y257-Q261 PolarHBondContact O-N 2.85Å; Y257-Q261 PolarHBondContact OH-NE2 3.41Å |
| 258 | P | 93.8 | Very high | 92.6 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | -179.8 | 24 | -35.2 | 0 | 0 | 0 | 113.3 | F254 K255 I260 Q261 Q262 | F254-P258 WeakPolarHBondContact O-CD 3.42Å; K255-P258 WeakPolarHBondContact O-CD 3.47Å; K255-P258 WeakPolarHBondContact O-CG 3.44Å; P258-I260 VanDerWaalsContact C-N 3.31Å; P258-I260 PolarHBondContact O-N 2.94Å; P258-Q261 PolarHBondContact O-N 2.86Å; P258-Q262 WeakPolarHBondContact O-CB 3.33Å; P258-Q262 VanDerWaalsContact O-CG 3.27Å; P258-Q262 WeakPolarHBondContact O-CG 3.48Å; P258-Q262 PolarHBondContact O-N 2.85Å |
| 259 | V | 92.8 | Very high | 92.5 | Very high | 57 Ų | 57 | 58.8 Ų | 58.8 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.9 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | L256 Y257 Q262 A263 | L256-V259 WeakPolarHBondContact O-CB 3.41Å; L256-V259 PolarHBondContact O-N 2.99Å; L256-V259 VanDerWaalsContact O-N 3.14Å; Y257-V259 VanDerWaalsContact C-N 3.31Å; Y257-V259 PolarHBondContact O-N 3.38Å; V259-Q262 PolarHBondContact O-N 3Å; V259-A263 PolarHBondContact O-N 3.3Å |
| 260 | I | 94 | Very high | 92.3 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.1 | -43.4 | -179.3 | -68.2 | 164.2 | 0 | 0 | 0 | 111.1 | T163 M167 L179 L181 L256 Y257 P258 Q262 A263 L264 | T163-I260 HydrophobicContact CG2-CD1 3.36Å; T163-I260 HydrophobicContact CG2-CG1 4.32Å; M167-I260 HydrophobicContact CE-CG2 3.94Å; M167-I260 HydrophobicContact CG-CG2 3.98Å; M167-I260 HydrophobicContact SD-CB 4.45Å; M167-I260 HydrophobicContact SD-CG1 4.18Å; M167-I260 HydrophobicContact SD-CG2 3.75Å; L179-I260 HydrophobicContact CD1-CG2 4.08Å; L181-I260 HydrophobicContact CD2-CD1 3.22Å; L181-I260 HydrophobicContact CG-CD1 4.47Å; L256-I260 HydrophobicContact CB-CD1 4.39Å; L256-I260 PolarHBondContact O-N 3.41Å; Y257-I260 PolarHBondContact O-N 3Å; P258-I260 VanDerWaalsContact C-N 3.31Å; P258-I260 PolarHBondContact O-N 2.94Å; I260-Q262 VanDerWaalsContact C-N 3.3Å; I260-Q262 PolarHBondContact O-N 3.03Å; I260-A263 PolarHBondContact O-N 3.21Å; I260-A263 VanDerWaalsContact O-N 3.13Å; I260-L264 HydrophobicContact CG2-CD1 4.16Å; I260-L264 WeakPolarHBondContact O-CG 3.49Å; I260-L264 PolarHBondContact O-N 2.91Å |
| 261 | Q | 93.4 | Very high | 91.9 | Very high | 90 Ų | 90 | 71.6 Ų | 71.6 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 174.1 | -73.1 | -171.3 | -23.7 | 0 | 0 | 112.2 | Y257 P258 A263 L264 S265 | Y257-Q261 HydrophobicContact CD2-CG 4.32Å; Y257-Q261 HydrophobicContact CE1-CG 4.38Å; Y257-Q261 HydrophobicContact CE2-CG 4.08Å; Y257-Q261 WeakPolarHBondContact O-CG 3.36Å; Y257-Q261 PolarHBondContact O-N 2.85Å; Y257-Q261 PolarHBondContact OH-NE2 3.41Å; P258-Q261 PolarHBondContact O-N 2.86Å; Q261-A263 VanDerWaalsContact C-N 3.35Å; Q261-L264 PolarHBondContact O-N 3.02Å; Q261-S265 WeakPolarHBondContact O-CB 3.4Å; Q261-S265 PolarHBondContact O-N 3.47Å; Q261-S265 PolarHBondContact O-OG 3.47Å |
| 262 | Q | 94.4 | Very high | 91.5 | Very high | 111 Ų | 111 | 69.1 Ų | 69.1 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 174.7 | -74 | 179.7 | 13 | 0 | 0 | 112 | P258 V259 I260 S265 K266 | P258-Q262 WeakPolarHBondContact O-CB 3.33Å; P258-Q262 VanDerWaalsContact O-CG 3.27Å; P258-Q262 WeakPolarHBondContact O-CG 3.48Å; P258-Q262 PolarHBondContact O-N 2.85Å; V259-Q262 PolarHBondContact O-N 3Å; I260-Q262 VanDerWaalsContact C-N 3.3Å; I260-Q262 PolarHBondContact O-N 3.03Å; Q262-S265 WeakPolarHBondContact CA-OG 3.39Å; Q262-S265 PolarHBondContact O-OG 2.76Å; Q262-K266 WeakPolarHBondContact O-CB 3.43Å; Q262-K266 WeakPolarHBondContact O-CD 3.37Å; Q262-K266 WeakPolarHBondContact O-CG 3.3Å; Q262-K266 PolarHBondContact O-N 3.08Å |
| 263 | A | 93.3 | Very high | 90.8 | Very high | 14 Ų | 14 | 74.4 Ų | 74.4 | 12% | 0.116 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66 | -42.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V52 M167 V259 I260 Q261 K266 A267 | V52-A263 HydrophobicContact CB-CB 4.07Å; V52-A263 HydrophobicContact CG1-CB 3.6Å; M167-A263 HydrophobicContact CE-CB 4Å; V259-A263 PolarHBondContact O-N 3.3Å; I260-A263 PolarHBondContact O-N 3.21Å; I260-A263 VanDerWaalsContact O-N 3.13Å; Q261-A263 VanDerWaalsContact C-N 3.35Å; A263-K266 PolarHBondContact O-N 3.42Å; A263-A267 WeakPolarHBondContact O-CB 3.18Å; A263-A267 PolarHBondContact O-N 3.1Å |
| 264 | L | 92.5 | Very high | 90 | Very high | 24 Ų | 24 | 80 Ų | 80 | 13% | 0.126 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 176.4 | -72.5 | 173.1 | 0 | 0 | 0 | 112 | M167 V170 L179 I260 Q261 K266 A267 V268 | M167-L264 HydrophobicContact CE-CD2 3.89Å; M167-L264 HydrophobicContact CE-CG 3.87Å; V170-L264 HydrophobicContact CB-CD2 4.01Å; V170-L264 HydrophobicContact CG1-CD1 4.38Å; V170-L264 HydrophobicContact CG1-CD2 3.81Å; V170-L264 HydrophobicContact CG2-CD1 4.35Å; V170-L264 HydrophobicContact CG2-CD2 4.42Å; L179-L264 HydrophobicContact CD1-CD1 3.64Å; L179-L264 HydrophobicContact CD2-CD1 4.1Å; I260-L264 HydrophobicContact CG2-CD1 4.16Å; I260-L264 WeakPolarHBondContact O-CG 3.49Å; I260-L264 PolarHBondContact O-N 2.91Å; Q261-L264 PolarHBondContact O-N 3.02Å; L264-K266 VanDerWaalsContact C-N 3.29Å; L264-K266 PolarHBondContact O-N 2.66Å; L264-A267 WeakPolarHBondContact O-CB 3.31Å; L264-A267 PolarHBondContact O-N 3.11Å; L264-V268 WeakPolarHBondContact O-CG2 3.12Å; L264-V268 PolarHBondContact O-N 3.33Å |
| 265 | S | 93.6 | Very high | 89.2 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 177.2 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | Q261 Q262 R269 | Q261-S265 WeakPolarHBondContact O-CB 3.4Å; Q261-S265 PolarHBondContact O-N 3.47Å; Q261-S265 PolarHBondContact O-OG 3.47Å; Q262-S265 WeakPolarHBondContact CA-OG 3.39Å; Q262-S265 PolarHBondContact O-OG 2.76Å; S265-R269 WeakPolarHBondContact O-CB 3.41Å; S265-R269 VanDerWaalsContact O-CG 3.28Å; S265-R269 WeakPolarHBondContact O-CG 3.33Å; S265-R269 PolarHBondContact O-N 3.09Å |
| 266 | K | 92.3 | Very high | 87.9 | Confident | 121 Ų | 121 | 85.5 Ų | 85.5 | 53% | 0.526 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 171.7 | -74.5 | 170.7 | -174.9 | 172.6 | 0 | 112.1 | Q262 A263 L264 R269 R270 | Q262-K266 WeakPolarHBondContact O-CB 3.43Å; Q262-K266 WeakPolarHBondContact O-CD 3.37Å; Q262-K266 WeakPolarHBondContact O-CG 3.3Å; Q262-K266 PolarHBondContact O-N 3.08Å; A263-K266 PolarHBondContact O-N 3.42Å; L264-K266 VanDerWaalsContact C-N 3.29Å; L264-K266 PolarHBondContact O-N 2.66Å; K266-R269 PolarHBondContact O-N 3.23Å; K266-R270 WeakPolarHBondContact O-CG 3.26Å; K266-R270 PolarHBondContact O-N 3.24Å; K266-R270 VanDerWaalsContact O-N 3.1Å |
| 267 | A | 90.7 | Very high | 86.2 | Confident | 14 Ų | 14 | 93.8 Ų | 93.8 | 12% | 0.116 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | C54 A263 L264 R270 K271 | C54-A267 HydrophobicContact CB-CB 3.79Å; A263-A267 WeakPolarHBondContact O-CB 3.18Å; A263-A267 PolarHBondContact O-N 3.1Å; L264-A267 WeakPolarHBondContact O-CB 3.31Å; L264-A267 PolarHBondContact O-N 3.11Å; A267-R270 PolarHBondContact O-N 3.18Å; A267-K271 PolarHBondContact O-N 3.12Å; A267-K271 VanDerWaalsContact O-N 3.14Å |
| 268 | V | 90.8 | Very high | 85.8 | Confident | 101 Ų | 101 | 96.2 Ų | 96.2 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 175.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | L264 R270 K271 A272 | L264-V268 WeakPolarHBondContact O-CG2 3.12Å; L264-V268 PolarHBondContact O-N 3.33Å; V268-R270 PolarHBondContact O-N 3.46Å; V268-K271 PolarHBondContact O-N 2.97Å; V268-K271 VanDerWaalsContact O-N 3.09Å; V268-A272 PolarHBondContact O-N 2.81Å |
| 269 | R | 91.2 | Very high | 85.4 | Confident | 200 Ų | 200 | 98.3 Ų | 98.3 | 76% | 0.755 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60 | -32 | 176.8 | -74.9 | 176.4 | -176.9 | -173.4 | 2 | 113.5 | S265 K266 | S265-R269 WeakPolarHBondContact O-CB 3.41Å; S265-R269 VanDerWaalsContact O-CG 3.28Å; S265-R269 WeakPolarHBondContact O-CG 3.33Å; S265-R269 PolarHBondContact O-N 3.09Å; K266-R269 PolarHBondContact O-N 3.23Å |
| 270 | R | 87 | Confident | 85 | Confident | 176 Ų | 176 | 100.6 Ų | 100.6 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.7 | -32.2 | 175.8 | -75.5 | 174.8 | 175.6 | -179.8 | -1.1 | 113.1 | K266 A267 V268 | K266-R270 WeakPolarHBondContact O-CG 3.26Å; K266-R270 PolarHBondContact O-N 3.24Å; K266-R270 VanDerWaalsContact O-N 3.1Å; A267-R270 PolarHBondContact O-N 3.18Å; V268-R270 PolarHBondContact O-N 3.46Å |
| 271 | K | 84.5 | Confident | 84.5 | Confident | 126 Ų | 126 | 106.4 Ų | 106.4 | 55% | 0.548 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -79.6 | -22.1 | 176.3 | -72.9 | -177.6 | 171.9 | 176.5 | 0 | 112.3 | D171 A267 V268 | D171-K271 VanDerWaalsContact CG-NZ 3.29Å; D171-K271 PolarHBondContact O-NZ 2.97Å; D171-K271 WeakPolarHBondContact OD1-CE 3.49Å; D171-K271 IonicContact OD1-NZ 2.64Å; D171-K271 PolarHBondContact OD1-NZ 2.91Å; D171-K271 IonicContact OD2-NZ 3.53Å; A267-K271 PolarHBondContact O-N 3.12Å; A267-K271 VanDerWaalsContact O-N 3.14Å; V268-K271 PolarHBondContact O-N 2.97Å; V268-K271 VanDerWaalsContact O-N 3.09Å |
| 272 | A | 84.3 | Confident | 83.9 | Confident | 53 Ų | 53 | 107.4 Ų | 107.4 | 44% | 0.438 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -62.6 | 136.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V268 | V268-A272 PolarHBondContact O-N 2.81Š|
| 273 | P | 76.7 | Confident | 83.2 | Confident | 111 Ų | 111 | 107.1 Ų | 107.1 | 72% | 0.721 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 149.5 | 173.2 | 26.1 | -32.7 | 0 | 0 | 0 | 110 | S275 | P273-S275 PolarHBondContact O-N 2.76Š|
| 274 | P | 76.9 | Confident | 82.5 | Confident | 118 Ų | 118 | 113.8 Ų | 113.8 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 134.4 | 170.4 | 25.2 | -31.8 | 0 | 0 | 0 | 108.6 | E276 | P274-E276 PolarHBondContact O-N 3.43Å; P274-E276 VanDerWaalsContact O-N 3.14Å |
| 275 | S | 74.7 | Confident | 81.7 | Confident | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 120 | 175.2 | 51.5 | 0 | 0 | 0 | 0 | 108.6 | P273 S277 | P273-S275 PolarHBondContact O-N 2.76Å; S275-S277 PolarHBondContact O-N 3.34Å |
| 276 | E | 63.8 | Low | 80.7 | Confident | 203 Ų | 203 | 126.4 Ų | 126.4 | 95% | 0.949 | 68% | 0.679 | S | S | * | * | trans | -58 | 112.8 | 171.1 | -67.9 | -177.1 | 164.7 | 0 | 0 | 108 | P274 | P274-E276 PolarHBondContact O-N 3.43Å; P274-E276 VanDerWaalsContact O-N 3.14Å | ||
| 277 | S | 55.8 | Low | 79.7 | Confident | 185 Ų | 185 | 126.9 Ų | 126.9 | 100% | 1.294 | 69% | 0.693 | S | S | * | * | trans | -106.8 | 0 | 176.4 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | S275 | S275-S277 PolarHBondContact O-N 3.34Š|
Retrieved 277 of 277 residues in 219.1 ms
(Link to these results)